USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0128) USER MOD Single : A 8 THR OG1 : rot 93:sc= 0.0463 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 20 THR OG1 : rot -12:sc= 0.775 USER MOD Single : A 22 HIS : no HD1:sc= -9.64! C(o=-9.6!,f=-20!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 98:sc= 0.971 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= -3.29! (180deg=-3.52!) USER MOD Single : A 61 ASN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 65 THR OG1 : rot 20:sc= 0.387 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 101:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.352 7.415 1.328 1.00 0.00 N ATOM 2 CA ALA A 1 -10.598 8.615 0.865 1.00 0.00 C ATOM 3 C ALA A 1 -9.140 8.506 1.315 1.00 0.00 C ATOM 4 O ALA A 1 -8.749 9.056 2.326 1.00 0.00 O ATOM 5 CB ALA A 1 -11.225 9.874 1.468 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.343 7.489 1.022 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.926 6.559 0.919 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.313 7.360 2.366 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.639 8.673 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.675 10.752 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.264 9.952 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.183 9.816 2.556 1.00 0.00 H new ATOM 13 N ILE A 2 -8.332 7.799 0.573 1.00 0.00 N ATOM 14 CA ILE A 2 -6.900 7.655 0.960 1.00 0.00 C ATOM 15 C ILE A 2 -6.044 7.506 -0.300 1.00 0.00 C ATOM 16 O ILE A 2 -6.225 6.592 -1.080 1.00 0.00 O ATOM 17 CB ILE A 2 -6.731 6.416 1.840 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.216 5.180 1.078 1.00 0.00 C ATOM 19 CG2 ILE A 2 -7.556 6.581 3.118 1.00 0.00 C ATOM 20 CD1 ILE A 2 -6.010 4.388 0.571 1.00 0.00 C ATOM 0 H ILE A 2 -8.601 7.315 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.583 8.539 1.513 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.679 6.295 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.827 4.555 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.846 5.480 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.436 5.698 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.213 7.462 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.608 6.701 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.355 3.508 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.417 5.015 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.398 4.076 1.417 1.00 0.00 H new ATOM 32 N ASP A 3 -5.114 8.398 -0.505 1.00 0.00 N ATOM 33 CA ASP A 3 -4.248 8.306 -1.714 1.00 0.00 C ATOM 34 C ASP A 3 -3.233 7.176 -1.531 1.00 0.00 C ATOM 35 O ASP A 3 -3.044 6.670 -0.443 1.00 0.00 O ATOM 36 CB ASP A 3 -3.507 9.630 -1.913 1.00 0.00 C ATOM 37 CG ASP A 3 -2.901 9.669 -3.317 1.00 0.00 C ATOM 38 OD1 ASP A 3 -3.623 9.391 -4.260 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.726 9.978 -3.424 1.00 0.00 O ATOM 0 H ASP A 3 -4.917 9.186 0.112 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.866 8.100 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.193 10.467 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.723 9.736 -1.164 1.00 0.00 H new ATOM 44 N ILE A 4 -2.579 6.776 -2.587 1.00 0.00 N ATOM 45 CA ILE A 4 -1.578 5.679 -2.472 1.00 0.00 C ATOM 46 C ILE A 4 -0.268 6.113 -3.131 1.00 0.00 C ATOM 47 O ILE A 4 -0.218 6.384 -4.314 1.00 0.00 O ATOM 48 CB ILE A 4 -2.110 4.426 -3.171 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.489 4.074 -2.606 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.149 3.261 -2.932 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.118 2.964 -3.448 1.00 0.00 C ATOM 0 H ILE A 4 -2.695 7.162 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.400 5.459 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.192 4.615 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.397 3.750 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.131 4.955 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.528 2.369 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.167 3.511 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.066 3.072 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.100 2.714 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.224 3.304 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.479 2.081 -3.422 1.00 0.00 H new ATOM 63 N LYS A 5 0.793 6.182 -2.375 1.00 0.00 N ATOM 64 CA LYS A 5 2.099 6.599 -2.961 1.00 0.00 C ATOM 65 C LYS A 5 3.211 5.700 -2.417 1.00 0.00 C ATOM 66 O LYS A 5 3.033 4.994 -1.444 1.00 0.00 O ATOM 67 CB LYS A 5 2.387 8.053 -2.580 1.00 0.00 C ATOM 68 CG LYS A 5 2.344 8.201 -1.059 1.00 0.00 C ATOM 69 CD LYS A 5 2.797 9.610 -0.670 1.00 0.00 C ATOM 70 CE LYS A 5 1.624 10.372 -0.049 1.00 0.00 C ATOM 71 NZ LYS A 5 1.358 9.845 1.320 1.00 0.00 N ATOM 0 H LYS A 5 0.813 5.968 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 5 2.056 6.509 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.365 8.352 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.652 8.713 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.333 8.019 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.991 7.458 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.624 9.555 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.164 10.141 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.852 11.437 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.736 10.263 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.694 10.476 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.945 8.893 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.250 9.798 1.853 1.00 0.00 H new ATOM 85 N ALA A 6 4.360 5.720 -3.038 1.00 0.00 N ATOM 86 CA ALA A 6 5.482 4.866 -2.555 1.00 0.00 C ATOM 87 C ALA A 6 6.038 5.443 -1.251 1.00 0.00 C ATOM 88 O ALA A 6 5.986 6.638 -1.031 1.00 0.00 O ATOM 89 CB ALA A 6 6.588 4.834 -3.612 1.00 0.00 C ATOM 0 H ALA A 6 4.569 6.290 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 6 5.119 3.854 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.409 4.210 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.192 4.423 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.952 5.846 -3.789 1.00 0.00 H new ATOM 95 N PRO A 7 6.557 4.572 -0.423 1.00 0.00 N ATOM 96 CA PRO A 7 7.136 4.958 0.875 1.00 0.00 C ATOM 97 C PRO A 7 8.535 5.549 0.681 1.00 0.00 C ATOM 98 O PRO A 7 9.129 5.433 -0.373 1.00 0.00 O ATOM 99 CB PRO A 7 7.204 3.635 1.644 1.00 0.00 C ATOM 100 CG PRO A 7 7.201 2.511 0.581 1.00 0.00 C ATOM 101 CD PRO A 7 6.613 3.123 -0.705 1.00 0.00 C ATOM 0 HA PRO A 7 6.555 5.719 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.104 3.588 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.354 3.534 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.211 2.140 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.603 1.663 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.240 2.910 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.623 2.721 -0.921 1.00 0.00 H new ATOM 109 N THR A 8 9.067 6.183 1.690 1.00 0.00 N ATOM 110 CA THR A 8 10.425 6.781 1.564 1.00 0.00 C ATOM 111 C THR A 8 11.478 5.671 1.621 1.00 0.00 C ATOM 112 O THR A 8 11.898 5.256 2.682 1.00 0.00 O ATOM 113 CB THR A 8 10.660 7.766 2.711 1.00 0.00 C ATOM 114 OG1 THR A 8 9.409 8.249 3.180 1.00 0.00 O ATOM 115 CG2 THR A 8 11.507 8.939 2.214 1.00 0.00 C ATOM 0 H THR A 8 8.619 6.312 2.597 1.00 0.00 H new ATOM 0 HA THR A 8 10.502 7.308 0.613 1.00 0.00 H new ATOM 0 HB THR A 8 11.184 7.261 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.102 7.691 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.674 9.640 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.466 8.568 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.985 9.446 1.402 1.00 0.00 H new ATOM 123 N PHE A 9 11.908 5.190 0.487 1.00 0.00 N ATOM 124 CA PHE A 9 12.933 4.108 0.478 1.00 0.00 C ATOM 125 C PHE A 9 14.103 4.506 1.383 1.00 0.00 C ATOM 126 O PHE A 9 14.385 5.676 1.549 1.00 0.00 O ATOM 127 CB PHE A 9 13.441 3.898 -0.950 1.00 0.00 C ATOM 128 CG PHE A 9 12.276 3.581 -1.857 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.269 2.708 -1.425 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.201 4.161 -3.130 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.187 2.414 -2.266 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.120 3.867 -3.972 1.00 0.00 C ATOM 133 CZ PHE A 9 10.114 2.994 -3.540 1.00 0.00 C ATOM 0 H PHE A 9 11.594 5.499 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 9 12.488 3.183 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.955 4.793 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.166 3.084 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.327 2.261 -0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.977 4.835 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.410 1.741 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.063 4.314 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.281 2.767 -4.189 1.00 0.00 H new ATOM 143 N PRO A 10 14.750 3.513 1.940 1.00 0.00 N ATOM 144 CA