USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 28 ASN : amide:sc= -3.59 K(o=-10,f=-14!) USER MOD Set 1.2: A 64 ASN : amide:sc= -6.47! C(o=-10!,f=-10!) USER MOD Single : A 3 SER OG : rot -140:sc= 0.0634 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.494 USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.58) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 28:sc= 0.521 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.04 K(o=-1,f=-0.34) USER MOD Single : A 17 SER OG : rot 55:sc= 0.866 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 24 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.7!) USER MOD Single : A 25 MET CE :methyl -166:sc= 0 (180deg=-0.0412) USER MOD Single : A 26 ASN : amide:sc= 0.462 X(o=0.46,f=-0.033) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -50:sc= 1.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.208 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 54 THR OG1 : rot -39:sc= 0.738 USER MOD Single : A 56 SER OG : rot 33:sc= 0.336 USER MOD Single : A 58 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.36) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 67 GLN : amide:sc= 0.0128 X(o=0.013,f=-0.059) USER MOD Single : A 72 TYR OH : rot -137:sc= -2.81! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.79 X(o=-1.8,f=-2) USER MOD Single : A 77 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.470 -3.485 -4.941 1.00 0.00 N ATOM 43 CA SER A 3 5.586 -2.033 -5.002 1.00 0.00 C ATOM 44 C SER A 3 4.992 -1.494 -6.300 1.00 0.00 C ATOM 45 O SER A 3 3.901 -0.924 -6.309 1.00 0.00 O ATOM 46 CB SER A 3 7.053 -1.613 -4.886 1.00 0.00 C ATOM 47 OG SER A 3 7.388 -1.294 -3.547 1.00 0.00 O ATOM 0 HA SER A 3 5.027 -1.613 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.694 -2.419 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.239 -0.751 -5.526 1.00 0.00 H new ATOM 0 HG SER A 3 7.972 -0.507 -3.534 1.00 0.00 H new ATOM 53 N THR A 4 5.719 -1.680 -7.398 1.00 0.00 N ATOM 54 CA THR A 4 5.267 -1.212 -8.702 1.00 0.00 C ATOM 55 C THR A 4 3.955 -1.879 -9.100 1.00 0.00 C ATOM 56 O THR A 4 3.129 -1.283 -9.792 1.00 0.00 O ATOM 57 CB THR A 4 6.320 -1.485 -9.793 1.00 0.00 C ATOM 58 OG1 THR A 4 5.886 -0.932 -11.041 1.00 0.00 O ATOM 59 CG2 THR A 4 6.562 -2.978 -9.950 1.00 0.00 C ATOM 0 H THR A 4 6.623 -2.152 -7.409 1.00 0.00 H new ATOM 0 HA THR A 4 5.114 -0.136 -8.616 1.00 0.00 H new ATOM 0 HB THR A 4 7.255 -1.012 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.622 -0.965 -11.687 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.309 -3.146 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.920 -3.390 -9.006 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.631 -3.470 -10.231 1.00 0.00 H new ATOM 67 N PHE A 5 3.769 -3.119 -8.660 1.00 0.00 N ATOM 68 CA PHE A 5 2.556 -3.867 -8.970 1.00 0.00 C ATOM 69 C PHE A 5 1.313 -3.023 -8.704 1.00 0.00 C ATOM 70 O PHE A 5 0.328 -3.101 -9.438 1.00 0.00 O ATOM 71 CB PHE A 5 2.500 -5.154 -8.144 1.00 0.00 C ATOM 72 CG PHE A 5 2.025 -6.346 -8.924 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.075 -6.204 -9.923 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.529 -7.609 -8.659 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.636 -7.300 -10.642 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.094 -8.708 -9.375 1.00 0.00 C ATOM 77 CZ PHE A 5 1.146 -8.553 -10.368 1.00 0.00 C ATOM 0 H PHE A 5 4.443 -3.627 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 5 2.578 -4.124 -10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.492 -5.363 -7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.839 -5.001 -7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.673 -5.226 -10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.270 -7.736 -7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.105 -7.176 -11.417 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.495 -9.687 -9.159 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.805 -9.411 -10.929 1.00 0.00 H new ATOM 87 N ASP A 6 1.368 -2.217 -7.649 1.00 0.00 N ATOM 88 CA ASP A 6 0.247 -1.358 -7.285 1.00 0.00 C ATOM 89 C ASP A 6 -0.161 -0.471 -8.457 1.00 0.00 C ATOM 90 O ASP A 6 -1.183 -0.707 -9.101 1.00 0.00 O ATOM 91 CB ASP A 6 0.612 -0.493 -6.077 1.00 0.00 C ATOM 92 CG ASP A 6 -0.144 -0.898 -4.827 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.438 -2.101 -4.675 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.442 -0.010 -4.000 1.00 0.00 O ATOM 0 H ASP A 6 2.176 -2.141 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.598 -1.995 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.683 -0.568 -5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.400 0.552 -6.304 1.00 0.00 H new ATOM 99 N ASP A 7 0.644 0.551 -8.727 1.00 0.00 N ATOM 100 CA ASP A 7 0.367 1.474 -9.822 1.00 0.00 C ATOM 101 C ASP A 7 0.208 0.722 -11.139 1.00 0.00 C ATOM 102 O ASP A 7 -0.463 1.194 -12.057 1.00 0.00 O ATOM 103 CB ASP A 7 1.489 2.506 -9.942 1.00 0.00 C ATOM 104 CG ASP A 7 1.080 3.712 -10.766 1.00 0.00 C ATOM 105 OD1 ASP A 7 -0.036 4.228 -10.548 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.877 4.140 -11.627 1.00 0.00 O ATOM 0 H ASP A 7 1.493 0.761 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.568 1.989 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.785 2.834 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.362 2.038 -10.397 1.00 0.00 H new ATOM 111 N ILE A 8 0.829 -0.450 -11.225 1.00 0.00 N ATOM 112 CA ILE A 8 0.755 -1.266 -12.430 1.00 0.00 C ATOM 113 C ILE A 8 -0.609 -1.935 -12.558 1.00 0.00 C ATOM 114 O ILE A 8 -1.082 -2.200 -13.664 1.00 0.00 O ATOM 115 CB ILE A 8 1.849 -2.350 -12.444 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.196 -1.742 -12.839 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.469 -3.474 -13.396 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.349 -2.716 -12.747 1.00 0.00 C ATOM 0 H ILE A 8 1.389 -0.855 -10.475 1.00 0.00 H new ATOM 0 HA ILE A 8 0.909 -0.595 -13.275 1.00 0.00 H new ATOM 0 HB ILE A 8 1.940 -2.766 -11.440 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.130 -1.365 -13.860 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.402 -0.886 -12.196 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.252 -4.232 -13.395 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.529 -3.922 -13.073 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.353 -3.074 -14.403 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.272 -2.216 -13.042 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.442 -3.074 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.166 -3.561 -13.411 1.00 0.00 H new ATOM 130 N LYS A 9 -1.239 -2.205 -11.420 1.00 0.00 N ATOM 131 CA LYS A 9 -2.552 -2.840 -11.403 1.00 0.00 C ATOM 132 C LYS A 9 -3.651 -1.825 -11.697 1.00 0.00 C ATOM 133 O LYS A 9 -4.718 -2.177 -12.200 1.00 0.00 O ATOM 134 CB LYS A 9 -2.803 -3.502 -10.046 1.00 0.00 C ATOM 135 CG LYS A 9 -3.589 -2.632 -9.081 1.00 0.00 C ATOM 136 CD LYS A 9 -3.376 -3.063 -7.640 1.00 0.00 C ATOM 137 CE LYS A 9 -4.538 -2.642 -6.754 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.804 -3.325 -7.138 1.00 0.00 N ATOM 0 H LYS A 9 -0.861 -1.994 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.570 -3.603 -12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.342 -4.436 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.845 -3.758 -9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.286 -1.592 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.650 -2.685 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.258 -4.146 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.452 -2.626 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.303 -2.870 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.673 -1.562 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.426 -3.395 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.281 -2.779 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.590 -4.279 -7.492 1.00 0.00 H new ATOM 152 N LYS A 10 -3.384 -0.562 -11.380 1.00 0.00 N ATOM 153 CA LYS A 10 -4.349 0.506 -11.612 1.00 0.00 C ATOM 154 C LYS A 10 -4.337 0.942 -13.074 1.00 0.00 C ATOM 155 O LYS A 10 -5.360 1.364 -13.614 1.00 0.00 O ATOM 156 CB LYS A 10 -4.043 1.703 -10.710 1.00 0.00 C ATOM 157 CG LYS A 10 -3.095 2.711 -11.337 1.00 0.00 C ATOM 158 CD LYS A 10 -3.850 3.789 -12.096 1.00 0.00 C ATOM 159 CE LYS A 10 -4.274 4.925 -11.177 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.954 6.019 -11.924 1.00 0.00 N ATOM 0 H LYS A 10 -2.507 -0.253 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.341 0.123 -11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.977 2.204 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.611 1.343 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.486 3.171 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.413 2.198 -12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.221 4.181 -12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.731 3.354 -12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.944 4.539 -10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.398 5.324 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.227 6.774 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.307 6.405 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.804 5.644 -12.391 1.00 0.00 H new ATOM 174 N ILE A 11 -3.175 0.834 -13.709 1.00 0.00 N ATOM 175 CA ILE A 11 -3.032 1.215 -15.109 