USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 681 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 54 MET CE :methyl -172:sc= -1.91 (180deg=-2.21) USER MOD Set 1.2: A 74 CYS SG : rot 84:sc= 0.814 USER MOD Set 1.3: A 77 MET CE :methyl 150:sc= -2.07 (180deg=-4.52!) USER MOD Set 2.1: A 38 HIS :FLIP no HD1:sc= -0.687 F(o=-1.3,f=-0.78) USER MOD Set 2.2: A 39 ASN : amide:sc= -0.0905 K(o=-0.78,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.00694 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.208 K(o=0.21,f=-0.78) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -173:sc= -1.33 (180deg=-1.42!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 150:sc= -0.496 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.571 K(o=-0.57,f=-4.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.333 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.301 USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00186 F(o=-2.8,f=-0.0019) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.151 (180deg=-0.57) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.397) USER MOD Single : A 56 SER OG : rot 109:sc= 0.0566 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -49:sc=0.000673 USER MOD Single : A 64 MET CE :methyl -155:sc= -1.22 (180deg=-4.16!) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.66 F(o=-3.5!,f=-1.7) USER MOD Single : A 71 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.17 K(o=1.2,f=-0.039) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.623 -13.145 -4.123 1.00 0.00 N ATOM 2 CA GLY A 1 -1.216 -13.128 -3.694 1.00 0.00 C ATOM 3 C GLY A 1 -0.496 -14.355 -4.207 1.00 0.00 C ATOM 4 O GLY A 1 -0.617 -14.692 -5.390 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.934 -12.175 -4.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.718 -13.731 -4.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.213 -13.541 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.726 -12.228 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.161 -13.094 -2.606 1.00 0.00 H new ATOM 8 N HIS A 2 0.300 -15.002 -3.361 1.00 0.00 N ATOM 9 CA HIS A 2 0.898 -16.299 -3.635 1.00 0.00 C ATOM 10 C HIS A 2 1.358 -16.895 -2.308 1.00 0.00 C ATOM 11 O HIS A 2 1.452 -16.168 -1.317 1.00 0.00 O ATOM 12 CB HIS A 2 2.084 -16.144 -4.603 1.00 0.00 C ATOM 13 CG HIS A 2 1.941 -16.993 -5.836 1.00 0.00 C ATOM 14 ND1 HIS A 2 0.910 -16.890 -6.739 1.00 0.00 N ATOM 15 CD2 HIS A 2 2.792 -17.973 -6.271 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.145 -17.774 -7.720 1.00 0.00 C ATOM 17 NE2 HIS A 2 2.267 -18.471 -7.470 1.00 0.00 N ATOM 0 H HIS A 2 0.551 -14.628 -2.446 1.00 0.00 H new ATOM 0 HA HIS A 2 0.171 -16.961 -4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 2 2.175 -15.098 -4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.006 -16.412 -4.087 1.00 0.00 H new ATOM 0 HD1 HIS A 2 0.112 -16.257 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.697 -18.300 -5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.519 -17.907 -8.590 1.00 0.00 H new ATOM 25 N SER A 3 1.723 -18.178 -2.304 1.00 0.00 N ATOM 26 CA SER A 3 2.045 -18.948 -1.108 1.00 0.00 C ATOM 27 C SER A 3 0.827 -19.064 -0.192 1.00 0.00 C ATOM 28 O SER A 3 0.098 -20.051 -0.326 1.00 0.00 O ATOM 29 CB SER A 3 3.329 -18.427 -0.454 1.00 0.00 C ATOM 30 OG SER A 3 4.412 -18.629 -1.349 1.00 0.00 O ATOM 0 H SER A 3 1.804 -18.724 -3.162 1.00 0.00 H new ATOM 0 HA SER A 3 2.279 -19.978 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.229 -17.368 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.513 -18.949 0.485 1.00 0.00 H new ATOM 0 HG SER A 3 5.239 -18.298 -0.942 1.00 0.00 H new ATOM 36 N LYS A 4 0.567 -18.086 0.678 1.00 0.00 N ATOM 37 CA LYS A 4 -0.581 -18.077 1.572 1.00 0.00 C ATOM 38 C LYS A 4 -1.013 -16.629 1.825 1.00 0.00 C ATOM 39 O LYS A 4 -0.853 -15.757 0.971 1.00 0.00 O ATOM 40 CB LYS A 4 -0.273 -18.904 2.841 1.00 0.00 C ATOM 41 CG LYS A 4 0.875 -18.358 3.713 1.00 0.00 C ATOM 42 CD LYS A 4 0.699 -18.810 5.171 1.00 0.00 C ATOM 43 CE LYS A 4 1.667 -18.112 6.134 1.00 0.00 C ATOM 44 NZ LYS A 4 3.052 -18.594 5.981 1.00 0.00 N ATOM 0 H LYS A 4 1.163 -17.265 0.779 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.442 -18.569 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.176 -18.958 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.028 -19.923 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.832 -18.711 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.893 -17.269 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.325 -18.611 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.848 -19.888 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.637 -17.036 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.338 -18.278 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.670 -18.094 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.087 -19.616 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.377 -18.413 5.010 1.00 0.00 H new ATOM 58 N MET A 5 -1.664 -16.388 2.956 1.00 0.00 N ATOM 59 CA MET A 5 -1.900 -15.065 3.523 1.00 0.00 C ATOM 60 C MET A 5 -0.549 -14.437 3.880 1.00 0.00 C ATOM 61 O MET A 5 0.233 -15.039 4.613 1.00 0.00 O ATOM 62 CB MET A 5 -2.784 -15.182 4.781 1.00 0.00 C ATOM 63 CG MET A 5 -2.345 -16.319 5.725 1.00 0.00 C ATOM 64 SD MET A 5 -2.276 -15.938 7.484 1.00 0.00 S ATOM 65 CE MET A 5 -0.833 -14.847 7.517 1.00 0.00 C ATOM 0 H MET A 5 -2.057 -17.137 3.526 1.00 0.00 H new ATOM 0 HA MET A 5 -2.416 -14.436 2.798 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.760 -14.237 5.324 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.818 -15.349 4.477 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.027 -17.157 5.586 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.357 -16.657 5.412 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.574 -14.617 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.009 -15.342 7.033 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.063 -13.923 6.987 1.00 0.00 H new ATOM 75 N SER A 6 -0.290 -13.215 3.427 1.00 0.00 N ATOM 76 CA SER A 6 1.006 -12.555 3.583 1.00 0.00 C ATOM 77 C SER A 6 1.046 -11.634 4.815 1.00 0.00 C ATOM 78 O SER A 6 1.725 -10.606 4.814 1.00 0.00 O ATOM 79 CB SER A 6 1.326 -11.827 2.274 1.00 0.00 C ATOM 80 OG SER A 6 1.060 -12.672 1.160 1.00 0.00 O ATOM 0 H SER A 6 -0.980 -12.647 2.936 1.00 0.00 H new ATOM 0 HA SER A 6 1.782 -13.297 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.729 -10.918 2.200 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.373 -11.522 2.266 1.00 0.00 H new ATOM 0 HG SER A 6 1.267 -12.194 0.330 1.00 0.00 H new ATOM 86 N ASP A 7 0.302 -11.999 5.864 1.00 0.00 N ATOM 87 CA ASP A 7 0.194 -11.317 7.166 1.00 0.00 C ATOM 88 C ASP A 7 -0.579 -9.990 7.059 1.00 0.00 C ATOM 89 O ASP A 7 -0.235 -8.967 7.642 1.00 0.00 O ATOM 90 CB ASP A 7 1.568 -11.231 7.884 1.00 0.00 C ATOM 91 CG ASP A 7 1.764 -12.318 8.942 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.709 -13.513 8.576 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.943 -11.991 10.139 1.00 0.00 O ATOM 0 H ASP A 7 -0.282 -12.835 5.828 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.420 -11.929 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.363 -11.307 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.664 -10.253 8.355 1.00 0.00 H new ATOM 98 N VAL A 8 -1.698 -10.015 6.337 1.00 0.00 N ATOM 99 CA VAL A 8 -2.389 -8.834 5.834 1.00 0.00 C ATOM 100 C VAL A 8 -3.442 -8.294 6.809 1.00 0.00 C ATOM 101 O VAL A 8 -4.625 -8.201 6.478 1.00 0.00 O ATOM 102 CB VAL A 8 -2.973 -9.176 4.441 1.00 0.00 C ATOM 103 CG1 VAL A 8 -1.856 -9.340 3.402 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.830 -10.454 4.475 1.00 0.00 C ATOM 0 H VAL A 8 -2.161 -10.886 6.079 