PRO A 10 15.899 3.720 2.838 1.00 0.00 C ATOM 145 C PRO A 10 17.160 4.036 2.027 1.00 0.00 C ATOM 146 O PRO A 10 17.143 4.041 0.812 1.00 0.00 O ATOM 147 CB PRO A 10 16.036 2.376 3.559 1.00 0.00 C ATOM 148 CG PRO A 10 15.351 1.323 2.654 1.00 0.00 C ATOM 149 CD PRO A 10 14.394 2.096 1.727 1.00 0.00 C ATOM 0 HA PRO A 10 15.763 4.555 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.085 2.127 3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.563 2.412 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.090 0.771 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.806 0.593 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.526 1.804 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.352 1.905 1.982 1.00 0.00 H new ATOM 157 N GLU A 11 18.253 4.298 2.690 1.00 0.00 N ATOM 158 CA GLU A 11 19.512 4.612 1.957 1.00 0.00 C ATOM 159 C GLU A 11 19.975 3.376 1.185 1.00 0.00 C ATOM 160 O GLU A 11 20.199 3.426 -0.008 1.00 0.00 O ATOM 161 CB GLU A 11 20.594 5.024 2.957 1.00 0.00 C ATOM 162 CG GLU A 11 21.890 5.337 2.206 1.00 0.00 C ATOM 163 CD GLU A 11 23.053 5.399 3.198 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.818 5.784 4.333 1.00 0.00 O ATOM 165 OE2 GLU A 11 24.158 5.062 2.808 1.00 0.00 O ATOM 0 H GLU A 11 18.329 4.308 3.707 1.00 0.00 H new ATOM 0 HA GLU A 11 19.332 5.429 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.268 5.897 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.763 4.223 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.081 4.572 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.797 6.286 1.679 1.00 0.00 H new ATOM 172 N SER A 12 20.122 2.266 1.858 1.00 0.00 N ATOM 173 CA SER A 12 20.573 1.027 1.166 1.00 0.00 C ATOM 174 C SER A 12 19.842 0.890 -0.171 1.00 0.00 C ATOM 175 O SER A 12 20.442 0.613 -1.191 1.00 0.00 O ATOM 176 CB SER A 12 20.261 -0.187 2.043 1.00 0.00 C ATOM 177 OG SER A 12 20.858 -1.343 1.472 1.00 0.00 O ATOM 0 H SER A 12 19.949 2.165 2.858 1.00 0.00 H new ATOM 0 HA SER A 12 21.647 1.083 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.640 -0.028 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.183 -0.323 2.126 1.00 0.00 H new ATOM 0 HG SER A 12 20.662 -2.123 2.032 1.00 0.00 H new ATOM 183 N ILE A 13 18.552 1.082 -0.176 1.00 0.00 N ATOM 184 CA ILE A 13 17.785 0.962 -1.448 1.00 0.00 C ATOM 185 C ILE A 13 17.637 2.345 -2.085 1.00 0.00 C ATOM 186 O ILE A 13 17.622 3.353 -1.408 1.00 0.00 O ATOM 187 CB ILE A 13 16.399 0.383 -1.156 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.535 -0.804 -0.201 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.756 -0.085 -2.462 1.00 0.00 C ATOM 190 CD1 ILE A 13 17.622 -1.751 -0.713 1.00 0.00 C ATOM 0 H ILE A 13 17.995 1.317 0.646 1.00 0.00 H new ATOM 0 HA ILE A 13 18.317 0.301 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 13 15.774 1.149 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.787 -0.452 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.585 -1.332 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.769 -0.497 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.660 0.760 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.380 -0.852 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.718 -2.597 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.351 -2.113 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.572 -1.219 -0.768 1.00 0.00 H new ATOM 202 N ALA A 14 17.526 2.401 -3.385 1.00 0.00 N ATOM 203 CA ALA A 14 17.378 3.719 -4.064 1.00 0.00 C ATOM 204 C ALA A 14 16.073 3.742 -4.862 1.00 0.00 C ATOM 205 O ALA A 14 15.764 4.703 -5.537 1.00 0.00 O ATOM 206 CB ALA A 14 18.559 3.938 -5.013 1.00 0.00 C ATOM 0 H ALA A 14 17.531 1.591 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 14 17.359 4.511 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.452 4.902 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.489 3.924 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.578 3.144 -5.760 1.00 0.00 H new ATOM 212 N ASP A 15 15.301 2.691 -4.791 1.00 0.00 N ATOM 213 CA ASP A 15 14.017 2.656 -5.547 1.00 0.00 C ATOM 214 C ASP A 15 13.459 1.232 -5.540 1.00 0.00 C ATOM 215 O ASP A 15 13.933 0.373 -4.824 1.00 0.00 O ATOM 216 CB ASP A 15 14.263 3.101 -6.990 1.00 0.00 C ATOM 217 CG ASP A 15 15.642 2.619 -7.446 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.844 1.416 -7.480 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.470 3.460 -7.752 1.00 0.00 O ATOM 0 H ASP A 15 15.504 1.856 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 15 13.300 3.329 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.490 2.696 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.204 4.187 -7.062 1.00 0.00 H new ATOM 224 N GLY A 16 12.455 0.975 -6.333 1.00 0.00 N ATOM 225 CA GLY A 16 11.869 -0.395 -6.372 1.00 0.00 C ATOM 226 C GLY A 16 11.073 -0.574 -7.666 1.00 0.00 C ATOM 227 O GLY A 16 11.271 0.137 -8.631 1.00 0.00 O ATOM 0 H GLY A 16 12.015 1.654 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.660 -1.142 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.221 -0.549 -5.510 1.00 0.00 H new ATOM 231 N THR A 17 10.174 -1.519 -7.694 1.00 0.00 N ATOM 232 CA THR A 17 9.366 -1.743 -8.925 1.00 0.00 C ATOM 233 C THR A 17 7.988 -2.268 -8.528 1.00 0.00 C ATOM 234 O THR A 17 7.749 -2.600 -7.387 1.00 0.00 O ATOM 235 CB THR A 17 10.069 -2.771 -9.816 1.00 0.00 C ATOM 236 OG1 THR A 17 11.452 -2.804 -9.497 1.00 0.00 O ATOM 237 CG2 THR A 17 9.891 -2.385 -11.285 1.00 0.00 C ATOM 0 H THR A 17 9.964 -2.146 -6.917 1.00 0.00 H new ATOM 0 HA THR A 17 9.258 -0.806 -9.472 1.00 0.00 H new ATOM 0 HB THR A 17 9.633 -3.756 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.903 -3.463 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.392 -3.118 -11.917 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.829 -2.361 -11.529 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.325 -1.400 -11.458 1.00 0.00 H new ATOM 245 N VAL A 18 7.076 -2.348 -9.457 1.00 0.00 N ATOM 246 CA VAL A 18 5.718 -2.857 -9.116 1.00 0.00 C ATOM 247 C VAL A 18 5.712 -4.384 -9.199 1.00 0.00 C ATOM 248 O VAL A 18 6.662 -4.994 -9.651 1.00 0.00 O ATOM 249 CB VAL A 18 4.695 -2.285 -10.099 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.286 -2.465 -9.531 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.972 -0.795 -10.311 1.00 0.00 C ATOM 0 H VAL A 18 7.211 -2.084 -10.433 1.00 0.00 H new ATOM 0 HA VAL A 18 5.457 -2.548 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 18 4.773 -2.809 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.557 -2.058 -10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.088 -3.526 -9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.208 -1.940 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.244 -0.386 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.893 -0.271 -9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.976 -0.665 -10.715 1.00 0.00 H new ATOM 261 N ALA A 19 4.650 -5.008 -8.768 1.00 0.00 N ATOM 262 CA ALA A 19 4.589 -6.496 -8.823 1.00 0.00 C ATOM 263 C ALA A 19 3.423 -6.926 -9.717 1.00 0.00 C ATOM 264 O ALA A 19 3.615 -7.369 -10.832 1.00 0.00 O ATOM 265 CB ALA A 19 4.383 -7.052 -7.413 1.00 0.00 C ATOM 0 H ALA A 19 3.823 -4.553 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 19 5.523 -6.882 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.338 -8.140 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.213 -6.747 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.450 -6.666 -7.002 1.00 0.00 H new ATOM 271 N THR A 20 2.215 -6.799 -9.240 1.00 0.00 N ATOM 272 CA THR A 20 1.043 -7.203 -10.066 1.00 0.00 C ATOM 273 C THR A 20 -0.221 -6.527 -9.530 1.00 0.00 C ATOM 274 O THR A 20 -0.486 -6.538 -8.344 1.00 0.00 O ATOM 275 CB THR A 20 0.874 -8.723 -10.002 1.00 0.00 C ATOM 276 OG1 THR A 20 2.012 -9.348 -10.580 1.00 0.00 O ATOM 277 CG2 THR A 20 -0.382 -9.133 -10.771 1.00 0.00 C ATOM 0 H THR A 20 1.989 -6.433 -8.315 1.00 0.00 H new ATOM 0 HA THR A 20 1.206 -6.897 -11.099 1.00 0.00 H new ATOM 0 HB THR A 20 0.776 -9.035 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.545 -8.679 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.500 -10.216 -10.724 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.254 -8.653 -10.326 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.289 -8.823 -11.812 1.00 0.00 H new ATOM 285 N TRP A 21 -1.004 -5.941 -10.393 1.00 0.00 N ATOM 286 CA TRP A 21 -2.246 -5.270 -9.940 1.00 0.00 C ATOM 287 C TRP A 21 -3.401 -6.274 -9.956 1.00 0.00 C ATOM 288 O TRP A 21 -4.173 -6.330 -10.893 1.00 0.00 O ATOM 289 CB TRP A 21 -2.553 -4.119 -10.893 1.00 0.00 C ATOM 290 CG TRP A 21 -1.912 -2.867 -10.391 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.729 -2.368 -10.823 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.394 -1.946 -9.371 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.459 -1.200 -10.131 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.452 -0.902 -9.230 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.545 -1.915 -8.562 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.639 0.135 -8.324 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.741 -0.868 -7.643 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.788 0.156 -7.525 1.00 0.00 C ATOM 0 H TRP A 21 -0.832 -5.900 -11.398 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.119 -4.889 -8.927 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.185 -4.353 -11.892 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.631 -3.980 -10.975 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.100 -2.809 -11.582 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.375 -0.630 -10.273 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.282 -2.700 -8.