USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN : amide:sc= 0.0881 K(o=0.18,f=-0.84) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -134:sc= 0.0921 (180deg=0) USER MOD Set 2.1: A 4 THR OG1 : rot 91:sc= 1.05 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.223 K(o=0.82,f=-4.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.035 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00163) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00625 K(o=-0.0062,f=-1.6!) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.05) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0269) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.557 (180deg=0.212) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0342 (180deg=-0.239) USER MOD Single : A 24 MET CE :methyl 177:sc= -1.71 (180deg=-1.76) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -172:sc= -0.265 (180deg=-0.492) USER MOD Single : A 28 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.049) USER MOD Single : A 34 GLN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.518 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0316) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.614 F(o=-2.1!,f=-0.61) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.469 K(o=0.47,f=-1.5!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.988 2.241 -1.366 1.00 0.00 N ATOM 2 CA MET A 1 0.080 2.472 -2.369 1.00 0.00 C ATOM 3 C MET A 1 1.164 3.384 -1.781 1.00 0.00 C ATOM 4 O MET A 1 0.864 4.299 -1.004 1.00 0.00 O ATOM 5 CB MET A 1 -0.507 3.100 -3.668 1.00 0.00 C ATOM 6 CG MET A 1 0.536 3.406 -4.760 1.00 0.00 C ATOM 7 SD MET A 1 -0.153 4.209 -6.225 1.00 0.00 S ATOM 8 CE MET A 1 1.329 4.465 -7.214 1.00 0.00 C ATOM 0 H1 MET A 1 -1.917 2.277 -1.833 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.857 1.307 -0.928 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.941 2.977 -0.633 1.00 0.00 H new ATOM 0 HA MET A 1 0.525 1.511 -2.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.255 2.421 -4.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.023 4.024 -3.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.312 4.045 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.017 2.475 -5.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.061 4.953 -8.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.029 5.094 -6.664 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.795 3.503 -7.426 1.00 0.00 H new ATOM 18 N SER A 2 2.424 3.125 -2.169 1.00 0.00 N ATOM 19 CA SER A 2 3.590 3.927 -1.772 1.00 0.00 C ATOM 20 C SER A 2 3.579 5.312 -2.455 1.00 0.00 C ATOM 21 O SER A 2 2.838 5.532 -3.431 1.00 0.00 O ATOM 22 CB SER A 2 4.884 3.161 -2.140 1.00 0.00 C ATOM 23 OG SER A 2 4.906 2.808 -3.514 1.00 0.00 O ATOM 0 H SER A 2 2.663 2.341 -2.776 1.00 0.00 H new ATOM 0 HA SER A 2 3.550 4.090 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.752 3.778 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.961 2.261 -1.531 1.00 0.00 H new ATOM 0 HG SER A 2 5.736 2.327 -3.715 1.00 0.00 H new ATOM 29 N LYS A 3 4.391 6.244 -1.923 1.00 0.00 N ATOM 30 CA LYS A 3 4.615 7.552 -2.551 1.00 0.00 C ATOM 31 C LYS A 3 5.391 7.370 -3.866 1.00 0.00 C ATOM 32 O LYS A 3 6.390 6.641 -3.914 1.00 0.00 O ATOM 33 CB LYS A 3 5.351 8.520 -1.582 1.00 0.00 C ATOM 34 CG LYS A 3 4.470 9.058 -0.428 1.00 0.00 C ATOM 35 CD LYS A 3 3.294 9.916 -0.947 1.00 0.00 C ATOM 36 CE LYS A 3 2.435 10.512 0.179 1.00 0.00 C ATOM 37 NZ LYS A 3 1.745 9.468 0.978 1.00 0.00 N ATOM 0 H LYS A 3 4.905 6.110 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 3 3.650 8.004 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.212 8.004 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.736 9.364 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.080 8.221 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.083 9.654 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.687 10.725 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.663 9.304 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.066 11.110 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.694 11.186 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.165 9.920 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.134 8.902 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.452 8.850 1.426 1.00 0.00 H new ATOM 51 N THR A 4 4.884 8.016 -4.922 1.00 0.00 N ATOM 52 CA THR A 4 5.388 7.881 -6.286 1.00 0.00 C ATOM 53 C THR A 4 6.841 8.397 -6.409 1.00 0.00 C ATOM 54 O THR A 4 7.074 9.604 -6.461 1.00 0.00 O ATOM 55 CB THR A 4 4.425 8.625 -7.269 1.00 0.00 C ATOM 56 OG1 THR A 4 4.198 9.976 -6.808 1.00 0.00 O ATOM 57 CG2 THR A 4 3.070 7.902 -7.391 1.00 0.00 C ATOM 0 H THR A 4 4.096 8.659 -4.847 1.00 0.00 H new ATOM 0 HA THR A 4 5.413 6.824 -6.551 1.00 0.00 H new ATOM 0 HB THR A 4 4.901 8.637 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.868 10.573 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.427 8.448 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.230 6.891 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.593 7.855 -6.412 1.00 0.00 H new ATOM 65 N ALA A 5 7.800 7.449 -6.369 1.00 0.00 N ATOM 66 CA ALA A 5 9.251 7.708 -6.469 1.00 0.00 C ATOM 67 C ALA A 5 9.745 8.799 -5.482 1.00 0.00 C ATOM 68 O ALA A 5 9.930 8.517 -4.293 1.00 0.00 O ATOM 69 CB ALA A 5 9.667 7.999 -7.922 1.00 0.00 C ATOM 0 H ALA A 5 7.581 6.458 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 5 9.754 6.791 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.740 8.186 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.424 7.141 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.132 8.877 -8.285 1.00 0.00 H new ATOM 75 N LYS A 6 9.898 10.053 -5.972 1.00 0.00 N ATOM 76 CA LYS A 6 10.505 11.159 -5.198 1.00 0.00 C ATOM 77 C LYS A 6 9.577 12.393 -5.194 1.00 0.00 C ATOM 78 O LYS A 6 8.969 12.701 -4.155 1.00 0.00 O ATOM 79 CB LYS A 6 11.904 11.529 -5.788 1.00 0.00 C ATOM 80 CG LYS A 6 13.004 10.428 -5.725 1.00 0.00 C ATOM 81 CD LYS A 6 13.664 10.250 -4.321 1.00 0.00 C ATOM 82 CE LYS A 6 12.826 9.438 -3.311 1.00 0.00 C ATOM 83 NZ LYS A 6 13.462 9.371 -1.973 1.00 0.00 N ATOM 0 H LYS A 6 9.605 10.324 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 6 10.638 10.828 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.768 11.815 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.273 12.409 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.566 9.477 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.782 10.668 -6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.629 9.760 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.860 11.236 -3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.838 9.888 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.681 8.427 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.862 8.816 -1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.394 8.918 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.577 10.333 -1.595 1.00 0.00 H new ATOM 97 N LEU A 7 9.474 13.056 -6.376 1.00 0.00 N ATOM 98 CA LEU A 7 8.729 14.330 -6.576 1.00 0.00 C ATOM 99 C LEU A 7 9.450 15.486 -5.838 1.00 0.00 C ATOM 100 O LEU A 7 9.400 15.585 -4.608 1.00 0.00 O ATOM 101 CB LEU A 7 7.229 14.191 -6.154 1.00 0.00 C ATOM 102 CG LEU A 7 6.216 15.254 -6.714 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.781 14.712 -6.632 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.311 16.626 -5.996 1.00 0.00 C ATOM 0 H LEU A 7 9.913 12.715 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 7 8.721 14.569 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.884 13.203 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.182 14.222 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 7 6.488 15.427 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.088 15.457 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.703 13.799 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.533 14.495 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.586 17.315 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.099 16.497 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.315 17.032 -6.119 1.00 0.00 H new ATOM 116 N ASN A 8 10.119 16.353 -6.616 1.00 0.00 N ATOM 117 CA ASN A 8 10.943 17.466 -6.095 1.00 0.00 C ATOM 118 C ASN A 8 10.657 18.747 -6.900 1.00 0.00 C ATOM 119 O ASN A 8 10.476 19.832 -6.329 1.00 0.00 O ATOM 120 CB ASN A 8 12.456 17.115 -6.181 1.00 0.00 C ATOM 121 CG ASN A 8 12.822 15.810 -5.463 1.00 0.00 C ATOM 122 OD1 ASN A 8 12.861 14.743 -6.080 1.00 0.00 O ATOM 123 ND2 ASN A 8 13.058 15.875 -4.159 1.00 0.00 N ATOM 0 H ASN A 8 10.105 16.304 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 8 10.684 17.630 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.744 17.037 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.036 17.932 -5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.279 15.027 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.018 16.773 -3.678 1.00 0.00 H new ATOM 130 N ASN A 9 10.619 18.603 -8.240 1.00 0.00 N ATOM 131 CA ASN A 9 10.349 19.716 -9.182 1.00 0.00 C ATOM 132 C ASN A 9 8.824 19.883 -9.332 1.00 0.00 C ATOM 133 O ASN A 9 8.291 19.766 -10.438 1.00 0.00 O ATOM 134 CB ASN A 9 11.007 19.429 -10.574 1.00 0.00 C ATOM 135 CG ASN A 9 12.496 19.082 -10.504 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.356 19.958 -10.533 1.00 0.00 O ATOM 137 ND2 ASN A 9 12.812 17.793 -10.438 1.00 0.00 N ATOM 0 H ASN A 9 10.775 17.708 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 9 10.781 20.637 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.476 18.606 -11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.879 20.304 -11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.791 17.509 -10.410 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.075 17.088 -10.415 1.00 0.00 H new ATOM 144 N GLU A 10 8.145 20.172 -8.199 1.00 0.00 N ATOM 145 CA GLU A 10 6.663 20.141 -8.080 1.00 0.00 C ATOM 146 C GLU A 10 5.969 20.934 -9.200 1.00 0.00 C ATOM 147 O GLU A 10 5.023 20.438 -9.807 1.00 0.00 O ATOM 148 CB GLU A 10 6.220 20.708 -6.705 1.00 0.00 C ATOM 149 CG GLU A 10 4.695 20.677 -6.456 1.00 0.00 C ATOM 150 CD GLU A 10 4.282 21.383 -5.162 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.045 22.609 -5.190 1.00 0.00 O ATOM 152 OE2 GLU A 10 4.207 20.723 -4.107 1.00 0.00 O ATOM 0 H GLU A 10 8.612 20.436 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 10 6.362 19.097 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.715 20.141 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.567 21.738 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.186 21.147 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.360 19.640 -6.420 1.00 0.00 H new ATOM 159 N GLU A 11 6.495 22.142 -9.480 1.00 0.00 N ATOM 160 CA GLU A 11 5.928 23.088 -10.468 1.00 0.00 C ATOM 161 C GLU A 11 5.781 22.458 -11.867 1.00 0.00 C ATOM 162 O GLU A 11 4.808 22.727 -12.561 1.00 0.00 O ATOM 163 CB GLU A 11 6.790 24.374 -10.532 1.00 0.00 C ATOM 164 CG GLU A 11 6.814 25.160 -9.210 1.00 0.00 