1.00 0.00 C ATOM 176 C ILE A 11 -3.529 0.109 -16.033 1.00 0.00 C ATOM 177 O ILE A 11 -4.141 0.378 -17.067 1.00 0.00 O ATOM 178 CB ILE A 11 -1.567 1.540 -15.457 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.665 0.351 -15.121 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.110 2.786 -14.714 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.793 0.587 -15.449 1.00 0.00 C ATOM 0 H ILE A 11 -2.319 0.486 -13.277 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.639 2.108 -15.257 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.497 1.734 -16.527 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.758 0.123 -14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.015 -0.525 -15.667 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.073 3.003 -14.970 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.738 3.630 -14.999 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.191 2.619 -13.640 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.373 -0.297 -15.185 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.899 0.785 -16.516 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.159 1.444 -14.883 1.00 0.00 H new ATOM 193 N ILE A 12 -3.264 -1.136 -15.652 1.00 0.00 N ATOM 194 CA ILE A 12 -3.687 -2.284 -16.445 1.00 0.00 C ATOM 195 C ILE A 12 -5.180 -2.547 -16.278 1.00 0.00 C ATOM 196 O ILE A 12 -5.844 -3.022 -17.200 1.00 0.00 O ATOM 197 CB ILE A 12 -2.908 -3.554 -16.058 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.183 -3.923 -14.599 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.417 -3.351 -16.286 1.00 0.00 C ATOM 200 CD1 ILE A 12 -4.091 -5.123 -14.440 1.00 0.00 C ATOM 0 H ILE A 12 -2.758 -1.376 -14.799 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.477 -2.042 -17.487 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.245 -4.375 -16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.236 -4.125 -14.099 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.633 -3.068 -14.095 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.880 -4.258 -16.008 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.237 -3.131 -17.338 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.066 -2.519 -15.676 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.242 -5.327 -13.380 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.052 -4.917 -14.911 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.633 -5.991 -14.915 1.00 0.00 H new ATOM 212 N SER A 13 -5.703 -2.232 -15.097 1.00 0.00 N ATOM 213 CA SER A 13 -7.118 -2.435 -14.809 1.00 0.00 C ATOM 214 C SER A 13 -7.972 -1.382 -15.507 1.00 0.00 C ATOM 215 O SER A 13 -9.047 -1.681 -16.027 1.00 0.00 O ATOM 216 CB SER A 13 -7.364 -2.389 -13.300 1.00 0.00 C ATOM 217 OG SER A 13 -8.749 -2.324 -13.011 1.00 0.00 O ATOM 0 H SER A 13 -5.168 -1.835 -14.324 1.00 0.00 H new ATOM 0 HA SER A 13 -7.403 -3.417 -15.187 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.933 -3.273 -12.831 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.859 -1.523 -12.872 1.00 0.00 H new ATOM 0 HG SER A 13 -9.254 -2.752 -13.733 1.00 0.00 H new ATOM 223 N LYS A 14 -7.485 -0.146 -15.516 1.00 0.00 N ATOM 224 CA LYS A 14 -8.201 0.955 -16.151 1.00 0.00 C ATOM 225 C LYS A 14 -8.001 0.933 -17.663 1.00 0.00 C ATOM 226 O LYS A 14 -8.831 1.444 -18.415 1.00 0.00 O ATOM 227 CB LYS A 14 -7.727 2.294 -15.583 1.00 0.00 C ATOM 228 CG LYS A 14 -6.342 2.700 -16.056 1.00 0.00 C ATOM 229 CD LYS A 14 -6.413 3.736 -17.165 1.00 0.00 C ATOM 230 CE LYS A 14 -5.991 5.111 -16.671 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.895 6.183 -17.174 1.00 0.00 N ATOM 0 H LYS A 14 -6.597 0.119 -15.090 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.264 0.834 -15.940 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.439 3.070 -15.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.728 2.238 -14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.773 3.102 -15.217 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.806 1.820 -16.412 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.770 3.432 -17.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.430 3.784 -17.555 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.988 5.120 -15.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.970 5.315 -16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.574 7.105 -16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.879 6.191 -18.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.865 6.002 -16.845 1.00 0.00 H new ATOM 245 N GLN A 15 -6.896 0.337 -18.101 1.00 0.00 N ATOM 246 CA GLN A 15 -6.590 0.249 -19.524 1.00 0.00 C ATOM 247 C GLN A 15 -7.442 -0.820 -20.199 1.00 0.00 C ATOM 248 O GLN A 15 -8.304 -0.512 -21.024 1.00 0.00 O ATOM 249 CB GLN A 15 -5.106 -0.062 -19.729 1.00 0.00 C ATOM 250 CG GLN A 15 -4.742 -0.371 -21.172 1.00 0.00 C ATOM 251 CD GLN A 15 -5.393 0.582 -22.155 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.949 0.162 -23.170 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.328 1.875 -21.858 1.00 0.00 N ATOM 0 H GLN A 15 -6.199 -0.091 -17.492 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.820 1.212 -19.979 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.515 0.788 -19.388 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.832 -0.912 -19.104 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.659 -0.323 -21.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.043 -1.392 -21.408 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.857 2.180 -21.006 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.749 2.563 -22.482 1.00 0.00 H new ATOM 262 N LEU A 16 -7.197 -2.077 -19.845 1.00 0.00 N ATOM 263 CA LEU A 16 -7.943 -3.192 -20.418 1.00 0.00 C ATOM 264 C LEU A 16 -9.191 -3.492 -19.594 1.00 0.00 C ATOM 265 O LEU A 16 -10.314 -3.286 -20.054 1.00 0.00 O ATOM 266 CB LEU A 16 -7.057 -4.438 -20.494 1.00 0.00 C ATOM 267 CG LEU A 16 -5.639 -4.221 -21.024 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.684 -3.912 -19.882 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.168 -5.442 -21.800 1.00 0.00 C ATOM 0 H LEU A 16 -6.488 -2.349 -19.164 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.253 -2.911 -21.425 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.988 -4.872 -19.497 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.552 -5.173 -21.128 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.651 -3.367 -21.701 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.680 -3.761 -20.278 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.011 -3.008 -19.368 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.675 -4.745 -19.180 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.157 -5.270 -22.170 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.172 -6.313 -21.145 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.837 -5.619 -22.642 1.00 0.00 H new ATOM 281 N SER A 17 -8.987 -3.978 -18.374 1.00 0.00 N ATOM 282 CA SER A 17 -10.096 -4.308 -17.487 1.00 0.00 C ATOM 283 C SER A 17 -9.584 -4.803 -16.138 1.00 0.00 C ATOM 284 O SER A 17 -9.585 -4.066 -15.152 1.00 0.00 O ATOM 285 CB SER A 17 -10.990 -5.372 -18.127 1.00 0.00 C ATOM 286 OG SER A 17 -12.141 -4.786 -18.712 1.00 0.00 O ATOM 0 H SER A 17 -8.064 -4.152 -17.977 1.00 0.00 H new ATOM 0 HA SER A 17 -10.680 -3.402 -17.325 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.428 -5.915 -18.887 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.291 -6.100 -17.373 1.00 0.00 H new ATOM 0 HG SER A 17 -11.868 -4.093 -19.348 1.00 0.00 H new ATOM 292 N VAL A 18 -9.146 -6.058 -16.102 1.00 0.00 N ATOM 293 CA VAL A 18 -8.630 -6.652 -14.875 1.00 0.00 C ATOM 294 C VAL A 18 -8.002 -8.015 -15.147 1.00 0.00 C ATOM 295 O VAL A 18 -8.706 -9.013 -15.298 1.00 0.00 O ATOM 296 CB VAL A 18 -9.739 -6.811 -13.818 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.702 -5.658 -12.828 1.00 0.00 C ATOM 298 CG2 VAL A 18 -11.102 -6.907 -14.487 1.00 0.00 C ATOM 0 H VAL A 18 -9.138 -6.682 -16.909 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.868 -5.974 -14.491 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.564 -7.736 -13.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.493 -5.788 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.735 -5.641 -12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.852 -4.718 -13.359 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.874 -7.019 -13.