USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 29 CYS SG : rot 130:sc= -0.123 USER MOD Set 1.2: A 32 CYS SG : rot 72:sc= -0.0801 USER MOD Set 2.1: A 7 THR OG1 : rot 106:sc= 1.28 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.826 K(o=2.1,f=-2.4!) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.026) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.687 (180deg=0.442) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 15 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 16 SER OG : rot 85:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 46 MET CE :methyl 173:sc= -0.149 (180deg=-0.254) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 3.63 (180deg=3.57) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.19) USER MOD Single : A 60 ASN : amide:sc= 0.688 K(o=0.69,f=-7.2!) USER MOD Single : A 61 GLN : amide:sc= -1.7! C(o=-1.7!,f=-1.5!) USER MOD Single : A 63 THR OG1 : rot -152:sc= -0.108 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 2.13 (180deg=1.59) USER MOD Single : A 67 TYR OH : rot -131:sc= 1.02 USER MOD Single : A 70 MET CE :methyl 169:sc= 0 (180deg=-0.198) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 128:sc= 1.24 USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= 2.04 (180deg=1.22) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 2.29 (180deg=1.82) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 2.43 (180deg=2.25) USER MOD Single : A 97 GLN : amide:sc= 0.404 K(o=0.4,f=-0.42) USER MOD Single : A 101 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.76) USER MOD Single : A 103 HIS : no HE2:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.057 0.247 -2.393 1.00 0.00 N ATOM 2 CA MET A 1 2.663 -0.578 -1.327 1.00 0.00 C ATOM 3 C MET A 1 2.484 -2.056 -1.682 1.00 0.00 C ATOM 4 O MET A 1 3.458 -2.697 -2.083 1.00 0.00 O ATOM 5 CB MET A 1 2.136 -0.188 0.072 1.00 0.00 C ATOM 6 CG MET A 1 2.961 -0.775 1.229 1.00 0.00 C ATOM 7 SD MET A 1 2.852 -2.566 1.528 1.00 0.00 S ATOM 8 CE MET A 1 1.148 -2.708 2.141 1.00 0.00 C ATOM 0 H1 MET A 1 2.522 1.177 -2.419 1.00 0.00 H new ATOM 0 H2 MET A 1 2.179 -0.227 -3.311 1.00 0.00 H new ATOM 0 H3 MET A 1 1.043 0.373 -2.200 1.00 0.00 H new ATOM 0 HA MET A 1 3.734 -0.387 -1.268 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.128 0.899 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.103 -0.523 0.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.008 -0.528 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.664 -0.264 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.952 -3.739 2.436 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.015 -2.053 3.002 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.453 -2.418 1.353 1.00 0.00 H new ATOM 20 N ALA A 2 1.268 -2.604 -1.555 1.00 0.00 N ATOM 21 CA ALA A 2 0.899 -3.919 -2.057 1.00 0.00 C ATOM 22 C ALA A 2 -0.614 -3.932 -2.262 1.00 0.00 C ATOM 23 O ALA A 2 -1.362 -3.344 -1.475 1.00 0.00 O ATOM 24 CB ALA A 2 1.297 -5.016 -1.059 1.00 0.00 C ATOM 0 H ALA A 2 0.499 -2.126 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 2 1.420 -4.116 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.011 -5.990 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.375 -4.991 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.788 -4.847 -0.110 1.00 0.00 H new ATOM 30 N ILE A 3 -1.051 -4.636 -3.303 1.00 0.00 N ATOM 31 CA ILE A 3 -2.459 -4.860 -3.604 1.00 0.00 C ATOM 32 C ILE A 3 -2.977 -5.916 -2.611 1.00 0.00 C ATOM 33 O ILE A 3 -2.209 -6.737 -2.097 1.00 0.00 O ATOM 34 CB ILE A 3 -2.578 -5.257 -5.097 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.059 -4.081 -5.965 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.014 -5.646 -5.496 1.00 0.00 C ATOM 37 CD1 ILE A 3 -1.972 -4.372 -7.461 1.00 0.00 C ATOM 0 H ILE A 3 -0.421 -5.075 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.081 -3.974 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.970 -6.146 -5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.713 -3.222 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.070 -3.795 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.038 -5.915 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.340 -6.497 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.681 -4.802 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.599 -3.490 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.293 -5.208 -7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.962 -4.626 -7.840 1.00 0.00 H new ATOM 49 N VAL A 4 -4.279 -5.893 -2.333 1.00 0.00 N ATOM 50 CA VAL A 4 -4.952 -6.716 -1.335 1.00 0.00 C ATOM 51 C VAL A 4 -6.000 -7.547 -2.089 1.00 0.00 C ATOM 52 O VAL A 4 -6.230 -7.335 -3.285 1.00 0.00 O ATOM 53 CB VAL A 4 -5.513 -5.791 -0.220 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.129 -6.554 0.965 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.420 -4.869 0.356 1.00 0.00 C ATOM 0 H VAL A 4 -4.922 -5.270 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.294 -7.415 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.294 -5.216 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.499 -5.842 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.954 -7.172 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.371 -7.189 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.850 -4.237 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.620 -5.475 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.016 -4.243 -0.439 1.00 0.00 H new ATOM 65 N LYS A 5 -6.630 -8.524 -1.437 1.00 0.00 N ATOM 66 CA LYS A 5 -7.640 -9.381 -2.055 1.00 0.00 C ATOM 67 C LYS A 5 -8.790 -9.558 -1.080 1.00 0.00 C ATOM 68 O LYS A 5 -8.567 -9.542 0.133 1.00 0.00 O ATOM 69 CB LYS A 5 -7.047 -10.750 -2.426 1.00 0.00 C ATOM 70 CG LYS A 5 -5.733 -10.642 -3.219 1.00 0.00 C ATOM 71 CD LYS A 5 -5.419 -11.908 -4.019 1.00 0.00 C ATOM 72 CE LYS A 5 -6.316 -11.943 -5.264 1.00 0.00 C ATOM 73 NZ LYS A 5 -6.116 -13.183 -6.057 1.00 0.00 N ATOM 0 H LYS A 5 -6.452 -8.744 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.996 -8.912 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.869 -11.321 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.775 -11.308 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.793 -9.793 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.913 -10.440 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.369 -11.919 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.589 -12.793 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.360 -11.871 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.104 -11.075 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.740 -13.168 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.125 -13.240 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.342 -14.011 -5.470 1.00 0.00 H new ATOM 87 N ALA A 6 -10.001 -9.742 -1.602 1.00 0.00 N ATOM 88 CA ALA A 6 -11.182 -10.007 -0.786 1.00 0.00 C ATOM 89 C ALA A 6 -12.214 -10.845 -1.542 1.00 0.00 C ATOM 90 O ALA A 6 -12.113 -11.032 -2.756 1.00 0.00 O ATOM 91 CB ALA A 6 -11.808 -8.681 -0.334 1.00 0.00 C ATOM 0 H ALA A 6 -10.190 -9.711 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.867 -10.579 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.689 -8.883 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.083 -8.118 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.097 -8.098 -1.209 1.00 0.00 H new ATOM 97 N THR A 7 -13.231 -11.303 -0.814 1.00 0.00 N ATOM 98 CA THR A 7 -14.413 -11.981 -1.330 1.00 0.00 C ATOM 99 C THR A 7 -15.630 -11.396 -0.595 1.00 0.00 C ATOM 100 O THR A 7 -15.439 -10.621 0.346 1.00 0.00 O ATOM 101 CB THR A 7 -14.269 -13.507 -1.136 1.00 0.00 C ATOM 102 OG1 THR A 7 -14.065 -13.838 0.223 1.00 0.00 O ATOM 103 CG2 THR A 7 -13.096 -14.102 -1.921 1.00 0.00 C ATOM 0 H THR A 7 -13.251 -11.205 0.201 1.00 0.00 H new ATOM 0 HA THR A 7 -14.539 -11.822 -2.401 1.00 0.00 H new ATOM 0 HB THR A 7 -15.205 -13.925 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.885 -14.228 0.591 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.047 -15.176 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.239 -13.916 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.166 -13.638 -1.593 1.00 0.00 H new ATOM 111 N ASP A 8 -16.867 -11.757 -0.959 1.00 0.00 N ATOM 112 CA ASP A 8 -18.103 -11.247 -0.329 1.00 0.00 C ATOM 113 C ASP A 8 -18.057 -11.275 1.206 1.00 0.00 C ATOM 114 O ASP A 8 -18.602 -10.394 1.872 1.00 0.00 O ATOM 115 CB ASP A 8 -19.324 -12.065 -0.775 1.00 0.00 C ATOM 116 CG ASP A 8 -20.623 -11.480 -0.190 1.00 0.00 C ATOM 117 OD1 ASP A 8 -21.053 -10.382 -0.615 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.231 -12.137 0.686 1.00 0.00 O ATOM 0 H ASP A 8 -17.046 -12.422 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.185 -10.211 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.383 -12.074 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.210 -13.100 -0.454 1.00 0.00 H new ATOM 123 N GLN A 9 -17.367 -12.278 1.757 1.00 0.00 N ATOM 124 CA GLN A 9 -17.193 -12.517 3.181 1.00 0.00 C ATOM 125 C GLN A 9 -16.485 -11.360 3.905 1.00 0.00 C ATOM 126 O GLN A 9 -16.776 -11.130 5.082 1.00 0.00 O ATOM 127 CB GLN A 9 -16.402 -13.825 3.377 1.00 0.00 C ATOM 128 CG GLN A 9 -17.168 -15.103 2.965 1.00 0.00 C ATOM 129 CD GLN A 9 -17.343 -15.285 1.453 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.533 -14.818 0.658 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.407 -15.937 1.010 1.00 0.00 N ATOM 0 H GLN A 9 -16.893 -12.978 1.187 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.186 -12.596 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.479 -13.767 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.117 -13.909 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.641 -15.970 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.153 -15.086 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.080 -16.325 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.554 -16.052 0.007 1.00 0.00 H new ATOM 140 N SER A 10 -15.580 -10.638 3.233 1.00 0.00 N ATOM 141 CA SER A 10 -14.710 -9.642 3.874 1.00 0.00 C ATOM 142 C SER A 10 -14.499 -8.370 3.045 1.00 0.00 C ATOM 143 O SER A 10 -13.853 -7.436 3.520 1.00 0.00 O ATOM 144 CB SER A 10 -13.354 -10.287 4.209 1.00 0.00 C ATOM 145 OG SER A 10 -13.499 -11.523 4.901 1.00 0.00 O ATOM 0 H SER A 10 -15.429 -10.727 2.228 1.00 0.00 H new ATOM 0 HA SER A 10 -15.221 -9.322 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.796 -10.452 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.768 -9.599 4.818 1.00 0.00 H new ATOM 0 HG SER A 10 -12.613 -11.897 5.092 1.00 0.00 H new ATOM 151 N PHE A 11 -15.055 -8.295 1.835 1.00 0.00 N ATOM 152 CA PHE A 11 -14.960 -7.132 0.960 1.00 0.00 C ATOM 153 C PHE A 11 -15.445 -5.870 1.671 1.00 0.00 C ATOM 154 O PHE A 11 -14.848 -4.806 1.513 1.00 0.00 O ATOM 155 CB PHE A 11 -15.787 -7.404 -0.304 1.00 0.00 C ATOM 156 CG PHE A 11 -15.693 -6.338 -1.375 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.691 -6.430 -2.356 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.628 -5.285 -1.427 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.636 -5.494 -3.397 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.562 -4.339 -2.466 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.576 -4.449 -3.459 1.00 0.00 C ATOM 0 H PHE A 11 -15.595 -9.059 1.430 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.918 -6.964 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.468 -8.355 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.833 -7.518 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.961 -7.225 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.394 -5.204 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.870 -5.575 -4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.272 -3.526 -2.500 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.539 -3.734 -4.268 1.00 0.00 H new ATOM 171 N SER A 12 -16.494 -5.988 2.484 1.00 0.00 N ATOM 172 CA SER A 12 -17.057 -4.882 3.236 1.00 0.00 C ATOM 173 C SER A 12 -16.043 -4.335 4.235 1.00 0.00 C ATOM 174 O SER A 12 -15.771 -3.134 4.246 1.00 0.00 O ATOM 175 CB SER A 12 -18.345 -5.365 3.919 1.00 0.00 C ATOM 176 OG SER A 12 -18.184 -6.682 4.434 1.00 0.00 O ATOM 0 H SER A 12 -16.980 -6.872 2.637 1.00 0.00 H new ATOM 0 HA SER A 12 -17.303 -4.057 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.610 -4.684 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.168 -5.348 3.205 1.00 0.00 H new ATOM 0 HG SER A 12 -19.016 -6.968 4.866 1.00 0.00 H new ATOM 182 N ALA A 13 -15.443 -5.216 5.035 1.00 0.00 N ATOM 183 CA ALA A 13 -14.435 -4.839 6.012 1.00 0.00 C ATOM 184 C ALA A 13 -13.250 -4.169 5.315 1.00 0.00 C ATOM 185 O ALA A 13 -12.778 -3.125 5.766 1.00 0.00 O ATOM 186 CB ALA A 13 -13.984 -6.073 6.803 1.00 0.00 C ATOM 0 H ALA A 13 -15.647 -6.215 5.020 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.865 -4.123 