C ATOM 165 CD GLU A 11 7.729 26.392 -9.252 1.00 0.00 C ATOM 166 OE1 GLU A 11 8.943 26.252 -8.981 1.00 0.00 O ATOM 167 OE2 GLU A 11 7.243 27.500 -9.563 1.00 0.00 O ATOM 0 H GLU A 11 7.336 22.495 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 11 4.924 23.347 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.811 24.105 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.408 25.019 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.800 25.477 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.143 24.499 -8.408 1.00 0.00 H new ATOM 174 N LYS A 12 6.739 21.597 -12.241 1.00 0.00 N ATOM 175 CA LYS A 12 6.720 20.851 -13.524 1.00 0.00 C ATOM 176 C LYS A 12 5.510 19.901 -13.591 1.00 0.00 C ATOM 177 O LYS A 12 4.817 19.803 -14.621 1.00 0.00 O ATOM 178 CB LYS A 12 8.041 20.046 -13.694 1.00 0.00 C ATOM 179 CG LYS A 12 9.317 20.914 -13.806 1.00 0.00 C ATOM 180 CD LYS A 12 9.293 21.823 -15.054 1.00 0.00 C ATOM 181 CE LYS A 12 9.384 21.053 -16.387 1.00 0.00 C ATOM 182 NZ LYS A 12 10.717 20.443 -16.599 1.00 0.00 N ATOM 0 H LYS A 12 7.555 21.392 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 12 6.633 21.572 -14.337 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.151 19.371 -12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.960 19.426 -14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.416 21.529 -12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.193 20.267 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.375 22.410 -15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.123 22.528 -14.995 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.624 20.272 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.163 21.732 -17.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.766 20.040 -17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.453 21.170 -16.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.870 19.690 -15.898 1.00 0.00 H new ATOM 196 N LEU A 13 5.262 19.218 -12.468 1.00 0.00 N ATOM 197 CA LEU A 13 4.143 18.283 -12.329 1.00 0.00 C ATOM 198 C LEU A 13 2.803 19.040 -12.278 1.00 0.00 C ATOM 199 O LEU A 13 1.790 18.549 -12.780 1.00 0.00 O ATOM 200 CB LEU A 13 4.320 17.394 -11.078 1.00 0.00 C ATOM 201 CG LEU A 13 5.520 16.388 -11.121 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.852 17.012 -10.669 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.215 15.121 -10.322 1.00 0.00 C ATOM 0 H LEU A 13 5.835 19.299 -11.628 1.00 0.00 H new ATOM 0 HA LEU A 13 4.133 17.634 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.444 18.041 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.401 16.828 -10.925 1.00 0.00 H new ATOM 0 HG LEU A 13 5.644 16.116 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.642 16.262 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.101 17.849 -11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.758 17.367 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.068 14.445 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.022 15.384 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.337 14.629 -10.741 1.00 0.00 H new ATOM 215 N VAL A 14 2.817 20.240 -11.672 1.00 0.00 N ATOM 216 CA VAL A 14 1.650 21.138 -11.638 1.00 0.00 C ATOM 217 C VAL A 14 1.241 21.511 -13.075 1.00 0.00 C ATOM 218 O VAL A 14 0.070 21.387 -13.429 1.00 0.00 O ATOM 219 CB VAL A 14 1.935 22.431 -10.789 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.738 23.424 -10.811 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.311 22.048 -9.342 1.00 0.00 C ATOM 0 H VAL A 14 3.636 20.614 -11.193 1.00 0.00 H new ATOM 0 HA VAL A 14 0.828 20.610 -11.154 1.00 0.00 H new ATOM 0 HB VAL A 14 2.779 22.946 -11.247 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.982 24.301 -10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.538 23.731 -11.838 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.146 22.937 -10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.506 22.952 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.489 21.497 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.205 21.424 -9.351 1.00 0.00 H new ATOM 231 N LYS A 15 2.246 21.894 -13.903 1.00 0.00 N ATOM 232 CA LYS A 15 2.045 22.242 -15.333 1.00 0.00 C ATOM 233 C LYS A 15 1.417 21.068 -16.093 1.00 0.00 C ATOM 234 O LYS A 15 0.459 21.247 -16.838 1.00 0.00 O ATOM 235 CB LYS A 15 3.388 22.610 -16.022 1.00 0.00 C ATOM 236 CG LYS A 15 4.121 23.794 -15.389 1.00 0.00 C ATOM 237 CD LYS A 15 5.520 24.035 -15.991 1.00 0.00 C ATOM 238 CE LYS A 15 6.341 25.048 -15.178 1.00 0.00 C ATOM 239 NZ LYS A 15 5.635 26.349 -15.008 1.00 0.00 N ATOM 0 H LYS A 15 3.217 21.970 -13.599 1.00 0.00 H new ATOM 0 HA LYS A 15 1.378 23.104 -15.360 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.043 21.739 -16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.194 22.837 -17.070 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.519 24.694 -15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.219 23.622 -14.317 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.060 23.089 -16.039 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.415 24.395 -17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.562 24.628 -14.197 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.296 25.219 -15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.274 27.035 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.341 26.709 -15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.796 26.213 -14.409 1.00 0.00 H new ATOM 253 N LYS A 16 1.970 19.861 -15.865 1.00 0.00 N ATOM 254 CA LYS A 16 1.516 18.635 -16.548 1.00 0.00 C ATOM 255 C LYS A 16 0.106 18.225 -16.078 1.00 0.00 C ATOM 256 O LYS A 16 -0.656 17.627 -16.832 1.00 0.00 O ATOM 257 CB LYS A 16 2.526 17.478 -16.332 1.00 0.00 C ATOM 258 CG LYS A 16 2.304 16.236 -17.238 1.00 0.00 C ATOM 259 CD LYS A 16 2.427 16.571 -18.745 1.00 0.00 C ATOM 260 CE LYS A 16 3.852 17.003 -19.157 1.00 0.00 C ATOM 261 NZ LYS A 16 3.898 17.510 -20.552 1.00 0.00 N ATOM 0 H LYS A 16 2.736 19.709 -15.209 1.00 0.00 H new ATOM 0 HA LYS A 16 1.464 18.848 -17.616 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.533 17.858 -16.503 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.477 17.162 -15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.032 15.467 -16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.316 15.819 -17.041 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.135 15.699 -19.330 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.727 17.369 -18.992 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.206 17.778 -18.478 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.531 16.156 -19.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.674 18.196 -20.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.056 16.716 -21.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.996 17.973 -20.783 1.00 0.00 H new ATOM 275 N ALA A 17 -0.234 18.572 -14.832 1.00 0.00 N ATOM 276 CA ALA A 17 -1.576 18.342 -14.271 1.00 0.00 C ATOM 277 C ALA A 17 -2.579 19.352 -14.854 1.00 0.00 C ATOM 278 O ALA A 17 -3.764 19.050 -14.979 1.00 0.00 O ATOM 279 CB ALA A 17 -1.536 18.418 -12.745 1.00 0.00 C ATOM 0 H ALA A 17 0.411 19.020 -14.182 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.907 17.341 -14.548 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.536 18.246 -12.346 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.856 17.658 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.188 19.405 -12.439 1.00 0.00 H new ATOM 285 N LEU A 18 -2.079 20.553 -15.211 1.00 0.00 N ATOM 286 CA LEU A 18 -2.874 21.576 -15.916 1.00 0.00 C ATOM 287 C LEU A 18 -3.134 21.132 -17.366 1.00 0.00 C ATOM 288 O LEU A 18 -4.204 21.391 -17.920 1.00 0.00 O ATOM 289 CB LEU A 18 -2.165 22.963 -15.919 1.00 0.00 C ATOM 290 CG LEU A 18 -1.807 23.583 -14.534 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.251 25.018 -14.677 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.996 23.518 -13.562 1.00 0.00 C ATOM 0 H LEU A 18 -1.119 20.838 -15.020 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.819 21.681 -15.382 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.245 22.871 -16.496 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.805 23.668 -16.450 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.010 22.978 -14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.013 25.416 -13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.348 24.999 -15.288 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.999 25.652 -15.154 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.710 23.959 -12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.838 24.071 -13.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.285 22.478 -13.409 1.00 0.00 H new ATOM 304 N GLU A 19 -2.126 20.465 -17.964 1.00 0.00 N ATOM 305 CA GLU A 19 -2.202 19.950 -19.339 1.00 0.00 C ATOM 306 C GLU A 19 -3.225 18.803 -19.424 1.00 0.00 C ATOM 307 O GLU A 19 -4.237 18.919 -20.118 1.00 0.00 O ATOM 308 CB GLU A 19 -0.795 19.481 -19.814 1.00 0.00 C ATOM 309 CG GLU A 19 0.247 20.617 -19.935 1.00 0.00 C ATOM 310 CD GLU A 19 1.669 20.117 -20.256 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.866 19.505 -21.331 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.598 20.320 -19.437 1.00 0.00 O ATOM 0 H GLU A 19 -1.237 20.270 -17.503 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.536 20.750 -20.000 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.420 18.732 -19.