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.677 -8.015 5.736 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.612 -8.341 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.293 -9.580 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.291 -8.411 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.189 -10.146 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.220 -10.657 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.218 -11.294 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.660 -10.317 5.168 1.00 0.00 H new ATOM 114 N LYS A 9 -3.040 -7.914 8.021 1.00 0.00 N ATOM 115 CA LYS A 9 -3.974 -7.642 9.119 1.00 0.00 C ATOM 116 C LYS A 9 -3.876 -6.215 9.674 1.00 0.00 C ATOM 117 O LYS A 9 -3.990 -6.024 10.884 1.00 0.00 O ATOM 118 CB LYS A 9 -3.874 -8.720 10.201 1.00 0.00 C ATOM 119 CG LYS A 9 -2.448 -8.781 10.752 1.00 0.00 C ATOM 120 CD LYS A 9 -1.840 -10.134 10.428 1.00 0.00 C ATOM 121 CE LYS A 9 -0.326 -10.027 10.560 1.00 0.00 C ATOM 122 NZ LYS A 9 0.132 -10.021 11.964 1.00 0.00 N ATOM 0 H LYS A 9 -2.060 -7.785 8.272 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.978 -7.695 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.575 -8.503 11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.154 -9.689 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.844 -7.985 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.456 -8.622 11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.227 -10.895 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.112 -10.439 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.139 -10.862 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.012 -9.114 10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.169 -9.946 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.286 -9.210 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.164 -10.903 12.429 1.00 0.00 H new ATOM 136 N CYS A 10 -3.711 -5.224 8.795 1.00 0.00 N ATOM 137 CA CYS A 10 -3.807 -3.798 9.073 1.00 0.00 C ATOM 138 C CYS A 10 -2.682 -3.292 9.984 1.00 0.00 C ATOM 139 O CYS A 10 -2.666 -3.486 11.200 1.00 0.00 O ATOM 140 CB CYS A 10 -5.252 -3.444 9.450 1.00 0.00 C ATOM 141 SG CYS A 10 -5.374 -1.950 10.478 1.00 0.00 S ATOM 0 H CYS A 10 -3.495 -5.411 7.816 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.610 -3.217 8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.834 -3.300 8.540 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.698 -4.283 9.984 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.505 -1.354 10.245 1.00 0.00 H new ATOM 147 N THR A 11 -1.713 -2.646 9.341 1.00 0.00 N ATOM 148 CA THR A 11 -0.443 -2.250 9.910 1.00 0.00 C ATOM 149 C THR A 11 -0.610 -0.917 10.643 1.00 0.00 C ATOM 150 O THR A 11 -0.619 -0.860 11.877 1.00 0.00 O ATOM 151 CB THR A 11 0.583 -2.205 8.754 1.00 0.00 C ATOM 152 OG1 THR A 11 0.172 -1.338 7.706 1.00 0.00 O ATOM 153 CG2 THR A 11 0.681 -3.580 8.097 1.00 0.00 C ATOM 0 H THR A 11 -1.804 -2.375 8.362 1.00 0.00 H new ATOM 0 HA THR A 11 -0.079 -2.956 10.656 1.00 0.00 H new ATOM 0 HB THR A 11 1.520 -1.868 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.849 -1.338 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.405 -3.544 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.002 -4.314 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.294 -3.865 7.703 1.00 0.00 H new ATOM 161 N SER A 12 -0.811 0.148 9.875 1.00 0.00 N ATOM 162 CA SER A 12 -0.724 1.543 10.256 1.00 0.00 C ATOM 163 C SER A 12 -1.877 2.255 9.575 1.00 0.00 C ATOM 164 O SER A 12 -2.089 2.094 8.370 1.00 0.00 O ATOM 165 CB SER A 12 0.633 2.085 9.815 1.00 0.00 C ATOM 166 OG SER A 12 1.628 1.334 10.496 1.00 0.00 O ATOM 0 H SER A 12 -1.059 0.044 8.891 1.00 0.00 H new ATOM 0 HA SER A 12 -0.798 1.692 11.333 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.752 1.991 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.720 3.145 10.054 1.00 0.00 H new ATOM 0 HG SER A 12 2.516 1.655 10.235 1.00 0.00 H new ATOM 172 N VAL A 13 -2.662 3.010 10.340 1.00 0.00 N ATOM 173 CA VAL A 13 -3.891 3.614 9.839 1.00 0.00 C ATOM 174 C VAL A 13 -3.636 4.548 8.658 1.00 0.00 C ATOM 175 O VAL A 13 -4.547 4.755 7.865 1.00 0.00 O ATOM 176 CB VAL A 13 -4.653 4.334 10.960 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.058 3.341 12.058 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.852 5.493 11.569 1.00 0.00 C ATOM 0 H VAL A 13 -2.465 3.219 11.319 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.517 2.801 9.472 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.547 4.762 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.597 3.869 12.845 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.700 2.570 11.632 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.165 2.878 12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.438 5.966 12.356 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.922 5.111 11.989 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.626 6.226 10.794 1.00 0.00 H new ATOM 188 N VAL A 14 -2.404 5.037 8.511 1.00 0.00 N ATOM 189 CA VAL A 14 -1.928 5.903 7.448 1.00 0.00 C ATOM 190 C VAL A 14 -2.359 5.397 6.074 1.00 0.00 C ATOM 191 O VAL A 14 -2.700 6.204 5.216 1.00 0.00 O ATOM 192 CB VAL A 14 -0.382 5.960 7.519 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.172 7.073 6.635 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.186 6.167 8.926 1.00 0.00 C ATOM 0 H VAL A 14 -1.667 4.819 9.181 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.360 6.895 7.584 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.068 4.976 7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.260 7.087 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.121 6.896 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.226 8.032 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.275 6.194 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.183 7.109 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.129 5.346 9.570 1.00 0.00 H new ATOM 204 N LEU A 15 -2.353 4.076 5.852 1.00 0.00 N ATOM 205 CA LEU A 15 -2.841 3.506 4.605 1.00 0.00 C ATOM 206 C LEU A 15 -4.324 3.216 4.705 1.00 0.00 C ATOM 207 O LEU A 15 -5.077 3.622 3.824 1.00 0.00 O ATOM 208 CB LEU A 15 -2.071 2.266 4.114 1.00 0.00 C ATOM 209 CG LEU A 15 -1.461 1.319 5.159 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.304 -0.069 4.537 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.082 1.824 5.599 1.00 0.00 C ATOM 0 H LEU A 15 -2.014 3.388 6.524 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.660 4.267 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.748 1.681 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.263 2.612 3.469 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.118 1.278 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.872 -0.750 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.280 -0.442 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.648 -0.007 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.336 1.142 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.581 1.872 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.181 2.818 6.036 1.00 0.00 H new ATOM 223 N LEU A 16 -4.762 2.521 5.758 1.00 0.00 N ATOM 224 CA LEU A 16 -6.145 2.043 5.846 1.00 0.00 C ATOM 225 C LEU A 16 -7.135 3.189 5.678 1.00 0.00 C ATOM 226 O LEU A 16 -8.127 3.073 4.959 1.00 0.00 O ATOM 227 CB LEU A 16 -6.407 1.365 7.200 1.00 0.00 C ATOM 228 CG LEU A 16 -5.911 -0.082 7.376 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.560 -0.983 6.328 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.386 -0.226 7.345 1.00 0.00 C ATOM 0 H LEU A 16 -4.181 2.277 6.560 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.285 1.322 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.947 1.976 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.482 