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.229 -5.781 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.840 -6.506 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.562 -6.810 6.119 1.00 0.00 H new ATOM 192 N GLU A 14 -12.791 -4.736 4.195 1.00 0.00 N ATOM 193 CA GLU A 14 -11.636 -4.217 3.476 1.00 0.00 C ATOM 194 C GLU A 14 -11.924 -2.845 2.877 1.00 0.00 C ATOM 195 O GLU A 14 -11.048 -1.980 2.908 1.00 0.00 O ATOM 196 CB GLU A 14 -11.188 -5.198 2.382 1.00 0.00 C ATOM 197 CG GLU A 14 -10.484 -6.430 2.969 1.00 0.00 C ATOM 198 CD GLU A 14 -9.162 -6.123 3.702 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.562 -5.047 3.478 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.719 -6.968 4.515 1.00 0.00 O ATOM 0 H GLU A 14 -13.210 -5.562 3.768 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.824 -4.105 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.055 -5.517 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.514 -4.689 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.163 -6.924 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.282 -7.136 2.163 1.00 0.00 H new ATOM 207 N THR A 15 -13.136 -2.610 2.373 1.00 0.00 N ATOM 208 CA THR A 15 -13.503 -1.347 1.751 1.00 0.00 C ATOM 209 C THR A 15 -13.851 -0.262 2.785 1.00 0.00 C ATOM 210 O THR A 15 -14.190 0.858 2.399 1.00 0.00 O ATOM 211 CB THR A 15 -14.581 -1.580 0.676 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.686 -2.310 1.161 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.993 -2.332 -0.529 1.00 0.00 C ATOM 0 H THR A 15 -13.891 -3.296 2.387 1.00 0.00 H new ATOM 0 HA THR A 15 -12.634 -0.942 1.233 1.00 0.00 H new ATOM 0 HB THR A 15 -14.927 -0.590 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.492 -3.269 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.771 -2.486 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.183 -1.746 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.607 -3.298 -0.202 1.00 0.00 H new ATOM 221 N SER A 16 -13.719 -0.552 4.088 1.00 0.00 N ATOM 222 CA SER A 16 -14.152 0.319 5.181 1.00 0.00 C ATOM 223 C SER A 16 -12.971 0.890 5.974 1.00 0.00 C ATOM 224 O SER A 16 -13.080 1.109 7.182 1.00 0.00 O ATOM 225 CB SER A 16 -15.163 -0.419 6.073 1.00 0.00 C ATOM 226 OG SER A 16 -16.305 -0.815 5.340 1.00 0.00 O ATOM 0 H SER A 16 -13.297 -1.421 4.415 1.00 0.00 H new ATOM 0 HA SER A 16 -14.655 1.184 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.689 -1.296 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.464 0.228 6.897 1.00 0.00 H new ATOM 0 HG SER A 16 -16.131 -1.674 4.902 1.00 0.00 H new ATOM 232 N GLU A 17 -11.839 1.137 5.305 1.00 0.00 N ATOM 233 CA GLU A 17 -10.620 1.628 5.960 1.00 0.00 C ATOM 234 C GLU A 17 -9.966 2.816 5.235 1.00 0.00 C ATOM 235 O GLU A 17 -8.939 3.319 5.697 1.00 0.00 O ATOM 236 CB GLU A 17 -9.610 0.476 6.122 1.00 0.00 C ATOM 237 CG GLU A 17 -10.135 -0.690 6.972 1.00 0.00 C ATOM 238 CD GLU A 17 -9.025 -1.707 7.286 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.315 -2.140 6.350 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.858 -2.085 8.469 1.00 0.00 O ATOM 0 H GLU A 17 -11.742 1.003 4.299 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.922 2.001 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.338 0.101 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.699 0.865 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.550 -0.304 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.948 -1.189 6.444 1.00 0.00 H new ATOM 247 N GLY A 18 -10.525 3.280 4.116 1.00 0.00 N ATOM 248 CA GLY A 18 -9.906 4.319 3.300 1.00 0.00 C ATOM 249 C GLY A 18 -10.577 4.394 1.941 1.00 0.00 C ATOM 250 O GLY A 18 -11.660 3.833 1.765 1.00 0.00 O ATOM 0 H GLY A 18 -11.417 2.945 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.984 5.282 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.844 4.109 3.177 1.00 0.00 H new ATOM 254 N VAL A 19 -9.964 5.103 0.992 1.00 0.00 N ATOM 255 CA VAL A 19 -10.357 4.996 -0.409 1.00 0.00 C ATOM 256 C VAL A 19 -9.857 3.620 -0.844 1.00 0.00 C ATOM 257 O VAL A 19 -8.711 3.257 -0.558 1.00 0.00 O ATOM 258 CB VAL A 19 -9.759 6.142 -1.253 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.093 6.002 -2.748 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.317 7.491 -0.784 1.00 0.00 C ATOM 0 H VAL A 19 -9.198 5.753 1.169 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.434 5.089 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.678 6.090 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.650 6.832 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.691 5.061 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.175 6.014 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.888 8.292 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.401 7.495 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.059 7.647 0.263 1.00 0.00 H new ATOM 270 N VAL A 20 -10.696 2.846 -1.525 1.00 0.00 N ATOM 271 CA VAL A 20 -10.382 1.491 -1.932 1.00 0.00 C ATOM 272 C VAL A 20 -10.856 1.333 -3.372 1.00 0.00 C ATOM 273 O VAL A 20 -12.033 1.539 -3.675 1.00 0.00 O ATOM 274 CB VAL A 20 -11.009 0.468 -0.959 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.552 -0.948 -1.333 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.626 0.752 0.507 1.00 0.00 C ATOM 0 H VAL A 20 -11.626 3.152 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.310 1.297 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.092 0.555 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.996 -1.667 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.869 -1.176 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.466 -1.008 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.089 0.008 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.543 0.704 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.975 1.746 0.788 1.00 0.00 H new ATOM 286 N LEU A 21 -9.924 0.987 -4.258 1.00 0.00 N ATOM 287 CA LEU A 21 -10.199 0.660 -5.645 1.00 0.00 C ATOM 288 C LEU A 21 -10.294 -0.857 -5.723 1.00 0.00 C ATOM 289 O LEU A 21 -9.277 -1.555 -5.743 1.00 0.00 O ATOM 290 CB LEU A 21 -9.066 1.195 -6.534 1.00 0.00 C ATOM 291 CG LEU A 21 -9.208 0.820 -8.020 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.426 1.496 -8.656 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.949 1.265 -8.764 1.00 0.00 C ATOM 0 H LEU A 21 -8.934 0.926 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.126 1.114 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.030 2.281 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.115 0.813 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.341 -0.260 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.495 1.209 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.330 1.183 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.321 2.578 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.038 1.004 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.831 2.344 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.079 0.764 -8.339 1.00 0.00 H new ATOM 305 N ALA A 22 -11.507 -1.387 -5.702 1.00 0.00 N ATOM 306 CA ALA A 22 -11.709 -2.787 -5.996 1.00 0.00 C ATOM 307 C ALA A 22 -11.600 -3.013 -7.505 1.00 0.00 C ATOM 308 O ALA A 22 -11.860 -2.111 -8.307 1.00 0.00 O ATOM 309 CB ALA A 22 -13.061 -3.238 -5.465 1.00 0.00 C ATOM 0 H ALA A 22 -12.358 -0.868 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.940 -3.382 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.206 -4.295 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.096 -3.089 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.851 -2.654 -5.938 1.00 0.00 H new ATOM 315 N ASP A 23 -11.274 -4.243 -7.884 1.00 0.00 N ATOM 316 CA ASP A 23 -11.132 -4.690 -9.260 1.00 0.00 C ATOM 317 C ASP A 23 -11.747 -6.081 -9.357 1.00 0.00 C ATOM 318 O ASP A 23 -11.155 -7.070 -8.907 1.00 0.00 O ATOM 319 CB ASP A 23 -9.657 -4.695 -9.677 1.00 0.00 C ATOM 320 CG ASP A 23 -9.452 -5.387 -11.035 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.268 -5.168 -11.958 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.441 -6.113 -11.174 1.00 0.00 O ATOM 0 H ASP A 23 -11.094 -4.987 -7.209 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.646 -4.012 -9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.291 -3.670 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.065 -5.204 -8.916 1.00 0.00 H new ATOM 327 N PHE A 24 -12.981 -6.122 -9.864 1.00 0.00 N ATOM 328 CA PHE A 24 -13.657 -7.345 -10.250 1.00 0.00 C ATOM 329 C PHE A 24 -13.025 -7.791 -11.562 1.00 0.00 C ATOM 330 O PHE A 24 -13.148 -7.089 -12.573 1.00 0.00 O ATOM 331 CB PHE A 24 -15.168 -7.117 -10.396 1.00 0.00 C ATOM 332 CG PHE A 24 -15.893 -7.020 -9.068 1.00 0.00 C ATOM 333 CD1 PHE A 24 -16.030 -5.777 -8.420 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.382 -8.188 -8.450 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.644 -5.708 -7.156 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.000 -8.117 -7.190 1.00 0.00 C ATOM 337 CZ PHE A 24 -17.126 -6.876 -6.541 1.00 0.00 C ATOM 0 H PHE A 24 -13.543 -5.285 -10.018 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.543 -8.117 -9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.337 -6.201 -10.962 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.597 -7.934 -10.977 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.664 -4.878 -8.893 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.281 -9.142 -8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.745 -4.755 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.377 -9.014 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.594 -6.820 -5.569 1.00 0.00 H new ATOM 347 N TRP A 25 -12.361 -8.946 -11.550 1.00 0.00 N ATOM 348 CA TRP A 25 -11.597 -9.449 -12.687 1.00 0.00 C ATOM 349 C TRP A 25 -11.854 -10.946 -12.877 1.00 0.00 C ATOM 350 O TRP A 25 -12.542 -11.569 -12.064 1.00 0.00 O ATOM 351 CB TRP A 25 -10.103 -9.140 -12.495 1.00 0.00 C ATOM 352 CG TRP A 25 -9.356 -10.035 -11.553 1.00 0.00 C ATOM 353 CD1 TRP A 25 -9.500 -10.054 -10.212 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.357 -11.059 -11.857 1.00 0.00 C ATOM 355 NE1 TRP A 25 -8.720 -11.053 -9.669 1.00 0.00 N ATOM 356 CE2 TRP A 25 -7.981 -11.699 -10.636 1.00 0.00 C ATOM 357 CE3 TRP A 25 -7.720 -11.507 -13.035 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.042 -12.742 -10.594 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -6.756 -12.532 -12.998 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.425 -13.159 -11.783 1.00 0.00 C ATOM 0 H TRP A 25 -12.339 -9.565 -10.740 1.00 0.00 H new ATOM 0 HA TRP A 25 -11.924 -8.945 -13.596 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.616 -9.186 -13.469 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.009 -8.114 -12.139 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.133 -9.386 -9.647 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.693 -11.285 -8.676 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.977 -11.055 -13.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.797 -13.218 -9.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.266 -12.840 -13.910 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.699 -13.958 -11.766 1.00 0.00 H new ATOM 371 N ALA A 26 -11.304 -11.521 -13.949 1.00 0.00 N ATOM 372 CA ALA A 26 -11.252 -12.958 -14.175 1.00 0.00 C ATOM 373 C ALA A 26 -10.047 -13.246 -15.082 1.00 0.00 C ATOM 374 O ALA A 26 -9.728 -12.411 -15.934 1.00 0.00 O ATOM 375 CB ALA A 26 -12.552 -13.437 -14.831 1.00 0.00 C ATOM 0 H ALA A 26 -10.873 -10.982 -14.700 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.144 -13.491 -13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.502 -14.513 -14.995 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.395 -13.209 -14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.686 -12.930 -15.787 1.00 0.00 H new ATOM 381 N PRO A 27 -9.379 -14.404 -14.948 1.00 0.00 N ATOM 382 CA PRO A 27 -8.106 -14.659 -15.616 1.00 0.00 C ATOM 383 C PRO A 27 -8.252 -14.904 -17.119 1.00 0.00 C ATOM 384 O PRO A 27 -7.292 -14.705 -17.862 1.00 0.00 O ATOM 385 CB PRO A 27 -7.514 -15.878 -14.898 1.00 0.00 C ATOM 386 CG PRO A 27 -8.745 -16.632 -14.398 1.00 0.00 C ATOM 387 CD PRO A 27 -9.729 -15.510 -14.070 1.00 0.00 C ATOM 0 HA PRO A 27 -7.456 -13.786 -15.553 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.916 -16.490 -15.573 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.863 -15.582 -14.075 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.141 -17.306 -15.158 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.518 -17.238 -13.521 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.757 -15.831 -14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.652 -15.217 -13.023 1.00 0.00 H new ATOM 395 N TRP A 28 -9.434 -15.314 -17.589 1.00 0.00 N ATOM 396 CA TRP A 28 -9.690 -15.558 -19.003 1.00 0.00 C ATOM 397 C TRP A 28 -9.946 -14.258 -19.784 1.00 0.00 C ATOM 398 O TRP A 28 -10.088 -14.301 -21.007 1.00 0.00 O ATOM 399 CB TRP A 28 -10.847 -16.565 -19.131 1.00 0.00 C ATOM 400 CG TRP A 28 -12.047 -16.389 -18.238 1.00 0.00 C ATOM 401 CD1 TRP A 28 -12.682 -15.228 -17.960 1.00 0.00 C ATOM 402 CD2 TRP A 28 -12.772 -17.416 -17.488 1.00 0.00 C ATOM 403 NE1 TRP A 28 -13.765 -15.468 -17.139 1.00 0.00 N ATOM 404 CE2 TRP A 28 -13.855 -16.797 -16.792 1.00 0.00 C ATOM 405 CE3 TRP A 28 -12.622 -18.810 -17.320 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -14.734 -17.519 -15.969 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -13.499 -19.546 -16.498 1.00 0.00 C ATOM 408 CH2 TRP A 28 -14.552 -18.903 -15.822 1.00 0.00 C ATOM 0 H TRP A 28 -10.242 -15.486 -16.991 1.00 0.00 H new ATOM 0 HA TRP A 28 -8.798 -15.988 -19.458 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.195 -16.543 -20.164 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.442 -17.561 -18.952 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.385 -14.256 -18.326 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.418 -14.749 -16.828 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -11.820 -19.322 -17.