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.896 18.992 -20.783 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.071 21.309 -20.715 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.270 21.179 -19.001 1.00 0.00 H new ATOM 319 N ILE A 20 -2.967 17.722 -18.669 1.00 0.00 N ATOM 320 CA ILE A 20 -3.801 16.510 -18.677 1.00 0.00 C ATOM 321 C ILE A 20 -5.187 16.813 -18.082 1.00 0.00 C ATOM 322 O ILE A 20 -6.200 16.537 -18.715 1.00 0.00 O ATOM 323 CB ILE A 20 -3.108 15.320 -17.904 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.663 15.050 -18.454 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.967 14.029 -17.952 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.573 14.676 -19.924 1.00 0.00 C ATOM 0 H ILE A 20 -2.171 17.665 -18.034 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.924 16.196 -19.713 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.022 15.621 -16.860 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.059 15.942 -18.288 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.215 14.248 -17.867 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.458 13.233 -17.410 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.936 14.220 -17.491 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.112 13.727 -18.989 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.530 14.513 -20.195 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.142 13.763 -20.103 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.983 15.483 -20.531 1.00 0.00 H new ATOM 338 N GLY A 21 -5.208 17.425 -16.887 1.00 0.00 N ATOM 339 CA GLY A 21 -6.458 17.794 -16.212 1.00 0.00 C ATOM 340 C GLY A 21 -7.277 18.826 -16.990 1.00 0.00 C ATOM 341 O GLY A 21 -8.506 18.807 -16.938 1.00 0.00 O ATOM 0 H GLY A 21 -4.367 17.675 -16.368 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.061 16.899 -16.062 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.227 18.192 -15.224 1.00 0.00 H new ATOM 345 N GLY A 22 -6.580 19.723 -17.723 1.00 0.00 N ATOM 346 CA GLY A 22 -7.234 20.752 -18.542 1.00 0.00 C ATOM 347 C GLY A 22 -7.921 20.183 -19.786 1.00 0.00 C ATOM 348 O GLY A 22 -9.063 20.548 -20.090 1.00 0.00 O ATOM 0 H GLY A 22 -5.561 19.750 -17.760 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.972 21.276 -17.935 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.492 21.489 -18.849 1.00 0.00 H new ATOM 352 N LYS A 23 -7.223 19.270 -20.505 1.00 0.00 N ATOM 353 CA LYS A 23 -7.755 18.656 -21.751 1.00 0.00 C ATOM 354 C LYS A 23 -8.802 17.575 -21.432 1.00 0.00 C ATOM 355 O LYS A 23 -9.716 17.333 -22.224 1.00 0.00 O ATOM 356 CB LYS A 23 -6.613 18.116 -22.673 1.00 0.00 C ATOM 357 CG LYS A 23 -5.693 17.007 -22.095 1.00 0.00 C ATOM 358 CD LYS A 23 -6.253 15.568 -22.203 1.00 0.00 C ATOM 359 CE LYS A 23 -5.275 14.514 -21.670 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.008 14.518 -22.436 1.00 0.00 N ATOM 0 H LYS A 23 -6.293 18.942 -20.246 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.259 19.442 -22.314 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.070 17.733 -23.586 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.985 18.959 -22.960 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.734 17.047 -22.611 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.500 17.227 -21.045 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.189 15.504 -21.648 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.485 15.349 -23.245 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.067 14.708 -20.618 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.734 13.527 -21.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.460 13.664 -22.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.218 14.530 -23.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.454 15.362 -22.187 1.00 0.00 H new ATOM 374 N MET A 24 -8.648 16.915 -20.269 1.00 0.00 N ATOM 375 CA MET A 24 -9.657 15.966 -19.770 1.00 0.00 C ATOM 376 C MET A 24 -10.936 16.726 -19.418 1.00 0.00 C ATOM 377 O MET A 24 -12.015 16.325 -19.832 1.00 0.00 O ATOM 378 CB MET A 24 -9.157 15.155 -18.549 1.00 0.00 C ATOM 379 CG MET A 24 -8.131 14.058 -18.866 1.00 0.00 C ATOM 380 SD MET A 24 -7.893 12.908 -17.491 1.00 0.00 S ATOM 381 CE MET A 24 -7.827 14.005 -16.073 1.00 0.00 C ATOM 0 H MET A 24 -7.837 17.022 -19.660 1.00 0.00 H new ATOM 0 HA MET A 24 -9.857 15.245 -20.563 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.715 15.846 -17.831 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.017 14.695 -18.062 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.458 13.504 -19.746 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.176 14.520 -19.117 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.737 13.415 -15.161 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.965 14.666 -16.164 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.739 14.601 -16.031 1.00 0.00 H new ATOM 391 N ALA A 25 -10.778 17.853 -18.682 1.00 0.00 N ATOM 392 CA ALA A 25 -11.888 18.764 -18.340 1.00 0.00 C ATOM 393 C ALA A 25 -12.627 19.200 -19.607 1.00 0.00 C ATOM 394 O ALA A 25 -13.854 19.116 -19.674 1.00 0.00 O ATOM 395 CB ALA A 25 -11.377 19.987 -17.558 1.00 0.00 C ATOM 0 H ALA A 25 -9.876 18.152 -18.311 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.587 18.226 -17.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.215 20.642 -17.319 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.900 19.656 -16.635 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.653 20.531 -18.165 1.00 0.00 H new ATOM 401 N LYS A 26 -11.840 19.606 -20.615 1.00 0.00 N ATOM 402 CA LYS A 26 -12.324 19.978 -21.954 1.00 0.00 C ATOM 403 C LYS A 26 -13.309 18.919 -22.499 1.00 0.00 C ATOM 404 O LYS A 26 -14.502 19.216 -22.662 1.00 0.00 O ATOM 405 CB LYS A 26 -11.100 20.151 -22.895 1.00 0.00 C ATOM 406 CG LYS A 26 -11.408 20.537 -24.359 1.00 0.00 C ATOM 407 CD LYS A 26 -10.141 20.544 -25.254 1.00 0.00 C ATOM 408 CE LYS A 26 -9.035 21.489 -24.747 1.00 0.00 C ATOM 409 NZ LYS A 26 -7.846 21.466 -25.635 1.00 0.00 N ATOM 0 H LYS A 26 -10.828 19.687 -20.520 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.870 20.920 -21.899 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.448 20.914 -22.470 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.537 19.217 -22.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.135 19.836 -24.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.869 21.524 -24.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.743 19.531 -25.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.422 20.837 -26.266 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.424 22.505 -24.686 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.742 21.198 -23.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.122 22.114 -25.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.460 20.501 -25.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.121 21.767 -26.592 1.00 0.00 H new ATOM 423 N MET A 27 -12.796 17.669 -22.623 1.00 0.00 N ATOM 424 CA MET A 27 -13.534 16.506 -23.181 1.00 0.00 C ATOM 425 C MET A 27 -14.745 16.096 -22.316 1.00 0.00 C ATOM 426 O MET A 27 -15.723 15.535 -22.833 1.00 0.00 O ATOM 427 CB MET A 27 -12.577 15.291 -23.318 1.00 0.00 C ATOM 428 CG MET A 27 -11.430 15.486 -24.327 1.00 0.00 C ATOM 429 SD MET A 27 -10.386 14.013 -24.519 1.00 0.00 S ATOM 430 CE MET A 27 -9.602 13.888 -22.916 1.00 0.00 C ATOM 0 H MET A 27 -11.846 17.437 -22.335 1.00 0.00 H new ATOM 0 HA MET A 27 -13.912 16.812 -24.157 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.149 15.071 -22.340 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.159 14.419 -23.615 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.850 15.755 -25.296 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.810 16.323 -24.005 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.834 13.115 -22.946 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.146 14.844 -22.659 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.348 13.628 -22.165 1.00 0.00 H new ATOM 440 N GLN A 28 -14.656 16.337 -20.997 1.00 0.00 N ATOM 441 CA GLN A 28 -15.763 16.090 -20.055 1.00 0.00 C ATOM 442 C GLN A 28 -16.879 17.128 -20.285 1.00 0.00 C ATOM 443 O GLN A 28 -18.057 16.850 -20.063 1.00 0.00 O ATOM 444 CB GLN A 28 -15.255 16.126 -18.582 1.00 0.00 C ATOM 445 CG GLN A 28 -14.277 14.995 -18.198 1.00 0.00 C ATOM 446 CD GLN A 28 -14.886 13.597 -18.280 1.00 0.00 C ATOM 447 OE1 GLN A 28 -14.854 12.942 -19.326 1.00 0.00 O ATOM 448 NE2 GLN A 28 -15.467 13.134 -17.184 1.00 0.00 N ATOM 0 H GLN A 28 -13.816 16.708 -20.553 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.169 15.095 -20.236 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.765 17.084 -18.406 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.117 16.082 -17.916 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.408 15.041 -18.854 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.919 15.166 -17.183 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.477 13.699 -16.335 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.904 12.213 -17.189 1.00 0.00 H new ATOM 457 N GLY A 29 -16.472 18.321 -20.749 1.00 0.00 N ATOM 458 CA GLY A 29 -17.394 19.395 -21.124 1.00 0.00 C ATOM 459 C GLY A 29 -17.135 20.653 -20.331 1.00 0.00 C ATOM 460 O GLY A 29 -18.071 21.281 -19.826 1.00 0.00 O ATOM 0 H GLY A 29 -15.489 18.564 -20.873 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.292 19.608 -22.188 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.421 19.067 -20.962 1.00 0.00 H new ATOM 464 N PHE A 30 -15.851 21.032 -20.224 1.00 0.00 N ATOM 465 CA PHE A 30 -15.430 22.198 -19.396 1.00 0.00 C ATOM 466 C PHE A 30 -14.498 23.106 -20.193 1.00 0.00 C ATOM 467 O PHE A 30 -13.851 22.674 -21.143 1.00 0.00 O ATOM 468 CB PHE A 30 -14.705 21.762 -18.086 1.00 0.00 C ATOM 469 CG PHE A 30 -15.555 21.005 -17.064 1.00 0.00 C ATOM 470 CD1 PHE A 30 -15.686 19.616 -17.108 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.217 21.688 -16.041 1.00 0.00 C ATOM 472 CE1 PHE A 30 -16.446 18.940 -16.173 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.976 21.012 -15.107 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.092 19.641 -15.172 1.00 0.00 C ATOM 0 H PHE A 30 -15.081 20.556 -20.695 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.340 22.733 -19.123 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.856 21.135 -18.357 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.303 22.653 -17.604 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.185 19.060 -17.886 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -16.134 22.763 -15.980 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -16.535 17.865 -16.224 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.480 21.559 -14.324 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.687 19.114 -14.441 1.00 0.00 H new ATOM 484 N ASP A 31 -14.429 24.370 -19.766 1.00 0.00 N ATOM 485 CA ASP A 31 -13.465 25.352 -20.274 1.00 0.00 C ATOM 486 C ASP A 31 -12.924 26.152 -19.075 1.00 0.00 C ATOM 487 O ASP A 31 -13.559 27.094 -18.585 1.00 0.00 O ATOM 488 CB ASP A 31 -14.103 26.261 -21.381 1.00 0.00 C ATOM 489 CG ASP A 31 -15.378 27.010 -20.946 1.00 0.00 C ATOM 490 OD1 ASP A 31 -16.450 26.380 -20.868 1.00 0.00 O ATOM 491 OD2 ASP A 31 -15.312 28.232 -20.678 1.00 0.00 O ATOM 0 H ASP A 31 -15.049 24.746 -19.048 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.631 24.849 -20.764 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.361 26.992 -21.703 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.339 25.643 -22.247 1.00 0.00 H new ATOM 496 N LEU A 32 -11.775 25.703 -18.551 1.00 0.00 N ATOM 497 CA LEU A 32 -11.131 26.323 -17.386 1.00 0.00 C ATOM 498 C LEU A 32 -10.398 27.615 -17.822 1.00 0.00 C ATOM 499 O LEU A 32 -9.876 27.662 -18.943 1.00 0.00 O ATOM 500 CB LEU A 32 -10.163 25.304 -16.719 1.00 0.00 C ATOM 501 CG LEU A 32 -10.802 23.930 -16.305 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.758 22.993 -15.656 1.00 0.00 C ATOM 503 CD2 LEU A 32 -12.042 24.126 -15.389 1.00 0.00 C ATOM 0 H LEU A 32 -11.267 24.901 -18.923 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.883 26.601 -16.647 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.340 25.109 -17.406 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.733 25.767 -15.830 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.150 23.447 -17.218 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.234 22.052 -15.382 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.953 22.799 -16.