1.377 7.380 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.213 -0.393 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.205 -2.006 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.643 -0.957 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.295 -0.631 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.117 -1.274 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.006 0.130 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.948 0.364 8.150 1.00 0.00 H new ATOM 242 N SER A 17 -6.863 4.303 6.337 1.00 0.00 N ATOM 243 CA SER A 17 -7.727 5.461 6.366 1.00 0.00 C ATOM 244 C SER A 17 -7.932 6.065 4.985 1.00 0.00 C ATOM 245 O SER A 17 -9.039 6.530 4.720 1.00 0.00 O ATOM 246 CB SER A 17 -7.129 6.474 7.357 1.00 0.00 C ATOM 247 OG SER A 17 -8.125 7.314 7.902 1.00 0.00 O ATOM 0 H SER A 17 -6.009 4.425 6.881 1.00 0.00 H new ATOM 0 HA SER A 17 -8.722 5.164 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.621 5.942 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.378 7.080 6.851 1.00 0.00 H new ATOM 0 HG SER A 17 -7.714 7.945 8.529 1.00 0.00 H new ATOM 253 N VAL A 18 -6.955 5.987 4.079 1.00 0.00 N ATOM 254 CA VAL A 18 -7.110 6.433 2.695 1.00 0.00 C ATOM 255 C VAL A 18 -8.244 5.663 2.033 1.00 0.00 C ATOM 256 O VAL A 18 -8.994 6.235 1.243 1.00 0.00 O ATOM 257 CB VAL A 18 -5.796 6.209 1.913 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.802 6.859 0.527 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.592 6.749 2.673 1.00 0.00 C ATOM 0 H VAL A 18 -6.030 5.611 4.287 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.345 7.497 2.689 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.722 5.128 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.852 6.665 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.614 6.441 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.944 7.935 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.686 6.573 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.716 7.819 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.511 6.241 3.634 1.00 0.00 H new ATOM 269 N LEU A 19 -8.372 4.368 2.343 1.00 0.00 N ATOM 270 CA LEU A 19 -9.404 3.534 1.757 1.00 0.00 C ATOM 271 C LEU A 19 -10.746 3.822 2.417 1.00 0.00 C ATOM 272 O LEU A 19 -11.729 4.092 1.722 1.00 0.00 O ATOM 273 CB LEU A 19 -9.006 2.049 1.839 1.00 0.00 C ATOM 274 CG LEU A 19 -7.832 1.584 0.955 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.673 2.339 -0.369 1.00 0.00 C ATOM 276 CD2 LEU A 19 -6.512 1.642 1.702 1.00 0.00 C ATOM 0 H LEU A 19 -7.765 3.881 3.002 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.510 3.772 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.758 1.823 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.880 1.450 1.582 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.094 0.556 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.820 1.937 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.577 2.220 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.508 3.397 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.708 1.307 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.318 2.667 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.560 0.994 2.577 1.00 0.00 H new ATOM 288 N GLN A 20 -10.766 3.770 3.748 1.00 0.00 N ATOM 289 CA GLN A 20 -11.963 3.864 4.577 1.00 0.00 C ATOM 290 C GLN A 20 -12.556 5.279 4.588 1.00 0.00 C ATOM 291 O GLN A 20 -13.726 5.425 4.934 1.00 0.00 O ATOM 292 CB GLN A 20 -11.608 3.409 6.014 1.00 0.00 C ATOM 293 CG GLN A 20 -11.059 1.972 6.077 1.00 0.00 C ATOM 294 CD GLN A 20 -10.830 1.405 7.483 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.371 0.362 7.852 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.986 2.012 8.297 1.00 0.00 N ATOM 0 H GLN A 20 -9.915 3.657 4.298 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.728 3.213 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.869 4.092 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.497 3.479 6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.751 1.316 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.114 1.940 5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.530 2.877 8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.790 1.616 9.216 1.00 0.00 H new ATOM 305 N GLN A 21 -11.798 6.298 4.161 1.00 0.00 N ATOM 306 CA GLN A 21 -12.257 7.659 3.924 1.00 0.00 C ATOM 307 C GLN A 21 -13.365 7.682 2.872 1.00 0.00 C ATOM 308 O GLN A 21 -14.122 8.653 2.811 1.00 0.00 O ATOM 309 CB GLN A 21 -11.012 8.482 3.518 1.00 0.00 C ATOM 310 CG GLN A 21 -11.267 9.884 2.950 1.00 0.00 C ATOM 311 CD GLN A 21 -9.978 10.528 2.434 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.908 10.939 1.278 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.946 10.654 3.261 1.00 0.00 N ATOM 0 H GLN A 21 -10.804 6.183 3.965 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.704 8.098 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.370 8.581 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.454 7.911 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.993 9.822 2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.706 10.516 3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.015 10.309 4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.085 11.095 2.938 1.00 0.00 H new ATOM 322 N LEU A 22 -13.419 6.663 2.003 1.00 0.00 N ATOM 323 CA LEU A 22 -14.135 6.755 0.743 1.00 0.00 C ATOM 324 C LEU A 22 -15.258 5.747 0.715 1.00 0.00 C ATOM 325 O LEU A 22 -16.356 6.123 1.117 1.00 0.00 O ATOM 326 CB LEU A 22 -13.146 6.674 -0.439 1.00 0.00 C ATOM 327 CG LEU A 22 -12.138 7.835 -0.315 1.00 0.00 C ATOM 328 CD1 LEU A 22 -10.846 7.620 -1.046 1.00 0.00 C ATOM 329 CD2 LEU A 22 -12.724 9.192 -0.659 1.00 0.00 C ATOM 0 H LEU A 22 -12.968 5.762 2.161 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.618 7.727 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.624 5.717 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.682 6.737 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.899 7.837 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.199 8.486 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.352 6.730 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.047 7.488 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.957 9.958 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.083 9.183 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.554 9.411 0.013 1.00 0.00 H new ATOM 341 N ARG A 23 -15.001 4.508 0.287 1.00 0.00 N ATOM 342 CA ARG A 23 -15.992 3.438 0.147 1.00 0.00 C ATOM 343 C ARG A 23 -15.376 2.147 -0.367 1.00 0.00 C ATOM 344 O ARG A 23 -15.995 1.387 -1.119 1.00 0.00 O ATOM 345 CB ARG A 23 -17.223 3.843 -0.702 1.00 0.00 C ATOM 346 CG ARG A 23 -17.091 3.978 -2.224 1.00 0.00 C ATOM 347 CD ARG A 23 -16.197 5.146 -2.630 1.00 0.00 C ATOM 348 NE ARG A 23 -16.942 6.181 -3.368 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.955 6.338 -4.699 1.00 0.00 C ATOM 350 NH1 ARG A 23 -16.286 5.511 -5.490 1.00 0.00 N ATOM 351 NH2 ARG A 23 -17.615 7.351 -5.243 1.00 0.00 N ATOM 0 H ARG A 23 -14.063 4.212 0.019 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.359 3.256 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.007 3.111 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.580 4.800 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.684 3.053 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.080 4.113 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.750 5.587 -1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.378 4.778 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.497 6.836 -2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.751 4.741 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.306 5.644 