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -15.540 -17.016 -15.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.362 -20.611 -16.386 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.219 -19.473 -15.192 1.00 0.00 H new ATOM 419 N CYS A 29 -10.022 -13.106 -19.106 1.00 0.00 N ATOM 420 CA CYS A 29 -10.348 -11.831 -19.724 1.00 0.00 C ATOM 421 C CYS A 29 -9.043 -11.103 -20.066 1.00 0.00 C ATOM 422 O CYS A 29 -8.338 -10.642 -19.167 1.00 0.00 O ATOM 423 CB CYS A 29 -11.221 -11.032 -18.752 1.00 0.00 C ATOM 424 SG CYS A 29 -11.732 -9.464 -19.509 1.00 0.00 S ATOM 0 H CYS A 29 -9.856 -13.041 -18.102 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.907 -11.963 -20.650 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.100 -11.615 -18.478 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.669 -10.837 -17.833 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.018 -9.320 -19.383 1.00 0.00 H new ATOM 430 N GLY A 30 -8.732 -10.977 -21.359 1.00 0.00 N ATOM 431 CA GLY A 30 -7.568 -10.240 -21.851 1.00 0.00 C ATOM 432 C GLY A 30 -7.474 -8.824 -21.270 1.00 0.00 C ATOM 433 O GLY A 30 -6.449 -8.494 -20.677 1.00 0.00 O ATOM 0 H GLY A 30 -9.292 -11.391 -22.104 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.662 -10.792 -21.601 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.615 -10.180 -22.938 1.00 0.00 H new ATOM 437 N PRO A 31 -8.519 -7.983 -21.358 1.00 0.00 N ATOM 438 CA PRO A 31 -8.534 -6.669 -20.722 1.00 0.00 C ATOM 439 C PRO A 31 -8.193 -6.673 -19.222 1.00 0.00 C ATOM 440 O PRO A 31 -7.534 -5.741 -18.762 1.00 0.00 O ATOM 441 CB PRO A 31 -9.927 -6.103 -21.009 1.00 0.00 C ATOM 442 CG PRO A 31 -10.284 -6.733 -22.352 1.00 0.00 C ATOM 443 CD PRO A 31 -9.656 -8.123 -22.259 1.00 0.00 C ATOM 0 HA PRO A 31 -7.741 -6.045 -21.134 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.641 -6.376 -20.232 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.917 -5.014 -21.064 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.363 -6.787 -22.498 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.877 -6.162 -23.186 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.371 -8.851 -21.876 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.337 -8.475 -23.240 1.00 0.00 H new ATOM 451 N CYS A 32 -8.565 -7.703 -18.449 1.00 0.00 N ATOM 452 CA CYS A 32 -8.112 -7.814 -17.059 1.00 0.00 C ATOM 453 C CYS A 32 -6.599 -8.069 -16.988 1.00 0.00 C ATOM 454 O CYS A 32 -5.923 -7.490 -16.140 1.00 0.00 O ATOM 455 CB CYS A 32 -8.820 -8.959 -16.317 1.00 0.00 C ATOM 456 SG CYS A 32 -10.605 -8.679 -16.162 1.00 0.00 S ATOM 0 H CYS A 32 -9.171 -8.462 -18.760 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.357 -6.865 -16.583 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.646 -9.895 -16.848 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.384 -9.070 -15.324 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.171 -8.836 -17.322 1.00 0.00 H new ATOM 462 N LYS A 33 -6.034 -8.899 -17.872 1.00 0.00 N ATOM 463 CA LYS A 33 -4.578 -9.069 -17.926 1.00 0.00 C ATOM 464 C LYS A 33 -3.900 -7.733 -18.227 1.00 0.00 C ATOM 465 O LYS A 33 -2.823 -7.473 -17.697 1.00 0.00 O ATOM 466 CB LYS A 33 -4.151 -10.123 -18.959 1.00 0.00 C ATOM 467 CG LYS A 33 -4.732 -11.516 -18.680 1.00 0.00 C ATOM 468 CD LYS A 33 -4.201 -12.528 -19.705 1.00 0.00 C ATOM 469 CE LYS A 33 -4.797 -13.915 -19.441 1.00 0.00 C ATOM 470 NZ LYS A 33 -4.283 -14.941 -20.383 1.00 0.00 N ATOM 0 H LYS A 33 -6.554 -9.456 -18.550 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.259 -9.427 -16.947 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.465 -9.798 -19.951 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.063 -10.187 -18.974 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.465 -11.834 -17.672 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.820 -11.479 -18.725 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.455 -12.202 -20.714 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.113 -12.575 -19.650 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.568 -14.217 -18.419 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.883 -13.862 -19.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.715 -15.861 -20.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.523 -14.669 -21.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.250 -15.013 -20.288 1.00 0.00 H new ATOM 484 N MET A 34 -4.527 -6.872 -19.035 1.00 0.00 N ATOM 485 CA MET A 34 -4.002 -5.548 -19.347 1.00 0.00 C ATOM 486 C MET A 34 -4.157 -4.591 -18.164 1.00 0.00 C ATOM 487 O MET A 34 -3.262 -3.779 -17.932 1.00 0.00 O ATOM 488 CB MET A 34 -4.686 -4.966 -20.592 1.00 0.00 C ATOM 489 CG MET A 34 -4.483 -5.852 -21.824 1.00 0.00 C ATOM 490 SD MET A 34 -2.768 -5.984 -22.405 1.00 0.00 S ATOM 491 CE MET A 34 -3.010 -7.162 -23.762 1.00 0.00 C ATOM 0 H MET A 34 -5.416 -7.079 -19.490 1.00 0.00 H new ATOM 0 HA MET A 34 -2.938 -5.662 -19.554 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.753 -4.851 -20.400 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.289 -3.971 -20.792 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.851 -6.853 -21.597 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.096 -5.463 -22.637 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.053 -7.365 -24.242 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.423 -8.091 -23.368 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.700 -6.739 -24.492 1.00 0.00 H new ATOM 501 N ILE A 35 -5.254 -4.664 -17.398 1.00 0.00 N ATOM 502 CA ILE A 35 -5.438 -3.784 -16.244 1.00 0.00 C ATOM 503 C ILE A 35 -4.476 -4.159 -15.110 1.00 0.00 C ATOM 504 O ILE A 35 -4.161 -3.304 -14.286 1.00 0.00 O ATOM 505 CB ILE A 35 -6.932 -3.713 -15.816 1.00 0.00 C ATOM 506 CG1 ILE A 35 -7.335 -2.311 -15.310 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.345 -4.714 -14.726 1.00 0.00 C ATOM 508 CD1 ILE A 35 -7.303 -1.253 -16.413 1.00 0.00 C ATOM 0 H ILE A 35 -6.020 -5.319 -17.557 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.174 -2.766 -16.531 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.453 -3.968 -16.739 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.338 -2.357 -14.886 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.662 -2.012 -14.506 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.403 -4.586 -14.497 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.171 -5.730 -15.080 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.755 -4.537 -13.827 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.595 -0.288 -16.000 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.295 -1.183 -16.821 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.996 -1.533 -17.206 1.00 0.00 H new ATOM 520 N ALA A 36 -3.982 -5.404 -15.064 1.00 0.00 N ATOM 521 CA ALA A 36 -3.104 -5.855 -13.987 1.00 0.00 C ATOM 522 C ALA A 36 -1.850 -4.971 -13.821 1.00 0.00 C ATOM 523 O ALA A 36 -1.670 -4.428 -12.728 1.00 0.00 O ATOM 524 CB ALA A 36 -2.777 -7.347 -14.144 1.00 0.00 C ATOM 0 H ALA A 36 -4.180 -6.117 -15.767 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.648 -5.740 -13.049 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.122 -7.663 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.699 -7.927 -14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.277 -7.511 -15.099 1.00 0.00 H new ATOM 530 N PRO A 37 -1.012 -4.729 -14.850 1.00 0.00 N ATOM 531 CA PRO A 37 0.140 -3.847 -14.702 1.00 0.00 C ATOM 532 C PRO A 37 -0.265 -2.389 -14.460 1.00 0.00 C ATOM 533 O PRO A 37 0.481 -1.675 -13.791 1.00 0.00 O ATOM 534 CB PRO A 37 0.973 -4.009 -15.978 1.00 0.00 C ATOM 535 CG PRO A 37 -0.038 -4.505 -17.009 1.00 0.00 C ATOM 536 CD PRO A 37 -0.984 -5.353 -16.163 1.00 0.00 C ATOM 0 HA PRO A 37 0.720 -4.121 -13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.426 -3.066 -16.283 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.785 -4.722 -15.838 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.558 -3.680 -17.496 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.438 -5.091 -17.795 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.981 -5.383 -16.603 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.633 -6.383 -16.099 1.00 0.00 H new ATOM 544 N VAL A 38 -1.428 -1.935 -14.948 1.00 0.00 N ATOM 545 CA VAL A 38 -1.923 -0.596 -14.643 1.00 0.00 C ATOM 546 C VAL A 38 -2.174 -0.479 -13.136 1.00 0.00 C ATOM 547 O VAL A 38 -1.782 0.515 -12.532 1.00 0.00 O ATOM 548 CB VAL A 38 -3.177 -0.258 -15.485 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.730 1.135 -15.149 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.855 -0.292 -16.986 1.00 0.00 C ATOM 0 H VAL A 38 -2.040 -2.480 -15.555 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.170 0.143 -14.917 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.925 -1.013 -15.242 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.610 1.335 -15.761 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.005 1.173 -14.095 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.968 1.888 -15.352 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.752 -0.051 -17.556 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.077 0.439 -17.208 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.507 -1.288 -17.261 1.00 0.00 H new ATOM 560 N LEU A 39 -2.782 -1.489 -12.508 1.00 0.00 N ATOM 561 CA LEU A 39 -3.030 -1.490 -11.074 1.00 0.00 C ATOM 562 C LEU A 39 -1.727 -1.621 -10.291 1.00 0.00 C ATOM 563 O LEU A 39 -1.611 -1.004 -9.237 1.00 0.00 O ATOM 564 CB LEU A 39 -4.006 -2.611 -10.691 1.00 0.00 C ATOM 565 CG LEU A 39 -5.436 -2.382 -11.218 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.261 -3.650 -11.014 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.143 -1.213 -10.524 1.00 0.00 C ATOM 0 H LEU A 39 -3.114 -2.327 -12.985 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.485 -0.535 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.631 -3.558 -11.079 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.037 -2.701 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.352 -2.135 -12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.273 -3.490 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.801 -4.475 -11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.299 -3.892 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.146 -1.098 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.210 -1.412 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.577 -0.296 -10.688 1.00 0.00 H new ATOM 579 N GLU A 40 -0.737 -2.373 -10.781 1.00 0.00 N ATOM 580 CA GLU A 40 0.570 -2.436 -10.129 1.00 0.00 C ATOM 581 C GLU A 40 1.276 -1.077 -10.188 1.00 0.00 C ATOM 582 O GLU A 40 1.871 -0.643 -9.200 1.00 0.00 O ATOM 583 CB GLU A 40 1.445 -3.540 -10.741 1.00 0.00 C ATOM 584 CG GLU A 40 0.952 -4.943 -10.358 1.00 0.00 C ATOM 585 CD GLU A 40 1.877 -6.039 -10.914 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.838 -6.438 -10.217 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.646 -6.530 -12.042 1.00 0.00 O ATOM 0 H GLU A 40 -0.817 -2.943 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 40 0.408 -2.687 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.448 -3.440 -11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.475 -3.414 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.899 -5.027 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.058 -5.091 -10.739 1.00 0.00 H new ATOM 594 N GLU A 41 1.203 -0.376 -11.321 1.00 0.00 N ATOM 595 CA GLU A 41 1.672 0.996 -11.443 1.00 0.00 C ATOM 596 C GLU A 41 0.931 1.900 -10.464 1.00 0.00 C ATOM 597 O GLU A 41 1.559 2.702 -9.779 1.00 0.00 O ATOM 598 CB GLU A 41 1.468 1.499 -12.880 1.00 0.00 C ATOM 599 CG GLU A 41 2.711 1.290 -13.749 1.00 0.00 C ATOM 600 CD GLU A 41 3.881 