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.350 23.466 -14.763 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.456 23.153 -15.124 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.745 24.653 -14.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.796 24.709 -15.917 1.00 0.00 H new ATOM 515 N PRO A 33 -10.395 28.703 -16.975 1.00 0.00 N ATOM 516 CA PRO A 33 -9.699 29.975 -17.307 1.00 0.00 C ATOM 517 C PRO A 33 -8.170 29.774 -17.487 1.00 0.00 C ATOM 518 O PRO A 33 -7.431 29.625 -16.515 1.00 0.00 O ATOM 519 CB PRO A 33 -10.055 30.916 -16.119 1.00 0.00 C ATOM 520 CG PRO A 33 -10.460 29.999 -15.001 1.00 0.00 C ATOM 521 CD PRO A 33 -11.098 28.798 -15.665 1.00 0.00 C ATOM 0 HA PRO A 33 -10.016 30.392 -18.263 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.202 31.532 -15.834 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.865 31.596 -16.384 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.597 29.704 -14.405 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.160 30.491 -14.326 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.963 27.894 -15.072 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.171 28.936 -15.796 1.00 0.00 H new ATOM 529 N GLN A 34 -7.731 29.745 -18.762 1.00 0.00 N ATOM 530 CA GLN A 34 -6.348 29.388 -19.150 1.00 0.00 C ATOM 531 C GLN A 34 -5.399 30.602 -19.066 1.00 0.00 C ATOM 532 O GLN A 34 -4.304 30.519 -18.494 1.00 0.00 O ATOM 533 CB GLN A 34 -6.334 28.801 -20.590 1.00 0.00 C ATOM 534 CG GLN A 34 -7.191 27.531 -20.788 1.00 0.00 C ATOM 535 CD GLN A 34 -6.670 26.307 -20.030 1.00 0.00 C ATOM 536 OE1 GLN A 34 -7.037 26.059 -18.875 1.00 0.00 O ATOM 537 NE2 GLN A 34 -5.804 25.531 -20.673 1.00 0.00 N ATOM 0 H GLN A 34 -8.329 29.970 -19.557 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.989 28.637 -18.446 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.683 29.568 -21.282 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.304 28.571 -20.862 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.211 27.739 -20.465 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.235 27.296 -21.851 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.521 25.763 -21.625 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.422 24.704 -20.214 1.00 0.00 H new ATOM 546 N SER A 35 -5.867 31.731 -19.616 1.00 0.00 N ATOM 547 CA SER A 35 -5.054 32.949 -19.821 1.00 0.00 C ATOM 548 C SER A 35 -4.422 33.553 -18.522 1.00 0.00 C ATOM 549 O SER A 35 -3.266 33.995 -18.592 1.00 0.00 O ATOM 550 CB SER A 35 -5.896 34.004 -20.563 1.00 0.00 C ATOM 551 OG SER A 35 -6.395 33.485 -21.791 1.00 0.00 O ATOM 0 H SER A 35 -6.830 31.830 -19.936 1.00 0.00 H new ATOM 0 HA SER A 35 -4.198 32.644 -20.422 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.727 34.320 -19.933 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.289 34.888 -20.757 1.00 0.00 H new ATOM 0 HG SER A 35 -6.928 34.172 -22.244 1.00 0.00 H new ATOM 557 N PRO A 36 -5.126 33.624 -17.322 1.00 0.00 N ATOM 558 CA PRO A 36 -4.499 34.175 -16.090 1.00 0.00 C ATOM 559 C PRO A 36 -3.270 33.371 -15.611 1.00 0.00 C ATOM 560 O PRO A 36 -2.243 33.975 -15.297 1.00 0.00 O ATOM 561 CB PRO A 36 -5.640 34.149 -15.040 1.00 0.00 C ATOM 562 CG PRO A 36 -6.897 34.088 -15.858 1.00 0.00 C ATOM 563 CD PRO A 36 -6.546 33.247 -17.059 1.00 0.00 C ATOM 0 HA PRO A 36 -4.101 35.174 -16.265 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.553 33.286 -14.380 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.619 35.037 -14.408 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.715 33.643 -15.291 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.221 35.085 -16.156 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.650 32.182 -16.852 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.188 33.470 -17.911 1.00 0.00 H new ATOM 571 N GLN A 37 -3.431 32.014 -15.552 1.00 0.00 N ATOM 572 CA GLN A 37 -2.419 30.984 -15.102 1.00 0.00 C ATOM 573 C GLN A 37 -2.678 30.417 -13.654 1.00 0.00 C ATOM 574 O GLN A 37 -2.909 29.206 -13.538 1.00 0.00 O ATOM 575 CB GLN A 37 -0.905 31.363 -15.293 1.00 0.00 C ATOM 576 CG GLN A 37 -0.459 31.566 -16.763 1.00 0.00 C ATOM 577 CD GLN A 37 1.028 31.928 -16.917 1.00 0.00 C ATOM 578 OE1 GLN A 37 1.874 31.515 -16.124 1.00 0.00 O ATOM 579 NE2 GLN A 37 1.361 32.704 -17.944 1.00 0.00 N ATOM 0 H GLN A 37 -4.311 31.579 -15.829 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.604 30.181 -15.815 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.703 32.279 -14.738 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.291 30.580 -14.848 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.661 30.653 -17.323 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.063 32.355 -17.211 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.642 33.034 -18.588 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.335 32.969 -18.088 1.00 0.00 H new ATOM 588 N PRO A 38 -2.658 31.225 -12.517 1.00 0.00 N ATOM 589 CA PRO A 38 -2.775 30.647 -11.133 1.00 0.00 C ATOM 590 C PRO A 38 -4.180 30.071 -10.844 1.00 0.00 C ATOM 591 O PRO A 38 -4.342 29.157 -10.021 1.00 0.00 O ATOM 592 CB PRO A 38 -2.444 31.854 -10.221 1.00 0.00 C ATOM 593 CG PRO A 38 -2.886 33.047 -11.017 1.00 0.00 C ATOM 594 CD PRO A 38 -2.535 32.714 -12.451 1.00 0.00 C ATOM 0 HA PRO A 38 -2.111 29.797 -10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.973 31.792 -9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.379 31.900 -9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.956 33.223 -10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.377 33.952 -10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.213 33.202 -13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.526 33.043 -12.702 1.00 0.00 H new ATOM 602 N VAL A 39 -5.176 30.610 -11.559 1.00 0.00 N ATOM 603 CA VAL A 39 -6.579 30.182 -11.460 1.00 0.00 C ATOM 604 C VAL A 39 -6.770 28.764 -12.035 1.00 0.00 C ATOM 605 O VAL A 39 -7.668 28.037 -11.597 1.00 0.00 O ATOM 606 CB VAL A 39 -7.519 31.189 -12.205 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.412 32.608 -11.597 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.209 31.208 -13.715 1.00 0.00 C ATOM 0 H VAL A 39 -5.029 31.364 -12.230 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.845 30.165 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.547 30.851 -12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.076 33.285 -12.135 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.700 32.576 -10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.385 32.964 -11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.873 31.914 -14.214 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.174 31.512 -13.870 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.361 30.212 -14.130 1.00 0.00 H new ATOM 618 N ARG A 40 -5.907 28.390 -13.020 1.00 0.00 N ATOM 619 CA ARG A 40 -5.953 27.063 -13.673 1.00 0.00 C ATOM 620 C ARG A 40 -5.730 25.965 -12.639 1.00 0.00 C ATOM 621 O ARG A 40 -6.399 24.950 -12.656 1.00 0.00 O ATOM 622 CB ARG A 40 -4.859 26.892 -14.759 1.00 0.00 C ATOM 623 CG ARG A 40 -4.875 27.912 -15.904 1.00 0.00 C ATOM 624 CD ARG A 40 -3.932 27.497 -17.043 1.00 0.00 C ATOM 625 NE ARG A 40 -4.351 26.203 -17.613 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.557 25.308 -18.209 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.276 25.558 -18.425 1.00 0.00 N ATOM 628 NH2 ARG A 40 -4.075 24.155 -18.603 1.00 0.00 N ATOM 0 H ARG A 40 -5.169 28.997 -13.376 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.935 26.989 -14.140 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.884 26.938 -14.273 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.955 25.894 -15.188 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.890 28.012 -16.289 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.580 28.890 -15.525 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.932 28.261 -17.820 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.911 27.423 -16.669 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.341 25.969 -17.546 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.874 26.450 -18.135 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.690 24.859 -18.882 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.065 23.962 -18.450 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.484 23.460 -19.060 1.00 0.00 H new ATOM 642 N VAL A 41 -4.760 26.219 -11.752 1.00 0.00 N ATOM 643 CA VAL A 41 -4.302 25.267 -10.735 1.00 0.00 C ATOM 644 C VAL A 41 -5.477 24.833 -9.824 1.00 0.00 C ATOM 645 O VAL A 41 -5.761 23.632 -9.675 1.00 0.00 O ATOM 646 CB VAL A 41 -3.110 25.902 -9.916 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.580 24.954 -8.824 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.964 26.341 -10.868 1.00 0.00 C ATOM 0 H VAL A 41 -4.263 27.109 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.931 24.364 -11.219 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.503 26.784 -9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.762 25.436 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.383 24.720 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.220 24.034 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.153 26.776 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.593 25.474 -11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.341 27.082 -11.574 1.00 0.00 H new ATOM 658 N LYS A 42 -6.199 25.830 -9.294 1.00 0.00 N ATOM 659 CA LYS A 42 -7.360 25.607 -8.404 1.00 0.00 C ATOM 660 C LYS A 42 -8.548 25.009 -9.206 1.00 0.00 C ATOM 661 O LYS A 42 -9.297 24.173 -8.687 1.00 0.00 O ATOM 662 CB LYS A 42 -7.731 26.950 -7.685 1.00 0.00 C ATOM 663 CG LYS A 42 -8.537 26.823 -6.355 1.00 0.00 C ATOM 664 CD LYS A 42 -10.035 26.477 -6.547 1.00 0.00 C ATOM 665 CE LYS A 42 -10.797 27.527 -7.385 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.905 28.833 -6.693 1.00 0.00 N ATOM 0 H LYS A 42 -5.999 26.815 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.106 24.879 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.809 27.492 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.309 27.561 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.075 26.054 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.461 27.762 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.118 25.504 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.509 26.387 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.288 27.665 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.796 27.154 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.424 29.503 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.414 28.709 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.953 29.205 -6.503 1.00 0.00 H new ATOM 680 N ALA A 43 -8.696 25.435 -10.471 1.00 0.00 N ATOM 681 CA ALA A 43 -9.779 24.964 -11.370 1.00 0.00 C ATOM 682 C ALA A 43 -9.638 23.460 -11.701 1.00 0.00 C ATOM 683 O ALA A 43 -10.627 22.709 -11.684 1.00 0.00 O ATOM 684 CB ALA A 43 -9.791 25.802 -12.658 1.00 0.00 C ATOM 0 H ALA A 43 -8.072 26.115 -10.905 