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.902 0.920 -8.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.627 -0.852 -7.026 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.941 0.959 -6.819 1.00 0.00 H new ATOM 309 N HIS A 22 -3.519 -7.071 -8.929 1.00 0.00 N ATOM 310 CA HIS A 22 -4.628 -8.081 -8.890 1.00 0.00 C ATOM 311 C HIS A 22 -5.924 -7.435 -9.383 1.00 0.00 C ATOM 312 O HIS A 22 -6.542 -7.897 -10.322 1.00 0.00 O ATOM 313 CB HIS A 22 -4.843 -8.600 -7.460 1.00 0.00 C ATOM 314 CG HIS A 22 -3.546 -8.561 -6.709 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.081 -7.398 -6.123 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.581 -9.510 -6.484 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.883 -7.667 -5.589 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.528 -8.942 -5.774 1.00 0.00 N ATOM 0 H HIS A 22 -2.902 -7.071 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.354 -8.917 -9.533 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.589 -7.990 -6.950 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.229 -9.619 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.631 -10.539 -6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.276 -6.940 -5.070 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.671 -9.399 -5.462 1.00 0.00 H new ATOM 326 N LYS A 23 -6.342 -6.370 -8.756 1.00 0.00 N ATOM 327 CA LYS A 23 -7.600 -5.698 -9.186 1.00 0.00 C ATOM 328 C LYS A 23 -7.263 -4.446 -9.999 1.00 0.00 C ATOM 329 O LYS A 23 -6.152 -3.955 -9.970 1.00 0.00 O ATOM 330 CB LYS A 23 -8.415 -5.301 -7.953 1.00 0.00 C ATOM 331 CG LYS A 23 -9.755 -6.038 -7.967 1.00 0.00 C ATOM 332 CD LYS A 23 -9.508 -7.548 -7.961 1.00 0.00 C ATOM 333 CE LYS A 23 -10.589 -8.245 -8.788 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.820 -8.406 -7.963 1.00 0.00 N ATOM 0 H LYS A 23 -5.867 -5.936 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.182 -6.383 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.863 -5.545 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.581 -4.224 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.348 -5.752 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.328 -5.756 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.523 -7.768 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.518 -7.925 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.811 -7.661 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.233 -9.219 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.555 -8.880 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.603 -8.980 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.162 -7.471 -7.664 1.00 0.00 H new ATOM 348 N LYS A 24 -8.216 -3.926 -10.722 1.00 0.00 N ATOM 349 CA LYS A 24 -7.956 -2.705 -11.537 1.00 0.00 C ATOM 350 C LYS A 24 -8.795 -1.546 -10.988 1.00 0.00 C ATOM 351 O LYS A 24 -9.704 -1.759 -10.211 1.00 0.00 O ATOM 352 CB LYS A 24 -8.344 -2.971 -12.996 1.00 0.00 C ATOM 353 CG LYS A 24 -8.148 -4.453 -13.321 1.00 0.00 C ATOM 354 CD LYS A 24 -8.078 -4.639 -14.838 1.00 0.00 C ATOM 355 CE LYS A 24 -8.115 -6.130 -15.173 1.00 0.00 C ATOM 356 NZ LYS A 24 -8.164 -6.306 -16.653 1.00 0.00 N ATOM 0 H LYS A 24 -9.165 -4.294 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.898 -2.449 -11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.383 -2.687 -13.164 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.735 -2.359 -13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.233 -4.820 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.971 -5.038 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.913 -4.127 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.164 -4.191 -15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.234 -6.627 -14.766 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.986 -6.596 -14.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.189 -7.320 -16.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.017 -5.845 -17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.320 -5.875 -17.082 1.00 0.00 H new ATOM 370 N PRO A 25 -8.463 -0.353 -11.409 1.00 0.00 N ATOM 371 CA PRO A 25 -9.170 0.865 -10.977 1.00 0.00 C ATOM 372 C PRO A 25 -10.511 0.992 -11.707 1.00 0.00 C ATOM 373 O PRO A 25 -10.568 1.376 -12.859 1.00 0.00 O ATOM 374 CB PRO A 25 -8.218 1.995 -11.376 1.00 0.00 C ATOM 375 CG PRO A 25 -7.312 1.426 -12.494 1.00 0.00 C ATOM 376 CD PRO A 25 -7.356 -0.107 -12.356 1.00 0.00 C ATOM 0 HA PRO A 25 -9.404 0.871 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.773 2.864 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.624 2.322 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.667 1.737 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.292 1.795 -12.392 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.539 -0.588 -13.317 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.413 -0.500 -11.977 1.00 0.00 H new ATOM 384 N GLY A 26 -11.588 0.670 -11.046 1.00 0.00 N ATOM 385 CA GLY A 26 -12.923 0.769 -11.699 1.00 0.00 C ATOM 386 C GLY A 26 -13.822 -0.360 -11.194 1.00 0.00 C ATOM 387 O GLY A 26 -15.021 -0.349 -11.394 1.00 0.00 O ATOM 0 H GLY A 26 -11.601 0.342 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.377 1.735 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.816 0.706 -12.782 1.00 0.00 H new ATOM 391 N GLU A 27 -13.254 -1.336 -10.540 1.00 0.00 N ATOM 392 CA GLU A 27 -14.076 -2.466 -10.022 1.00 0.00 C ATOM 393 C GLU A 27 -14.420 -2.216 -8.553 1.00 0.00 C ATOM 394 O GLU A 27 -14.163 -1.156 -8.017 1.00 0.00 O ATOM 395 CB GLU A 27 -13.285 -3.770 -10.146 1.00 0.00 C ATOM 396 CG GLU A 27 -13.008 -4.063 -11.622 1.00 0.00 C ATOM 397 CD GLU A 27 -14.188 -4.830 -12.221 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.798 -5.598 -11.495 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.460 -4.637 -13.394 1.00 0.00 O ATOM 0 H GLU A 27 -12.255 -1.400 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.996 -2.542 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.346 -3.691 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.846 -4.591 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.853 -3.131 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.093 -4.647 -11.722 1.00 0.00 H new ATOM 406 N ALA A 28 -15.003 -3.182 -7.898 1.00 0.00 N ATOM 407 CA ALA A 28 -15.364 -2.999 -6.464 1.00 0.00 C ATOM 408 C ALA A 28 -14.270 -3.602 -5.580 1.00 0.00 C ATOM 409 O ALA A 28 -13.469 -4.401 -6.025 1.00 0.00 O ATOM 410 CB ALA A 28 -16.693 -3.700 -6.179 1.00 0.00 C ATOM 0 H ALA A 28 -15.245 -4.090 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.460 -1.935 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.957 -3.566 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.473 -3.270 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.597 -4.764 -6.396 1.00 0.00 H new ATOM 416 N VAL A 29 -14.230 -3.228 -4.330 1.00 0.00 N ATOM 417 CA VAL A 29 -13.189 -3.780 -3.420 1.00 0.00 C ATOM 418 C VAL A 29 -13.817 -4.102 -2.062 1.00 0.00 C ATOM 419 O VAL A 29 -14.801 -3.508 -1.666 1.00 0.00 O ATOM 420 CB VAL A 29 -12.074 -2.750 -3.234 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.938 -3.366 -2.417 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.542 -2.324 -4.604 1.00 0.00 C ATOM 0 H VAL A 29 -14.874 -2.564 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.774 -4.690 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.468 -1.880 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.144 -2.631 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.316 -3.671 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.543 -4.236 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.747 -1.590 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.149 -3.195 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.351 -1.883 -5.187 1.00 0.00 H new ATOM 432 N LYS A 30 -13.257 -5.038 -1.344 1.00 0.00 N ATOM 433 CA LYS A 30 -13.824 -5.395 -0.013 1.00 0.00 C ATOM 434 C LYS A 30 -12.724 -5.321 1.047 1.00 0.00 C ATOM 435 O LYS A 30 -11.609 -5.753 0.830 1.00 0.00 O ATOM 436 CB LYS A 30 -14.387 -6.817 -0.065 1.00 0.00 C ATOM 437 CG LYS A 30 -15.706 -6.873 0.710 1.00 0.00 C ATOM 438 CD LYS A 30 -16.858 -7.137 -0.260 1.00 0.00 C ATOM 439 CE LYS A 30 -17.927 -7.981 0.434 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.849 -8.554 -0.588 1.00 0.00 N ATOM 0 H LYS A 30 -12.432 -5.570 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.621 -4.697 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.548 -7.118 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.671 -7.519 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.664 -7.659 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.870 -5.934 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.287 -6.193 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.490 -7.654 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.458 -8.782 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.486 -7.369 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.576 -9.128 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -19.305 -7.782 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.309 -9.152 -1.246 1.00 0.00 H new ATOM 454 N ARG A 31 -13.028 -4.773 2.192 1.00 0.00 N ATOM 455 CA ARG A 31 -12.003 -4.668 3.267 1.00 0.00 C ATOM 456 C ARG A 31 -11.217 -5.978 3.358 1.00 0.00 C ATOM 457 O ARG A 31 -11.748 -7.048 3.136 1.00 0.00 O ATOM 458 CB ARG A 31 -12.694 -4.394 4.605 1.00 0.00 C ATOM 459 CG ARG A 31 -11.640 -4.269 5.708 1.00 0.00 C ATOM 460 CD ARG A 31 -12.200 -4.829 7.016 1.00 0.00 C ATOM 461 NE ARG A 31 -12.714 -3.710 7.855 1.00 0.00 N ATOM 462 CZ ARG A 31 -13.927 -3.263 7.677 1.00 0.00 C ATOM 463 NH1 ARG A 31 -14.924 -4.100 7.594 1.00 0.00 N ATOM 464 NH2 ARG A 31 -14.142 -1.980 7.582 1.00 0.00 N ATOM 0 H ARG A 31 -13.944 -4.393 2.429 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.319 -3.851 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.281 -3.477 4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.388 -5.201 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.737 -4.810 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.358 -3.224 5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.001 -5.539 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.423 -5.374 7.553 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.117 -3.293 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.755 -5.103 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.872 -3.751 7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.362 -1.326 7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.090 -1.631 7.443 1.00 0.00 H new ATOM 478 N ASP A 32 -9.955 -5.902 3.680 1.00 0.00 N ATOM 479 CA ASP A 32 -9.137 -7.144 3.785 1.00 0.00 C ATOM 480 C ASP A 32 -8.973 -7.765 2.398 1.00 0.00 C ATOM 481 O ASP A 32 -9.007 -8.969 2.238 1.00 0.00 O ATOM 482 CB ASP A 32 -9.839 -8.140 4.711 1.00 0.00 C ATOM 483 CG ASP A 32 -8.798 -9.058 5.355 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.432 -10.039 4.727 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.385 -8.766 6.465 1.00 0.00 O ATOM 0 H ASP A 32 -9.455 -5.035 3.875 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.156 -6.900 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.396 -7.607 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.561 -8.730 4.147 1.00 0.00 H new ATOM 490 N GLU A 33 -8.795 -6.954 1.391 1.00 0.00 N ATOM 491 CA GLU A 33 -8.629 -7.500 0.014 1.00 0.00 C ATOM 492 C GLU A 33 -7.363 -6.917 -0.616 1.00 0.00 C ATOM 493 O GLU A 33 -7.260 -5.728 -0.838 1.00 0.00 O ATOM 494 CB GLU A 33 -9.844 -7.121 -0.836 1.00 0.00 C ATOM 495 CG GLU A 33 -9.562 -7.445 -2.304 1.00 0.00 C ATOM 496 CD GLU A 33 -9.497 -8.962 -2.488 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.547 -9.582 -2.509 1.00 0.00 O ATOM 498 OE2 GLU A 33 -8.397 -9.479 -2.605 1.00 0.00 O ATOM 0 H GLU A 33 -8.757 -5.937 1.462 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.544 -8.586 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.724 -7.666 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.063 -6.059 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.343 -7.024 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.621 -6.990 -2.614 1.00 0.00 H new ATOM 505 N LEU A 34 -6.397 -7.747 -0.905 1.00 0.00 N ATOM 506 CA LEU A 34 -5.138 -7.245 -1.519 1.00 0.00 C ATOM 507 C LEU A 34 -5.474 -6.229 -2.613 1.00 0.00 C ATOM 508 O LEU A 34 -6.588 -6.164 -3.092 1.00 0.00 O ATOM 509 CB LEU A 34 -4.368 -8.418 -2.126 1.00 0.00 C ATOM 510 CG LEU A 34 -3.023 -7.925 -2.661 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.237 -7.257 -1.531 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.225 -9.114 -3.202 1.00 0.00 C ATOM 0 H LEU A 34 -6.427 -8.753 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.525 -6.764 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.211 -9.191 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.948 -8.870 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.192 -7.204 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.278 -6.906 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.805 -6.411 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.067 -7.977 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.266 -8.765 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.056 -9.834 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.784 -9.591 -4.007 1.00 0.00 H new ATOM 524 N ILE A 35 -4.519 -5.434 -3.012 1.00 0.00 N ATOM 525 CA ILE A 35 -4.787 -4.424 -4.075 1.00 0.00 C ATOM 526 C ILE A 35 -3.641 -4.427 -5.087 1.00 0.00 C ATOM 527 O ILE A 35 -3.856 -4.465 -6.283 1.00 0.00 O ATOM 528 CB ILE A 35 -4.904 -3.036 -3.442 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.178 -2.969 -2.596 1.00 0.00 C ATOM 530 CG2 ILE A 35 -4.967 -1.976 -4.542 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.399 -3.181 -3.494 1.00 0.00 C ATOM 0 H ILE A 35 -3.566 -5.440 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.719 -4.673 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.036 -2.851 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.150 -3.730 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.245 -2.003 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.050 -0.987 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.061 -2.024 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.835 -2.160 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.306 -3.133 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.429 -2.403 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.333 -4.158 -3.974 1.00 0.00 H new ATOM 543 N VAL A 36 -2.423 -4.388 -4.621 1.00 0.00 N ATOM 544 CA VAL A 36 -1.267 -4.388 -5.560 1.00 0.00 C ATOM 545 C VAL A 36 -0.004 -4.830 -4.817 1.00 0.00 C ATOM 546 O VAL A 36 0.300 -4.344 -3.747 1.00 0.00 O ATOM 547 CB VAL A 36 -1.064 -2.979 -6.120 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.708 -2.021 -4.981 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.074 -2.997 -7.144 1.00 0.00 C ATOM 0 H VAL A 36 -2.179 -4.356 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.466 -5.079 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.983 -2.645 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.564 -1.018 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.517 -2.007 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.211 -2.355 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.220 -1.993 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.992 -3.332 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.178 -3.678 -7.957 1.00 0.00 H new ATOM 559 N ASP A 37 0.732 -5.750 -5.378 1.00 0.00 N ATOM 560 CA ASP A 37 1.974 -6.223 -4.705 1.00 0.00 C ATOM 561 C ASP A 37 3.159 -5.369 -5.161 1.00 0.00 C ATOM 562 O ASP A 37 3.178 -4.855 -6.262 1.00 0.00 O ATOM 563 CB ASP A 37 2.227 -7.687 -5.074 1.00 0.00 C ATOM 564 CG ASP A 37 1.531 -8.597 -4.060 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.856 -8.503 -2.888 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.686 -9.373 -4.474 1.00 0.00 O ATOM 0 H ASP A 37 0.527 -6.194 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 37 1.858 -6.135 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.853 -7.890 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.298 -7.890 -5.086 1.00 0.00 H new ATOM 571 N ILE A 38 4.148 -5.214 -4.325 1.00 0.00 N ATOM 572 CA ILE A 38 5.330 -4.395 -4.712 1.00 0.00 C ATOM 573 C ILE A 38 6.588 -5.266 -4.679 1.00 0.00 C ATOM 574 O ILE A 38 6.647 -6.260 -3.983 1.00 0.00 O ATOM 575 CB ILE A 38 5.488 -3.232 -3.732 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.197 -2.411 -3.703 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.647 -2.340 -4.179 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.337 -1.273 -2.690 1.00 0.00 C ATOM 0 H ILE A 38 4.188 -5.620 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 38 5.186 -4.004 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 38 5.694 -3.623 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.989 -2.006 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.354 -3.048 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.759 -1.511 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.568 -2.923 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.442 -1.949 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.417 -0.689 