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.114 8.013 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.624 7.469 -6.256 1.00 0.00 H new ATOM 365 N VAL A 24 -14.124 1.930 0.007 1.00 0.00 N ATOM 366 CA VAL A 24 -13.477 0.645 -0.175 1.00 0.00 C ATOM 367 C VAL A 24 -14.398 -0.508 0.232 1.00 0.00 C ATOM 368 O VAL A 24 -15.276 -0.388 1.088 1.00 0.00 O ATOM 369 CB VAL A 24 -12.203 0.647 0.680 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.580 0.918 2.142 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.395 -0.661 0.606 1.00 0.00 C ATOM 0 H VAL A 24 -13.533 2.638 0.443 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.236 0.496 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.562 1.431 0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.679 0.921 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.073 1.887 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.256 0.139 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.511 -0.579 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.012 -1.490 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.089 -0.842 -0.424 1.00 0.00 H new ATOM 381 N GLU A 25 -14.125 -1.653 -0.358 1.00 0.00 N ATOM 382 CA GLU A 25 -14.760 -2.908 -0.079 1.00 0.00 C ATOM 383 C GLU A 25 -13.722 -3.699 0.695 1.00 0.00 C ATOM 384 O GLU A 25 -12.750 -4.170 0.104 1.00 0.00 O ATOM 385 CB GLU A 25 -15.144 -3.576 -1.406 1.00 0.00 C ATOM 386 CG GLU A 25 -16.071 -2.662 -2.222 1.00 0.00 C ATOM 387 CD GLU A 25 -16.409 -3.204 -3.621 1.00 0.00 C ATOM 388 OE1 GLU A 25 -16.400 -4.441 -3.860 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.459 -2.346 -4.538 1.00 0.00 O ATOM 0 H GLU A 25 -13.413 -1.729 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.681 -2.822 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.245 -3.798 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.641 -4.526 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.998 -2.513 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.601 -1.684 -2.326 1.00 0.00 H new ATOM 396 N SER A 26 -13.920 -3.803 2.008 1.00 0.00 N ATOM 397 CA SER A 26 -13.268 -4.793 2.860 1.00 0.00 C ATOM 398 C SER A 26 -13.339 -6.165 2.177 1.00 0.00 C ATOM 399 O SER A 26 -12.325 -6.817 1.945 1.00 0.00 O ATOM 400 CB SER A 26 -13.950 -4.789 4.241 1.00 0.00 C ATOM 401 OG SER A 26 -15.332 -4.435 4.157 1.00 0.00 O ATOM 0 H SER A 26 -14.552 -3.187 2.519 1.00 0.00 H new ATOM 0 HA SER A 26 -12.215 -4.553 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.856 -5.776 4.694 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.436 -4.087 4.897 1.00 0.00 H new ATOM 0 HG SER A 26 -15.728 -4.446 5.054 1.00 0.00 H new ATOM 407 N SER A 27 -14.551 -6.532 1.762 1.00 0.00 N ATOM 408 CA SER A 27 -14.898 -7.678 0.939 1.00 0.00 C ATOM 409 C SER A 27 -14.430 -7.504 -0.524 1.00 0.00 C ATOM 410 O SER A 27 -15.235 -7.490 -1.466 1.00 0.00 O ATOM 411 CB SER A 27 -16.416 -7.863 1.095 1.00 0.00 C ATOM 412 OG SER A 27 -16.718 -9.081 1.728 1.00 0.00 O ATOM 0 H SER A 27 -15.377 -5.989 2.015 1.00 0.00 H new ATOM 0 HA SER A 27 -14.382 -8.582 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.828 -7.037 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.891 -7.832 0.115 1.00 0.00 H new ATOM 0 HG SER A 27 -17.690 -9.172 1.816 1.00 0.00 H new ATOM 418 N SER A 28 -13.126 -7.353 -0.749 1.00 0.00 N ATOM 419 CA SER A 28 -12.517 -7.354 -2.071 1.00 0.00 C ATOM 420 C SER A 28 -11.024 -7.627 -1.932 1.00 0.00 C ATOM 421 O SER A 28 -10.448 -7.481 -0.850 1.00 0.00 O ATOM 422 CB SER A 28 -12.772 -5.988 -2.725 1.00 0.00 C ATOM 423 OG SER A 28 -12.233 -5.894 -4.030 1.00 0.00 O ATOM 0 H SER A 28 -12.450 -7.224 0.004 1.00 0.00 H new ATOM 0 HA SER A 28 -12.950 -8.133 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.846 -5.805 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.340 -5.206 -2.101 1.00 0.00 H new ATOM 0 HG SER A 28 -12.425 -5.007 -4.400 1.00 0.00 H new ATOM 429 N LYS A 29 -10.352 -7.924 -3.052 1.00 0.00 N ATOM 430 CA LYS A 29 -8.895 -7.818 -3.096 1.00 0.00 C ATOM 431 C LYS A 29 -8.451 -6.384 -2.860 1.00 0.00 C ATOM 432 O LYS A 29 -7.323 -6.163 -2.443 1.00 0.00 O ATOM 433 CB LYS A 29 -8.284 -8.414 -4.373 1.00 0.00 C ATOM 434 CG LYS A 29 -7.981 -7.436 -5.513 1.00 0.00 C ATOM 435 CD LYS A 29 -9.206 -6.913 -6.255 1.00 0.00 C ATOM 436 CE LYS A 29 -8.772 -5.550 -6.774 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.453 -5.176 -8.025 1.00 0.00 N ATOM 0 H LYS A 29 -10.787 -8.233 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.507 -8.428 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.357 -8.919 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.964 -9.177 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.431 -6.587 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.324 -7.929 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.492 -7.577 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.068 -6.831 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.975 -4.795 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.695 -5.555 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.121 -4.240 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.239 -5.880 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.480 -5.144 -7.865 1.00 0.00 H new ATOM 451 N LEU A 30 -9.298 -5.406 -3.181 1.00 0.00 N ATOM 452 CA LEU A 30 -8.920 -3.999 -3.159 1.00 0.00 C ATOM 453 C LEU A 30 -8.410 -3.601 -1.782 1.00 0.00 C ATOM 454 O LEU A 30 -7.277 -3.139 -1.686 1.00 0.00 O ATOM 455 CB LEU A 30 -10.083 -3.111 -3.629 1.00 0.00 C ATOM 456 CG LEU A 30 -9.694 -1.676 -4.015 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.185 -0.818 -2.852 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.682 -1.662 -5.158 1.00 0.00 C ATOM 0 H LEU A 30 -10.264 -5.570 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.101 -3.847 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.558 -3.586 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.830 -3.067 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.626 -1.217 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.934 0.178 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.961 -0.741 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.297 -1.280 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.428 -0.632 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.781 -2.194 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.113 -2.150 -6.032 1.00 0.00 H new ATOM 470 N TRP A 31 -9.186 -3.816 -0.720 1.00 0.00 N ATOM 471 CA TRP A 31 -8.740 -3.517 0.634 1.00 0.00 C ATOM 472 C TRP A 31 -7.359 -4.116 0.925 1.00 0.00 C ATOM 473 O TRP A 31 -6.520 -3.483 1.565 1.00 0.00 O ATOM 474 CB TRP A 31 -9.793 -4.051 1.602 1.00 0.00 C ATOM 475 CG TRP A 31 -9.411 -3.991 3.041 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.370 -2.872 3.788 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.995 -5.074 3.915 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.985 -3.184 5.077 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.726 -4.532 5.206 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.824 -6.460 3.741 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.335 -5.338 6.285 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.407 -7.274 4.807 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.181 -6.723 6.078 1.00 0.00 C ATOM 0 H TRP A 31 -10.130 -4.198 -0.775 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.632 -2.439 0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.714 -3.485 1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.012 -5.087 1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.603 -1.879 3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.903 -2.506 5.835 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.016 -6.904 