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.728 25.092 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.588 25.451 -13.313 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.961 26.849 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.832 25.701 -13.167 1.00 0.00 H new ATOM 690 N VAL A 44 -8.394 23.041 -11.992 1.00 0.00 N ATOM 691 CA VAL A 44 -8.048 21.636 -12.290 1.00 0.00 C ATOM 692 C VAL A 44 -8.254 20.781 -11.036 1.00 0.00 C ATOM 693 O VAL A 44 -8.773 19.675 -11.126 1.00 0.00 O ATOM 694 CB VAL A 44 -6.567 21.488 -12.827 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.145 20.004 -12.969 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.394 22.222 -14.178 1.00 0.00 C ATOM 0 H VAL A 44 -7.593 23.671 -12.028 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.709 21.287 -13.084 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.914 21.950 -12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.122 19.951 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.204 19.514 -11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.812 19.502 -13.670 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.368 22.106 -14.526 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.077 21.797 -14.913 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.615 23.281 -14.047 1.00 0.00 H new ATOM 706 N TYR A 45 -7.861 21.329 -9.871 1.00 0.00 N ATOM 707 CA TYR A 45 -8.110 20.709 -8.557 1.00 0.00 C ATOM 708 C TYR A 45 -9.605 20.373 -8.365 1.00 0.00 C ATOM 709 O TYR A 45 -9.941 19.232 -8.039 1.00 0.00 O ATOM 710 CB TYR A 45 -7.607 21.644 -7.429 1.00 0.00 C ATOM 711 CG TYR A 45 -8.168 21.357 -6.033 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.638 20.350 -5.219 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.261 22.083 -5.538 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.173 20.089 -3.972 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.786 21.826 -4.297 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.249 20.826 -3.523 1.00 0.00 C ATOM 717 OH TYR A 45 -9.800 20.565 -2.295 1.00 0.00 O ATOM 0 H TYR A 45 -7.361 22.216 -9.815 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.558 19.770 -8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.520 21.578 -7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.854 22.672 -7.696 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.799 19.768 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.699 22.861 -6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.751 19.312 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.619 22.408 -3.930 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.549 21.177 -2.136 1.00 0.00 H new ATOM 727 N LEU A 46 -10.480 21.387 -8.571 1.00 0.00 N ATOM 728 CA LEU A 46 -11.948 21.233 -8.417 1.00 0.00 C ATOM 729 C LEU A 46 -12.475 20.128 -9.335 1.00 0.00 C ATOM 730 O LEU A 46 -13.280 19.288 -8.917 1.00 0.00 O ATOM 731 CB LEU A 46 -12.693 22.557 -8.735 1.00 0.00 C ATOM 732 CG LEU A 46 -12.478 23.739 -7.743 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.310 24.965 -8.174 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.792 23.328 -6.283 1.00 0.00 C ATOM 0 H LEU A 46 -10.192 22.326 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.137 20.965 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.390 22.888 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.761 22.343 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.424 24.014 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.147 25.781 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.004 25.280 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.368 24.701 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.630 24.180 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.831 23.006 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.137 22.509 -5.987 1.00 0.00 H new ATOM 746 N PHE A 47 -11.985 20.146 -10.584 1.00 0.00 N ATOM 747 CA PHE A 47 -12.298 19.143 -11.604 1.00 0.00 C ATOM 748 C PHE A 47 -11.890 17.718 -11.139 1.00 0.00 C ATOM 749 O PHE A 47 -12.680 16.788 -11.255 1.00 0.00 O ATOM 750 CB PHE A 47 -11.607 19.525 -12.954 1.00 0.00 C ATOM 751 CG PHE A 47 -11.481 18.373 -13.950 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.608 17.806 -14.545 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.234 17.816 -14.246 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.487 16.732 -15.406 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.121 16.739 -15.097 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.247 16.195 -15.676 1.00 0.00 C ATOM 0 H PHE A 47 -11.350 20.872 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.377 19.129 -11.760 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.172 20.332 -13.421 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.612 19.914 -12.741 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.586 18.211 -14.330 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.345 18.237 -13.800 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.368 16.312 -15.869 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.149 16.320 -15.311 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.158 15.349 -16.341 1.00 0.00 H new ATOM 766 N LEU A 48 -10.658 17.570 -10.623 1.00 0.00 N ATOM 767 CA LEU A 48 -10.100 16.261 -10.210 1.00 0.00 C ATOM 768 C LEU A 48 -10.824 15.688 -8.974 1.00 0.00 C ATOM 769 O LEU A 48 -11.066 14.488 -8.904 1.00 0.00 O ATOM 770 CB LEU A 48 -8.579 16.370 -9.938 1.00 0.00 C ATOM 771 CG LEU A 48 -7.673 16.716 -11.158 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.200 16.807 -10.732 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.858 15.713 -12.319 1.00 0.00 C ATOM 0 H LEU A 48 -10.018 18.351 -10.479 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.261 15.570 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.424 17.130 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.239 15.422 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.983 17.693 -11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.585 17.049 -11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.087 17.586 -9.978 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.881 15.851 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.208 15.992 -13.148 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.601 14.710 -11.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.896 15.728 -12.651 1.00 0.00 H new ATOM 785 N VAL A 49 -11.158 16.554 -8.004 1.00 0.00 N ATOM 786 CA VAL A 49 -11.919 16.156 -6.798 1.00 0.00 C ATOM 787 C VAL A 49 -13.341 15.708 -7.197 1.00 0.00 C ATOM 788 O VAL A 49 -13.854 14.692 -6.707 1.00 0.00 O ATOM 789 CB VAL A 49 -11.995 17.320 -5.737 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.887 16.936 -4.533 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.584 17.723 -5.255 1.00 0.00 C ATOM 0 H VAL A 49 -10.913 17.544 -8.028 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.390 15.324 -6.333 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.451 18.178 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.915 17.763 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.897 16.723 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.478 16.052 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.665 18.527 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.097 16.863 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.993 18.063 -6.105 1.00 0.00 H new ATOM 801 N ASP A 50 -13.933 16.471 -8.129 1.00 0.00 N ATOM 802 CA ASP A 50 -15.280 16.207 -8.672 1.00 0.00 C ATOM 803 C ASP A 50 -15.291 14.885 -9.458 1.00 0.00 C ATOM 804 O ASP A 50 -16.232 14.094 -9.363 1.00 0.00 O ATOM 805 CB ASP A 50 -15.704 17.382 -9.589 1.00 0.00 C ATOM 806 CG ASP A 50 -17.155 17.279 -10.092 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.080 17.715 -9.371 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.381 16.759 -11.204 1.00 0.00 O ATOM 0 H ASP A 50 -13.489 17.296 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.988 16.120 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.583 18.319 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.033 17.423 -10.447 1.00 0.00 H new ATOM 813 N ALA A 51 -14.194 14.654 -10.200 1.00 0.00 N ATOM 814 CA ALA A 51 -13.998 13.463 -11.040 1.00 0.00 C ATOM 815 C ALA A 51 -13.450 12.278 -10.214 1.00 0.00 C ATOM 816 O ALA A 51 -13.158 11.218 -10.779 1.00 0.00 O ATOM 817 CB ALA A 51 -13.044 13.806 -12.204 1.00 0.00 C ATOM 0 H ALA A 51 -13.406 15.301 -10.232 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.963 13.158 -11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.898 12.924 -12.827 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.476 14.607 -12.804 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.083 14.130 -11.804 1.00 0.00 H new ATOM 823 N LYS A 52 -13.270 12.497 -8.882 1.00 0.00 N ATOM 824 CA LYS A 52 -12.848 11.459 -7.902 1.00 0.00 C ATOM 825 C LYS A 52 -11.428 10.920 -8.189 1.00 0.00 C ATOM 826 O LYS A 52 -11.076 9.811 -7.782 1.00 0.00 O ATOM 827 CB LYS A 52 -13.903 10.314 -7.813 1.00 0.00 C ATOM 828 CG LYS A 52 -15.296 10.785 -7.336 1.00 0.00 C ATOM 829 CD LYS A 52 -15.250 11.417 -5.925 1.00 0.00 C ATOM 830 CE LYS A 52 -16.607 11.950 -5.454 1.00 0.00 C ATOM 831 NZ LYS A 52 -16.515 12.535 -4.090 1.00 0.00 N ATOM 0 H LYS A 52 -13.416 13.411 -8.454 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.797 11.938 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.003 9.848 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.536 9.547 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.694 11.512 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.981 9.937 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.893 10.673 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.527 12.233 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.965 12.706 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.338 11.142 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.450 12.887 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.196 11.806 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.835 13.322 -4.095 1.00 0.00 H new ATOM 845 N GLN A 53 -10.629 11.740 -8.888 1.00 0.00 N ATOM 846 CA GLN A 53 -9.202 11.493 -9.140 1.00 0.00 C ATOM 847 C GLN A 53 -8.393 11.700 -7.844 1.00 0.00 C ATOM 848 O GLN A 53 -7.541 10.877 -7.490 1.00 0.00 O ATOM 849 CB GLN A 53 -8.703 12.448 -10.260 1.00 0.00 C ATOM 850 CG GLN A 53 -9.482 12.343 -11.593 1.00 0.00 C ATOM 851 CD GLN A 53 -9.363 10.975 -12.273 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.335 10.304 -12.175 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.409 10.555 -12.967 1.00 0.00 N ATOM 0 H GLN A 53 -10.964 12.610 -9.302 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.062 10.463 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.765 13.474 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.650 12.241 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.535 12.555 