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.525 -1.688 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.169 -0.630 -2.978 1.00 0.00 H new ATOM 590 N GLU A 39 7.594 -4.901 -5.424 1.00 0.00 N ATOM 591 CA GLU A 39 8.845 -5.710 -5.433 1.00 0.00 C ATOM 592 C GLU A 39 10.046 -4.798 -5.175 1.00 0.00 C ATOM 593 O GLU A 39 10.008 -3.614 -5.446 1.00 0.00 O ATOM 594 CB GLU A 39 9.004 -6.389 -6.796 1.00 0.00 C ATOM 595 CG GLU A 39 9.343 -5.339 -7.855 1.00 0.00 C ATOM 596 CD GLU A 39 9.723 -6.036 -9.162 1.00 0.00 C ATOM 597 OE1 GLU A 39 10.749 -6.694 -9.183 1.00 0.00 O ATOM 598 OE2 GLU A 39 8.980 -5.899 -10.120 1.00 0.00 O ATOM 0 H GLU A 39 7.604 -4.078 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 39 8.791 -6.469 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.792 -7.141 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.084 -6.908 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.489 -4.681 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.167 -4.713 -7.511 1.00 0.00 H new ATOM 605 N THR A 40 11.112 -5.339 -4.653 1.00 0.00 N ATOM 606 CA THR A 40 12.313 -4.502 -4.377 1.00 0.00 C ATOM 607 C THR A 40 13.577 -5.302 -4.703 1.00 0.00 C ATOM 608 O THR A 40 13.514 -6.466 -5.044 1.00 0.00 O ATOM 609 CB THR A 40 12.329 -4.103 -2.899 1.00 0.00 C ATOM 610 OG1 THR A 40 11.008 -4.161 -2.381 1.00 0.00 O ATOM 611 CG2 THR A 40 12.872 -2.679 -2.761 1.00 0.00 C ATOM 0 H THR A 40 11.203 -6.324 -4.406 1.00 0.00 H new ATOM 0 HA THR A 40 12.280 -3.605 -4.995 1.00 0.00 H new ATOM 0 HB THR A 40 12.968 -4.789 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.877 -5.012 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.884 -2.394 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.886 -2.636 -3.160 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.234 -1.991 -3.316 1.00 0.00 H new ATOM 619 N ASP A 41 14.723 -4.685 -4.603 1.00 0.00 N ATOM 620 CA ASP A 41 15.990 -5.405 -4.907 1.00 0.00 C ATOM 621 C ASP A 41 15.945 -6.806 -4.294 1.00 0.00 C ATOM 622 O ASP A 41 16.026 -7.801 -4.988 1.00 0.00 O ATOM 623 CB ASP A 41 17.171 -4.629 -4.321 1.00 0.00 C ATOM 624 CG ASP A 41 18.344 -4.665 -5.301 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.361 -5.549 -6.141 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.205 -3.807 -5.196 1.00 0.00 O ATOM 0 H ASP A 41 14.835 -3.711 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 41 16.109 -5.487 -5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.880 -3.597 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.468 -5.064 -3.367 1.00 0.00 H new ATOM 631 N LYS A 42 15.817 -6.892 -2.999 1.00 0.00 N ATOM 632 CA LYS A 42 15.768 -8.230 -2.342 1.00 0.00 C ATOM 633 C LYS A 42 14.698 -8.222 -1.248 1.00 0.00 C ATOM 634 O LYS A 42 14.857 -8.830 -0.207 1.00 0.00 O ATOM 635 CB LYS A 42 17.130 -8.544 -1.721 1.00 0.00 C ATOM 636 CG LYS A 42 18.066 -9.099 -2.797 1.00 0.00 C ATOM 637 CD LYS A 42 19.123 -9.992 -2.144 1.00 0.00 C ATOM 638 CE LYS A 42 20.318 -10.144 -3.087 1.00 0.00 C ATOM 639 NZ LYS A 42 21.582 -9.959 -2.319 1.00 0.00 N ATOM 0 H LYS A 42 15.744 -6.095 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 42 15.524 -8.990 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.558 -7.643 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.016 -9.268 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.496 -9.669 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.547 -8.281 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.446 -9.558 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.698 -10.970 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.304 -11.129 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.257 -9.410 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.395 -10.062 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.594 -9.010 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.640 -10.676 -1.568 1.00 0.00 H new ATOM 653 N VAL A 43 13.610 -7.539 -1.474 1.00 0.00 N ATOM 654 CA VAL A 43 12.532 -7.493 -0.445 1.00 0.00 C ATOM 655 C VAL A 43 11.172 -7.387 -1.137 1.00 0.00 C ATOM 656 O VAL A 43 10.951 -6.525 -1.964 1.00 0.00 O ATOM 657 CB VAL A 43 12.741 -6.277 0.458 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.596 -6.187 1.468 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.069 -6.420 1.205 1.00 0.00 C ATOM 0 H VAL A 43 13.420 -7.011 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 43 12.564 -8.401 0.156 1.00 0.00 H new ATOM 0 HB VAL A 43 12.760 -5.373 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.746 -5.320 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.650 -6.086 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.576 -7.091 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.219 -5.554 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.049 -7.325 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.886 -6.484 0.486 1.00 0.00 H new ATOM 669 N VAL A 44 10.258 -8.258 -0.805 1.00 0.00 N ATOM 670 CA VAL A 44 8.913 -8.207 -1.444 1.00 0.00 C ATOM 671 C VAL A 44 7.913 -7.570 -0.477 1.00 0.00 C ATOM 672 O VAL A 44 8.064 -7.647 0.727 1.00 0.00 O ATOM 673 CB VAL A 44 8.457 -9.626 -1.788 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.363 -9.567 -2.855 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.646 -10.426 -2.322 1.00 0.00 C ATOM 0 H VAL A 44 10.385 -9.002 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 44 8.966 -7.612 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 44 8.065 -10.109 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.039 -10.578 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.516 -8.996 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.754 -9.085 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.323 -11.438 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.037 -9.943 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.426 -10.469 -1.562 1.00 0.00 H new ATOM 685 N MET A 45 6.892 -6.942 -0.992 1.00 0.00 N ATOM 686 CA MET A 45 5.884 -6.302 -0.100 1.00 0.00 C ATOM 687 C MET A 45 4.487 -6.489 -0.693 1.00 0.00 C ATOM 688 O MET A 45 4.326 -7.024 -1.773 1.00 0.00 O ATOM 689 CB MET A 45 6.190 -4.808 0.026 1.00 0.00 C ATOM 690 CG MET A 45 7.216 -4.588 1.137 1.00 0.00 C ATOM 691 SD MET A 45 6.434 -3.720 2.519 1.00 0.00 S ATOM 692 CE MET A 45 7.579 -2.320 2.586 1.00 0.00 C ATOM 0 H MET A 45 6.712 -6.844 -1.991 1.00 0.00 H new ATOM 0 HA MET A 45 5.925 -6.765 0.886 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.574 -4.424 -0.919 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.276 -4.256 0.246 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.614 -5.545 1.474 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.058 -4.008 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.279 -1.643 3.386 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.588 -2.684 2.778 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.560 -1.789 1.634 1.00 0.00 H new ATOM 702 N GLU A 46 3.474 -6.051 0.001 1.00 0.00 N ATOM 703 CA GLU A 46 2.087 -6.203 -0.524 1.00 0.00 C ATOM 704 C GLU A 46 1.273 -4.953 -0.185 1.00 0.00 C ATOM 705 O GLU A 46 1.505 -4.301 0.813 1.00 0.00 O ATOM 706 CB GLU A 46 1.431 -7.429 0.116 1.00 0.00 C ATOM 707 CG GLU A 46 1.633 -7.383 1.632 1.00 0.00 C ATOM 708 CD GLU A 46 0.312 -7.702 2.333 1.00 0.00 C ATOM 709 OE1 GLU A 46 -0.449 -6.779 2.572 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.083 -8.866 2.620 1.00 0.00 O ATOM 0 H GLU A 46 3.546 -5.594 0.910 1.00 0.00 H new ATOM 0 HA GLU A 46 2.120 -6.332 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.367 -7.450 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.865 -8.342 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.397 -8.101 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.987 -6.397 1.932 1.00 0.00 H new ATOM 717 N VAL A 47 0.319 -4.614 -1.010 1.00 0.00 N ATOM 718 CA VAL A 47 -0.509 -3.406 -0.735 1.00 0.00 C ATOM 719 C VAL A 47 -1.959 -3.828 -0.489 1.00 0.00 C ATOM 720 O VAL A 47 -2.722 -4.028 -1.413 1.00 0.00 O ATOM 721 CB VAL A 47 -0.449 -2.463 -1.937 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.171 -1.157 -1.598 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.013 -2.162 -2.275 1.00 0.00 C ATOM 0 H VAL A 47 0.078 -5.121 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.125 -2.894 0.147 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.932 -2.934 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.128 -0.485 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.212 -1.369 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.688 -0.685 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.057 -1.490 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.495 -1.690 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.530 -3.091 -2.516 1.00 0.00 H new ATOM 733 N LEU A 48 -2.343 -3.965 0.750 1.00 0.00 N ATOM 734 CA LEU A 48 -3.744 -4.374 1.056 1.00 0.00 C ATOM 735 C LEU A 48 -4.589 -3.131 1.339 1.00 0.00 C ATOM 736 O LEU A 48 -4.086 -2.112 1.770 1.00 0.00 O ATOM 737 CB LEU A 48 -3.751 -5.287 2.284 1.00 0.00 C ATOM 738 CG LEU A 48 -5.188 -5.471 2.777 1.00 0.00 C ATOM 739 CD1 LEU A 48 -5.981 -6.280 1.749 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.175 -6.220 4.112 1.00 0.00 C ATOM 0 H LEU A 48 -1.748 -3.812 1.564 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.161 -4.909 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.315 -6.254 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.137 -4.855 3.074 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.655 -4.495 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.005 -6.411 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.989 -5.750 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.515 -7.256 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.198 -6.352 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.709 -7.196 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.609 -5.646 4.846 1.00 0.00 H new ATOM 752 N ALA A 49 -5.869 -3.204 1.101 1.00 0.00 N ATOM 753 CA ALA A 49 -6.744 -2.027 1.357 1.00 0.00 C ATOM 754 C ALA A 49 -7.135 -1.995 2.836 1.00 0.00 C ATOM 755 O ALA A 49 -7.271 -3.020 3.475 1.00 0.00 O ATOM 756 CB ALA A 49 -8.005 -2.131 0.497 1.00 0.00 C ATOM 0 H ALA A 49 -6.347 -4.029 0.740 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.207 -1.113 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.645 -1.269 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.726 -2.153 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.543 -3.045 0.749 1.00 0.00 H new ATOM 762 N GLU A 50 -7.319 -0.826 3.386 1.00 0.00 N ATOM 763 CA GLU A 50 -7.701 -0.731 4.823 1.00 0.00 C ATOM 764 C GLU A 50 -9.210 -0.500 4.936 1.00 0.00 C ATOM 765 O GLU A 50 -9.707 -0.074 5.960 1.00 0.00 O ATOM 766 CB GLU A 50 -6.956 0.438 5.473 1.00 0.00 C ATOM 767 CG GLU A 50 -6.137 -0.074 6.659 1.00 0.00 C ATOM 768 CD GLU A 50 -6.555 0.671 7.928 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.081 1.765 7.803 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.342 0.135 9.003 1.00 0.00 O ATOM 0 H GLU A 50 -7.221 0.067 2.903 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.436 -1.658 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.301 0.916 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.666 1.194 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.292 -1.145 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.074 0.074 6.471 1.00 0.00 H new ATOM 777 N ALA A 51 -9.942 -0.778 3.892 1.00 0.00 N ATOM 778 CA ALA A 51 -11.417 -0.574 3.942 1.00 0.00 C ATOM 779 C ALA A 51 -12.008 -0.777 2.545 1.00 0.00 C ATOM 780 O ALA A 51 -11.339 -0.596 1.546 1.00 0.00 O ATOM 781 CB ALA A 51 -11.720 0.847 4.422 1.00 0.00 C ATOM 0 H ALA A 51 -9.583 -1.137 3.008 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.859 -1.293 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.799 0.996 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.300 0.992 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.277 1.566 3.733 1.00 0.00 H new ATOM 787 N ASP A 52 -13.255 -1.150 2.467 1.00 0.00 N ATOM 788 CA ASP A 52 -13.887 -1.364 1.134 1.00 0.00 C ATOM 789 C ASP A 52 -13.975 -0.027 0.396 1.00 0.00 C ATOM 790 O ASP A 52 -13.720 1.024 0.950 1.00 0.00 O ATOM 791 CB ASP A 52 -15.287 -1.975 1.330 1.00 0.00 C ATOM 792 CG ASP A 52 -16.240 -1.550 0.206 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.629 -0.395 0.191 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.564 -2.390 -0.618 1.00 0.00 O ATOM 0 H ASP A 52 -13.864 -1.316 3.268 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.287 -2.051 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.212 -3.062 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.692 -1.661 2.292 1.00 0.00 H new ATOM 799 N GLY A 53 -14.336 -0.065 -0.855 1.00 0.00 N ATOM 800 CA GLY A 53 -14.447 1.195 -1.643 1.00 0.00 C ATOM 801 C GLY A 53 -14.172 0.902 -3.118 1.00 0.00 C ATOM 802 O GLY A 53 -14.268 -0.224 -3.565 1.00 0.00 O ATOM 0 H GLY A 53 -14.560 -0.917 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.443 1.623 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.737 1.933 -1.270 1.00 0.00 H new ATOM 806 N VAL A 54 -13.830 1.905 -3.879 1.00 0.00 N ATOM 807 CA VAL A 54 -13.549 1.682 -5.325 1.00 0.00 C ATOM 808 C VAL A 54 -12.283 2.441 -5.722 1.00 0.00 C ATOM 809 O VAL A 54 -12.174 3.635 -5.523 1.00 0.00 O ATOM 810 CB VAL A 54 -14.729 2.188 -6.158 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.333 2.229 -7.635 1.00 0.00 C ATOM 812 CG2 VAL A 54 -15.921 1.244 -5.977 1.00 0.00 C ATOM 0 H VAL A 54 -13.733 2.870 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.406 0.617 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.003 3.190 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.174 2.589 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.484 2.899 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.059 1.227 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.763 1.603 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.645 0.242 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.205 1.214 -4.925 1.00 0.00 H new ATOM 822 N ILE A 55 -11.323 1.759 -6.284 1.00 0.00 N ATOM 823 CA ILE A 55 -10.063 2.441 -6.694 1.00 0.00 C ATOM 824 C ILE A 55 -10.385 3.550 -7.698 1.00 0.00 C ATOM 825 O ILE A 55 -11.467 3.608 -8.247 1.00 0.00 O ATOM 826 CB ILE A 55 -9.121 1.425 -7.335 1.00 0.00 C ATOM 827 CG1 ILE A 55 -8.573 0.500 -6.242 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.967 2.164 -8.019 1.00 0.00 C ATOM 829 CD1 ILE A 55 -7.328 -0.225 -6.752 1.00 0.00 C ATOM 0 H ILE A 55 -11.357 0.758 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.583 2.877 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.656 0.835 -8.079 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.328 1.079 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.333 -0.225 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.293 1.441 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.364 2.827 -8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.422 2.751 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.943 -0.881 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.586 -0.818 -7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.565 0.506 -7.020 1.00 0.00 H new ATOM 841 N ALA A 56 -9.453 4.431 -7.941 1.00 0.00 N ATOM 842 CA ALA A 56 -9.707 5.534 -8.909 1.00 0.00 C ATOM 843 C ALA A 56 -8.977 5.239 -10.221 1.00 0.00 C ATOM 844 O ALA A 56 -9.589 5.000 -11.243 1.00 0.00 O ATOM 845 CB ALA A 56 -9.194 6.852 -8.325 1.00 0.00 C ATOM 0 H ALA A 56 -8.528 4.434 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.777 5.612 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.379 7.660 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.713 7.062 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.123 6.774 -8.136 1.00 0.00 H new ATOM 851 N GLU A 57 -7.672 5.256 -10.202 1.00 0.00 N ATOM 852 CA GLU A 57 -6.904 4.977 -11.447 1.00 0.00 C ATOM 853 C GLU A 57 -5.425 4.794 -11.106 1.00 0.00 C ATOM 854 O GLU A 57 -4.880 5.491 -10.273 1.00 0.00 O ATOM 855 CB GLU A 57 -7.064 6.149 -12.418 1.00 0.00 C ATOM 856 CG GLU A 57 -7.814 5.682 -13.665 1.00 0.00 C ATOM 857 CD GLU A 57 -6.821 5.105 -14.675 1.00 0.00 C ATOM 858 OE1 GLU A 57 -5.637 5.358 -14.522 1.00 0.00 O ATOM 859 OE2 GLU A 57 -7.260 4.421 -15.585 1.00 0.00 O ATOM 0 H GLU A 57 -7.105 5.451 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.283 4.066 -11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.608 6.962 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.085 6.541 -12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.554 4.928 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.357 6.517 -14.109 1.00 0.00 H new ATOM 866 N ILE A 58 -4.769 3.862 -11.743 1.00 0.00 N ATOM 867 CA ILE A 58 -3.325 3.636 -11.454 1.00 0.00 C ATOM 868 C ILE A 58 -2.477 4.438 -12.444 1.00 0.00 C ATOM 869 O ILE A 58 -2.777 4.507 -13.619 1.00 0.00 O ATOM 870 CB ILE A 58 -3.003 2.147 -11.594 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.958 1.334 -10.716 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.562 1.891 -11.151 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.009 1.948 -9.314 1.00 0.00 C ATOM 0 H ILE A 58 -5.171 3.248 -12.451 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.102 3.960 -10.438 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.121 1.847 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.955 1.324 -11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.624 0.298 -10.659 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.334 0.830 -11.251 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.881 2.469 -11.776 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.443 2.191 -10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.689 1.370 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.012 1.935 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.363 2.977 -9.380 1.00 0.00 H new ATOM 885 N VAL A 59 -1.419 5.044 -11.979 1.00 0.00 N ATOM 886 CA VAL A 