2.202 -13.329 1.00 0.00 C ATOM 601 OE1 GLU A 41 3.676 3.429 -13.172 1.00 0.00 O ATOM 602 OE2 GLU A 41 5.017 1.698 -13.173 1.00 0.00 O ATOM 0 H GLU A 41 0.812 -0.753 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 41 2.736 1.021 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.622 0.978 -13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.215 2.559 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.025 0.248 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.459 1.484 -14.792 1.00 0.00 H new ATOM 609 N LEU A 42 -0.392 1.765 -10.372 1.00 0.00 N ATOM 610 CA LEU A 42 -1.211 2.595 -9.505 1.00 0.00 C ATOM 611 C LEU A 42 -0.856 2.357 -8.035 1.00 0.00 C ATOM 612 O LEU A 42 -0.793 3.304 -7.253 1.00 0.00 O ATOM 613 CB LEU A 42 -2.698 2.301 -9.754 1.00 0.00 C ATOM 614 CG LEU A 42 -3.565 3.512 -9.383 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.642 4.501 -10.551 1.00 0.00 C ATOM 616 CD2 LEU A 42 -4.972 3.057 -9.000 1.00 0.00 C ATOM 0 H LEU A 42 -0.923 1.073 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.014 3.642 -9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.852 2.046 -10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.005 1.435 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.105 4.012 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.261 5.352 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.639 4.849 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.080 4.007 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.577 3.925 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.428 2.537 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.916 2.383 -8.145 1.00 0.00 H new ATOM 628 N ASP A 43 -0.587 1.103 -7.660 1.00 0.00 N ATOM 629 CA ASP A 43 -0.177 0.738 -6.314 1.00 0.00 C ATOM 630 C ASP A 43 1.188 1.344 -5.984 1.00 0.00 C ATOM 631 O ASP A 43 1.392 1.856 -4.883 1.00 0.00 O ATOM 632 CB ASP A 43 -0.110 -0.782 -6.137 1.00 0.00 C ATOM 633 CG ASP A 43 0.502 -1.104 -4.769 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.183 -0.928 -3.739 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.706 -1.435 -4.703 1.00 0.00 O ATOM 0 H ASP A 43 -0.651 0.308 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.928 1.134 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.108 -1.213 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.490 -1.226 -6.931 1.00 0.00 H new ATOM 640 N GLN A 44 2.124 1.312 -6.935 1.00 0.00 N ATOM 641 CA GLN A 44 3.436 1.920 -6.762 1.00 0.00 C ATOM 642 C GLN A 44 3.333 3.449 -6.670 1.00 0.00 C ATOM 643 O GLN A 44 4.078 4.074 -5.914 1.00 0.00 O ATOM 644 CB GLN A 44 4.344 1.488 -7.922 1.00 0.00 C ATOM 645 CG GLN A 44 4.820 0.037 -7.754 1.00 0.00 C ATOM 646 CD GLN A 44 5.458 -0.488 -9.038 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.676 -0.494 -9.201 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.641 -0.933 -9.978 1.00 0.00 N ATOM 0 H GLN A 44 1.990 0.865 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 44 3.870 1.577 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.805 1.588 -8.864 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.207 2.151 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.540 -0.020 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.976 -0.596 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.633 -0.920 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.019 -1.289 -10.856 1.00 0.00 H new ATOM 657 N GLU A 45 2.415 4.050 -7.428 1.00 0.00 N ATOM 658 CA GLU A 45 2.246 5.493 -7.520 1.00 0.00 C ATOM 659 C GLU A 45 1.590 6.052 -6.251 1.00 0.00 C ATOM 660 O GLU A 45 2.097 7.012 -5.668 1.00 0.00 O ATOM 661 CB GLU A 45 1.393 5.799 -8.766 1.00 0.00 C ATOM 662 CG GLU A 45 1.274 7.293 -9.091 1.00 0.00 C ATOM 663 CD GLU A 45 2.619 7.898 -9.525 1.00 0.00 C ATOM 664 OE1 GLU A 45 3.140 7.498 -10.590 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.156 8.779 -8.815 1.00 0.00 O ATOM 0 H GLU A 45 1.755 3.531 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 45 3.219 5.975 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.825 5.285 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.394 5.389 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.540 7.434 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.903 7.826 -8.216 1.00 0.00 H new ATOM 672 N MET A 46 0.478 5.449 -5.814 1.00 0.00 N ATOM 673 CA MET A 46 -0.401 5.999 -4.791 1.00 0.00 C ATOM 674 C MET A 46 -1.059 4.947 -3.888 1.00 0.00 C ATOM 675 O MET A 46 -1.944 5.305 -3.109 1.00 0.00 O ATOM 676 CB MET A 46 -1.445 6.868 -5.512 1.00 0.00 C ATOM 677 CG MET A 46 -2.258 6.145 -6.598 1.00 0.00 C ATOM 678 SD MET A 46 -3.698 7.038 -7.257 1.00 0.00 S ATOM 679 CE MET A 46 -3.047 8.713 -7.512 1.00 0.00 C ATOM 0 H MET A 46 0.163 4.547 -6.173 1.00 0.00 H new ATOM 0 HA MET A 46 0.198 6.591 -4.099 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.135 7.269 -4.770 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.936 7.718 -5.967 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.590 5.914 -7.428 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.602 5.194 -6.191 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.793 9.319 -8.026 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.815 9.164 -6.547 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.141 8.663 -8.116 1.00 0.00 H new ATOM 689 N GLY A 47 -0.635 3.678 -3.949 1.00 0.00 N ATOM 690 CA GLY A 47 -1.161 2.544 -3.182 1.00 0.00 C ATOM 691 C GLY A 47 -0.767 2.582 -1.708 1.00 0.00 C ATOM 692 O GLY A 47 -0.189 1.630 -1.185 1.00 0.00 O ATOM 0 H GLY A 47 0.126 3.401 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.248 2.533 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.800 1.616 -3.624 1.00 0.00 H new ATOM 696 N ASP A 48 -1.028 3.714 -1.071 1.00 0.00 N ATOM 697 CA ASP A 48 -0.960 3.979 0.356 1.00 0.00 C ATOM 698 C ASP A 48 -2.022 5.031 0.685 1.00 0.00 C ATOM 699 O ASP A 48 -2.735 4.904 1.680 1.00 0.00 O ATOM 700 CB ASP A 48 0.428 4.495 0.744 1.00 0.00 C ATOM 701 CG ASP A 48 0.459 4.903 2.226 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.489 4.011 3.103 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.472 6.118 2.522 1.00 0.00 O ATOM 0 H ASP A 48 -1.319 4.544 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.141 3.061 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.174 3.722 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.692 5.349 0.120 1.00 0.00 H new ATOM 708 N LYS A 49 -2.191 6.030 -0.199 1.00 0.00 N ATOM 709 CA LYS A 49 -3.307 6.971 -0.151 1.00 0.00 C ATOM 710 C LYS A 49 -4.632 6.253 -0.424 1.00 0.00 C ATOM 711 O LYS A 49 -5.659 6.655 0.123 1.00 0.00 O ATOM 712 CB LYS A 49 -3.082 8.135 -1.132 1.00 0.00 C ATOM 713 CG LYS A 49 -1.858 8.980 -0.728 1.00 0.00 C ATOM 714 CD LYS A 49 -1.704 10.281 -1.531 1.00 0.00 C ATOM 715 CE LYS A 49 -1.421 10.031 -3.020 1.00 0.00 C ATOM 716 NZ LYS A 49 -1.145 11.296 -3.752 1.00 0.00 N ATOM 0 H LYS A 49 -1.547 6.202 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.360 7.393 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.939 7.742 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.970 8.767 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.933 9.226 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.957 8.379 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.614 10.873 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.892 10.871 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.568 9.360 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.276 9.529 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.959 11.084 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.969 11.926 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.314 11.763 -3.337 1.00 0.00 H new ATOM 730 N LEU A 50 -4.608 5.174 -1.214 1.00 0.00 N ATOM 731 CA LEU A 50 -5.709 4.246 -1.394 1.00 0.00 C ATOM 732 C LEU A 50 -5.218 2.808 -1.256 1.00 0.00 C ATOM 733 O LEU A 50 -4.025 2.534 -1.395 1.00 0.00 O ATOM 734 CB LEU A 50 -6.436 4.486 -2.734 1.00 0.00 C ATOM 735 CG LEU A 50 -5.993 3.647 -3.956 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.100 3.661 -5.007 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.676 4.140 -4.550 1.00 0.00 C ATOM 0 H LEU A 50 -3.786 4.921 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.442 4.423 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.500 4.309 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.323 5.539 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.819 2.625 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.790 3.071 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.009 3.235 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.292 4.687 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.407 3.519 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.788 5.175 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.891 4.078 -3.796 1.00 0.00 H new ATOM 749 N LYS A 51 -6.160 1.890 -1.042 1.00 0.00 N ATOM 750 CA LYS A 51 -5.951 0.444 -1.100 1.00 0.00 C ATOM 751 C LYS A 51 -6.440 -0.039 -2.471 1.00 0.00 C ATOM 752 O LYS A 51 -7.339 0.581 -3.043 1.00 0.00 O ATOM 753 CB LYS A 51 -6.751 -0.176 0.059 1.00 0.00 C ATOM 754 CG LYS A 51 -6.534 -1.682 0.277 1.00 0.00 C ATOM 755 CD LYS A 51 -7.537 -2.269 1.282 1.00 0.00 C ATOM 756 CE LYS A 51 -7.414 -1.673 2.693 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.359 -2.326 3.621 1.00 0.00 N ATOM 0 H LYS A 51 -7.122 2.141 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.905 0.155 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.492 0.348 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.812 -0.001 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.628 -2.203 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.519 -1.854 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.549 -2.102 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.393 -3.348 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.394 -1.797 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.612 -0.602 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.157 -2.020 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.332 -2.060 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.254 -3.359 3.554 1.00 0.00 H new ATOM 771 N ILE A 52 -5.926 -1.161 -2.977 1.00 0.00 N ATOM 772 CA ILE A 52 -6.449 -1.820 -4.175 1.00 0.00 C ATOM 773 C ILE A 52 -6.855 -3.227 -3.730 1.00 0.00 C ATOM 774 O ILE A 52 -6.107 -3.844 -2.973 1.00 0.00 O ATOM 775 CB ILE A 52 -5.408 -1.815 -5.326 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.903 -0.373 -5.608 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.989 -2.481 -6.592 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.064 -0.207 -6.881 1.00 0.00 C ATOM 0 H ILE A 52 -5.128 -1.642 -2.563 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.309 -1.295 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.545 -2.405 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.766 0.290 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.309 -0.041 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.242 -2.466 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.261 -3.513 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.875 -1.935 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.762 0.835 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.177 -0.837 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.656 -0.501 -7.748 1.00 0.00 H new ATOM 790 N VAL A 53 -8.009 -3.740 -4.171 1.00 0.00 N ATOM 791 CA VAL A 53 -8.545 -5.031 -3.725 1.00 0.00 C ATOM 792 C VAL A 53 -9.006 -5.825 -4.945 1.00 0.00 C ATOM 793 O VAL A 53 -9.963 -5.458 -5.627 1.00 0.00 O ATOM 794 CB VAL A 53 -9.695 -4.822 -2.708 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.339 -6.138 -2.248 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.242 -4.091 -1.435 1.00 0.00 C ATOM 0 H VAL A 53 -8.602 -3.267 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.767 -5.598 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.417 -4.219 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.137 -5.924 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.752 -6.662 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.586 -6.764 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.091 -3.974 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.463 -4.671 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.850 -3.109 -1.699 1.00 0.00 H new ATOM 806 N LYS A 54 -8.336 -6.939 -5.219 1.00 0.00 N ATOM 807 CA LYS A 54 -8.782 -7.893 -6.225 1.00 0.00 C ATOM 808 C LYS A 54 -9.981 -8.670 -5.704 1.00 0.00 C ATOM 809 O LYS A 54 -9.997 -9.055 -4.531 1.00 0.00 O ATOM 810 CB LYS A 54 -7.638 -8.871 -6.513 1.00 0.00 C ATOM 811 CG LYS A 54 -6.444 -8.231 -7.230 1.00 0.00 C ATOM 812 CD LYS A 54 -6.870 -7.709 -8.607 1.00 0.00 C ATOM 813 CE LYS A 54 -5.650 -7.356 -9.450 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.001 -7.322 -10.891 1.00 0.00 N ATOM 0 H LYS A 54 -7.470 -7.205 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.066 -7.362 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.296 -9.303 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.018 -9.692 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.046 -7.412 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.643 -8.962 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.466 -8.464 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.503 -6.830 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.258 -6.386 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.860 -8.088 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.348 -6.686 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.926 -8.280 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.975 -6.976 -11.003 1.00 0.00 H new ATOM 828 N ILE A 55 -10.928 -8.973 -6.589 1.00 0.00 N ATOM 829 CA ILE A 55 -12.038 -9.876 -6.317 1.00 0.00 C ATOM 830 C ILE A 55 -12.452 -10.524 -7.651 1.00 0.00 C ATOM 831 O ILE A 55 -12.278 -9.923 -8.712 1.00 0.00 O ATOM 832 CB ILE A 55 -13.146 -9.090 -5.567 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.348 -10.000 -5.249 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.565 -7.797 -6.291 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.243 -9.450 -4.134 1.00 0.00 C ATOM 0 H ILE A 55 -10.943 -8.589 -7.534 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.780 -10.700 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.717 -8.763 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.944 -10.133 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.983 -10.986 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.342 -7.294 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.702 -7.139 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.948 -8.042 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.070 -10.138 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.660 -9.343 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.636 -8.477 -4.429 1.00 0.00 H new ATOM 847 N ASP A 56 -12.965 -11.758 -7.636 1.00 0.00 N ATOM 848 CA ASP A 56 -13.181 -12.543 -8.860 1.00 0.00 C ATOM 849 C ASP A 56 -14.642 -12.955 -8.957 1.00 0.00 C ATOM 850 O ASP A 56 -15.150 -13.652 -8.075 1.00 0.00 O ATOM 851 CB ASP A 56 -12.252 -13.764 -8.886 1.00 0.00 C ATOM 852 CG ASP A 56 -12.300 -14.522 -10.229 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.395 -14.728 -10.796 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.218 -14.951 -10.693 1.00 0.00 O ATOM 0 H ASP A 56 -13.242 -12.241 -6.781 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.941 -11.928 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.229 -13.441 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.530 -14.443 -8.080 1.00 0.00 H new ATOM 859 N VAL A 57 -15.323 -12.495 -10.009 1.00 0.00 N ATOM 860 CA VAL A 57 -16.759 -12.690 -10.209 1.00 0.00 C ATOM 861 C VAL A 57 -17.176 -14.166 -10.166 1.00 0.00 C ATOM 862 O VAL A 57 -18.294 -14.458 -9.736 1.00 0.00 O ATOM 863 CB VAL A 57 -17.224 -12.014 -11.521 1.00 0.00 C ATOM 864 CG1 VAL A 57 -17.077 -10.487 -11.434 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.478 -12.515 -12.772 1.00 0.00 C ATOM 0 H VAL A 57 -14.881 -11.966 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 57 -17.262 -12.209 -9.370 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.273 -12.290 -11.631 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.410 -10.036 -12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.684 -10.109 -10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.032 -10.231 -11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.857 -11.997 -13.653 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.412 -12.316 -12.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.637 -13.587 -12.885 1.00 0.00 H new ATOM 875 N ASP A 58 -16.297 -15.096 -10.553 1.00 0.00 N ATOM 876 CA ASP A 58 -16.608 -16.525 -10.647 1.00 0.00 C ATOM 877 C ASP A 58 -16.810 -17.173 -9.268 1.00 0.00 C ATOM 878 O ASP A 58 -17.260 -18.317 -9.178 1.00 0.00 O ATOM 879 CB ASP A 58 -15.502 -17.251 -11.426 1.00 0.00 C ATOM 880 CG ASP A 58 -15.864 -18.717 -11.721 1.00 0.00 C ATOM 881 OD1 ASP A 58 -16.870 -18.968 -12.423 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.109 -19.627 -11.308 1.00 0.00 O ATOM 0 H ASP A 58 -15.336 -14.874 -10.813 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.553 -16.620 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.318 -16.728 -12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.575 -17.216 -10.854 1.00 0.00 H new ATOM 887 N GLU A 59 -16.504 -16.445 -8.189 1.00 0.00 N ATOM 888 CA GLU A 59 -16.696 -16.879 -6.808 1.00 0.00 C ATOM 889 C GLU A 59 -17.393 -15.785 -5.979 1.00 0.00 C ATOM 890 O GLU A 59 -17.531 -15.934 -4.764 1.00 0.00 O ATOM 891 CB GLU A 59 -15.333 -17.257 -6.192 1.00 0.00 C ATOM 892 CG GLU A 59 -14.649 -18.443 -6.890 1.00 0.00 C ATOM 893 CD GLU A 59 -13.368 -18.866 -6.153 1.00 0.00 C ATOM 894 OE1 GLU A 59 -12.276 -18.330 -6.453 1.00 0.00 O ATOM 895 OE2 GLU A 59 -13.430 -19.756 -5.273 1.00 0.00 O ATOM 0 H GLU A 59 -16.104 -15.509 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.343 -17.756 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.672 -16.391 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.474 -17.499 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.338 -19.286 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.406 -18.172 -7.917 1.00 0.00 H new ATOM 902 N ASN A 60 -17.834 -14.683 -6.605 1.00 0.00 N ATOM 903 CA ASN A 60 -18.292 -13.474 -5.911 1.00 0.00 C ATOM 904 C ASN A 60 -19.499 -12.871 -6.620 1.00 0.00 C ATOM 905 O ASN A 60 -19.564 -11.664 -6.865 1.00 0.00 O ATOM 906 CB ASN A 60 -17.140 -12.468 -5.766 1.00 0.00 C ATOM 907 CG ASN A 60 -16.106 -12.982 -4.779 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.299 -12.894 -3.572 1.00 0.00 O ATOM 909 ND2 ASN A 60 -15.013 -13.545 -5.266 1.00 0.00 N ATOM 0 H ASN A 60 -17.882 -14.608 -7.621 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.614 -13.744 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.673 -12.299 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.529 -11.507 -5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.306 -13.919 -4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.877 -13.606 -6.275 1.00 0.00 H new ATOM 916 N GLN A 61 -20.460 -13.731 -6.955 1.00 0.00 N ATOM 917 CA GLN A 61 -21.744 -13.336 -7.515 1.00 0.00 C ATOM 918 C GLN A 61 -22.408 -12.324 -6.573 1.00 0.00 C ATOM 919 O GLN A 61 -22.935 -11.302 -7.005 1.00 0.00 O ATOM 920 CB GLN A 61 -22.676 -14.557 -7.680 1.00 0.00 C ATOM 921 CG GLN A 61 -22.141 -15.770 -8.465 1.00 0.00 C ATOM 922 CD GLN A 61 -21.030 -16.601 -7.803 1.00 0.00 C ATOM 923 OE1 GLN A 61 -20.237 -17.227 -8.497 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.916 -16.662 -6.481 1.00 0.00 N ATOM 0 H GLN A 61 -20.362 -14.740 -6.841 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.575 -12.894 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.957 -14.900 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -23.589 -14.218 -8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.980 -16.434 -8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.769 -15.413 -9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.568 -16.147 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.177 -17.224 -6.058 1.00 0.00 H new ATOM 933 N GLU A 62 -22.351 -12.619 -5.272 1.00 0.00 N ATOM 934 CA GLU A 62 -23.047 -11.908 -4.216 1.00 0.00 C ATOM 935 C GLU A 62 -22.489 -10.500 -4.023 1.00 0.00 C ATOM 936 O GLU A 62 -23.240 -9.589 -3.667 1.00 0.00 O ATOM 937 CB GLU A 62 -22.931 -12.709 -2.906 1.00 0.00 C ATOM 938 CG GLU A 62 -23.585 -14.104 -2.952 1.00 0.00 C ATOM 939 CD GLU A 62 -22.595 -15.238 -3.287 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.976 -15.209 -4.376 1.00 0.00 O ATOM 941 OE2 GLU A 62 -22.451 -16.177 -2.469 1.00 0.00 O ATOM 0 H GLU A 62 -21.792 -13.395 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 62 -24.095 -11.808 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.876 -12.824 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.388 -12.133 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.049 -14.311 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.383 -14.098 -3.695 1.00 0.00 H new ATOM 948 N THR A 63 -21.193 -10.295 -4.262 1.00 0.00 N ATOM 949 CA THR A 63 -20.580 -8.983 -4.179 1.00 0.00 C ATOM 950 C THR A 63 -20.767 -8.240 -5.492 1.00 0.00 C ATOM 951 O THR A 63 -21.195 -7.093 -5.474 1.00 0.00 O ATOM 952 CB THR A 63 -19.087 -9.055 -3.816 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.697 -10.372 -3.485 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.764 -8.119 -2.653 1.00 0.00 C ATOM 0 H THR A 63 -20.544 -11.039 -4.518 1.00 0.00 H new ATOM 0 HA THR A 63 -21.078 -8.440 -3.376 1.00 0.00 H new ATOM 0 HB THR A 63 -18.527 -8.739 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.941 -10.343 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.703 -8.188 -2.415 1.00 0.00 H new ATOM 0 HG22 THR A 63 -19.008 -7.094 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.351 -8.407 -1.781 1.00 0.00 H new ATOM 962 N ALA A 64 -20.496 -8.866 -6.639 1.00 0.00 N ATOM 963 CA ALA A 64 -20.561 -8.155 -7.906 1.00 0.00 C ATOM 964 C ALA A 64 -22.003 -7.700 -8.177 1.00 0.00 C ATOM 965 O ALA A 64 -22.251 -6.528 -8.476 1.00 0.00 O ATOM 966 CB ALA A 64 -20.029 -9.077 -9.009 1.00 0.00 C ATOM 0 H ALA A 64 -20.234 -9.849 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.943 -7.258 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.070 -8.559 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.997 -9.350 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.641 -9.978 -9.057 1.00 0.00 H new ATOM 972 N GLY A 65 -22.973 -8.595 -7.960 1.00 0.00 N ATOM 973 CA GLY A 65 -24.393 -8.304 -8.090 1.00 0.00 C ATOM 974 C GLY A 65 -24.855 -7.210 -7.125 1.00 0.00 C ATOM 975 O GLY A 65 -25.808 -6.492 -7.431 1.00 0.00 O ATOM 0 H GLY A 65 -22.783 -9.558 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.606 -7.995 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.966 -9.213 -7.906 1.00 0.00 H new ATOM 979 N LYS A 66 -24.154 -7.017 -5.999 1.00 0.00 N ATOM 980 CA LYS A 66 -24.429 -5.955 -5.028 1.00 0.00 C ATOM 981 C LYS A 66 -24.334 -4.566 -5.671 1.00 0.00 C ATOM 982 O LYS A 66 -25.011 -3.646 -5.212 1.00 0.00 O ATOM 983 CB LYS A 66 -23.452 -6.075 -3.844 1.00 0.00 C ATOM 984 CG LYS A 66 -24.114 -5.803 -2.490 1.00 0.00 C ATOM 985 CD LYS A 66 -23.095 -5.768 -1.339 1.00 0.00 C ATOM 986 CE LYS A 66 -22.134 -6.969 -1.225 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.810 -8.290 -1.127 1.00 0.00 N ATOM 0 H LYS A 66 -23.365 -7.607 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.450 -6.074 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.021 -7.076 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.629 -5.374 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.644 -4.852 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.858 -6.574 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.497 -4.863 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.644 -5.682 -0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.475 -6.975 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.503 -6.832 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.158 -8.983 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.656 -8.203 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.089 -8.609 -2.077 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.544 -4.422 -6.742 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.347 -3.164 -7.468 1.00 0.00 C ATOM 1003 C TYR A 67 -23.898 -3.258 -8.900 1.00 0.00 C ATOM 1004 O TYR A 67 -23.643 -2.370 -9.716 1.00 0.00 O ATOM 1005 CB TYR A 67 -21.858 -2.770 -7.443 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.165 -3.065 -6.125 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.505 -2.350 -4.961 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.286 -4.158 -6.045 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.001 -2.754 -3.711 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.788 -4.575 -4.802 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.164 -3.891 -3.623 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.768 -4.363 -2.408 1.00 0.00 O ATOM 0 H TYR A 67 -23.011 -5.197 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 67 -23.910 -2.375 -6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.339 -3.300 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.771 -1.705 -7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.154 -1.489 -5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -19.993 -4.679 -6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.253 -2.197 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.117 -5.419 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.800 -4.513 -2.415 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.644 -4.322 -9.224 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.193 -4.549 -10.557 1.00 0.00 C ATOM 1024 C GLY A 68 -24.114 -4.923 -11.577 1.00 0.00 C ATOM 1025 O GLY A 68 -24.241 -4.578 -12.753 1.00 0.00 O ATOM 0 H GLY A 68 -24.883 -5.055 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.936 -5.345 -10.510 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.710 -3.650 -10.892 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.050 -5.603 -11.143 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.919 -6.008 -11.971 1.00 0.00 C ATOM 1031 C VAL A 69 -21.961 -7.530 -12.109 1.00 0.00 C ATOM 1032 O VAL A 69 -22.220 -8.243 -11.139 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.609 -5.515 -11.311 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.353 -5.975 -12.068 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.582 -3.980 -11.208 1.00 0.00 C ATOM 0 H VAL A 69 -22.952 -5.895 -10.171 1.00 0.00 H new ATOM 0 HA VAL A 69 -21.967 -5.568 -12.967 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.595 -5.959 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.464 -5.600 -11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.323 -7.064 -12.095 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.380 -5.587 -13.086 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.650 -3.663 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.653 -3.547 -12.206 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.424 -3.641 -10.605 1.00 0.00 H new ATOM 1045 N MET A 70 -21.695 -8.028 -13.318 1.00 0.00 N ATOM 1046 CA MET A 70 -21.427 -9.441 -13.580 1.00 0.00 C ATOM 1047 C MET A 70 -20.558 -9.560 -14.847 1.00 0.00 C ATOM 1048 O MET A 70 -20.652 -10.529 -15.603 1.00 0.00 O ATOM 1049 CB MET A 70 -22.737 -10.258 -13.634 1.00 0.00 C ATOM 1050 CG MET A 70 -22.488 -11.733 -13.284 1.00 0.00 C ATOM 1051 SD MET A 70 -21.835 -12.018 -11.609 1.00 0.00 S ATOM 1052 CE MET A 70 -21.246 -13.720 -11.784 1.00 0.00 C ATOM 0 H MET A 70 -21.659 -7.449 -14.157 1.00 0.00 H new ATOM 0 HA MET A 70 -20.860 -9.878 -12.758 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.462 -9.834 -12.939 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.172 -10.187 -14.631 1.00 0.00 H new ATOM 0 HG2 MET A 70 -23.424 -12.281 -13.392 1.00 0.00 H new ATOM 0 HG3 MET A 70 -21.788 -12.151 -14.008 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.643 -13.987 -10.916 1.00 0.00 H new ATOM 0 HE2 MET A 70 -22.099 -14.395 -11.855 1.00 0.00 H new ATOM 0 HE3 MET A 70 -20.641 -13.805 -12.686 1.00 0.00 H new ATOM 1062 N SER A 71 -19.720 -8.547 -15.082 1.00 0.00 N ATOM 1063 CA SER A 71 -18.829 -8.412 -16.221 1.00 0.00 C ATOM 1064 C SER A 71 -17.499 -7.859 -15.707 1.00 0.00 C ATOM 1065 O SER A 71 -17.455 -7.268 -14.623 1.00 0.00 O ATOM 1066 CB SER A 71 -19.452 -7.471 -17.266 1.00 0.00 C ATOM 1067 OG SER A 71 -20.762 -7.884 -17.628 1.00 0.00 O ATOM 0 H SER A 71 -19.646 -7.757 -14.441 1.00 0.00 H new ATOM 0 HA SER A 71 -18.666 -9.376 -16.704 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.487 -6.457 -16.868 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.820 -7.444 -18.154 1.00 0.00 H new ATOM 0 HG SER A 71 -21.129 -7.264 -18.292 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.416 -8.054 -16.462 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.059 -7.713 -16.045 1.00 0.00 C ATOM 1075 C ILE A 72 -14.252 -7.189 -17.251 1.00 0.00 C ATOM 1076 O ILE A 72 -14.622 -7.506 -18.387 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.364 -8.930 -15.381 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.000 -10.113 -16.308 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.112 -9.413 -14.128 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.142 -10.999 -16.820 1.00 0.00 C ATOM 0 H ILE A 72 -16.461 -8.461 -17.396 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.108 -6.920 -15.298 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.397 -8.523 -15.087 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.475 -9.710 -17.174 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.294 -10.751 -15.775 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -14.588 -10.266 -13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.154 -8.606 -13.396 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.125 -9.709 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -14.735 -11.785 -17.457 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -15.660 -11.450 -15.974 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -15.843 -10.393 -17.394 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.157 -6.427 -17.046 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.750 -5.831 -15.780 1.00 0.00 C ATOM 1094 C PRO A 73 -13.773 -4.770 -15.385 1.00 0.00 C ATOM 1095 O PRO A 73 -14.212 -3.988 -16.232 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.365 -5.214 -16.011 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.284 -5.006 -17.521 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.244 -6.041 -18.105 1.00 0.00 C ATOM 0 HA PRO A 73 -12.700 -6.562 -14.973 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.256 -4.271 -15.474 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.573 -5.875 -15.659 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.577 -3.993 -17.798 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.269 -5.156 -17.888 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.791 -5.624 -18.951 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.696 -6.908 -18.475 1.00 0.00 H new ATOM 1106 N THR A 74 -14.122 -4.730 -14.103 1.00 0.00 N ATOM 1107 CA THR A 74 -14.989 -3.708 -13.554 1.00 0.00 C ATOM 1108 C THR A 74 -14.320 -3.200 -12.290 1.00 0.00 C ATOM 1109 O THR A 74 -14.143 -3.924 -11.308 1.00 0.00 O ATOM 1110 CB THR A 74 -16.414 -4.227 -13.334 1.00 0.00 C ATOM 1111 OG1 THR A 74 -16.977 -4.629 -14.565 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.295 -3.126 -12.735 1.00 0.00 C ATOM 0 H THR A 74 -13.806 -5.414 -13.415 1.00 0.00 H new ATOM 0 HA THR A 74 -15.117 -2.880 -14.251 1.00 0.00 H new ATOM 0 HB THR A 74 -16.366 -5.074 -12.650 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.326 -5.541 -14.483 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.304 -3.509 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.881 -2.809 -11.778 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.328 -2.275 -13.416 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.894 -1.946 -12.355 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.318 -1.239 -11.237 1.00 0.00 C ATOM 1122 C LEU A 75 -14.482 -0.692 -10.420 1.00 0.00 C ATOM 1123 O LEU A 75 -15.483 -0.230 -10.974 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.398 -0.121 -11.746 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.185 -0.626 -12.560 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.352 0.560 -13.053 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.275 -1.574 -11.768 1.00 0.00 C ATOM 0 H LEU A 75 -13.944 -1.387 -13.207 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.704 -1.890 -10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.980 0.560 -12.366 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.036 0.454 -10.894 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.595 -1.189 -13.399 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.500 0.193 -13.625 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.967 1.198 -13.687 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.995 1.134 -12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.444 -1.891 -12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.888 -1.058 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.846 -2.448 -11.453 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.335 -0.725 -9.104 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.326 -0.284 -8.135 1.00 0.00 C ATOM 1141 C LEU A 76 -14.560 0.658 -7.224 1.00 0.00 C ATOM 1142 O LEU A 76 -13.504 0.276 -6.721 1.00 0.00 O ATOM 1143 CB LEU A 76 -15.874 -1.502 -7.352 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.385 -1.768 -7.436 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.190 -0.631 -6.813 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -17.827 -2.048 -8.873 1.00 0.00 C ATOM 0 H LEU A 76 -13.484 -1.075 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.188 0.202 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.354 -2.392 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.611 -1.375 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.589 -2.666 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.254 -0.854 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.917 -0.525 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.974 0.299 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -18.901 -2.232 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.594 -1.187 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.302 -2.925 -9.251 1.00 0.00 H new ATOM 1158 N VAL A 77 -15.045 1.876 -7.014 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.340 2.862 -6.215 1.00 0.00 C ATOM 1160 C VAL A 77 -15.212 3.040 -4.988 1.00 0.00 C ATOM 1161 O VAL A 77 -16.396 3.364 -5.114 1.00 0.00 O ATOM 1162 CB VAL A 77 -14.109 4.173 -6.996 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -13.086 5.052 -6.257 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.601 3.940 -8.429 1.00 0.00 C ATOM 0 H VAL A 77 -15.934 2.204 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.334 2.544 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.079 4.666 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.929 5.975 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.462 5.289 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.141 4.516 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.458 4.900 -8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.652 3.404 -8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.332 3.351 -8.983 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.641 2.788 -3.815 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.319 2.888 -2.530 1.00 0.00 C ATOM 1176 C LEU A 78 -14.478 3.779 -1.623 1.00 0.00 C ATOM 1177 O LEU A 78 -13.280 3.955 -1.855 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.547 1.499 -1.897 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.413 0.549 -2.756 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.561 -0.430 -3.569 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.409 -0.245 -1.904 1.00 0.00 C ATOM 0 H LEU A 78 -13.666 2.500 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.308 3.325 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.580 1.030 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.023 1.628 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.965 1.191 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.212 -1.077 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.904 0.127 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.960 -1.038 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.997 -0.900 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.866 -0.845 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.074 0.445 -1.384 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.092 4.339 -0.585 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.422 5.175 0.396 1.00 0.00 C ATOM 1195 C LYS A 79 -15.091 4.929 1.735 1.00 0.00 C ATOM 1196 O LYS A 79 -16.305 5.091 1.838 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.513 6.648 -0.037 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.691 7.575 0.874 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.632 8.994 0.285 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.530 9.831 0.953 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.359 11.140 0.279 1.00 0.00 N ATOM 0 H LYS A 79 -16.088 4.220 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.362 4.932 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.160 6.745 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.556 6.964 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.136 7.606 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.682 7.180 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.448 8.937 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.596 9.485 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.778 9.990 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.589 9.282 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.404 11.506 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.487 11.022 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.066 11.812 0.641 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.303 