2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.155 -4.905 7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.259 -8.332 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.889 -7.362 6.898 1.00 0.00 H new ATOM 494 N ALA A 32 -7.099 -5.306 0.396 1.00 0.00 N ATOM 495 CA ALA A 32 -5.859 -6.015 0.625 1.00 0.00 C ATOM 496 C ALA A 32 -4.718 -5.464 -0.225 1.00 0.00 C ATOM 497 O ALA A 32 -3.583 -5.483 0.239 1.00 0.00 O ATOM 498 CB ALA A 32 -6.042 -7.486 0.316 1.00 0.00 C ATOM 0 H ALA A 32 -7.752 -5.805 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.596 -5.878 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.104 -8.014 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.817 -7.900 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.337 -7.605 -0.727 1.00 0.00 H new ATOM 504 N GLN A 33 -4.983 -4.961 -1.440 1.00 0.00 N ATOM 505 CA GLN A 33 -3.972 -4.417 -2.348 1.00 0.00 C ATOM 506 C GLN A 33 -3.090 -3.415 -1.626 1.00 0.00 C ATOM 507 O GLN A 33 -1.901 -3.344 -1.911 1.00 0.00 O ATOM 508 CB GLN A 33 -4.596 -3.681 -3.539 1.00 0.00 C ATOM 509 CG GLN A 33 -5.104 -4.599 -4.644 1.00 0.00 C ATOM 510 CD GLN A 33 -4.003 -4.994 -5.620 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.360 -6.030 -5.477 1.00 0.00 O ATOM 512 NE2 GLN A 33 -3.782 -4.208 -6.654 1.00 0.00 N ATOM 0 H GLN A 33 -5.927 -4.922 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.397 -5.272 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.424 -3.070 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.856 -3.000 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.531 -5.498 -4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.906 -4.100 -5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.320 -3.349 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.073 -4.459 -7.343 1.00 0.00 H new ATOM 521 N CYS A 34 -3.673 -2.632 -0.719 1.00 0.00 N ATOM 522 CA CYS A 34 -2.887 -1.637 -0.001 1.00 0.00 C ATOM 523 C CYS A 34 -2.070 -2.322 1.093 1.00 0.00 C ATOM 524 O CYS A 34 -0.850 -2.192 1.134 1.00 0.00 O ATOM 525 CB CYS A 34 -3.777 -0.500 0.514 1.00 0.00 C ATOM 526 SG CYS A 34 -2.876 1.071 0.380 1.00 0.00 S ATOM 0 H CYS A 34 -4.662 -2.666 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.177 -1.164 -0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.700 -0.454 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.059 -0.684 1.551 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.627 2.040 0.813 1.00 0.00 H new ATOM 532 N VAL A 35 -2.732 -3.097 1.950 1.00 0.00 N ATOM 533 CA VAL A 35 -2.152 -3.660 3.171 1.00 0.00 C ATOM 534 C VAL A 35 -1.252 -4.849 2.958 1.00 0.00 C ATOM 535 O VAL A 35 -0.647 -5.353 3.906 1.00 0.00 O ATOM 536 CB VAL A 35 -3.274 -4.094 4.090 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.876 -5.487 3.900 1.00 0.00 C ATOM 538 CG2 VAL A 35 -2.804 -3.940 5.542 1.00 0.00 C ATOM 0 H VAL A 35 -3.709 -3.358 1.813 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.534 -2.868 3.593 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.098 -3.434 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.666 -5.645 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.292 -5.570 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.100 -6.240 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.602 -4.249 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.926 -4.564 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.550 -2.897 5.734 1.00 0.00 H new ATOM 548 N GLN A 36 -1.155 -5.295 1.727 1.00 0.00 N ATOM 549 CA GLN A 36 -0.153 -6.243 1.356 1.00 0.00 C ATOM 550 C GLN A 36 1.010 -5.490 0.704 1.00 0.00 C ATOM 551 O GLN A 36 2.164 -5.874 0.869 1.00 0.00 O ATOM 552 CB GLN A 36 -0.874 -7.317 0.539 1.00 0.00 C ATOM 553 CG GLN A 36 -1.184 -6.932 -0.911 1.00 0.00 C ATOM 554 CD GLN A 36 -0.095 -7.450 -1.849 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.888 -6.638 -2.187 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.125 -8.609 -2.256 1.00 0.00 N flip ATOM 0 H GLN A 36 -1.769 -5.007 0.965 1.00 0.00 H new ATOM 0 HA GLN A 36 0.331 -6.774 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.264 -8.220 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.809 -7.566 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.150 -7.344 -1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.260 -5.848 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.892 -9.225 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.617 -8.955 -2.864 1.00 0.00 H new ATOM 565 N LEU A 37 0.721 -4.381 0.004 1.00 0.00 N ATOM 566 CA LEU A 37 1.722 -3.770 -0.881 1.00 0.00 C ATOM 567 C LEU A 37 2.599 -2.760 -0.158 1.00 0.00 C ATOM 568 O LEU A 37 3.759 -2.631 -0.528 1.00 0.00 O ATOM 569 CB LEU A 37 1.103 -3.174 -2.157 1.00 0.00 C ATOM 570 CG LEU A 37 2.143 -2.888 -3.267 1.00 0.00 C ATOM 571 CD1 LEU A 37 1.557 -3.190 -4.655 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.647 -1.441 -3.298 1.00 0.00 C ATOM 0 H LEU A 37 -0.177 -3.899 0.032 1.00 0.00 H new ATOM 0 HA LEU A 37 2.372 -4.585 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.350 -3.862 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.588 -2.247 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 37 2.983 -3.540 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.306 -2.982 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.268 -4.240 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.681 -2.563 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.372 -1.325 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.807 -0.767 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.121 -1.200 -2.346 1.00 0.00 H new ATOM 584 N HIS A 38 2.091 -2.087 0.875 1.00 0.00 N ATOM 585 CA HIS A 38 2.907 -1.229 1.722 1.00 0.00 C ATOM 586 C HIS A 38 4.105 -1.990 2.274 1.00 0.00 C ATOM 587 O HIS A 38 5.233 -1.532 2.155 1.00 0.00 O ATOM 588 CB HIS A 38 2.032 -0.555 2.792 1.00 0.00 C ATOM 589 CG HIS A 38 2.752 -0.160 4.054 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.141 1.102 4.402 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 3.124 -1.016 5.074 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 3.799 1.010 5.627 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.768 -0.280 5.996 1.00 0.00 N flip ATOM 0 H HIS A 38 1.108 -2.123 1.144 1.00 0.00 H new ATOM 0 HA HIS A 38 3.333 -0.420 1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.577 0.336 2.358 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.219 -1.233 3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.933 -2.078 5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.249 1.824 6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.176 -0.650 6.855 1.00 0.00 H new ATOM 601 N ASN A 39 3.873 -3.179 2.818 1.00 0.00 N ATOM 602 CA ASN A 39 4.921 -4.030 3.361 1.00 0.00 C ATOM 603 C ASN A 39 5.884 -4.411 2.264 1.00 0.00 C ATOM 604 O ASN A 39 7.093 -4.488 2.478 1.00 0.00 O ATOM 605 CB ASN A 39 4.416 -5.358 3.933 1.00 0.00 C ATOM 606 CG ASN A 39 3.216 -5.217 4.830 1.00 0.00 C ATOM 607 OD1 ASN A 39 3.177 -4.365 5.708 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.170 -5.971 4.554 1.00 0.00 N ATOM 0 H ASN A 39 2.939 -3.583 2.895 1.00 0.00 H new ATOM 0 HA ASN A 39 5.373 -3.442 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.165 -6.026 3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.222 -5.832 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.303 -5.851 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.228 -6.674 3.817 1.00 0.00 H new ATOM 615 N ASP A 40 5.325 -4.681 1.085 1.00 0.00 N ATOM 616 CA ASP A 40 6.073 -5.197 -0.037 1.00 0.00 C ATOM 617 C ASP A 40 7.089 -4.158 -0.556 1.00 0.00 C ATOM 618 O ASP A 40 7.849 -4.482 -1.466 1.00 0.00 O ATOM 619 CB ASP A 40 5.166 -5.692 -1.188 1.00 0.00 C ATOM 620 CG ASP A 40 