59 -0.554 5.841 -12.894 1.00 0.00 C ATOM 887 C VAL A 59 0.533 4.939 -13.481 1.00 0.00 C ATOM 888 O VAL A 59 0.878 5.040 -14.642 1.00 0.00 O ATOM 889 CB VAL A 59 0.097 6.984 -12.115 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.793 7.936 -13.089 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.979 7.747 -11.339 1.00 0.00 C ATOM 0 H VAL A 59 -1.116 5.022 -11.005 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.161 6.252 -13.701 1.00 0.00 H new ATOM 0 HB VAL A 59 0.831 6.578 -11.419 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.257 8.751 -12.533 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.558 7.393 -13.644 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.060 8.343 -13.786 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.517 8.563 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.712 8.153 -12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.476 7.070 -10.644 1.00 0.00 H new ATOM 901 N LYS A 60 1.077 4.057 -12.688 1.00 0.00 N ATOM 902 CA LYS A 60 2.137 3.151 -13.196 1.00 0.00 C ATOM 903 C LYS A 60 1.539 1.768 -13.463 1.00 0.00 C ATOM 904 O LYS A 60 0.514 1.409 -12.919 1.00 0.00 O ATOM 905 CB LYS A 60 3.262 3.027 -12.159 1.00 0.00 C ATOM 906 CG LYS A 60 2.776 3.458 -10.770 1.00 0.00 C ATOM 907 CD LYS A 60 1.731 2.462 -10.261 1.00 0.00 C ATOM 908 CE LYS A 60 2.427 1.179 -9.804 1.00 0.00 C ATOM 909 NZ LYS A 60 2.051 0.885 -8.392 1.00 0.00 N ATOM 0 H LYS A 60 0.830 3.927 -11.707 1.00 0.00 H new ATOM 0 HA LYS A 60 2.545 3.561 -14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.615 1.997 -12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.109 3.644 -12.460 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.617 3.505 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.347 4.459 -10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.170 2.898 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.013 2.237 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.140 0.348 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.508 1.289 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.307 -0.096 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.557 1.533 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.026 1.012 -8.272 1.00 0.00 H new ATOM 923 N ASN A 61 2.172 0.990 -14.297 1.00 0.00 N ATOM 924 CA ASN A 61 1.638 -0.369 -14.599 1.00 0.00 C ATOM 925 C ASN A 61 2.646 -1.425 -14.142 1.00 0.00 C ATOM 926 O ASN A 61 3.801 -1.132 -13.903 1.00 0.00 O ATOM 927 CB ASN A 61 1.405 -0.503 -16.106 1.00 0.00 C ATOM 928 CG ASN A 61 -0.017 -0.054 -16.444 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.725 -0.730 -17.164 1.00 0.00 O ATOM 930 ND2 ASN A 61 -0.470 1.067 -15.952 1.00 0.00 N ATOM 0 H ASN A 61 3.035 1.236 -14.782 1.00 0.00 H new ATOM 0 HA ASN A 61 0.695 -0.515 -14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.128 0.103 -16.652 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.555 -1.537 -16.417 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.417 1.375 -16.172 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.123 1.635 -15.347 1.00 0.00 H new ATOM 937 N GLU A 62 2.220 -2.652 -14.018 1.00 0.00 N ATOM 938 CA GLU A 62 3.155 -3.724 -13.577 1.00 0.00 C ATOM 939 C GLU A 62 4.370 -3.754 -14.506 1.00 0.00 C ATOM 940 O GLU A 62 4.243 -3.702 -15.713 1.00 0.00 O ATOM 941 CB GLU A 62 2.442 -5.077 -13.627 1.00 0.00 C ATOM 942 CG GLU A 62 0.993 -4.909 -13.166 1.00 0.00 C ATOM 943 CD GLU A 62 0.055 -5.070 -14.364 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.547 -5.082 -15.480 1.00 0.00 O ATOM 945 OE2 GLU A 62 -1.141 -5.181 -14.144 1.00 0.00 O ATOM 0 H GLU A 62 1.265 -2.958 -14.203 1.00 0.00 H new ATOM 0 HA GLU A 62 3.482 -3.523 -12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.468 -5.476 -14.641 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.957 -5.795 -12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.755 -5.649 -12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.856 -3.927 -12.712 1.00 0.00 H new ATOM 952 N GLY A 63 5.549 -3.838 -13.953 1.00 0.00 N ATOM 953 CA GLY A 63 6.770 -3.870 -14.805 1.00 0.00 C ATOM 954 C GLY A 63 7.418 -2.484 -14.825 1.00 0.00 C ATOM 955 O GLY A 63 8.506 -2.305 -15.336 1.00 0.00 O ATOM 0 H GLY A 63 5.719 -3.886 -12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.475 -4.607 -14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.511 -4.176 -15.819 1.00 0.00 H new ATOM 959 N ASP A 64 6.758 -1.501 -14.276 1.00 0.00 N ATOM 960 CA ASP A 64 7.339 -0.130 -14.266 1.00 0.00 C ATOM 961 C ASP A 64 8.132 0.076 -12.972 1.00 0.00 C ATOM 962 O ASP A 64 8.083 -0.729 -12.062 1.00 0.00 O ATOM 963 CB ASP A 64 6.204 0.904 -14.380 1.00 0.00 C ATOM 964 CG ASP A 64 6.570 2.209 -13.664 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.263 3.016 -14.261 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.149 2.378 -12.531 1.00 0.00 O ATOM 0 H ASP A 64 5.843 -1.589 -13.835 1.00 0.00 H new ATOM 0 HA ASP A 64 8.014 -0.003 -15.112 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.998 1.108 -15.431 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.290 0.494 -13.950 1.00 0.00 H new ATOM 971 N THR A 65 8.861 1.151 -12.892 1.00 0.00 N ATOM 972 CA THR A 65 9.664 1.424 -11.667 1.00 0.00 C ATOM 973 C THR A 65 8.929 2.440 -10.790 1.00 0.00 C ATOM 974 O THR A 65 8.018 3.112 -11.231 1.00 0.00 O ATOM 975 CB THR A 65 11.029 1.986 -12.070 1.00 0.00 C ATOM 976 OG1 THR A 65 11.900 1.961 -10.948 1.00 0.00 O ATOM 977 CG2 THR A 65 10.867 3.427 -12.561 1.00 0.00 C ATOM 0 H THR A 65 8.937 1.857 -13.625 1.00 0.00 H new ATOM 0 HA THR A 65 9.803 0.499 -11.108 1.00 0.00 H new ATOM 0 HB THR A 65 11.450 1.378 -12.871 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.561 1.325 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.840 3.825 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.200 3.445 -13.423 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.446 4.038 -11.763 1.00 0.00 H new ATOM 985 N VAL A 66 9.319 2.558 -9.549 1.00 0.00 N ATOM 986 CA VAL A 66 8.643 3.531 -8.645 1.00 0.00 C ATOM 987 C VAL A 66 9.697 4.378 -7.929 1.00 0.00 C ATOM 988 O VAL A 66 10.651 3.864 -7.379 1.00 0.00 O ATOM 989 CB VAL A 66 7.810 2.772 -7.611 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.801 1.872 -8.328 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.733 1.912 -6.745 1.00 0.00 C ATOM 0 H VAL A 66 10.076 2.023 -9.123 1.00 0.00 H new ATOM 0 HA VAL A 66 7.992 4.180 -9.231 1.00 0.00 H new ATOM 0 HB VAL A 66 7.278 3.484 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.208 1.331 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.143 2.483 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.333 1.160 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.140 1.371 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.265 1.200 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.452 2.552 -6.233 1.00 0.00 H new ATOM 1001 N LEU A 67 9.533 5.673 -7.932 1.00 0.00 N ATOM 1002 CA LEU A 67 10.526 6.550 -7.250 1.00 0.00 C ATOM 1003 C LEU A 67 9.972 6.993 -5.896 1.00 0.00 C ATOM 1004 O LEU A 67 8.786 6.916 -5.644 1.00 0.00 O ATOM 1005 CB LEU A 67 10.796 7.781 -8.117 1.00 0.00 C ATOM 1006 CG LEU A 67 12.150 7.629 -8.814 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.957 6.920 -10.155 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.758 9.012 -9.053 1.00 0.00 C ATOM 0 H LEU A 67 8.755 6.161 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 67 11.454 5.999 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.005 7.897 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.791 8.680 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 67 12.818 7.041 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.921 6.812 -10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.523 5.934 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.289 7.508 -10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.722 8.905 -9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.089 9.600 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.896 9.519 -8.098 1.00 0.00 H new ATOM 1020 N SER A 68 10.821 7.456 -5.019 1.00 0.00 N ATOM 1021 CA SER A 68 10.341 7.903 -3.681 1.00 0.00 C ATOM 1022 C SER A 68 9.328 9.038 -3.854 1.00 0.00 C ATOM 1023 O SER A 68 9.674 10.138 -4.238 1.00 0.00 O ATOM 1024 CB SER A 68 11.527 8.402 -2.855 1.00 0.00 C ATOM 1025 OG SER A 68 11.086 8.707 -1.538 1.00 0.00 O ATOM 0 H SER A 68 11.826 7.544 -5.171 1.00 0.00 H new ATOM 0 HA SER A 68 9.866 7.067 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.308 7.642 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.962 9.287 -3.319 1.00 0.00 H new ATOM 0 HG SER A 68 11.844 9.026 -1.005 1.00 0.00 H new ATOM 1031 N GLY A 69 8.080 8.779 -3.575 1.00 0.00 N ATOM 1032 CA GLY A 69 7.048 9.843 -3.726 1.00 0.00 C ATOM 1033 C GLY A 69 6.303 9.651 -5.047 1.00 0.00 C ATOM 1034 O GLY A 69 5.695 10.566 -5.567 1.00 0.00 O ATOM 0 H GLY A 69 7.731 7.878 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.347 9.804 