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.289 -6.001 -15.063 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.121 -7.770 -15.152 1.00 0.00 H new ATOM 308 N GLU A 19 -6.675 -8.048 -15.207 1.00 0.00 N ATOM 309 CA GLU A 19 -5.953 -9.289 -15.461 1.00 0.00 C ATOM 310 C GLU A 19 -4.501 -9.178 -15.004 1.00 0.00 C ATOM 311 O GLU A 19 -3.576 -9.393 -15.787 1.00 0.00 O ATOM 312 CB GLU A 19 -6.005 -9.640 -16.949 1.00 0.00 C ATOM 313 CG GLU A 19 -5.546 -8.512 -17.857 1.00 0.00 C ATOM 314 CD GLU A 19 -6.696 -7.658 -18.355 1.00 0.00 C ATOM 315 OE1 GLU A 19 -7.407 -8.104 -19.280 1.00 0.00 O ATOM 316 OE2 GLU A 19 -6.885 -6.546 -17.820 1.00 0.00 O ATOM 0 H GLU A 19 -6.078 -7.230 -15.083 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.436 -10.083 -14.891 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.382 -10.516 -17.129 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.026 -9.915 -17.213 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.838 -7.882 -17.318 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.014 -8.932 -18.711 1.00 0.00 H new ATOM 323 N GLU A 20 -4.311 -8.839 -13.733 1.00 0.00 N ATOM 324 CA GLU A 20 -2.972 -8.697 -13.173 1.00 0.00 C ATOM 325 C GLU A 20 -2.303 -10.059 -13.011 1.00 0.00 C ATOM 326 O GLU A 20 -1.092 -10.148 -12.807 1.00 0.00 O ATOM 327 CB GLU A 20 -3.034 -7.983 -11.821 1.00 0.00 C ATOM 328 CG GLU A 20 -3.527 -8.867 -10.688 1.00 0.00 C ATOM 329 CD GLU A 20 -3.961 -8.069 -9.473 1.00 0.00 C ATOM 330 OE1 GLU A 20 -3.446 -6.948 -9.283 1.00 0.00 O ATOM 331 OE2 GLU A 20 -4.817 -8.568 -8.712 1.00 0.00 O ATOM 0 H GLU A 20 -5.066 -8.658 -13.072 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.378 -8.100 -13.865 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.041 -7.608 -11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.690 -7.117 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.364 -9.470 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.735 -9.558 -10.400 1.00 0.00 H new ATOM 338 N ASP A 21 -3.101 -11.118 -13.102 1.00 0.00 N ATOM 339 CA ASP A 21 -2.587 -12.476 -12.966 1.00 0.00 C ATOM 340 C ASP A 21 -2.178 -13.040 -14.323 1.00 0.00 C ATOM 341 O ASP A 21 -2.496 -14.182 -14.654 1.00 0.00 O ATOM 342 CB ASP A 21 -3.639 -13.379 -12.320 1.00 0.00 C ATOM 343 CG ASP A 21 -3.028 -14.391 -11.370 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.315 -13.971 -10.434 1.00 0.00 O ATOM 345 OD2 ASP A 21 -3.264 -15.602 -11.561 1.00 0.00 O ATOM 0 H ASP A 21 -4.106 -11.062 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.705 -12.443 -12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.358 -12.764 -11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.191 -13.904 -13.099 1.00 0.00 H new ATOM 350 N LYS A 22 -1.470 -12.232 -15.105 1.00 0.00 N ATOM 351 CA LYS A 22 -1.017 -12.649 -16.426 1.00 0.00 C ATOM 352 C LYS A 22 -0.266 -11.520 -17.125 1.00 0.00 C ATOM 353 O LYS A 22 0.649 -11.765 -17.912 1.00 0.00 O ATOM 354 CB LYS A 22 -2.207 -13.091 -17.281 1.00 0.00 C ATOM 355 CG LYS A 22 -3.361 -12.104 -17.273 1.00 0.00 C ATOM 356 CD LYS A 22 -3.195 -11.043 -18.348 1.00 0.00 C ATOM 357 CE LYS A 22 -4.026 -11.365 -19.581 1.00 0.00 C ATOM 358 NZ LYS A 22 -3.399 -12.433 -20.408 1.00 0.00 N ATOM 0 H LYS A 22 -1.198 -11.284 -14.846 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.336 -13.491 -16.300 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.872 -13.237 -18.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.563 -14.057 -16.922 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.298 -12.638 -17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.425 -11.626 -16.296 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.491 -10.072 -17.951 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.144 -10.966 -18.626 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.023 -11.681 -19.275 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.148 -10.464 -20.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.949 -12.565 -21.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.426 -12.158 -20.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.383 -13.324 -19.871 1.00 0.00 H new ATOM 372 N ILE A 23 -0.658 -10.285 -16.832 1.00 0.00 N ATOM 373 CA ILE A 23 -0.020 -9.119 -17.431 1.00 0.00 C ATOM 374 C ILE A 23 1.498 -9.199 -17.308 1.00 0.00 C ATOM 375 O ILE A 23 2.226 -8.675 -18.150 1.00 0.00 O ATOM 376 CB ILE A 23 -0.509 -7.813 -16.779 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.146 -6.605 -17.452 1.00 0.00 C ATOM 378 CG2 ILE A 23 -0.210 -7.821 -15.287 1.00 0.00 C ATOM 379 CD1 ILE A 23 -0.080 -6.551 -18.947 1.00 0.00 C ATOM 0 H ILE A 23 -1.414 -10.066 -16.184 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.297 -9.115 -18.485 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.588 -7.740 -16.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.243 -5.692 -17.001 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.218 -6.626 -17.255 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.562 -6.891 -14.840 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.719 -8.664 -14.819 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.865 -7.914 -15.132 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.412 -5.669 -19.358 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.334 -7.447 -19.410 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.149 -6.498 -19.152 1.00 0.00 H new ATOM 391 N GLN A 24 1.966 -9.860 -16.254 1.00 0.00 N ATOM 392 CA GLN A 24 3.398 -10.009 -16.022 1.00 0.00 C ATOM 393 C GLN A 24 3.685 -11.239 -15.168 1.00 0.00 C ATOM 394 O GLN A 24 2.935 -11.555 -14.245 1.00 0.00 O ATOM 395 CB GLN A 24 3.959 -8.759 -15.342 1.00 0.00 C ATOM 396 CG GLN A 24 3.761 -8.745 -13.835 1.00 0.00 C ATOM 397 CD GLN A 24 2.335 -8.421 -13.437 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.993 -7.263 -13.196 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.492 -9.445 -13.367 1.00 0.00 N ATOM 0 H GLN A 24 1.376 -10.300 -15.548 1.00 0.00 H new ATOM 0 HA GLN A 24 3.886 -10.138 -16.988 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.024 -8.684 -15.561 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.482 -7.877 -15.771 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.036 -9.718 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.434 -8.011 -13.391 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.818 -10.389 -13.575 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.519 -9.287 -13.105 1.00 0.00 H new ATOM 408 N MET A 25 4.777 -11.930 -15.481 1.00 0.00 N ATOM 409 CA MET A 25 5.163 -13.125 -14.741 1.00 0.00 C ATOM 410 C MET A 25 6.559 -12.969 -14.147 1.00 0.00 C ATOM 411 O MET A 25 6.760 -13.170 -12.950 1.00 0.00 O ATOM 412 CB MET A 25 5.119 -14.353 -15.654 1.00 0.00 C ATOM 413 CG MET A 25 3.831 -14.469 -16.453 1.00 0.00 C ATOM 414 SD MET A 25 3.159 -16.142 -16.447 1.00 0.00 S ATOM 415 CE MET A 25 1.748 -15.935 -15.363 1.00 0.00 C ATOM 0 H MET A 25 5.410 -11.682 -16.242 1.00 0.00 H new ATOM 0 HA MET A 25 4.453 -13.262 -13.925 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.962 -14.314 -16.343 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.244 -15.251 -15.048 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.090 -13.783 -16.043 1.00 0.00 H new ATOM 0 HG3 MET A 25 4.017 -14.160 -17.482 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.376 -16.913 -15.059 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.047 -15.370 -14.480 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.961 -15.395 -15.889 1.00 0.00 H new ATOM 425 N ASN A 26 7.520 -12.610 -14.992 1.00 0.00 N ATOM 426 CA ASN A 26 8.898 -12.427 -14.549 1.00 0.00 C ATOM 427 C ASN A 26 9.807 -12.088 -15.726 1.00 0.00 C ATOM 428 O ASN A 26 10.777 -11.345 -15.581 1.00 0.00 O ATOM 429 CB ASN A 26 9.402 -13.691 -13.849 1.00 0.00 C ATOM 430 CG ASN A 26 9.982 -13.400 -12.478 1.00 0.00 C ATOM 431 OD1 ASN A 26 11.109 -13.791 -12.173 1.00 0.00 O ATOM 432 ND2 ASN A 26 9.212 -12.711 -11.644 1.00 0.00 N ATOM 0 H ASN A 26 7.370 -12.440 -15.987 1.00 0.00 H new ATOM 0 HA ASN A 26 8.920 -11.596 -13.844 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.580 -14.400 -13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.162 -14.168 -14.468 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.548 -12.486 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.284 -12.407 -11.940 1.00 0.00 H new ATOM 439 N SER A 27 9.486 -12.638 -16.893 1.00 0.00 N ATOM 440 CA SER A 27 10.275 -12.397 -18.095 1.00 0.00 C ATOM 441 C SER A 27 10.013 -10.998 -18.645 1.00 0.00 C ATOM 442 O SER A 27 10.827 -10.091 -18.479 1.00 0.00 O ATOM 443 CB SER A 27 9.952 -13.445 -19.162 1.00 0.00 C ATOM 444 OG SER A 27 10.884 -14.513 -19.125 1.00 0.00 O ATOM 0 H SER A 27 8.685 -13.254 -17.031 1.00 0.00 H new ATOM 0 HA SER A 27 11.329 -12.473 -17.829 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.945 -13.831 -19.004 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.965 -12.981 -20.148 1.00 0.00 H new ATOM 0 HG SER A 27 10.656 -15.171 -19.815 1.00 0.00 H new ATOM 450 N ASN A 28 8.869 -10.832 -19.302 1.00 0.00 N ATOM 451 CA ASN A 28 8.499 -9.545 -19.878 1.00 0.00 C ATOM 452 C ASN A 28 7.007 -9.279 -19.700 1.00 0.00 C ATOM 453 O ASN A 28 6.239 -10.183 -19.372 1.00 0.00 O ATOM 454 CB ASN A 28 8.862 -9.504 -21.364 1.00 0.00 C ATOM 455 CG ASN A 28 9.972 -10.476 -21.715 1.00 0.00 C ATOM 456 OD1 ASN A 28 9.750 -11.460 -22.421 1.00 0.00 O ATOM 457 ND2 ASN A 28 11.174 -10.203 -21.222 1.00 0.00 N ATOM 0 H ASN A 28 8.183 -11.573 -19.448 1.00 0.00 H new ATOM 0 HA ASN A 28 9.054 -8.767 -19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.978 -9.737 -21.958 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.169 -8.493 -21.632 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.960 -10.821 -21.424 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.311 -9.376 -20.641 1.00 0.00 H new ATOM 464 N PHE A 29 6.604 -8.032 -19.920 1.00 0.00 N ATOM 465 CA PHE A 29 5.204 -7.645 -19.784 1.00 0.00 C ATOM 466 C PHE A 29 4.429 -7.948 -21.063 1.00 0.00 C ATOM 467 O PHE A 29 3.406 -8.632 -21.037 1.00 0.00 O ATOM 468 CB PHE A 29 5.094 -6.157 -19.448 1.00 0.00 C ATOM 469 CG PHE A 29 4.723 -5.891 -18.017 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.627 -6.138 -16.996 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.471 -5.395 -17.693 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.289 -5.895 -15.678 