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.119 13.111 -12.276 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.246 11.135 -13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.378 9.652 -13.440 1.00 0.00 H new ATOM 862 N ILE A 54 -8.693 12.810 -7.134 1.00 0.00 N ATOM 863 CA ILE A 54 -8.075 13.139 -5.827 1.00 0.00 C ATOM 864 C ILE A 54 -9.163 13.462 -4.785 1.00 0.00 C ATOM 865 O ILE A 54 -10.338 13.632 -5.129 1.00 0.00 O ATOM 866 CB ILE A 54 -7.057 14.348 -5.916 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.752 15.639 -6.456 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.829 13.969 -6.760 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.858 16.871 -6.541 1.00 0.00 C ATOM 0 H ILE A 54 -9.370 13.504 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.512 12.257 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.709 14.569 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.150 15.430 -7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.602 15.870 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.144 14.816 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.323 13.118 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.148 13.705 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.434 17.712 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.479 17.115 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.021 16.668 -7.209 1.00 0.00 H new ATOM 881 N ALA A 55 -8.735 13.553 -3.513 1.00 0.00 N ATOM 882 CA ALA A 55 -9.603 13.856 -2.362 1.00 0.00 C ATOM 883 C ALA A 55 -9.553 15.374 -2.038 1.00 0.00 C ATOM 884 O ALA A 55 -8.506 16.009 -2.239 1.00 0.00 O ATOM 885 CB ALA A 55 -9.159 13.013 -1.148 1.00 0.00 C ATOM 0 H ALA A 55 -7.759 13.415 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.634 13.600 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.801 13.236 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.237 11.954 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.126 13.253 -0.897 1.00 0.00 H new ATOM 891 N PRO A 56 -10.680 15.983 -1.537 1.00 0.00 N ATOM 892 CA PRO A 56 -10.748 17.435 -1.234 1.00 0.00 C ATOM 893 C PRO A 56 -9.901 17.854 -0.006 1.00 0.00 C ATOM 894 O PRO A 56 -9.965 17.231 1.062 1.00 0.00 O ATOM 895 CB PRO A 56 -12.260 17.681 -0.990 1.00 0.00 C ATOM 896 CG PRO A 56 -12.783 16.363 -0.514 1.00 0.00 C ATOM 897 CD PRO A 56 -11.985 15.312 -1.258 1.00 0.00 C ATOM 0 HA PRO A 56 -10.332 18.032 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.420 18.463 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.762 18.001 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.659 16.259 0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.848 16.266 -0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.851 14.412 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.484 15.009 -2.179 1.00 0.00 H new ATOM 905 N LEU A 57 -9.095 18.901 -0.202 1.00 0.00 N ATOM 906 CA LEU A 57 -8.378 19.609 0.869 1.00 0.00 C ATOM 907 C LEU A 57 -9.372 20.353 1.795 1.00 0.00 C ATOM 908 O LEU A 57 -10.347 20.934 1.300 1.00 0.00 O ATOM 909 CB LEU A 57 -7.388 20.621 0.235 1.00 0.00 C ATOM 910 CG LEU A 57 -6.185 19.993 -0.541 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.511 21.030 -1.462 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.160 19.367 0.440 1.00 0.00 C ATOM 0 H LEU A 57 -8.917 19.290 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.831 18.883 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.942 21.264 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.994 21.260 1.025 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.576 19.196 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.678 20.563 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.237 21.399 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.141 21.862 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.333 18.937 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.780 20.138 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.646 18.586 1.024 1.00 0.00 H new ATOM 924 N PRO A 58 -9.154 20.346 3.152 1.00 0.00 N ATOM 925 CA PRO A 58 -10.002 21.109 4.104 1.00 0.00 C ATOM 926 C PRO A 58 -9.804 22.638 3.984 1.00 0.00 C ATOM 927 O PRO A 58 -8.942 23.109 3.233 1.00 0.00 O ATOM 928 CB PRO A 58 -9.557 20.566 5.485 1.00 0.00 C ATOM 929 CG PRO A 58 -8.141 20.133 5.277 1.00 0.00 C ATOM 930 CD PRO A 58 -8.090 19.579 3.869 1.00 0.00 C ATOM 0 HA PRO A 58 -11.067 20.974 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.628 21.334 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.184 19.734 5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.453 20.970 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.850 19.377 6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.111 19.730 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.288 18.507 3.852 1.00 0.00 H new ATOM 938 N ASP A 59 -10.589 23.397 4.767 1.00 0.00 N ATOM 939 CA ASP A 59 -10.654 24.874 4.681 1.00 0.00 C ATOM 940 C ASP A 59 -9.315 25.550 5.058 1.00 0.00 C ATOM 941 O ASP A 59 -9.045 26.675 4.629 1.00 0.00 O ATOM 942 CB ASP A 59 -11.794 25.411 5.587 1.00 0.00 C ATOM 943 CG ASP A 59 -13.179 24.850 5.205 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.777 25.331 4.218 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.682 23.931 5.888 1.00 0.00 O ATOM 0 H ASP A 59 -11.201 23.005 5.483 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.860 25.126 3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.578 25.156 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.819 26.499 5.525 1.00 0.00 H new ATOM 950 N SER A 60 -8.493 24.854 5.869 1.00 0.00 N ATOM 951 CA SER A 60 -7.153 25.330 6.269 1.00 0.00 C ATOM 952 C SER A 60 -6.115 25.073 5.156 1.00 0.00 C ATOM 953 O SER A 60 -5.147 25.827 5.012 1.00 0.00 O ATOM 954 CB SER A 60 -6.715 24.642 7.582 1.00 0.00 C ATOM 955 OG SER A 60 -7.669 24.877 8.601 1.00 0.00 O ATOM 0 H SER A 60 -8.739 23.947 6.265 1.00 0.00 H new ATOM 0 HA SER A 60 -7.209 26.406 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.603 23.570 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.741 25.021 7.892 1.00 0.00 H new ATOM 0 HG SER A 60 -7.381 24.435 9.427 1.00 0.00 H new ATOM 961 N LYS A 61 -6.343 23.999 4.369 1.00 0.00 N ATOM 962 CA LYS A 61 -5.416 23.562 3.302 1.00 0.00 C ATOM 963 C LYS A 61 -5.939 23.937 1.909 1.00 0.00 C ATOM 964 O LYS A 61 -5.397 23.494 0.898 1.00 0.00 O ATOM 965 CB LYS A 61 -5.183 22.031 3.399 1.00 0.00 C ATOM 966 CG LYS A 61 -4.599 21.576 4.751 1.00 0.00 C ATOM 967 CD LYS A 61 -3.251 22.257 5.088 1.00 0.00 C ATOM 968 CE LYS A 61 -2.710 21.842 6.458 1.00 0.00 C ATOM 969 NZ LYS A 61 -2.377 20.393 6.512 1.00 0.00 N ATOM 0 H LYS A 61 -7.173 23.412 4.455 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.468 24.080 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.130 21.517 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.508 21.724 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.317 21.793 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.460 20.495 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.519 22.005 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.379 23.339 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.820 22.427 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.450 22.072 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.936 20.172 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.246 19.833 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.716 20.160 5.744 1.00 0.00 H new ATOM 983 N LEU A 62 -6.989 24.762 1.852 1.00 0.00 N ATOM 984 CA LEU A 62 -7.517 25.260 0.569 1.00 0.00 C ATOM 985 C LEU A 62 -6.764 26.558 0.225 1.00 0.00 C ATOM 986 O LEU A 62 -7.261 27.672 0.423 1.00 0.00 O ATOM 987 CB LEU A 62 -9.073 25.449 0.624 1.00 0.00 C ATOM 988 CG LEU A 62 -9.861 25.155 -0.700 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.472 26.102 -1.854 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.703 23.679 -1.109 1.00 0.00 C ATOM 0 H LEU A 62 -7.491 25.100 2.673 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.349 24.532 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.468 24.802 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.282 26.476 0.924 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.913 25.348 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.050 25.849 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.681 27.132 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.409 25.995 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.257 23.495 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.648 23.457 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.092 23.038 -0.318 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.523 26.361 -0.223 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.581 27.430 -0.585 1.00 0.00 C ATOM 1004 C ASP A 63 -3.754 26.950 -1.774 1.00 0.00 C ATOM 1005 O ASP A 63 -3.404 25.765 -1.822 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.661 27.764 0.619 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.603 28.853 0.318 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.888 30.055 0.517 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.478 28.511 -0.128 1.00 0.00 O ATOM 0 H ASP A 63 -5.131 25.428 -0.349 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.123 28.337 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.278 28.093 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.151 26.855 0.937 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.404 27.888 -2.682 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.732 27.588 -3.960 1.00 0.00 C ATOM 1016 C GLY A 64 -1.542 26.632 -3.856 1.00 0.00 C ATOM 1017 O GLY A 64 -1.352 25.790 -4.727 1.00 0.00 O ATOM 0 H GLY A 64 -3.583 28.883 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.463 27.161 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.389 28.524 -4.402 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.779 26.741 -2.752 1.00 0.00 N ATOM 1022 CA ALA A 65 0.395 25.885 -2.478 1.00 0.00 C ATOM 1023 C ALA A 65 -0.012 24.397 -2.331 1.00 0.00 C ATOM 1024 O ALA A 65 0.552 23.516 -2.993 1.00 0.00 O ATOM 1025 CB ALA A 65 1.098 26.386 -1.206 1.00 0.00 C ATOM 0 H ALA A 65 -0.959 27.428 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 65 1.082 25.948 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.965 25.759 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.422 27.416 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.406 26.338 -0.365 1.00 0.00 H new ATOM 1031 N ASN A 66 -1.025 24.149 -1.479 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.552 22.789 -1.189 1.00 0.00 C ATOM 1033 C ASN A 66 -2.224 22.183 -2.433 1.00 0.00 C ATOM 1034 O ASN A 66 -2.131 20.968 -2.681 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.584 22.840 -0.038 1.00 0.00 C ATOM 1036 CG ASN A 66 -2.027 23.424 1.259 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -2.140 24.733 1.419 1.00 0.00 O flip ATOM 1038 ND2 ASN