4.506 -7.056 -0.967 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.999 -7.850 -0.133 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.511 -7.385 -1.657 1.00 0.00 O ATOM 0 H ASP A 40 4.333 -4.543 0.891 1.00 0.00 H new ATOM 0 HA ASP A 40 6.618 -6.065 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.383 -4.952 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.760 -5.739 -2.101 1.00 0.00 H new ATOM 627 N ILE A 41 7.122 -2.922 -0.020 1.00 0.00 N ATOM 628 CA ILE A 41 8.102 -1.903 -0.402 1.00 0.00 C ATOM 629 C ILE A 41 9.394 -2.262 0.324 1.00 0.00 C ATOM 630 O ILE A 41 10.469 -2.308 -0.256 1.00 0.00 O ATOM 631 CB ILE A 41 7.593 -0.490 -0.003 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.198 -0.169 -0.583 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.559 0.643 -0.392 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.069 -0.294 -2.093 1.00 0.00 C ATOM 0 H ILE A 41 6.464 -2.608 0.693 1.00 0.00 H new ATOM 0 HA ILE A 41 8.264 -1.879 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 41 7.529 -0.533 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.469 -0.833 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.931 0.848 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.140 1.601 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.518 0.490 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.705 0.642 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.051 -0.047 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.766 0.391 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.298 -1.316 -2.394 1.00 0.00 H new ATOM 646 N LEU A 42 9.274 -2.554 1.614 1.00 0.00 N ATOM 647 CA LEU A 42 10.355 -2.917 2.499 1.00 0.00 C ATOM 648 C LEU A 42 10.836 -4.344 2.188 1.00 0.00 C ATOM 649 O LEU A 42 12.002 -4.677 2.431 1.00 0.00 O ATOM 650 CB LEU A 42 9.812 -2.879 3.930 1.00 0.00 C ATOM 651 CG LEU A 42 9.082 -1.596 4.379 1.00 0.00 C ATOM 652 CD1 LEU A 42 9.757 -0.307 3.924 1.00 0.00 C ATOM 653 CD2 LEU A 42 7.592 -1.545 4.095 1.00 0.00 C ATOM 0 H LEU A 42 8.370 -2.541 2.087 1.00 0.00 H new ATOM 0 HA LEU A 42 11.190 -2.228 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.126 -3.717 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.646 -3.048 4.611 1.00 0.00 H new ATOM 0 HG LEU A 42 9.174 -1.662 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.183 0.549 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.767 -0.262 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.804 -0.286 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.185 -0.599 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.423 -1.629 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.096 -2.370 4.606 1.00 0.00 H new ATOM 665 N LEU A 43 9.933 -5.200 1.682 1.00 0.00 N ATOM 666 CA LEU A 43 10.196 -6.589 1.297 1.00 0.00 C ATOM 667 C LEU A 43 10.464 -6.687 -0.212 1.00 0.00 C ATOM 668 O LEU A 43 10.364 -7.773 -0.791 1.00 0.00 O ATOM 669 CB LEU A 43 9.041 -7.545 1.679 1.00 0.00 C ATOM 670 CG LEU A 43 8.511 -7.611 3.131 1.00 0.00 C ATOM 671 CD1 LEU A 43 8.236 -9.073 3.498 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.427 -7.038 4.214 1.00 0.00 C ATOM 0 H LEU A 43 8.962 -4.929 1.525 1.00 0.00 H new ATOM 0 HA LEU A 43 11.080 -6.902 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.194 -7.294 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.357 -8.552 1.408 1.00 0.00 H new ATOM 0 HG LEU A 43 7.620 -6.983 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.862 -9.127 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.491 -9.485 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.159 -9.648 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.948 -7.141 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.372 -7.581 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.614 -5.983 4.012 1.00 0.00 H new ATOM 684 N ALA A 44 10.747 -5.564 -0.874 1.00 0.00 N ATOM 685 CA ALA A 44 11.196 -5.575 -2.254 1.00 0.00 C ATOM 686 C ALA A 44 12.628 -6.115 -2.334 1.00 0.00 C ATOM 687 O ALA A 44 13.231 -6.526 -1.338 1.00 0.00 O ATOM 688 CB ALA A 44 11.082 -4.174 -2.854 1.00 0.00 C ATOM 0 H ALA A 44 10.670 -4.632 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 44 10.559 -6.237 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.421 -4.193 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.043 -3.846 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.700 -3.482 -2.282 1.00 0.00 H new ATOM 694 N LYS A 45 13.176 -6.144 -3.548 1.00 0.00 N ATOM 695 CA LYS A 45 14.578 -6.468 -3.764 1.00 0.00 C ATOM 696 C LYS A 45 15.469 -5.288 -3.398 1.00 0.00 C ATOM 697 O LYS A 45 16.420 -5.446 -2.630 1.00 0.00 O ATOM 698 CB LYS A 45 14.789 -6.879 -5.231 1.00 0.00 C ATOM 699 CG LYS A 45 14.212 -8.267 -5.545 1.00 0.00 C ATOM 700 CD LYS A 45 14.993 -9.450 -4.944 1.00 0.00 C ATOM 701 CE LYS A 45 16.141 -9.965 -5.829 1.00 0.00 C ATOM 702 NZ LYS A 45 17.231 -8.988 -6.044 1.00 0.00 N ATOM 0 H LYS A 45 12.659 -5.944 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 45 14.854 -7.302 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.322 -6.140 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.856 -6.874 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.185 -8.307 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.172 -8.390 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.401 -9.148 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.300 -10.270 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.559 -10.863 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.735 -10.257 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.120 -9.495 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.001 -8.386 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.339 -8.396 -5.196 1.00 0.00 H new ATOM 716 N ASP A 46 15.238 -4.141 -4.033 1.00 0.00 N ATOM 717 CA ASP A 46 16.208 -3.052 -4.096 1.00 0.00 C ATOM 718 C ASP A 46 15.491 -1.733 -3.889 1.00 0.00 C ATOM 719 O ASP A 46 14.265 -1.673 -3.860 1.00 0.00 O ATOM 720 CB ASP A 46 16.941 -3.001 -5.448 1.00 0.00 C ATOM 721 CG ASP A 46 17.450 -4.358 -5.930 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.254 -4.993 -5.209 1.00 0.00 O ATOM 723 OD2 ASP A 46 16.987 -4.811 -6.999 1.00 0.00 O ATOM 0 H ASP A 46 14.365 -3.940 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 46 16.947 -3.228 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.267 -2.589 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.785 -2.316 -5.367 1.00 0.00 H new ATOM 728 N THR A 47 16.255 -0.652 -3.783 1.00 0.00 N ATOM 729 CA THR A 47 15.752 0.681 -3.533 1.00 0.00 C ATOM 730 C THR A 47 14.739 1.066 -4.607 1.00 0.00 C ATOM 731 O THR A 47 13.619 1.472 -4.279 1.00 0.00 O ATOM 732 CB THR A 47 16.961 1.623 -3.523 1.00 0.00 C ATOM 733 OG1 THR A 47 17.747 1.424 -2.362 1.00 0.00 O ATOM 734 CG2 THR A 47 16.581 3.093 -3.603 1.00 0.00 C ATOM 0 H THR A 47 17.270 -0.687 -3.872 1.00 0.00 H new ATOM 0 HA THR A 47 15.233 0.741 -2.577 1.00 0.00 H new ATOM 0 HB THR A 47 17.530 1.374 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.514 2.034 -2.377 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.484 3.703 -3.591 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.031 3.277 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.956 3.354 -2.749 1.00 0.00 H new ATOM 742 N THR A 48 15.177 1.014 -5.865 1.00 0.00 N ATOM 743 CA THR A 48 14.390 1.432 -7.003 1.00 0.00 C ATOM 744 C THR A 48 13.134 0.566 -7.041 1.00 0.00 C ATOM 745 O THR A 48 12.010 1.058 -6.953 1.00 0.00 O ATOM 746 CB THR A 48 15.282 1.412 -8.268 1.00 0.00 C ATOM 747 OG1 THR A 48 14.556 1.758 -9.426 1.00 0.00 O ATOM 748 CG2 THR A 48 16.049 0.110 -8.545 1.00 0.00 C ATOM 0 H THR A 48 16.105 0.673 -6.116 1.00 0.00 H new ATOM 0 HA THR A 48 14.038 2.461 -6.938 1.00 0.00 H