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.127 -5.149 -16.377 1.00 0.00 C ATOM 474 CZ PHE A 29 4.037 -5.400 -15.368 1.00 0.00 C ATOM 0 H PHE A 29 7.227 -7.272 -20.193 1.00 0.00 H new ATOM 0 HA PHE A 29 4.770 -8.227 -18.971 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.046 -5.673 -19.664 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.349 -5.700 -20.099 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.607 -6.525 -17.233 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.755 -5.198 -18.478 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.003 -6.092 -14.892 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.148 -4.761 -16.138 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.770 -5.210 -14.339 1.00 0.00 H new ATOM 484 N THR A 30 4.924 -7.431 -22.184 1.00 0.00 N ATOM 485 CA THR A 30 4.279 -7.644 -23.474 1.00 0.00 C ATOM 486 C THR A 30 5.219 -8.341 -24.451 1.00 0.00 C ATOM 487 O THR A 30 4.965 -8.376 -25.655 1.00 0.00 O ATOM 488 CB THR A 30 3.809 -6.314 -24.092 1.00 0.00 C ATOM 489 OG1 THR A 30 3.158 -6.559 -25.344 1.00 0.00 O ATOM 490 CG2 THR A 30 4.982 -5.369 -24.301 1.00 0.00 C ATOM 0 H THR A 30 5.770 -6.862 -22.224 1.00 0.00 H new ATOM 0 HA THR A 30 3.412 -8.279 -23.293 1.00 0.00 H new ATOM 0 HB THR A 30 3.106 -5.847 -23.402 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.722 -7.138 -25.898 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.625 -4.437 -24.738 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.457 -5.161 -23.342 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.706 -5.831 -24.972 1.00 0.00 H new ATOM 498 N LYS A 31 6.307 -8.895 -23.925 1.00 0.00 N ATOM 499 CA LYS A 31 7.285 -9.594 -24.750 1.00 0.00 C ATOM 500 C LYS A 31 7.335 -11.076 -24.396 1.00 0.00 C ATOM 501 O LYS A 31 7.860 -11.889 -25.158 1.00 0.00 O ATOM 502 CB LYS A 31 8.671 -8.969 -24.574 1.00 0.00 C ATOM 503 CG LYS A 31 8.635 -7.558 -24.011 1.00 0.00 C ATOM 504 CD LYS A 31 10.033 -6.986 -23.852 1.00 0.00 C ATOM 505 CE LYS A 31 10.091 -5.529 -24.284 1.00 0.00 C ATOM 506 NZ LYS A 31 11.260 -4.821 -23.693 1.00 0.00 N ATOM 0 H LYS A 31 6.533 -8.873 -22.931 1.00 0.00 H new ATOM 0 HA LYS A 31 6.980 -9.498 -25.792 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.264 -9.600 -23.912 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.179 -8.954 -25.538 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.051 -6.917 -24.671 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.131 -7.564 -23.045 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.346 -7.071 -22.811 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.736 -7.571 -24.445 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.145 -5.475 -25.371 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.172 -5.025 -23.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.264 -3.831 -24.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.196 -4.851 -22.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.138 -5.286 -23.999 1.00 0.00 H new ATOM 520 N ASP A 32 6.785 -11.422 -23.237 1.00 0.00 N ATOM 521 CA ASP A 32 6.766 -12.808 -22.783 1.00 0.00 C ATOM 522 C ASP A 32 5.372 -13.410 -22.937 1.00 0.00 C ATOM 523 O ASP A 32 5.136 -14.239 -23.817 1.00 0.00 O ATOM 524 CB ASP A 32 7.215 -12.896 -21.324 1.00 0.00 C ATOM 525 CG ASP A 32 6.802 -14.199 -20.669 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.245 -15.267 -21.141 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.037 -14.151 -19.683 1.00 0.00 O ATOM 0 H ASP A 32 6.346 -10.762 -22.595 1.00 0.00 H new ATOM 0 HA ASP A 32 7.459 -13.377 -23.402 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.299 -12.795 -21.274 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.791 -12.062 -20.765 1.00 0.00 H new ATOM 532 N LEU A 33 4.453 -12.989 -22.075 1.00 0.00 N ATOM 533 CA LEU A 33 3.083 -13.487 -22.114 1.00 0.00 C ATOM 534 C LEU A 33 2.425 -13.167 -23.452 1.00 0.00 C ATOM 535 O LEU A 33 1.520 -13.873 -23.895 1.00 0.00 O ATOM 536 CB LEU A 33 2.266 -12.880 -20.972 1.00 0.00 C ATOM 537 CG LEU A 33 2.487 -11.390 -20.707 1.00 0.00 C ATOM 538 CD1 LEU A 33 1.156 -10.672 -20.554 1.00 0.00 C ATOM 539 CD2 LEU A 33 3.348 -11.192 -19.468 1.00 0.00 C ATOM 0 H LEU A 33 4.632 -12.304 -21.341 1.00 0.00 H new ATOM 0 HA LEU A 33 3.113 -14.570 -21.995 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.209 -13.038 -21.184 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.493 -13.429 -20.058 1.00 0.00 H new ATOM 0 HG LEU A 33 3.011 -10.962 -21.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.333 -9.613 -20.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.574 -10.786 -21.469 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.605 -11.102 -19.717 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.495 -10.126 -19.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.851 -11.635 -18.605 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.315 -11.673 -19.616 1.00 0.00 H new ATOM 551 N GLY A 34 2.887 -12.097 -24.092 1.00 0.00 N ATOM 552 CA GLY A 34 2.333 -11.702 -25.374 1.00 0.00 C ATOM 553 C GLY A 34 0.999 -10.995 -25.237 1.00 0.00 C ATOM 554 O GLY A 34 -0.003 -11.431 -25.802 1.00 0.00 O ATOM 0 H GLY A 34 3.635 -11.497 -23.745 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.038 -11.045 -25.884 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.210 -12.585 -26.001 1.00 0.00 H new ATOM 558 N ALA A 35 0.987 -9.901 -24.483 1.00 0.00 N ATOM 559 CA ALA A 35 -0.234 -9.132 -24.273 1.00 0.00 C ATOM 560 C ALA A 35 -0.537 -8.244 -25.476 1.00 0.00 C ATOM 561 O ALA A 35 -1.392 -8.569 -26.299 1.00 0.00 O ATOM 562 CB ALA A 35 -0.118 -8.291 -23.010 1.00 0.00 C ATOM 0 H ALA A 35 1.808 -9.527 -24.008 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.060 -9.833 -24.154 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.037 -7.722 -22.866 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.043 -8.944 -22.152 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.723 -7.604 -23.106 1.00 0.00 H new ATOM 568 N ASP A 36 0.170 -7.123 -25.570 1.00 0.00 N ATOM 569 CA ASP A 36 -0.023 -6.188 -26.673 1.00 0.00 C ATOM 570 C ASP A 36 0.886 -4.973 -26.521 1.00 0.00 C ATOM 571 O ASP A 36 0.992 -4.354 -25.464 1.00 0.00 O ATOM 572 CB ASP A 36 -1.485 -5.742 -26.741 1.00 0.00 C ATOM 573 CG ASP A 36 -2.138 -6.100 -28.062 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.566 -7.263 -28.216 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.222 -5.217 -28.941 1.00 0.00 O ATOM 0 H ASP A 36 0.881 -6.840 -24.896 1.00 0.00 H new ATOM 0 HA ASP A 36 0.237 -6.699 -27.600 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.042 -6.205 -25.926 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.540 -4.664 -26.592 1.00 0.00 H new ATOM 580 N SER A 37 1.577 -4.608 -27.615 1.00 0.00 N ATOM 581 CA SER A 37 2.525 -3.475 -27.712 1.00 0.00 C ATOM 582 C SER A 37 1.892 -2.135 -27.299 1.00 0.00 C ATOM 583 O SER A 37 2.417 -1.402 -26.460 1.00 0.00 O ATOM 584 CB SER A 37 3.037 -3.441 -29.161 1.00 0.00 C ATOM 585 OG SER A 37 1.986 -3.117 -30.071 1.00 0.00 O ATOM 0 H SER A 37 1.489 -5.114 -28.496 1.00 0.00 H new ATOM 0 HA SER A 37 3.349 -3.622 -27.014 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.838 -2.707 -29.250 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.462 -4.410 -29.422 1.00 0.00 H new ATOM 0 HG SER A 37 2.338 -3.100 -30.985 1.00 0.00 H new ATOM 590 N LEU A 38 0.752 -1.833 -27.911 1.00 0.00 N ATOM 591 CA LEU A 38 0.036 -0.595 -27.625 1.00 0.00 C ATOM 592 C LEU A 38 -0.541 -0.613 -26.213 1.00 0.00 C ATOM 593 O LEU A 38 -0.507 0.394 -25.505 1.00 0.00 O ATOM 594 CB LEU A 38 -1.086 -0.385 -28.644 1.00 0.00 C ATOM 595 CG LEU A 38 -0.775 -0.804 -30.081 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.302 -2.204 -30.355 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.365 0.193 -31.067 1.00 0.00 C ATOM 0 H LEU A 38 0.304 -2.428 -28.608 1.00 0.00 H new ATOM 0 HA LEU A 38 0.744 0.230 -27.698 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.963 -0.938 -28.307 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.356 0.671 -28.645 1.00 0.00 H new ATOM 0 HG LEU A 38 0.307 -0.814 -30.210 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.071 -2.485 -31.383 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.831 -2.910 -29.671 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.382 -2.222 -30.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.134 -0.121 -32.085 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.446 0.236 -30.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.938 1.180 -30.886 1.00 0.00 H new ATOM 609 N ASP A 39 -1.068 -1.764 -25.810 1.00 0.00 N ATOM 610 CA ASP A 39 -1.649 -1.914 -24.481 1.00 0.00 C ATOM 611 C ASP A 39 -0.615 -1.621 -23.399 1.00 0.00 C ATOM 612 O ASP A 39 -0.818 -0.752 -22.550 1.00 0.00 O ATOM 613 CB ASP A 39 -2.206 -3.328 -24.301 1.00 0.00 C ATOM 614 CG ASP A 39 -3.473 -3.557 -25.102 1.00 0.00 C ATOM 615 OD1 ASP A 39 -3.958 -2.594 -25.733 1.00 0.00 O ATOM 616 OD2 ASP A 39 -3.978 -4.698 -25.098 1.00 0.00 O ATOM 0 H ASP A 39 -1.105 -2.606 -26.384 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.463 -1.195 -24.