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.518 10.826 -3.702 1.00 0.00 H new ATOM 1038 N GLU A 70 6.346 8.468 -5.596 1.00 0.00 N ATOM 1039 CA GLU A 70 5.640 8.219 -6.885 1.00 0.00 C ATOM 1040 C GLU A 70 4.168 7.907 -6.609 1.00 0.00 C ATOM 1041 O GLU A 70 3.843 7.125 -5.737 1.00 0.00 O ATOM 1042 CB GLU A 70 6.288 7.032 -7.600 1.00 0.00 C ATOM 1043 CG GLU A 70 5.679 6.882 -8.996 1.00 0.00 C ATOM 1044 CD GLU A 70 6.687 7.352 -10.046 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.557 6.572 -10.395 1.00 0.00 O ATOM 1046 OE2 GLU A 70 6.571 8.486 -10.483 1.00 0.00 O ATOM 0 H GLU A 70 6.839 7.664 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 70 5.711 9.106 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.365 7.183 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.134 6.119 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.408 5.842 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.762 7.467 -9.069 1.00 0.00 H new ATOM 1053 N LEU A 71 3.276 8.511 -7.344 1.00 0.00 N ATOM 1054 CA LEU A 71 1.826 8.248 -7.122 1.00 0.00 C ATOM 1055 C LEU A 71 1.418 6.975 -7.866 1.00 0.00 C ATOM 1056 O LEU A 71 1.627 6.847 -9.057 1.00 0.00 O ATOM 1057 CB LEU A 71 1.007 9.430 -7.645 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.457 9.258 -7.237 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.661 9.806 -5.824 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.351 10.025 -8.215 1.00 0.00 C ATOM 0 H LEU A 71 3.488 9.175 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 71 1.639 8.120 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.400 10.364 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.088 9.490 -8.730 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.718 8.200 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.704 9.683 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.024 9.262 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.400 10.864 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.395 9.903 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.089 11.083 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.206 9.635 -9.223 1.00 0.00 H new ATOM 1072 N LEU A 72 0.839 6.032 -7.175 1.00 0.00 N ATOM 1073 CA LEU A 72 0.419 4.769 -7.844 1.00 0.00 C ATOM 1074 C LEU A 72 -1.082 4.822 -8.138 1.00 0.00 C ATOM 1075 O LEU A 72 -1.580 4.128 -9.002 1.00 0.00 O ATOM 1076 CB LEU A 72 0.717 3.581 -6.927 1.00 0.00 C ATOM 1077 CG LEU A 72 1.986 3.864 -6.120 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.245 2.709 -5.152 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.174 4.003 -7.074 1.00 0.00 C ATOM 0 H LEU A 72 0.639 6.082 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 72 0.969 4.653 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.123 3.408 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.844 2.674 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 72 1.859 4.788 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.149 2.911 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.399 2.607 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.372 1.784 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.079 4.205 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.299 3.078 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.991 4.826 -7.765 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.806 5.641 -7.426 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.274 5.737 -7.665 1.00 0.00 C ATOM 1093 C GLY A 73 -3.958 6.314 -6.424 1.00 0.00 C ATOM 1094 O GLY A 73 -3.338 6.512 -5.398 1.00 0.00 O ATOM 0 H GLY A 73 -1.445 6.248 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.471 6.371 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.681 4.752 -7.892 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.231 6.587 -6.510 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.953 7.151 -5.335 1.00 0.00 C ATOM 1100 C LYS A 74 -7.221 6.335 -5.075 1.00 0.00 C ATOM 1101 O LYS A 74 -7.781 5.738 -5.973 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.331 8.606 -5.619 1.00 0.00 C ATOM 1103 CG LYS A 74 -7.328 8.658 -6.778 1.00 0.00 C ATOM 1104 CD LYS A 74 -7.672 10.115 -7.091 1.00 0.00 C ATOM 1105 CE LYS A 74 -9.051 10.185 -7.749 1.00 0.00 C ATOM 1106 NZ LYS A 74 -9.435 11.611 -7.950 1.00 0.00 N ATOM 0 H LYS A 74 -5.802 6.444 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.308 7.108 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.768 9.060 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.440 9.183 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.903 8.176 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.232 8.107 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.664 10.706 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.919 10.543 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.036 9.663 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.790 9.683 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.373 11.658 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.465 12.095 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.735 12.076 -8.563 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.678 6.304 -3.853 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.910 5.527 -3.538 1.00 0.00 C ATOM 1122 C LEU A 75 -10.120 6.463 -3.550 1.00 0.00 C ATOM 1123 O LEU A 75 -10.003 7.648 -3.304 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.770 4.891 -2.153 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.875 3.852 -1.956 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.704 2.723 -2.976 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -9.785 3.276 -0.541 1.00 0.00 C ATOM 0 H LEU A 75 -7.252 6.783 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.049 4.745 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.792 4.421 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.835 5.657 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.847 4.325 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.492 1.983 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.766 3.131 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.732 2.250 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.572 2.535 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.813 2.804 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.906 4.078 0.187 1.00 0.00 H new ATOM 1139 N THR A 76 -11.282 5.941 -3.832 1.00 0.00 N ATOM 1140 CA THR A 76 -12.499 6.802 -3.859 1.00 0.00 C ATOM 1141 C THR A 76 -13.210 6.722 -2.506 1.00 0.00 C ATOM 1142 O THR A 76 -12.850 5.939 -1.650 1.00 0.00 O ATOM 1143 CB THR A 76 -13.443 6.318 -4.961 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.699 6.082 -6.149 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.509 7.381 -5.226 1.00 0.00 C ATOM 0 H THR A 76 -11.442 4.956 -4.045 1.00 0.00 H new ATOM 0 HA THR A 76 -12.209 7.834 -4.057 1.00 0.00 H new ATOM 0 HB THR A 76 -13.927 5.394 -4.646 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.531 5.121 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.181 7.035 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.079 7.560 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.029 8.307 -5.542 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.219 7.525 -2.307 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.951 7.495 -1.010 1.00 0.00 C ATOM 1155 C GLU A 77 -15.665 6.149 -0.859 1.00 0.00 C ATOM 1156 O GLU A 77 -15.485 5.248 -1.654 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.982 8.625 -0.979 1.00 0.00 C ATOM 1158 CG GLU A 77 -15.277 9.951 -0.690 1.00 0.00 C ATOM 1159 CD GLU A 77 -16.133 10.788 0.263 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -17.011 10.221 0.892 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.894 11.981 0.349 1.00 0.00 O ATOM 0 H GLU A 77 -14.568 8.201 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.244 7.626 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.506 8.680 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.733 8.426 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.298 9.766 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.110 10.496 -1.619 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.473 6.007 0.154 1.00 0.00 N ATOM 1169 CA GLY A 78 -17.198 4.719 0.354 1.00 0.00 C ATOM 1170 C GLY A 78 -18.707 4.968 0.301 1.00 0.00 C ATOM 1171 O GLY A 78 -19.448 4.218 -0.302 1.00 0.00 O ATOM 0 H GLY A 78 -16.663 6.726 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -16.910 4.004 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.925 4.281 1.314 1.00 0.00 H new ATOM 1175 N GLY A 79 -19.167 6.016 0.928 1.00 0.00 N ATOM 1176 CA GLY A 79 -20.628 6.311 0.913 1.00 0.00 C ATOM 1177 C GLY A 79 -20.918 7.504 1.826 1.00 0.00 C ATOM 1178 O GLY A 79 -21.701 8.351 1.429 1.00 0.00 O ATOM 0 H GLY A 79 -18.595 6.680 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -20.955 6.530 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.189 5.439 1.248 1.00 0.00 H new TER 1182 GLY A 79