new ATOM 0 HB THR A 48 16.036 2.163 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.151 1.736 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.637 0.221 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.714 -0.106 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.342 -0.710 -8.667 1.00 0.00 H new ATOM 756 N GLU A 49 13.345 -0.746 -7.046 1.00 0.00 N ATOM 757 CA GLU A 49 12.314 -1.746 -7.226 1.00 0.00 C ATOM 758 C GLU A 49 11.297 -1.716 -6.076 1.00 0.00 C ATOM 759 O GLU A 49 10.183 -2.211 -6.249 1.00 0.00 O ATOM 760 CB GLU A 49 13.050 -3.093 -7.368 1.00 0.00 C ATOM 761 CG GLU A 49 12.178 -4.300 -7.722 1.00 0.00 C ATOM 762 CD GLU A 49 11.340 -4.112 -8.994 1.00 0.00 C ATOM 763 OE1 GLU A 49 11.837 -3.570 -10.002 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.174 -4.576 -9.016 1.00 0.00 O ATOM 0 H GLU A 49 14.273 -1.150 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 49 11.713 -1.560 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.817 -2.986 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.564 -3.304 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.818 -5.174 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.510 -4.510 -6.887 1.00 0.00 H new ATOM 771 N ALA A 50 11.632 -1.107 -4.931 1.00 0.00 N ATOM 772 CA ALA A 50 10.699 -0.921 -3.836 1.00 0.00 C ATOM 773 C ALA A 50 9.612 0.064 -4.239 1.00 0.00 C ATOM 774 O ALA A 50 8.431 -0.271 -4.251 1.00 0.00 O ATOM 775 CB ALA A 50 11.445 -0.440 -2.590 1.00 0.00 C ATOM 0 H ALA A 50 12.563 -0.732 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 50 10.223 -1.873 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.737 -0.303 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.191 -1.181 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.939 0.507 -2.805 1.00 0.00 H new ATOM 781 N PHE A 51 9.986 1.303 -4.544 1.00 0.00 N ATOM 782 CA PHE A 51 8.996 2.331 -4.822 1.00 0.00 C ATOM 783 C PHE A 51 8.343 2.095 -6.188 1.00 0.00 C ATOM 784 O PHE A 51 7.178 2.448 -6.366 1.00 0.00 O ATOM 785 CB PHE A 51 9.599 3.731 -4.648 1.00 0.00 C ATOM 786 CG PHE A 51 10.254 4.305 -5.881 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.580 3.979 -6.217 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.512 5.174 -6.699 1.00 0.00 C ATOM 789 CE1 PHE A 51 12.139 4.498 -7.397 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.079 5.699 -7.868 1.00 0.00 C ATOM 791 CZ PHE A 51 11.390 5.346 -8.228 1.00 0.00 C ATOM 0 H PHE A 51 10.955 1.614 -4.604 1.00 0.00 H new ATOM 0 HA PHE A 51 8.190 2.267 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.811 4.411 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.337 3.694 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.163 3.336 -5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.501 5.438 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.153 4.242 -7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.509 6.373 -8.490 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.821 5.726 -9.142 1.00 0.00 H new ATOM 801 N GLU A 52 9.013 1.395 -7.109 1.00 0.00 N ATOM 802 CA GLU A 52 8.488 1.045 -8.432 1.00 0.00 C ATOM 803 C GLU A 52 7.203 0.207 -8.396 1.00 0.00 C ATOM 804 O GLU A 52 6.507 0.127 -9.416 1.00 0.00 O ATOM 805 CB GLU A 52 9.575 0.355 -9.254 1.00 0.00 C ATOM 806 CG GLU A 52 10.619 1.384 -9.713 1.00 0.00 C ATOM 807 CD GLU A 52 10.571 1.671 -11.211 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.486 2.032 -11.732 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.662 1.618 -11.825 1.00 0.00 O ATOM 0 H GLU A 52 9.959 1.048 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 52 8.201 1.981 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.055 -0.422 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.131 -0.136 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.465 2.315 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.614 1.022 -9.452 1.00 0.00 H new ATOM 816 N LYS A 53 6.826 -0.346 -7.234 1.00 0.00 N ATOM 817 CA LYS A 53 5.509 -0.946 -7.042 1.00 0.00 C ATOM 818 C LYS A 53 4.508 -0.040 -6.316 1.00 0.00 C ATOM 819 O LYS A 53 3.314 -0.199 -6.564 1.00 0.00 O ATOM 820 CB LYS A 53 5.624 -2.333 -6.400 1.00 0.00 C ATOM 821 CG LYS A 53 6.440 -2.393 -5.106 1.00 0.00 C ATOM 822 CD LYS A 53 6.064 -3.586 -4.208 1.00 0.00 C ATOM 823 CE LYS A 53 6.806 -4.889 -4.526 1.00 0.00 C ATOM 824 NZ LYS A 53 6.507 -5.438 -5.862 1.00 0.00 N ATOM 0 H LYS A 53 7.425 -0.387 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 53 5.085 -1.073 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.620 -2.703 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.072 -3.014 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.500 -2.453 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.295 -1.467 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.260 -3.317 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.992 -3.764 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.879 -4.713 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.550 -5.634 -3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.800 -6.435 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.485 -5.370 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.024 -4.896 -6.584 1.00 0.00 H new ATOM 838 N MET A 54 4.911 0.927 -5.477 1.00 0.00 N ATOM 839 CA MET A 54 3.928 1.838 -4.870 1.00 0.00 C ATOM 840 C MET A 54 3.315 2.763 -5.911 1.00 0.00 C ATOM 841 O MET A 54 2.119 3.054 -5.875 1.00 0.00 O ATOM 842 CB MET A 54 4.480 2.664 -3.705 1.00 0.00 C ATOM 843 CG MET A 54 5.360 3.884 -4.009 1.00 0.00 C ATOM 844 SD MET A 54 5.783 4.829 -2.528 1.00 0.00 S ATOM 845 CE MET A 54 6.984 3.674 -1.847 1.00 0.00 C ATOM 0 H MET A 54 5.881 1.096 -5.209 1.00 0.00 H new ATOM 0 HA MET A 54 3.157 1.187 -4.456 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.631 3.010 -3.115 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.057 1.992 -3.070 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.277 3.553 -4.497 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.841 4.534 -4.713 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.273 3.997 -0.847 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.542 2.679 -1.793 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.865 3.645 -2.488 1.00 0.00 H new ATOM 855 N VAL A 55 4.129 3.191 -6.869 1.00 0.00 N ATOM 856 CA VAL A 55 3.703 3.994 -8.002 1.00 0.00 C ATOM 857 C VAL A 55 2.636 3.262 -8.824 1.00 0.00 C ATOM 858 O VAL A 55 1.718 3.863 -9.377 1.00 0.00 O ATOM 859 CB VAL A 55 4.938 4.367 -8.825 1.00 0.00 C ATOM 860 CG1 VAL A 55 5.888 5.248 -7.979 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.682 3.146 -9.361 1.00 0.00 C ATOM 0 H VAL A 55 5.127 2.982 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 55 3.230 4.914 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 55 4.590 4.928 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.765 5.510 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.369 6.158 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.200 4.698 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.548 3.472 -9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.012 2.526 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.017 2.567 -10.002 1.00 0.00 H new ATOM 871 N SER A 56 2.707 1.938 -8.837 1.00 0.00 N ATOM 872 CA SER A 56 1.790 1.035 -9.503 1.00 0.00 C ATOM 873 C SER A 56 0.581 0.686 -8.608 1.00 0.00 C ATOM 874 O SER A 56 -0.237 -0.151 -8.975 1.00 0.00 O ATOM 875 CB SER A 56 2.639 -0.172 -9.899 1.00 0.00 C ATOM 876 OG SER A 56 3.601 0.199 -10.875 1.00 0.00 O ATOM 0 H SER A 56 3.453 1.440 -8.352 1.00 0.00 H new ATOM 0 HA SER A 56 1.331 1.480 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.141 -0.576 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.999 -0.962 -10.292 