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.452 -4.054 -24.604 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.411 -3.503 -23.245 1.00 0.00 H new ATOM 621 N LEU A 40 0.494 -2.352 -23.434 1.00 0.00 N ATOM 622 CA LEU A 40 1.561 -2.170 -22.456 1.00 0.00 C ATOM 623 C LEU A 40 2.024 -0.718 -22.417 1.00 0.00 C ATOM 624 O LEU A 40 2.224 -0.147 -21.345 1.00 0.00 O ATOM 625 CB LEU A 40 2.742 -3.086 -22.784 1.00 0.00 C ATOM 626 CG LEU A 40 3.245 -3.969 -21.642 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.818 -3.116 -20.521 1.00 0.00 C ATOM 628 CD2 LEU A 40 2.124 -4.856 -21.120 1.00 0.00 C ATOM 0 H LEU A 40 0.678 -3.076 -24.129 1.00 0.00 H new ATOM 0 HA LEU A 40 1.168 -2.432 -21.474 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.456 -3.730 -23.616 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.570 -2.468 -23.130 1.00 0.00 H new ATOM 0 HG LEU A 40 4.039 -4.609 -22.026 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.171 -3.761 -19.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.650 -2.524 -20.903 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.044 -2.450 -20.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.500 -5.478 -20.308 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.308 -4.233 -20.753 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.759 -5.493 -21.926 1.00 0.00 H new ATOM 640 N VAL A 41 2.191 -0.124 -23.595 1.00 0.00 N ATOM 641 CA VAL A 41 2.627 1.264 -23.697 1.00 0.00 C ATOM 642 C VAL A 41 1.541 2.218 -23.213 1.00 0.00 C ATOM 643 O VAL A 41 1.829 3.334 -22.782 1.00 0.00 O ATOM 644 CB VAL A 41 3.007 1.628 -25.144 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.370 3.102 -25.246 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.153 0.753 -25.629 1.00 0.00 C ATOM 0 H VAL A 41 2.031 -0.583 -24.492 1.00 0.00 H new ATOM 0 HA VAL A 41 3.507 1.367 -23.062 1.00 0.00 H new ATOM 0 HB VAL A 41 2.145 1.446 -25.785 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.636 3.341 -26.276 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.517 3.709 -24.941 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.217 3.314 -24.594 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.409 1.023 -26.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.021 0.901 -24.987 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.851 -0.294 -25.595 1.00 0.00 H new ATOM 656 N GLU A 42 0.291 1.770 -23.288 1.00 0.00 N ATOM 657 CA GLU A 42 -0.839 2.585 -22.858 1.00 0.00 C ATOM 658 C GLU A 42 -0.882 2.695 -21.336 1.00 0.00 C ATOM 659 O GLU A 42 -0.729 3.782 -20.776 1.00 0.00 O ATOM 660 CB GLU A 42 -2.151 1.992 -23.375 1.00 0.00 C ATOM 661 CG GLU A 42 -2.641 2.629 -24.664 1.00 0.00 C ATOM 662 CD GLU A 42 -3.905 1.980 -25.192 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.808 0.886 -25.785 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.993 2.566 -25.011 1.00 0.00 O ATOM 0 H GLU A 42 0.036 0.848 -23.642 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.712 3.584 -23.274 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.018 0.922 -23.536 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.918 2.106 -22.609 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.826 3.690 -24.493 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.858 2.559 -25.420 1.00 0.00 H new ATOM 671 N LEU A 43 -1.093 1.564 -20.673 1.00 0.00 N ATOM 672 CA LEU A 43 -1.157 1.531 -19.216 1.00 0.00 C ATOM 673 C LEU A 43 0.044 2.243 -18.602 1.00 0.00 C ATOM 674 O LEU A 43 -0.100 3.026 -17.662 1.00 0.00 O ATOM 675 CB LEU A 43 -1.215 0.085 -18.720 1.00 0.00 C ATOM 676 CG LEU A 43 -0.115 -0.845 -19.233 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.913 -1.107 -18.143 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.712 -2.153 -19.731 1.00 0.00 C ATOM 0 H LEU A 43 -1.223 0.657 -21.121 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.063 2.051 -18.905 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.177 0.094 -17.631 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.180 -0.336 -19.002 1.00 0.00 H new ATOM 0 HG LEU A 43 0.387 -0.357 -20.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.688 -1.771 -18.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.363 -0.164 -17.833 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.425 -1.574 -17.288 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.085 -2.803 -20.092 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.240 -2.646 -18.915 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.410 -1.949 -20.543 1.00 0.00 H new ATOM 690 N ILE A 44 1.228 1.967 -19.140 1.00 0.00 N ATOM 691 CA ILE A 44 2.453 2.584 -18.647 1.00 0.00 C ATOM 692 C ILE A 44 2.393 4.102 -18.774 1.00 0.00 C ATOM 693 O ILE A 44 2.748 4.827 -17.845 1.00 0.00 O ATOM 694 CB ILE A 44 3.689 2.065 -19.405 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.920 0.585 -19.094 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.917 2.886 -19.042 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.942 -0.070 -19.996 1.00 0.00 C ATOM 0 H ILE A 44 1.364 1.320 -19.917 1.00 0.00 H new ATOM 0 HA ILE A 44 2.542 2.313 -17.595 1.00 0.00 H new ATOM 0 HB ILE A 44 3.511 2.169 -20.475 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.245 0.486 -18.058 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.974 0.051 -19.183 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.782 2.507 -19.586 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.749 3.929 -19.309 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.101 2.811 -17.970 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.054 -1.118 -19.718 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.609 -0.003 -21.032 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.900 0.438 -19.889 1.00 0.00 H new ATOM 709 N MET A 45 1.941 4.577 -19.930 1.00 0.00 N ATOM 710 CA MET A 45 1.832 6.010 -20.177 1.00 0.00 C ATOM 711 C MET A 45 1.048 6.696 -19.063 1.00 0.00 C ATOM 712 O MET A 45 1.331 7.839 -18.706 1.00 0.00 O ATOM 713 CB MET A 45 1.155 6.266 -21.525 1.00 0.00 C ATOM 714 CG MET A 45 -0.283 6.741 -21.402 1.00 0.00 C ATOM 715 SD MET A 45 -1.113 6.865 -22.998 1.00 0.00 S ATOM 716 CE MET A 45 -0.624 8.512 -23.507 1.00 0.00 C ATOM 0 H MET A 45 1.644 3.991 -20.710 1.00 0.00 H new ATOM 0 HA MET A 45 2.839 6.427 -20.198 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.729 7.011 -22.075 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.177 5.349 -22.113 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.835 6.053 -20.762 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.299 7.714 -20.912 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.060 8.737 -24.480 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.976 9.239 -22.775 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.463 8.564 -23.576 1.00 0.00 H new ATOM 726 N ALA A 46 0.063 5.990 -18.518 1.00 0.00 N ATOM 727 CA ALA A 46 -0.760 6.531 -17.443 1.00 0.00 C ATOM 728 C ALA A 46 -0.026 6.474 -16.108 1.00 0.00 C ATOM 729 O ALA A 46 -0.165 7.369 -15.273 1.00 0.00 O ATOM 730 CB ALA A 46 -2.078 5.775 -17.356 1.00 0.00 C ATOM 0 H ALA A 46 -0.185 5.042 -18.803 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.968 7.577 -17.669 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.683 6.189 -16.549 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.616 5.872 -18.299 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.881 4.722 -17.157 1.00 0.00 H new ATOM 736 N LEU A 47 0.755 5.418 -15.912 1.00 0.00 N ATOM 737 CA LEU A 47 1.511 5.244 -14.677 1.00 0.00 C ATOM 738 C LEU A 47 2.672 6.230 -14.606 1.00 0.00 C ATOM 739 O LEU A 47 3.022 6.714 -13.530 1.00 0.00 O ATOM 740 CB LEU A 47 2.038 3.811 -14.576 1.00 0.00 C ATOM 741 CG LEU A 47 3.484 3.659 -14.104 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.686 2.313 -13.426 1.00 0.00 C ATOM 743 CD2 LEU A 47 4.446 3.820 -15.272 1.00 0.00 C ATOM 0 H LEU A 47 0.881 4.669 -16.593 1.00 0.00 H new ATOM 0 HA LEU A 47 0.841 5.439 -13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.394 3.256 -13.894 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.945 3.341 -15.555 1.00 0.00 H new ATOM 0 HG LEU A 47 3.693 4.443 -13.377 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.721 2.223 -13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.023 2.237 -12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.459 1.513 -14.130 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.471 3.709 -14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.237 3.058 -16.023 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.320 4.809 -15.713 1.00 0.00 H new ATOM 755 N GLU A 48 3.263 6.526 -15.760 1.00 0.00 N ATOM 756 CA GLU A 48 4.383 7.456 -15.827 1.00 0.00 C ATOM 757 C GLU A 48 3.891 8.901 -15.829 1.00 0.00 C ATOM 758 O GLU A 48 4.488 9.771 -15.195 1.00 0.00 O ATOM 759 CB GLU A 48 5.222 7.190 -17.079 1.00 0.00 C ATOM 760 CG GLU A 48 4.444 7.339 -18.375 1.00 0.00 C ATOM 761 CD GLU A 48 4.491 8.751 -18.925 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.086 9.626 -18.261 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.933 8.982 -20.018 1.00 0.00 O ATOM 0 H GLU A 48 2.984 6.135 -16.660 1.00 0.00 H new ATOM 0 HA GLU A 48 5.003 7.302 -14.944 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.068 7.877 -17.092 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.631 6.181 -17.024 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.847 6.650 -19.118 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.406 7.053 -18.206 1.00 0.00 H new ATOM 770 N GLU A 49 2.800 9.148 -16.547 1.00 0.00 N ATOM 771 CA GLU A 49 2.229 10.487 -16.633 1.00 0.00 C ATOM 772 C GLU A 49 1.741 10.958 -15.266 1.00 0.00 C ATOM 