A 66 -1.506 22.706 2.108 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.508 24.887 -0.966 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.707 22.165 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.441 23.435 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.950 21.832 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.435 21.700 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.144 23.115 2.969 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.924 23.060 -3.182 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.588 22.712 -4.448 1.00 0.00 C ATOM 1047 C ILE A 67 -2.560 22.107 -5.438 1.00 0.00 C ATOM 1048 O ILE A 67 -2.765 21.006 -5.971 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.271 23.982 -5.093 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.325 24.645 -4.137 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.904 23.633 -6.448 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.537 23.802 -3.814 1.00 0.00 C ATOM 0 H ILE A 67 -3.043 24.038 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.362 21.974 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.484 24.718 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.828 24.906 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.663 25.577 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.368 24.523 -6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.133 23.267 -7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.661 22.861 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.198 24.356 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.068 23.561 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.220 22.880 -3.326 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.434 22.834 -5.618 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.312 22.425 -6.496 1.00 0.00 C ATOM 1066 C LYS A 68 0.235 21.041 -6.114 1.00 0.00 C ATOM 1067 O LYS A 68 0.582 20.236 -6.983 1.00 0.00 O ATOM 1068 CB LYS A 68 0.839 23.461 -6.408 1.00 0.00 C ATOM 1069 CG LYS A 68 0.515 24.837 -7.012 1.00 0.00 C ATOM 1070 CD LYS A 68 1.655 25.851 -6.815 1.00 0.00 C ATOM 1071 CE LYS A 68 1.290 27.267 -7.288 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.415 28.213 -7.090 1.00 0.00 N ATOM 0 H LYS A 68 -1.276 23.729 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.699 22.376 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.110 23.594 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.714 23.055 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.314 24.724 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.395 25.225 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.925 25.885 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.536 25.509 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.017 27.240 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.416 27.620 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.135 29.159 -7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.659 28.256 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.241 27.888 -7.632 1.00 0.00 H new ATOM 1086 N HIS A 69 0.301 20.792 -4.799 1.00 0.00 N ATOM 1087 CA HIS A 69 0.863 19.556 -4.238 1.00 0.00 C ATOM 1088 C HIS A 69 -0.032 18.339 -4.568 1.00 0.00 C ATOM 1089 O HIS A 69 0.469 17.260 -4.893 1.00 0.00 O ATOM 1090 CB HIS A 69 1.053 19.723 -2.711 1.00 0.00 C ATOM 1091 CG HIS A 69 1.921 18.668 -2.079 1.00 0.00 C ATOM 1092 ND1 HIS A 69 3.295 18.714 -2.126 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.616 17.560 -1.368 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.795 17.688 -1.481 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.800 16.970 -1.004 1.00 0.00 N ATOM 0 H HIS A 69 -0.035 21.445 -4.092 1.00 0.00 H new ATOM 0 HA HIS A 69 1.836 19.368 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.490 20.702 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.075 19.709 -2.231 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.842 19.437 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.624 17.205 -1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.846 17.469 -1.361 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.360 18.540 -4.503 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.353 17.498 -4.855 1.00 0.00 C ATOM 1106 C ARG A 70 -2.318 17.179 -6.358 1.00 0.00 C ATOM 1107 O ARG A 70 -2.409 16.010 -6.751 1.00 0.00 O ATOM 1108 CB ARG A 70 -3.778 17.932 -4.423 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.018 17.858 -2.905 1.00 0.00 C ATOM 1110 CD ARG A 70 -3.953 16.415 -2.366 1.00 0.00 C ATOM 1111 NE ARG A 70 -4.075 16.368 -0.891 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.023 15.707 -0.197 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -5.985 15.033 -0.822 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -4.995 15.718 1.122 1.00 0.00 N ATOM 0 H ARG A 70 -1.778 19.422 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.088 16.590 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.954 18.954 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.509 17.300 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.274 18.468 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.994 18.285 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.751 15.824 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.010 15.958 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.379 16.882 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.013 15.011 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.695 14.538 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.258 16.225 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.710 15.219 1.651 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.187 18.235 -7.178 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.045 18.101 -8.642 1.00 0.00 C ATOM 1130 C LEU A 71 -0.759 17.327 -8.999 1.00 0.00 C ATOM 1131 O LEU A 71 -0.756 16.485 -9.902 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.004 19.493 -9.326 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.245 20.418 -9.140 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.149 21.652 -10.052 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.571 19.665 -9.358 1.00 0.00 C ATOM 0 H LEU A 71 -2.176 19.201 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.912 17.549 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.128 20.025 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.855 19.339 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.242 20.757 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.026 22.282 -9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.250 22.217 -9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.103 21.332 -11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.406 20.351 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.598 19.262 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.648 18.848 -8.640 1.00 0.00 H new ATOM 1147 N ALA A 72 0.319 17.639 -8.254 1.00 0.00 N ATOM 1148 CA ALA A 72 1.653 17.057 -8.456 1.00 0.00 C ATOM 1149 C ALA A 72 1.650 15.537 -8.204 1.00 0.00 C ATOM 1150 O ALA A 72 2.116 14.763 -9.043 1.00 0.00 O ATOM 1151 CB ALA A 72 2.675 17.760 -7.551 1.00 0.00 C ATOM 0 H ALA A 72 0.284 18.310 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 72 1.938 17.212 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.661 17.322 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.707 18.822 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.384 17.635 -6.508 1.00 0.00 H new ATOM 1157 N LEU A 73 1.115 15.119 -7.039 1.00 0.00 N ATOM 1158 CA LEU A 73 1.030 13.686 -6.672 1.00 0.00 C ATOM 1159 C LEU A 73 0.039 12.923 -7.570 1.00 0.00 C ATOM 1160 O LEU A 73 0.261 11.737 -7.866 1.00 0.00 O ATOM 1161 CB LEU A 73 0.678 13.477 -5.173 1.00 0.00 C ATOM 1162 CG LEU A 73 1.888 13.527 -4.180 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.361 14.964 -3.895 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.572 12.757 -2.887 1.00 0.00 C ATOM 0 H LEU A 73 0.735 15.751 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 73 2.025 13.273 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.043 14.240 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.183 12.512 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 73 2.724 13.027 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.201 14.940 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.673 15.436 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.544 15.536 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.429 12.807 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.703 13.202 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.360 11.715 -3.127 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.048 13.607 -7.990 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.041 13.029 -8.915 1.00 0.00 C ATOM 1178 C TRP A 74 -1.368 12.605 -10.229 1.00 0.00 C ATOM 1179 O TRP A 74 -1.477 11.451 -10.651 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.192 14.027 -9.228 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.105 13.535 -10.335 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -5.021 12.528 -10.259 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.132 13.994 -11.693 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.603 12.329 -11.480 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.077 13.218 -12.373 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.444 14.990 -12.392 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.351 13.397 -13.716 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.719 15.173 -13.730 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.665 14.379 -14.380 1.00 0.00 C ATOM 0 H TRP A 74 -1.258 14.562 -7.701 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.468 12.157 -8.420 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.779 14.194 -8.325 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.766 14.989 -9.514 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.253 11.969 -9.365 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.315 11.629 -11.690 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.710 15.605 -11.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.081 12.784 -14.