4.540 2.741 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.730 4.349 4.130 1.00 0.00 C ATOM 1217 C ASP A 80 -16.058 3.574 4.263 1.00 0.00 C ATOM 1218 O ASP A 80 -16.886 3.860 5.131 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.723 5.706 4.856 1.00 0.00 C ATOM 1220 CG ASP A 80 -14.933 5.571 6.376 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.273 4.719 7.014 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.707 6.367 6.956 1.00 0.00 O ATOM 0 H ASP A 80 -13.312 4.342 2.605 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.010 3.699 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.774 6.208 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.507 6.339 4.440 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.278 2.594 3.380 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.358 1.623 3.489 1.00 0.00 C ATOM 1229 C GLY A 81 -18.522 1.839 2.525 1.00 0.00 C ATOM 1230 O GLY A 81 -19.473 1.057 2.579 1.00 0.00 O ATOM 0 H GLY A 81 -15.695 2.456 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.948 0.627 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.742 1.643 4.509 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.483 2.843 1.640 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.548 3.097 0.677 1.00 0.00 C ATOM 1236 C GLU A 82 -18.956 3.267 -0.721 1.00 0.00 C ATOM 1237 O GLU A 82 -17.849 3.785 -0.872 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.380 4.302 1.140 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.755 5.686 0.901 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.654 6.807 1.456 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.542 7.302 0.725 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.479 7.217 2.627 1.00 0.00 O ATOM 0 H GLU A 82 -17.706 3.501 1.576 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.227 2.246 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.344 4.269 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.577 4.194 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.776 5.733 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.598 5.837 -0.167 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.679 2.809 -1.741 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.321 3.003 -3.137 1.00 0.00 C ATOM 1251 C VAL A 83 -19.475 4.479 -3.494 1.00 0.00 C ATOM 1252 O VAL A 83 -20.419 5.153 -3.072 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.120 2.017 -4.018 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.645 2.181 -3.938 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.662 2.074 -5.478 1.00 0.00 C ATOM 0 H VAL A 83 -20.544 2.284 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.274 2.766 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.898 1.034 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -22.124 1.449 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -21.974 2.025 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.920 3.186 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.245 1.368 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.809 3.082 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.605 1.813 -5.538 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.528 4.958 -4.293 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.458 6.313 -4.804 1.00 0.00 C ATOM 1267 C VAL A 84 -18.292 6.309 -6.330 1.00 0.00 C ATOM 1268 O VAL A 84 -18.622 7.325 -6.941 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.372 7.131 -4.063 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.685 7.264 -2.563 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.954 6.558 -4.208 1.00 0.00 C ATOM 0 H VAL A 84 -17.752 4.379 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.402 6.820 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.394 8.108 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.900 7.844 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.642 7.769 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.735 6.273 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.250 7.186 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.927 5.546 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.677 6.535 -5.262 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.875 5.200 -6.966 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.917 5.091 -8.434 1.00 0.00 C ATOM 1283 C GLU A 85 -17.870 3.627 -8.892 1.00 0.00 C ATOM 1284 O GLU A 85 -17.550 2.730 -8.113 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.766 5.899 -9.087 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.237 7.069 -9.972 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.951 6.634 -11.265 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.993 5.946 -11.186 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.498 7.018 -12.367 1.00 0.00 O ATOM 0 H GLU A 85 -17.509 4.375 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.866 5.516 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.120 6.290 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.160 5.223 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.911 7.700 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.374 7.681 -10.235 1.00 0.00 H new ATOM 1296 N THR A 86 -18.162 3.380 -10.170 1.00 0.00 N ATOM 1297 CA THR A 86 -17.981 2.106 -10.863 1.00 0.00 C ATOM 1298 C THR A 86 -17.590 2.420 -12.315 1.00 0.00 C ATOM 1299 O THR A 86 -18.131 3.356 -12.912 1.00 0.00 O ATOM 1300 CB THR A 86 -19.291 1.298 -10.776 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.554 0.976 -9.426 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.293 0.009 -11.609 1.00 0.00 C ATOM 0 H THR A 86 -18.551 4.100 -10.779 1.00 0.00 H new ATOM 0 HA THR A 86 -17.195 1.502 -10.410 1.00 0.00 H new ATOM 0 HB THR A 86 -20.069 1.937 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.387 0.464 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.250 -0.499 -11.492 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.139 0.255 -12.660 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.491 -0.646 -11.268 1.00 0.00 H new ATOM 1310 N SER A 87 -16.676 1.637 -12.893 1.00 0.00 N ATOM 1311 CA SER A 87 -16.169 1.829 -14.253 1.00 0.00 C ATOM 1312 C SER A 87 -15.881 0.456 -14.866 1.00 0.00 C ATOM 1313 O SER A 87 -15.468 -0.452 -14.149 1.00 0.00 O ATOM 1314 CB SER A 87 -14.886 2.678 -14.210 1.00 0.00 C ATOM 1315 OG SER A 87 -15.048 3.872 -13.459 1.00 0.00 O ATOM 0 H SER A 87 -16.260 0.836 -12.419 1.00 0.00 H new ATOM 0 HA SER A 87 -16.908 2.350 -14.862 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.078 2.088 -13.778 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.587 2.930 -15.227 1.00 0.00 H new ATOM 0 HG SER A 87 -14.207 4.375 -13.460 1.00 0.00 H new ATOM 1321 N VAL A 88 -16.070 0.292 -16.177 1.00 0.00 N ATOM 1322 CA VAL A 88 -16.019 -1.012 -16.839 1.00 0.00 C ATOM 1323 C VAL A 88 -15.039 -0.918 -18.013 1.00 0.00 C ATOM 1324 O VAL A 88 -14.891 0.144 -18.626 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.445 -1.435 -17.279 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.478 -2.853 -17.872 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.455 -1.401 -16.117 1.00 0.00 C ATOM 0 H VAL A 88 -16.264 1.066 -16.813 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.661 -1.785 -16.159 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.726 -0.705 -18.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.498 -3.101 -18.164 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.829 -2.897 -18.747 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -17.130 -3.568 -17.126 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.437 -1.706 -16.479 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.130 -2.084 -15.332 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.514 -0.389 -15.716 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.372 -2.028 -18.328 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.408 -2.122 -19.413 1.00 0.00 C ATOM 1339 C GLY A 89 -12.064 -1.510 -19.025 1.00 0.00 C ATOM 1340 O GLY A 89 -11.916 -0.903 -17.959 1.00 0.00 O ATOM 0 H GLY A 89 -14.493 -2.905 -17.821 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.267 -3.168 -19.686 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.800 -1.613 -20.294 1.00 0.00 H new ATOM 1344 N PHE A 90 -11.069 -1.685 -19.896 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.725 -1.154 -19.692 1.00 0.00 C ATOM 1346 C PHE A 90 -9.753 0.379 -19.603 1.00 0.00 C ATOM 1347 O PHE A 90 -10.639 1.028 -20.170 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.808 -1.643 -20.826 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.374 -1.160 -20.716 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.473 -1.817 -19.857 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.954 -0.024 -21.437 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -5.161 -1.331 -19.715 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.642 0.461 -21.290 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.745 -0.193 -20.428 1.00 0.00 C ATOM 0 H PHE A 90 -11.176 -2.203 -20.768 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.328 -1.520 -18.745 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.813 -2.733 -20.838 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.219 -1.312 -21.780 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.788 -2.692 -19.308 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.641 0.475 -22.104 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.470 -1.834 -19.055 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.324 1.335 -21.839 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.737 0.178 -20.313 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.771 0.962 -18.910 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.499 2.398 -18.884 1.00 0.00 C ATOM 1366 C LYS A 91 -7.009 2.584 -18.576 1.00 0.00 C ATOM 1367 O LYS A 91 -6.445 1.752 -17.862 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.385 3.091 -17.827 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.476 3.950 -18.495 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.779 4.011 -17.688 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.554 2.681 -17.639 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.963 2.192 -18.980 1.00 0.00 N ATOM 0 H LYS A 91 -8.122 0.427 -18.332 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.734 2.854 -19.846 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.850 2.340 -17.188 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.767 3.718 -17.184 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.096 4.962 -18.636 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.689 3.549 -19.486 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.548 4.322 -16.669 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.423 4.778 -18.117 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.935 1.925 -17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.442 2.808 -17.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.696 1.462 -18.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.341 2.984 -19.