773 O GLU A 49 1.821 12.143 -14.940 1.00 0.00 O ATOM 774 CB GLU A 49 1.074 10.509 -17.635 1.00 0.00 C ATOM 775 CG GLU A 49 0.395 11.864 -17.752 1.00 0.00 C ATOM 776 CD GLU A 49 0.624 12.517 -19.101 1.00 0.00 C ATOM 777 OE1 GLU A 49 0.008 12.067 -20.090 1.00 0.00 O ATOM 778 OE2 GLU A 49 1.419 13.477 -19.168 1.00 0.00 O ATOM 0 H GLU A 49 2.294 8.439 -17.077 1.00 0.00 H new ATOM 0 HA GLU A 49 3.009 11.167 -16.975 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.449 10.214 -18.615 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.334 9.765 -17.340 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.676 11.745 -17.587 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.767 12.522 -16.966 1.00 0.00 H new ATOM 785 N LYS A 50 1.234 10.022 -14.471 1.00 0.00 N ATOM 786 CA LYS A 50 0.732 10.339 -13.139 1.00 0.00 C ATOM 787 C LYS A 50 1.878 10.455 -12.139 1.00 0.00 C ATOM 788 O LYS A 50 1.871 11.327 -11.269 1.00 0.00 O ATOM 789 CB LYS A 50 -0.257 9.268 -12.675 1.00 0.00 C ATOM 790 CG LYS A 50 -0.706 9.436 -11.234 1.00 0.00 C ATOM 791 CD LYS A 50 -2.187 9.137 -11.073 1.00 0.00 C ATOM 792 CE LYS A 50 -2.726 9.684 -9.760 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.636 8.716 -9.087 1.00 0.00 N ATOM 0 H LYS A 50 1.160 9.037 -14.726 1.00 0.00 H new ATOM 0 HA LYS A 50 0.219 11.300 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.133 9.289 -13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.203 8.287 -12.791 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.128 8.771 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.502 10.455 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.740 9.574 -11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.348 8.060 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.894 9.922 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.261 10.615 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.982 9.126 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.443 8.508 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.119 7.836 -8.885 1.00 0.00 H new ATOM 807 N PHE A 51 2.862 9.571 -12.269 1.00 0.00 N ATOM 808 CA PHE A 51 4.016 9.575 -11.377 1.00 0.00 C ATOM 809 C PHE A 51 4.919 10.772 -11.661 1.00 0.00 C ATOM 810 O PHE A 51 5.609 11.267 -10.770 1.00 0.00 O ATOM 811 CB PHE A 51 4.809 8.276 -11.530 1.00 0.00 C ATOM 812 CG PHE A 51 4.385 7.198 -10.573 1.00 0.00 C ATOM 813 CD1 PHE A 51 3.045 6.995 -10.288 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.327 6.388 -9.959 1.00 0.00 C ATOM 815 CE1 PHE A 51 2.652 6.005 -9.407 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.940 5.396 -9.078 1.00 0.00 C ATOM 817 CZ PHE A 51 3.601 5.204 -8.802 1.00 0.00 C ATOM 0 H PHE A 51 2.883 8.843 -12.983 1.00 0.00 H new ATOM 0 HA PHE A 51 3.652 9.652 -10.352 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.697 7.909 -12.550 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.868 8.487 -11.381 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.299 7.617 -10.759 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.376 6.534 -10.171 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.604 5.858 -9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.684 4.772 -8.606 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.296 4.429 -8.114 1.00 0.00 H new ATOM 827 N ASN A 52 4.908 11.231 -12.908 1.00 0.00 N ATOM 828 CA ASN A 52 5.727 12.369 -13.310 1.00 0.00 C ATOM 829 C ASN A 52 7.211 12.051 -13.162 1.00 0.00 C ATOM 830 O ASN A 52 7.927 12.712 -12.409 1.00 0.00 O ATOM 831 CB ASN A 52 5.372 13.601 -12.474 1.00 0.00 C ATOM 832 CG ASN A 52 5.867 14.889 -13.102 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.644 15.629 -12.498 1.00 0.00 O ATOM 834 ND2 ASN A 52 5.418 15.163 -14.322 1.00 0.00 N ATOM 0 H ASN A 52 4.342 10.833 -13.657 1.00 0.00 H new ATOM 0 HA ASN A 52 5.522 12.579 -14.360 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.290 13.653 -12.350 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.802 13.497 -11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.716 16.016 -14.796 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.775 14.521 -14.785 1.00 0.00 H new ATOM 841 N VAL A 53 7.668 11.034 -13.885 1.00 0.00 N ATOM 842 CA VAL A 53 9.068 10.628 -13.836 1.00 0.00 C ATOM 843 C VAL A 53 9.824 11.113 -15.068 1.00 0.00 C ATOM 844 O VAL A 53 9.296 11.882 -15.872 1.00 0.00 O ATOM 845 CB VAL A 53 9.205 9.098 -13.733 1.00 0.00 C ATOM 846 CG1 VAL A 53 10.299 8.725 -12.744 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.878 8.470 -13.334 1.00 0.00 C ATOM 0 H VAL A 53 7.089 10.476 -14.512 1.00 0.00 H new ATOM 0 HA VAL A 53 9.499 11.085 -12.945 1.00 0.00 H new ATOM 0 HB VAL A 53 9.485 8.709 -14.712 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.381 7.640 -12.685 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.249 9.143 -13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.052 9.125 -11.760 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.993 7.388 -13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.566 8.863 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.123 8.708 -14.083 1.00 0.00 H new ATOM 857 N THR A 54 11.065 10.659 -15.210 1.00 0.00 N ATOM 858 CA THR A 54 11.896 11.047 -16.343 1.00 0.00 C ATOM 859 C THR A 54 11.693 10.103 -17.523 1.00 0.00 C ATOM 860 O THR A 54 12.432 10.154 -18.506 1.00 0.00 O ATOM 861 CB THR A 54 13.389 11.064 -15.966 1.00 0.00 C ATOM 862 OG1 THR A 54 14.156 11.647 -17.025 1.00 0.00 O ATOM 863 CG2 THR A 54 13.892 9.656 -15.684 1.00 0.00 C ATOM 0 H THR A 54 11.517 10.022 -14.554 1.00 0.00 H new ATOM 0 HA THR A 54 11.590 12.053 -16.629 1.00 0.00 H new ATOM 0 HB THR A 54 13.506 11.662 -15.062 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.799 11.351 -17.888 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.949 9.693 -15.420 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.326 9.226 -14.857 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.762 9.038 -16.573 1.00 0.00 H new ATOM 871 N ILE A 55 10.686 9.242 -17.419 1.00 0.00 N ATOM 872 CA ILE A 55 10.385 8.287 -18.479 1.00 0.00 C ATOM 873 C ILE A 55 9.004 8.544 -19.074 1.00 0.00 C ATOM 874 O ILE A 55 8.315 9.487 -18.686 1.00 0.00 O ATOM 875 CB ILE A 55 10.448 6.837 -17.965 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.901 6.754 -16.538 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.877 6.317 -18.020 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.437 7.120 -16.431 1.00 0.00 C ATOM 0 H ILE A 55 10.065 9.186 -16.612 1.00 0.00 H new ATOM 0 HA ILE A 55 11.142 8.423 -19.251 1.00 0.00 H new ATOM 0 HB ILE A 55 9.829 6.212 -18.609 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.043 5.741 -16.161 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.481 7.417 -15.896 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.905 5.291 -17.653 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.235 6.345 -19.049 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.516 6.943 -17.397 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.117 7.039 -15.392 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.292 8.143 -16.777 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.846 6.442 -17.047 1.00 0.00 H new ATOM 890 N SER A 56 8.606 7.697 -20.018 1.00 0.00 N ATOM 891 CA SER A 56 7.308 7.832 -20.668 1.00 0.00 C ATOM 892 C SER A 56 7.125 6.765 -21.743 1.00 0.00 C ATOM 893 O SER A 56 6.127 6.046 -21.756 1.00 0.00 O ATOM 894 CB SER A 56 7.167 9.225 -21.287 1.00 0.00 C ATOM 895 OG SER A 56 6.464 10.099 -20.421 1.00 0.00 O ATOM 0 H SER A 56 9.164 6.910 -20.350 1.00 0.00 H new ATOM 0 HA SER A 56 6.535 7.697 -19.912 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.155 9.634 -21.498 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.642 9.152 -22.239 1.00 0.00 H new ATOM 0 HG SER A 56 6.668 9.871 -19.490 1.00 0.00 H new ATOM 901 N ASP A 57 8.097 6.670 -22.644 1.00 0.00 N ATOM 902 CA ASP A 57 8.045 5.690 -23.723 1.00 0.00 C ATOM 903 C ASP A 57 9.146 4.646 -23.562 1.00 0.00 C ATOM 904 O ASP A 57 9.128 3.606 -24.221 1.00 0.00 O ATOM 905 CB ASP A 57 8.180 6.386 -25.079 1.00 0.00 C ATOM 906 CG ASP A 57 7.259 5.793 -26.127 1.00 0.00 C ATOM 907 OD1 ASP A 57 7.324 4.566 -26.348 1.00 0.00 O ATOM 908 OD2 ASP A 57 6.473 6.557 -26.727 1.00 0.00 O ATOM 0 H ASP A 57 8.930 7.259 -22.649 1.00 0.00 H new ATOM 0 HA ASP A 57 7.080 5.185 -23.676 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.959 7.447 -24.963 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.212 6.311 -25.422 1.00 0.00 H new ATOM 913 N GLN A 58 10.101 4.930 -22.683 1.00 0.00 N ATOM 914 CA GLN A 58 11.210 4.016 -22.438 1.00 0.00 C ATOM 915 C GLN A 58 10.997 3.237 -21.144 1.00 0.00 C ATOM 916 O GLN A 58 11.624 2.201 -20.921 1.00 0.00 O ATOM 917 CB GLN A 58 12.529 4.787 -22.372 1.00 0.00 C ATOM 918 CG GLN A 58 12.760 5.700 -23.565 1.00 0.00 C ATOM 919 CD GLN A 58 12.963 4.933 -24.857 1.00 0.00 C ATOM 920 OE1 GLN A 58 14.033 4.376 -25.100 1.00 0.00 O ATOM 921 NE2 GLN A 58 11.932 4.901 -25.694 1.00 0.00 N ATOM 0 H GLN A 58 10.129 5.786 -22.129 1.00 0.00 H new ATOM 0 HA GLN A 58 11.253 3.307 -23.265 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.546 5.383 -21.460 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.353 4.076 -22.304 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.907 6.370 -23.675 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.634 6.324 -23.376 