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.196 15.940 -14.282 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.860 14.543 -15.430 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.691 13.572 -10.871 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.069 13.371 -12.184 1.00 0.00 C ATOM 1202 C ILE A 75 1.165 12.462 -12.067 1.00 0.00 C ATOM 1203 O ILE A 75 1.522 11.786 -13.018 1.00 0.00 O ATOM 1204 CB ILE A 75 0.300 14.735 -12.882 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.683 14.526 -14.383 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.427 15.460 -12.125 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.409 13.901 -15.239 1.00 0.00 C ATOM 0 H ILE A 75 -0.562 14.511 -10.493 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.805 12.877 -12.819 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.588 15.366 -12.852 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.954 15.491 -14.812 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.570 13.895 -14.433 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.660 16.398 -12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.105 15.668 -11.105 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.315 14.829 -12.104 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.052 13.795 -16.264 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.666 12.919 -14.841 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.292 14.540 -15.226 1.00 0.00 H new ATOM 1219 N HIS A 76 1.793 12.431 -10.876 1.00 0.00 N ATOM 1220 CA HIS A 76 2.943 11.548 -10.617 1.00 0.00 C ATOM 1221 C HIS A 76 2.480 10.085 -10.490 1.00 0.00 C ATOM 1222 O HIS A 76 3.251 9.163 -10.744 1.00 0.00 O ATOM 1223 CB HIS A 76 3.719 12.001 -9.348 1.00 0.00 C ATOM 1224 CG HIS A 76 5.191 11.688 -9.392 1.00 0.00 C ATOM 1225 ND1 HIS A 76 6.004 11.710 -8.284 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.006 11.424 -10.441 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.248 11.486 -8.655 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.276 11.308 -9.951 1.00 0.00 N ATOM 0 H HIS A 76 1.522 13.008 -10.079 1.00 0.00 H new ATOM 0 HA HIS A 76 3.626 11.617 -11.464 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.589 13.075 -9.218 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.281 11.519 -8.474 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.707 11.324 -11.474 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.104 11.454 -7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.110 11.114 -10.505 1.00 0.00 H new ATOM 1237 N ALA A 77 1.220 9.902 -10.056 1.00 0.00 N ATOM 1238 CA ALA A 77 0.540 8.593 -10.063 1.00 0.00 C ATOM 1239 C ALA A 77 -0.029 8.273 -11.464 1.00 0.00 C ATOM 1240 O ALA A 77 -0.078 7.108 -11.876 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.569 8.592 -9.003 1.00 0.00 C ATOM 0 H ALA A 77 0.643 10.659 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 77 1.263 7.813 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.074 7.626 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.133 8.771 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.289 9.378 -9.229 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.450 9.331 -12.187 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.009 9.220 -13.552 1.00 0.00 C ATOM 1249 C ALA A 78 0.095 8.875 -14.573 1.00 0.00 C ATOM 1250 O ALA A 78 -0.180 8.302 -15.629 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.743 10.514 -13.943 1.00 0.00 C ATOM 0 H ALA A 78 -0.412 10.290 -11.840 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.734 8.406 -13.560 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.147 10.413 -14.950 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.557 10.696 -13.242 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.045 11.351 -13.914 1.00 0.00 H new ATOM 1257 N LEU A 79 1.338 9.258 -14.242 1.00 0.00 N ATOM 1258 CA LEU A 79 2.545 8.806 -14.945 1.00 0.00 C ATOM 1259 C LEU A 79 3.068 7.565 -14.190 1.00 0.00 C ATOM 1260 O LEU A 79 3.673 7.712 -13.122 1.00 0.00 O ATOM 1261 CB LEU A 79 3.624 9.933 -14.981 1.00 0.00 C ATOM 1262 CG LEU A 79 3.203 11.287 -15.653 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.330 12.349 -15.537 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.773 11.078 -17.124 1.00 0.00 C ATOM 0 H LEU A 79 1.533 9.896 -13.471 1.00 0.00 H new ATOM 0 HA LEU A 79 2.317 8.558 -15.982 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.932 10.142 -13.957 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.499 9.550 -15.505 1.00 0.00 H new ATOM 0 HG LEU A 79 2.337 11.667 -15.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.007 13.275 -16.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.546 12.537 -14.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.229 11.981 -16.032 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.488 12.036 -17.559 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.604 10.655 -17.689 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.924 10.395 -17.161 1.00 0.00 H new ATOM 1276 N PRO A 80 2.814 6.311 -14.704 1.00 0.00 N ATOM 1277 CA PRO A 80 3.183 5.060 -13.992 1.00 0.00 C ATOM 1278 C PRO A 80 4.713 4.842 -13.957 1.00 0.00 C ATOM 1279 O PRO A 80 5.215 4.029 -13.178 1.00 0.00 O ATOM 1280 CB PRO A 80 2.448 3.937 -14.783 1.00 0.00 C ATOM 1281 CG PRO A 80 1.577 4.643 -15.790 1.00 0.00 C ATOM 1282 CD PRO A 80 2.191 6.008 -16.013 1.00 0.00 C ATOM 0 HA PRO A 80 2.890 5.082 -12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.161 3.277 -15.278 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.850 3.317 -14.116 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.531 4.082 -16.723 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.555 4.734 -15.422 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.927 5.993 -16.817 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.439 6.749 -16.283 1.00 0.00 H new ATOM 1290 N ASP A 81 5.428 5.584 -14.822 1.00 0.00 N ATOM 1291 CA ASP A 81 6.901 5.618 -14.858 1.00 0.00 C ATOM 1292 C ASP A 81 7.478 6.368 -13.638 1.00 0.00 C ATOM 1293 O ASP A 81 8.659 6.200 -13.309 1.00 0.00 O ATOM 1294 CB ASP A 81 7.391 6.308 -16.161 1.00 0.00 C ATOM 1295 CG ASP A 81 6.935 5.605 -17.453 1.00 0.00 C ATOM 1296 OD1 ASP A 81 5.750 5.743 -17.838 1.00 0.00 O ATOM 1297 OD2 ASP A 81 7.758 4.912 -18.095 1.00 0.00 O ATOM 0 H ASP A 81 4.994 6.184 -15.524 1.00 0.00 H new ATOM 0 HA ASP A 81 7.254 4.587 -14.831 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.030 7.337 -16.173 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.480 6.352 -16.149 1.00 0.00 H new ATOM 1302 N ASN A 82 6.629 7.207 -12.998 1.00 0.00 N ATOM 1303 CA ASN A 82 7.000 8.055 -11.847 1.00 0.00 C ATOM 1304 C ASN A 82 8.125 9.042 -12.245 1.00 0.00 C ATOM 1305 O ASN A 82 9.124 9.202 -11.526 1.00 0.00 O ATOM 1306 CB ASN A 82 7.387 7.195 -10.600 1.00 0.00 C ATOM 1307 CG ASN A 82 6.238 6.350 -10.042 1.00 0.00 C ATOM 1308 OD1 ASN A 82 5.068 6.710 -10.151 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.574 5.235 -9.410 1.00 0.00 N ATOM 0 H ASN A 82 5.653 7.313 -13.274 1.00 0.00 H new ATOM 0 HA ASN A 82 6.128 8.642 -11.559 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.212 6.535 -10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.752 7.857 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.852 4.646 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.555 4.966 -9.338 1.00 0.00 H new ATOM 1316 N ASP A 83 7.908 9.726 -13.386 1.00 0.00 N ATOM 1317 CA ASP A 83 8.886 10.645 -14.015 1.00 0.00 C ATOM 1318 C ASP A 83 9.251 11.834 -13.087 1.00 0.00 C ATOM 1319 O ASP A 83 8.400 12.297 -12.322 1.00 0.00 O ATOM 1320 CB ASP A 83 8.300 11.196 -15.346 1.00 0.00 C ATOM 1321 CG ASP A 83 7.908 10.092 -16.340 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.756 9.606 -16.277 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.744 9.703 -17.187 1.00 0.00 O ATOM 0 H ASP A 83 7.034 9.656 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 83 9.797 10.076 -14.204 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.423 11.804 -15.125 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.034 11.853 -15.814 1.00 0.00 H new ATOM 1328 N PRO A 84 10.524 12.337 -13.128 1.00 0.00 N ATOM 1329 CA PRO A 84 10.927 13.554 -12.379 1.00 0.00 C ATOM 1330 C PRO A 84 10.383 14.845 -13.033 1.00 0.00 C ATOM 1331 O PRO A 84 10.206 15.862 -12.347 1.00 0.00 O ATOM 1332 CB PRO A 84 12.476 13.493 -12.435 1.00 0.00 C ATOM 1333 CG PRO A 84 12.767 12.785 -13.728 1.00 0.00 C ATOM 1334 CD PRO A 84 11.676 11.746 -13.869 1.00 0.00 C ATOM 0 HA PRO A 84 10.532 13.579 -11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.915 14.490 -12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.885 12.951 -11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.759 13.480 -14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.753 12.320 -13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.428 11.565 -14.915 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.977 10.789 -13.443 1.00 0.00 H new ATOM 1342 N LEU A 85 10.108 14.768 -14.362 1.00 0.00 N ATOM 1343 CA LEU A 85 9.779 15.933 -15.216 1.00 0.00 C ATOM 1344 C LEU A 85 10.877 17.010 -15.076 1.00 0.00 C ATOM 1345 O LEU A 85 10.586 18.201 -15.033 1.00 0.00 O ATOM 1346 CB LEU A 85 8.362 16.525 -14.919 1.00 0.00 C ATOM 1347 CG LEU A 85 7.135 15.597 -15.188 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.917 14.600 -14.041 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.865 16.426 -15.457 1.00 0.00 C ATOM 0 H LEU A 85 10.109 13.885 -14.872 1.00 0.00 H new ATOM 0 HA LEU A 85 9.746 15.584 -16.248 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.334 16.828 -13.872 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.241 17.429 -15.516 1.00 0.00 H new ATOM 0 HG LEU A 85 7.353 15.016 -16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.055 13.972 -14.264 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.803 13.975 -13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.739 15.145 -13.114 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.025 15.756 -15.641 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.648 17.050 -14.590 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.022 17.059 -16.330 1.00 0.00 H new ATOM 1361 N LYS A 86 12.140 16.556 -15.004 1.00 0.00 N ATOM 1362 CA LYS A 86 13.292 17.431 -14.737 1.00 0.00 C ATOM 1363 C LYS A 86 13.510 18.406 -15.923 1.00 0.00 C ATOM 1364 O LYS A 86 13.838 17.934 -17.033 1.00 0.00 O ATOM 1365 CB LYS A 86 14.571 16.584 -14.452 1.00 0.00 C ATOM 1366 CG LYS A 86 15.816 17.416 -14.057 1.00 0.00 C ATOM 1367 CD LYS A 86 15.598 18.263 -12.780 1.00 0.00 C ATOM 1368 CE LYS A 86 16.806 19.142 -12.431 1.00 0.00 C ATOM 1369 NZ LYS A 86 16.559 19.972 -11.221 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.331 19.627 -15.740 1.00 0.00 O ATOM 0 H LYS A 86 12.389 15.575 -15.129 1.00 0.00 H new ATOM 0 HA LYS A 86 13.085 18.025 -13.846 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.353 15.877 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.808 15.997 -15.339 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.660 16.744 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.082 18.076 -14.883 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.722 18.897 -12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.384 17.599 -11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.679 18.510 -12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.038 19.791 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.867 20.949 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.543 19.965 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.093 19.583 -10.418 1.00 0.00 H new TER 1384 LYS A 86