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.139 1.787 -19.468 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.362 3.643 -19.096 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.949 3.897 -18.853 1.00 0.00 C ATOM 1388 C PRO A 92 -4.716 4.377 -17.416 1.00 0.00 C ATOM 1389 O PRO A 92 -5.632 4.878 -16.752 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.553 4.962 -19.884 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.848 5.743 -20.101 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.927 4.671 -19.961 1.00 0.00 C ATOM 0 HA PRO A 92 -4.343 2.997 -18.960 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.754 5.604 -19.512 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.195 4.512 -20.810 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.969 6.536 -19.363 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.874 6.215 -21.083 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.837 5.087 -19.529 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.196 4.258 -20.933 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.458 4.294 -16.962 1.00 0.00 N ATOM 1401 CA LYS A 93 -3.048 4.762 -15.636 1.00 0.00 C ATOM 1402 C LYS A 93 -3.455 6.212 -15.421 1.00 0.00 C ATOM 1403 O LYS A 93 -3.940 6.530 -14.344 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.525 4.602 -15.460 1.00 0.00 C ATOM 1405 CG LYS A 93 -1.012 5.050 -14.079 1.00 0.00 C ATOM 1406 CD LYS A 93 0.513 5.207 -14.122 1.00 0.00 C ATOM 1407 CE LYS A 93 1.006 5.818 -12.809 1.00 0.00 C ATOM 1408 NZ LYS A 93 2.484 5.921 -12.774 1.00 0.00 N ATOM 0 H LYS A 93 -2.694 3.898 -17.509 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.555 4.152 -14.888 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.258 3.557 -15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.016 5.179 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.477 5.994 -13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.291 4.318 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.984 4.237 -14.282 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.799 5.842 -14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.569 6.808 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.664 5.209 -11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.779 6.386 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.900 4.969 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.812 6.481 -13.587 1.00 0.00 H new ATOM 1422 N GLU A 94 -3.260 7.093 -16.405 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.419 8.524 -16.197 1.00 0.00 C ATOM 1424 C GLU A 94 -4.860 8.877 -15.836 1.00 0.00 C ATOM 1425 O GLU A 94 -5.098 9.644 -14.902 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.921 9.264 -17.447 1.00 0.00 C ATOM 1427 CG GLU A 94 -2.817 10.769 -17.197 1.00 0.00 C ATOM 1428 CD GLU A 94 -2.245 11.512 -18.417 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -3.021 11.907 -19.315 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -1.012 11.726 -18.485 1.00 0.00 O ATOM 0 H GLU A 94 -2.991 6.834 -17.354 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.817 8.843 -15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.946 8.874 -17.739 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.601 9.077 -18.278 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.803 11.167 -16.958 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.182 10.951 -16.330 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.818 8.258 -16.521 1.00 0.00 N ATOM 1438 CA ALA A 95 -7.229 8.416 -16.228 1.00 0.00 C ATOM 1439 C ALA A 95 -7.571 7.820 -14.865 1.00 0.00 C ATOM 1440 O ALA A 95 -8.334 8.410 -14.104 1.00 0.00 O ATOM 1441 CB ALA A 95 -8.017 7.690 -17.312 1.00 0.00 C ATOM 0 H ALA A 95 -5.629 7.628 -17.301 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.481 9.476 -16.206 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.084 7.793 -17.116 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.783 8.124 -18.284 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.748 6.634 -17.312 1.00 0.00 H new ATOM 1447 N LEU A 96 -7.012 6.652 -14.549 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.313 5.957 -13.311 1.00 0.00 C ATOM 1449 C LEU A 96 -6.766 6.725 -12.107 1.00 0.00 C ATOM 1450 O LEU A 96 -7.469 6.869 -11.110 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.763 4.527 -13.392 1.00 0.00 C ATOM 1452 CG LEU A 96 -7.106 3.657 -12.169 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.609 3.624 -11.860 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.600 2.237 -12.441 1.00 0.00 C ATOM 0 H LEU A 96 -6.341 6.168 -15.146 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.393 5.900 -13.172 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.156 4.047 -14.289 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.679 4.571 -13.502 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.622 4.092 -11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.787 2.995 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.961 4.635 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.148 3.218 -12.716 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.831 1.599 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.087 1.842 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.521 2.259 -12.596 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.548 7.267 -12.196 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.986 8.056 -11.108 1.00 0.00 C ATOM 1468 C GLN A 97 -5.709 9.396 -11.006 1.00 0.00 C ATOM 1469 O GLN A 97 -5.862 9.912 -9.902 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.452 8.186 -11.199 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.896 9.015 -12.361 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.929 10.528 -12.145 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.347 11.060 -11.204 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.599 11.247 -13.027 1.00 0.00 N ATOM 0 H GLN A 97 -4.938 7.172 -13.008 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.157 7.523 -10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.092 8.623 -10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.030 7.183 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.865 8.711 -12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.463 8.779 -13.261 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.076 10.788 -13.802 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.639 12.262 -12.933 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.204 9.942 -12.124 1.00 0.00 N ATOM 1484 CA GLU A 98 -7.001 11.157 -12.099 1.00 0.00 C ATOM 1485 C GLU A 98 -8.276 10.867 -11.305 1.00 0.00 C ATOM 1486 O GLU A 98 -8.584 11.586 -10.355 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.302 11.644 -13.527 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.116 12.943 -13.517 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.591 13.355 -14.919 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -7.758 13.697 -15.787 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -9.825 13.384 -15.136 1.00 0.00 O ATOM 0 H GLU A 98 -6.061 9.554 -13.056 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.453 11.965 -11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.366 11.804 -14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.851 10.873 -14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.982 12.820 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.510 13.744 -13.093 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.962 9.775 -11.646 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.207 9.368 -11.005 1.00 0.00 C ATOM 1500 C LEU A 99 -9.993 9.176 -9.506 1.00 0.00 C ATOM 1501 O LEU A 99 -10.773 9.689 -8.706 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.734 8.081 -11.669 1.00 0.00 C ATOM 1503 CG LEU A 99 -12.019 7.517 -11.028 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.191 8.502 -11.119 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.402 6.207 -11.726 1.00 0.00 C ATOM 0 H LEU A 99 -8.661 9.141 -12.386 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.955 10.150 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.926 8.282 -12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.956 7.319 -11.626 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.813 7.343 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.073 8.061 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.931 9.425 -10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.402 8.720 -12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.310 5.806 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.576 6.397 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.593 5.485 -11.615 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.924 8.479 -9.115 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.630 8.258 -7.709 1.00 0.00 C ATOM 1519 C VAL A 100 -8.348 9.593 -7.024 1.00 0.00 C ATOM 1520 O VAL A 100 -8.954 9.862 -5.989 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.487 7.238 -7.545 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.946 7.214 -6.108 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.998 5.831 -7.905 1.00 0.00 C ATOM 0 H VAL A 100 -8.251 8.060 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.498 7.821 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.679 7.538 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.142 6.482 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.564 8.201 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.748 6.942 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.189 5.109 -7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.821 5.563 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.346 5.823 -8.938 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.486 10.453 -7.577 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.136 11.709 -6.909 1.00 0.00 C ATOM 1535 C ASN A 101 -8.340 12.647 -6.768 1.00 0.00 C ATOM 1536 O ASN A 101 -8.396 13.424 -5.818 1.00 0.00 O ATOM 1537 CB ASN A 101 -5.907 12.390 -7.538 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.211 13.673 -8.305 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -5.944 14.774 -7.834 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.758 13.559 -9.500 1.00 0.00 N ATOM 0 H ASN A 101 -7.023 10.305 -8.474 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.839 11.450 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.190 12.616 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.424 11.684 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.965 14.394 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.973 12.636 -9.876 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.328 12.539 -7.662 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.605 13.238 -7.525 1.00 0.00 C ATOM 1549 C LYS A 102 -11.442 12.704 -6.350 1.00 0.00 C ATOM 1550 O LYS A 102 -12.233 13.471 -5.800 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.390 13.166 -8.847 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.816 14.130 -9.899 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.478 13.938 -11.271 1.00 0.00 C ATOM 1554 CE LYS A 102 -11.052 15.074 -12.215 1.00 0.00 C ATOM 1555 NZ LYS A 102 -11.576 14.905 -13.593 1.00 0.00 N ATOM 0 H LYS A 102 -9.262 11.963 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.389 14.282 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.362 12.147 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.437 13.408 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.960 15.158 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.741 13.972 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.191 12.975 -11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.563 13.928 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.402 16.025 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.964 15.123 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.575 15.824 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.973 14.237 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.547 14.535 -13.552 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.279 11.439 -5.944 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.996 10.846 -4.813 1.00 0.00 C ATOM 1571 C HIS A 103 -11.207 10.898 -3.497 1.00 0.00 C ATOM 1572 O HIS A 103 -11.828 10.774 -2.439 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.391 9.394 -5.134 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.557 9.284 -6.085 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.864 9.638 -5.820 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.532 8.775 -7.356 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.602 9.350 -6.906 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.830 8.824 -7.874 1.00 0.00 N ATOM 0 H HIS A 103 -10.636 10.791 -6.399 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.891 11.451 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.532 8.879 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.640 8.880 -4.206 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.210 10.047 -4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.659 8.400 -7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.666 9.517 -6.990 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.878 11.068 -3.524 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.060 11.229 -2.317 1.00 0.00 C ATOM 1588 C LEU A 104 -9.598 12.387 -1.480 1.00 0.00 C ATOM 1589 O LEU A 104 -9.848 12.176 -0.276 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.567 11.452 -2.635 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.801 10.251 -3.221 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.334 10.637 -3.434 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.865 8.997 -2.342 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.760 13.501 -2.023 1.00 0.00 O ATOM 0 H LEU A 104 -9.339 11.098 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.128 10.299 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.488 12.282 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.066 11.762 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.286 10.004 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.791 9.788 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.276 11.478 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.890 10.921 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.304 8.191 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.432 9.215 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.904 8.692 -2.218 1.00 0.00 H new TER 1606 LEU A 104