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.063 5.377 -25.451 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.009 4.400 -26.579 1.00 0.00 H new ATOM 930 N ASP A 59 10.110 3.743 -20.294 1.00 0.00 N ATOM 931 CA ASP A 59 9.814 3.095 -19.022 1.00 0.00 C ATOM 932 C ASP A 59 9.477 1.621 -19.228 1.00 0.00 C ATOM 933 O ASP A 59 9.884 0.766 -18.443 1.00 0.00 O ATOM 934 CB ASP A 59 8.654 3.803 -18.322 1.00 0.00 C ATOM 935 CG ASP A 59 7.634 4.349 -19.301 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.379 3.683 -20.326 1.00 0.00 O ATOM 937 OD2 ASP A 59 7.090 5.444 -19.043 1.00 0.00 O ATOM 0 H ASP A 59 9.584 4.600 -20.463 1.00 0.00 H new ATOM 0 HA ASP A 59 10.702 3.162 -18.394 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.164 3.106 -17.642 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.044 4.620 -17.715 1.00 0.00 H new ATOM 942 N ALA A 60 8.731 1.333 -20.290 1.00 0.00 N ATOM 943 CA ALA A 60 8.340 -0.036 -20.600 1.00 0.00 C ATOM 944 C ALA A 60 9.562 -0.940 -20.728 1.00 0.00 C ATOM 945 O ALA A 60 9.459 -2.161 -20.602 1.00 0.00 O ATOM 946 CB ALA A 60 7.518 -0.073 -21.879 1.00 0.00 C ATOM 0 H ALA A 60 8.386 2.030 -20.950 1.00 0.00 H new ATOM 0 HA ALA A 60 7.729 -0.409 -19.778 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.233 -1.102 -22.099 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.621 0.533 -21.753 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.110 0.323 -22.704 1.00 0.00 H new ATOM 952 N LEU A 61 10.717 -0.334 -20.979 1.00 0.00 N ATOM 953 CA LEU A 61 11.959 -1.085 -21.124 1.00 0.00 C ATOM 954 C LEU A 61 12.456 -1.583 -19.771 1.00 0.00 C ATOM 955 O LEU A 61 13.422 -2.342 -19.693 1.00 0.00 O ATOM 956 CB LEU A 61 13.030 -0.214 -21.784 1.00 0.00 C ATOM 957 CG LEU A 61 12.622 0.481 -23.084 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.590 1.607 -23.413 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.557 -0.521 -24.227 1.00 0.00 C ATOM 0 H LEU A 61 10.819 0.675 -21.086 1.00 0.00 H new ATOM 0 HA LEU A 61 11.760 -1.949 -21.758 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.341 0.548 -21.070 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.902 -0.836 -21.986 1.00 0.00 H new ATOM 0 HG LEU A 61 11.630 0.911 -22.948 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.284 2.090 -24.341 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.586 2.338 -22.605 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.595 1.201 -23.529 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.265 -0.009 -25.144 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.536 -0.981 -24.364 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.823 -1.292 -23.993 1.00 0.00 H new ATOM 971 N LYS A 62 11.787 -1.153 -18.706 1.00 0.00 N ATOM 972 CA LYS A 62 12.157 -1.558 -17.355 1.00 0.00 C ATOM 973 C LYS A 62 11.028 -2.340 -16.693 1.00 0.00 C ATOM 974 O LYS A 62 11.230 -3.458 -16.217 1.00 0.00 O ATOM 975 CB LYS A 62 12.506 -0.330 -16.511 1.00 0.00 C ATOM 976 CG LYS A 62 13.996 -0.049 -16.432 1.00 0.00 C ATOM 977 CD LYS A 62 14.290 1.158 -15.558 1.00 0.00 C ATOM 978 CE LYS A 62 13.847 2.451 -16.225 1.00 0.00 C ATOM 979 NZ LYS A 62 14.982 3.149 -16.891 1.00 0.00 N ATOM 0 H LYS A 62 10.986 -0.524 -18.753 1.00 0.00 H new ATOM 0 HA LYS A 62 13.031 -2.205 -17.423 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.002 0.542 -16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.117 -0.471 -15.502 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.511 -0.923 -16.033 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.389 0.122 -17.434 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.780 1.048 -14.601 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.358 1.204 -15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.073 2.233 -16.961 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.402 3.110 -15.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.639 4.025 -17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.710 3.380 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.391 2.530 -17.620 1.00 0.00 H new ATOM 993 N ILE A 63 9.839 -1.747 -16.667 1.00 0.00 N ATOM 994 CA ILE A 63 8.678 -2.390 -16.065 1.00 0.00 C ATOM 995 C ILE A 63 8.481 -3.798 -16.618 1.00 0.00 C ATOM 996 O ILE A 63 7.886 -4.654 -15.965 1.00 0.00 O ATOM 997 CB ILE A 63 7.394 -1.573 -16.306 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.457 -0.248 -15.542 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.170 -2.374 -15.888 1.00 0.00 C ATOM 1000 CD1 ILE A 63 7.977 0.904 -16.372 1.00 0.00 C ATOM 0 H ILE A 63 9.655 -0.822 -17.056 1.00 0.00 H new ATOM 0 HA ILE A 63 8.869 -2.446 -14.993 1.00 0.00 H new ATOM 0 HB ILE A 63 7.314 -1.354 -17.371 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.460 -0.001 -15.177 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.095 -0.372 -14.667 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.271 -1.783 -16.064 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.120 -3.293 -16.471 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.241 -2.620 -14.828 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.994 1.810 -15.766 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.986 0.678 -16.716 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.326 1.055 -17.233 1.00 0.00 H new ATOM 1012 N ASN A 64 8.988 -4.030 -17.824 1.00 0.00 N ATOM 1013 CA ASN A 64 8.869 -5.335 -18.464 1.00 0.00 C ATOM 1014 C ASN A 64 9.194 -6.455 -17.481 1.00 0.00 C ATOM 1015 O ASN A 64 8.608 -7.537 -17.538 1.00 0.00 O ATOM 1016 CB ASN A 64 9.800 -5.419 -19.676 1.00 0.00 C ATOM 1017 CG ASN A 64 11.206 -5.842 -19.296 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.674 -6.908 -19.694 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.887 -5.005 -18.521 1.00 0.00 N ATOM 0 H ASN A 64 9.485 -3.332 -18.378 1.00 0.00 H new ATOM 0 HA ASN A 64 7.838 -5.456 -18.797 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.392 -6.129 -20.396 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.837 -4.448 -20.171 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.838 -5.236 -18.233 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.459 -4.131 -18.214 1.00 0.00 H new ATOM 1026 N THR A 65 10.132 -6.188 -16.577 1.00 0.00 N ATOM 1027 CA THR A 65 10.536 -7.173 -15.581 1.00 0.00 C ATOM 1028 C THR A 65 10.240 -6.680 -14.170 1.00 0.00 C ATOM 1029 O THR A 65 10.551 -5.540 -13.821 1.00 0.00 O ATOM 1030 CB THR A 65 12.037 -7.502 -15.694 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.818 -6.368 -15.303 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.397 -7.908 -17.115 1.00 0.00 C ATOM 0 H THR A 65 10.626 -5.298 -16.514 1.00 0.00 H new ATOM 0 HA THR A 65 9.958 -8.076 -15.776 1.00 0.00 H new ATOM 0 HB THR A 65 12.254 -8.338 -15.029 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.771 -6.586 -15.376 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.462 -8.135 -17.170 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.823 -8.790 -17.398 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.165 -7.090 -17.797 1.00 0.00 H new ATOM 1040 N VAL A 66 9.639 -7.545 -13.359 1.00 0.00 N ATOM 1041 CA VAL A 66 9.302 -7.198 -11.984 1.00 0.00 C ATOM 1042 C VAL A 66 10.491 -6.561 -11.272 1.00 0.00 C ATOM 1043 O VAL A 66 10.319 -5.739 -10.372 1.00 0.00 O ATOM 1044 CB VAL A 66 8.843 -8.434 -11.189 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.658 -8.087 -9.720 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.560 -8.999 -11.778 1.00 0.00 C ATOM 0 H VAL A 66 9.375 -8.492 -13.631 1.00 0.00 H new ATOM 0 HA VAL A 66 8.482 -6.481 -12.030 1.00 0.00 H new ATOM 0 HB VAL A 66 9.617 -9.198 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.333 -8.973 -9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.603 -7.733 -9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.905 -7.305 -9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.250 -9.872 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.777 -8.242 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.732 -9.289 -12.815 1.00 0.00 H new ATOM 1056 N GLN A 67 11.695 -6.947 -11.681 1.00 0.00 N ATOM 1057 CA GLN A 67 12.912 -6.414 -11.081 1.00 0.00 C ATOM 1058 C GLN A 67 13.102 -4.946 -11.448 1.00 0.00 C ATOM 1059 O GLN A 67 13.131 -4.077 -10.576 1.00 0.00 O ATOM 1060 CB GLN A 67 14.127 -7.226 -11.534 1.00 0.00 C ATOM 1061 CG GLN A 67 15.449 -6.687 -11.011 1.00 0.00 C ATOM 1062 CD GLN A 67 15.511 -6.662 -9.497 1.00 0.00 C ATOM 1063 OE1 GLN A 67 15.799 -7.675 -8.859 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.240 -5.501 -8.912 1.00 0.00 N ATOM 0 H GLN A 67 11.854 -7.626 -12.425 1.00 0.00 H new ATOM 0 HA GLN A 67 12.816 -6.490 -9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.008 -8.258 -11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.157 -7.243 -12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.264 -7.301 -11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.603 -5.678 -11.394 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.006 -4.686 -9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.266 -5.424 -7.895 1.00 0.00 H new ATOM 1073 N ASP A 68 13.230 -4.677 -12.742 1.00 0.00 N ATOM 1074 CA ASP A 68 13.417 -3.313 -13.224 1.00 0.00 C ATOM 1075 C ASP A 68 12.204 -2.449 -12.893 1.00 0.00 C ATOM 1076 O ASP A 68 12.322 -1.236 -12.723 1.00 0.00 O ATOM 1077 CB ASP A 68 13.662 -3.312 -14.734 1.00 0.00 C ATOM 1078 CG ASP A 68 15.132 -3.437 -15.082 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.932 -3.747 -14.175 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.483 -3.223 -16.262 1.00 0.00 O ATOM 0 H ASP A 68 13.208 -5.385 -13.476 1.00 0.00 H new ATOM 0 HA ASP A 68 14.288 -2.893 -12.722 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.113 -4.136 -15.189 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.267 -2.391 -15.163 1.00 0.00 H new ATOM 1085 N ALA A 69 11.039 -3.082 -12.804 1.00 0.00 N ATOM 1086 CA ALA A 69 9.805 -2.372 -12.493 1.00 0.00 C ATOM 1087 C ALA A 69 9.880 -1.719 -11.117 1.00 0.00 C ATOM 1088 O ALA A 69 9.869 -0.493 -11.000 1.00 0.00 O ATOM 1089 CB ALA A 69 8.617 -3.320 -12.566 1.00 0.00 C ATOM 0 H ALA A 69 10.924 -4.086 -12.943 1.00 0.00 H new ATOM 0 HA ALA A 69 9.672 -1.584 -13.234 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.702 -2.776 -12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.544 -3.736 -13.571 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.752 -4.129 -11.848 1.00 0.00 H new ATOM 1095 N ILE A 70 9.955 -2.545 -10.079 1.00 0.00 N ATOM 1096 CA ILE A 70 10.032 -2.047 -8.711 1.00 0.00 C ATOM 1097 C ILE A 70 11.258 -1.162 -8.516 1.00 0.00 C ATOM 1098 O ILE A 70 11.296 -0.325 -7.615 1.00 0.00 O ATOM 1099 CB ILE A 70 10.079 -3.201 -7.693 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.411 -3.947 -7.796 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.914 -4.154 -7.918 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.462 -3.441 -6.833 1.00 0.00 C ATOM 0 H ILE A 70 9.964 -3.562 -10.159 1.00 0.00 H new ATOM 0 HA ILE A 70 9.131 -1.458 -8.539 1.00 0.00 H new ATOM 0 HB ILE A 70 9.994 -2.784 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.240 -5.007 -7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.790 -3.859 -8.814 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.961 -4.964 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.974 -3.614 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.971 -4.567 -8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.380 -4.015 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.662 -2.388 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.103 -3.555 -5.810 1.00 0.00 H new ATOM 1114 N ASP A 71 12.259 -1.352 -9.369 1.00 0.00 N ATOM 1115 CA ASP A 71 13.487 -0.569 -9.293 1.00 0.00 C ATOM 1116 C ASP A 71 13.301 0.798 -9.944 1.00 0.00 C ATOM 1117 O ASP A 71 13.934 1.777 -9.547 1.00 0.00 O ATOM 1118 CB ASP A 71 14.637 -1.318 -9.969 1.00 0.00 C ATOM 1119 CG ASP A 71 15.978 -0.648 -9.740 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.270 -0.290 -8.580 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.734 -0.483 -10.720 1.00 0.00 O ATOM 0 H ASP A 71 12.244 -2.041 -10.121 1.00 0.00 H new ATOM 0 HA ASP A 71 13.730 -0.420 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.675 -2.339 -9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.445 -1.383 -11.040 1.00 0.00 H new ATOM 1126 N TYR A 72 12.431 0.857 -10.946 1.00 0.00 N ATOM 1127 CA TYR A 72 12.164 2.103 -11.654 1.00 0.00 C ATOM 1128 C TYR A 72 11.249 3.009 -10.837 1.00 0.00 C ATOM 1129 O TYR A 72 11.257 4.230 -11.002 1.00 0.00 O ATOM 1130 CB TYR A 72 11.531 1.814 -13.016 1.00 0.00 C ATOM 1131 CG TYR A 72 10.280 2.620 -13.285 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.358 3.939 -13.714 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.019 2.061 -13.112 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.217 4.679 -13.960 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.874 2.792 -13.357 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.978 4.101 -13.780 1.00 0.00 C ATOM 1137 OH TYR A 72 6.839 4.834 -14.026 1.00 0.00 O ATOM 0 H TYR A 72 11.899 0.056 -11.286 1.00 0.00 H new ATOM 0 HA TYR A 72 13.114 2.617 -11.804 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.262 2.021 -13.798 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.290 0.753 -13.077 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.327 4.394 -13.858 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.934 1.037 -12.780 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.295 5.704 -14.291 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.902 2.342 -13.218 1.00 0.00 H new ATOM 0 HH TYR A 72 6.185 4.670 -13.315 1.00 0.00 H new ATOM 1147 N ILE A 73 10.461 2.403 -9.955 1.00 0.00 N ATOM 1148 CA ILE A 73 9.541 3.154 -9.111 1.00 0.00 C ATOM 1149 C ILE A 73 10.164 3.458 -7.753 1.00 0.00 C ATOM 1150 O ILE A 73 9.741 4.381 -7.057 1.00 0.00 O ATOM 1151 CB ILE A 73 8.221 2.390 -8.898 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.429 1.231 -7.921 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.683 1.881 -10.227 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.029 1.558 -6.500 1.00 0.00 C ATOM 0 H ILE A 73 10.442 1.394 -9.807 1.00 0.00 H new ATOM 0 HA ILE A 73 9.330 4.090 -9.629 1.00 0.00 H new ATOM 0 HB ILE A 73 7.488 3.073 -8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.853 0.371 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.479 0.938 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.750 1.343 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.501 2.724 -10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.412 1.210 -10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.204 0.690 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.622 2.398 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.972 1.822 -6.471 1.00 0.00 H new ATOM 1166 N GLU A 74 11.173 2.675 -7.383 1.00 0.00 N ATOM 1167 CA GLU A 74 11.856 2.862 -6.108 1.00 0.00 C ATOM 1168 C GLU A 74 13.067 3.777 -6.267 1.00 0.00 C ATOM 1169 O GLU A 74 13.538 4.377 -5.301 1.00 0.00 O ATOM 1170 CB GLU A 74 12.295 1.512 -5.537 1.00 0.00 C ATOM 1171 CG GLU A 74 11.160 0.715 -4.916 1.00 0.00 C ATOM 1172 CD GLU A 74 10.505 1.440 -3.756 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.230 2.098 -2.981 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.266 1.349 -3.624 1.00 0.00 O ATOM 0 H GLU A 74 11.535 1.906 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 74 11.157 3.332 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.750 0.921 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.065 1.679 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.410 0.504 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.542 -0.245 -4.570 1.00 0.00 H new ATOM 1181 N LYS A 75 13.566 3.879 -7.494 1.00 0.00 N ATOM 1182 CA LYS A 75 14.721 4.720 -7.783 1.00 0.00 C ATOM 1183 C LYS A 75 14.289 6.149 -8.095 1.00 0.00 C ATOM 1184 O LYS A 75 14.952 7.108 -7.703 1.00 0.00 O ATOM 1185 CB LYS A 75 15.514 4.147 -8.960 1.00 0.00 C ATOM 1186 CG LYS A 75 14.853 4.376 -10.308 1.00 0.00 C ATOM 1187 CD LYS A 75 15.491 3.526 -11.394 1.00 0.00 C ATOM 1188 CE LYS A 75 16.924 3.956 -11.667 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.910 2.997 -11.097 1.00 0.00 N ATOM 0 H LYS A 75 13.188 3.389 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 75 15.357 4.736 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.507 4.596 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.650 3.076 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.791 4.141 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.929 5.429 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.475 2.478 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.906 3.604 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.079 4.040 -12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.093 4.946 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.874 3.326 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.779 2.936 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.766 2.058 -11.521 1.00 0.00 H new ATOM 1203 N ASN A 76 13.172 6.283 -8.803 1.00 0.00 N ATOM 1204 CA ASN A 76 12.651 7.596 -9.167 1.00 0.00 C ATOM 1205 C ASN A 76 11.301 7.849 -8.503 1.00 0.00 C ATOM 1206 O ASN A 76 11.183 8.695 -7.618 1.00 0.00 O ATOM 1207 CB ASN A 76 12.513 7.709 -10.687 1.00 0.00 C ATOM 1208 CG ASN A 76 13.828 7.478 -11.406 1.00 0.00 C ATOM 1209 OD1 ASN A 76 13.910 6.666 -12.327 1.00 0.00 O ATOM 1210 ND2 ASN A 76 14.865 8.193 -10.986 1.00 0.00 N ATOM 0 H ASN A 76 12.611 5.499 -9.136 1.00 0.00 H new ATOM 0 HA ASN A 76 13.356 8.349 -8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.778 6.984 -11.037 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.132 8.698 -10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.776 8.080 -11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.751 8.855 -10.218 1.00 0.00 H new ATOM 1217 N ASN A 77 10.286 7.108 -8.936 1.00 0.00 N ATOM 1218 CA ASN A 77 8.945 7.252 -8.383 1.00 0.00 C ATOM 1219 C ASN A 77 8.301 8.554 -8.848 1.00 0.00 C ATOM 1220 O ASN A 77 7.348 8.546 -9.627 1.00 0.00 O ATOM 1221 CB ASN A 77 8.993 7.211 -6.854 1.00 0.00 C ATOM 1222 CG ASN A 77 7.717 6.660 -6.249 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.138 7.259 -5.342 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.271 5.514 -6.750 1.00 0.00 N ATOM 0 H ASN A 77 10.367 6.402 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 77 8.340 6.420 -8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.836 6.598 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.168 8.217 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.416 5.095 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.783 5.052 -7.502 1.00 0.00 H new