1.00 0.00 H new ATOM 0 HG SER A 56 4.495 0.191 -10.473 1.00 0.00 H new ATOM 882 N LEU A 57 0.424 1.342 -7.449 1.00 0.00 N ATOM 883 CA LEU A 57 -0.686 1.194 -6.503 1.00 0.00 C ATOM 884 C LEU A 57 -1.514 2.479 -6.456 1.00 0.00 C ATOM 885 O LEU A 57 -2.743 2.427 -6.568 1.00 0.00 O ATOM 886 CB LEU A 57 -0.132 0.736 -5.133 1.00 0.00 C ATOM 887 CG LEU A 57 -0.902 1.182 -3.873 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.825 0.110 -2.786 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.347 2.474 -3.248 1.00 0.00 C ATOM 0 H LEU A 57 1.108 2.028 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.377 0.417 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.089 -0.353 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.893 1.096 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.925 1.351 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.374 0.444 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.263 -0.817 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.217 -0.063 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.933 2.732 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.693 2.321 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.408 3.285 -3.974 1.00 0.00 H new ATOM 901 N LEU A 58 -0.855 3.636 -6.379 1.00 0.00 N ATOM 902 CA LEU A 58 -1.444 4.980 -6.282 1.00 0.00 C ATOM 903 C LEU A 58 -2.237 5.414 -7.530 1.00 0.00 C ATOM 904 O LEU A 58 -2.632 6.568 -7.652 1.00 0.00 O ATOM 905 CB LEU A 58 -0.333 5.991 -5.980 1.00 0.00 C ATOM 906 CG LEU A 58 0.837 6.074 -6.980 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.446 6.499 -8.394 1.00 0.00 C ATOM 908 CD2 LEU A 58 1.928 7.010 -6.454 1.00 0.00 C ATOM 0 H LEU A 58 0.165 3.666 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.173 4.947 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.787 6.980 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.078 5.757 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 58 1.207 5.052 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.335 6.528 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.266 5.784 -8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.010 7.489 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.746 7.056 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.514 8.008 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.303 6.633 -5.502 1.00 0.00 H new ATOM 920 N SER A 59 -2.425 4.518 -8.492 1.00 0.00 N ATOM 921 CA SER A 59 -3.135 4.735 -9.749 1.00 0.00 C ATOM 922 C SER A 59 -4.244 3.691 -9.959 1.00 0.00 C ATOM 923 O SER A 59 -5.036 3.803 -10.898 1.00 0.00 O ATOM 924 CB SER A 59 -2.112 4.717 -10.901 1.00 0.00 C ATOM 925 OG SER A 59 -2.545 5.459 -12.022 1.00 0.00 O ATOM 0 H SER A 59 -2.066 3.567 -8.412 1.00 0.00 H new ATOM 0 HA SER A 59 -3.631 5.705 -9.722 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.164 5.121 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.927 3.686 -11.202 1.00 0.00 H new ATOM 0 HG SER A 59 -1.863 5.419 -12.724 1.00 0.00 H new ATOM 931 N VAL A 60 -4.313 2.669 -9.104 1.00 0.00 N ATOM 932 CA VAL A 60 -5.315 1.614 -9.158 1.00 0.00 C ATOM 933 C VAL A 60 -6.505 2.089 -8.338 1.00 0.00 C ATOM 934 O VAL A 60 -7.622 2.224 -8.834 1.00 0.00 O ATOM 935 CB VAL A 60 -4.737 0.309 -8.566 1.00 0.00 C ATOM 936 CG1 VAL A 60 -5.697 -0.869 -8.778 1.00 0.00 C ATOM 937 CG2 VAL A 60 -3.357 -0.034 -9.129 1.00 0.00 C ATOM 0 H VAL A 60 -3.653 2.553 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.615 1.408 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.620 0.486 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.263 -1.773 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.647 -0.656 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.863 -1.015 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.000 -0.960 -8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.426 -0.160 -10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.660 0.773 -8.901 1.00 0.00 H new ATOM 947 N LEU A 61 -6.247 2.364 -7.057 1.00 0.00 N ATOM 948 CA LEU A 61 -7.281 2.578 -6.067 1.00 0.00 C ATOM 949 C LEU A 61 -7.932 3.912 -6.347 1.00 0.00 C ATOM 950 O LEU A 61 -9.138 4.048 -6.226 1.00 0.00 O ATOM 951 CB LEU A 61 -6.696 2.652 -4.668 1.00 0.00 C ATOM 952 CG LEU A 61 -5.624 1.610 -4.311 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.566 2.360 -3.538 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.226 0.461 -3.524 1.00 0.00 C ATOM 0 H LEU A 61 -5.301 2.443 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.987 1.750 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.265 3.644 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.513 2.558 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.188 1.147 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.769 1.673 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.154 3.154 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.009 2.795 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.447 -0.263 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.665 0.842 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.999 -0.023 -4.121 1.00 0.00 H new ATOM 966 N LEU A 62 -7.120 4.900 -6.727 1.00 0.00 N ATOM 967 CA LEU A 62 -7.560 6.254 -7.000 1.00 0.00 C ATOM 968 C LEU A 62 -8.620 6.243 -8.075 1.00 0.00 C ATOM 969 O LEU A 62 -9.634 6.914 -7.902 1.00 0.00 O ATOM 970 CB LEU A 62 -6.359 7.115 -7.393 1.00 0.00 C ATOM 971 CG LEU A 62 -5.344 7.325 -6.250 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.680 8.694 -6.408 1.00 0.00 C ATOM 973 CD2 LEU A 62 -5.883 7.166 -4.823 1.00 0.00 C ATOM 0 H LEU A 62 -6.116 4.770 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.004 6.688 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.850 6.649 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.716 8.087 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.628 6.510 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.962 8.845 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.164 8.739 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.440 9.474 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.078 7.337 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.680 7.890 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.275 6.158 -4.693 1.00 0.00 H new ATOM 985 N SER A 63 -8.466 5.351 -9.055 1.00 0.00 N ATOM 986 CA SER A 63 -9.412 5.115 -10.134 1.00 0.00 C ATOM 987 C SER A 63 -10.665 4.373 -9.629 1.00 0.00 C ATOM 988 O SER A 63 -11.375 3.732 -10.409 1.00 0.00 O ATOM 989 CB SER A 63 -8.685 4.345 -11.243 1.00 0.00 C ATOM 990 OG SER A 63 -9.299 4.533 -12.506 1.00 0.00 O ATOM 0 H SER A 63 -7.643 4.751 -9.116 1.00 0.00 H new ATOM 0 HA SER A 63 -9.772 6.063 -10.534 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.647 4.673 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.673 3.283 -11.000 1.00 0.00 H new ATOM 0 HG SER A 63 -10.263 4.378 -12.427 1.00 0.00 H new ATOM 996 N MET A 64 -10.940 4.374 -8.326 1.00 0.00 N ATOM 997 CA MET A 64 -12.184 3.917 -7.742 1.00 0.00 C ATOM 998 C MET A 64 -12.642 4.763 -6.540 1.00 0.00 C ATOM 999 O MET A 64 -13.639 4.408 -5.915 1.00 0.00 O ATOM 1000 CB MET A 64 -12.077 2.424 -7.386 1.00 0.00 C ATOM 1001 CG MET A 64 -11.307 2.085 -6.091 1.00 0.00 C ATOM 1002 SD MET A 64 -12.242 0.990 -5.015 1.00 0.00 S ATOM 1003 CE MET A 64 -11.419 1.431 -3.474 1.00 0.00 C ATOM 0 H MET A 64 -10.274 4.707 -7.629 1.00 0.00 H new ATOM 0 HA MET A 64 -12.963 4.047 -8.493 1.00 0.00 H new ATOM 0 HB2 MET A 64 -13.085 2.019 -7.301 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.595 1.908 -8.216 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.357 1.616 -6.347 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.074 3.006 -5.556 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.503 0.605 -2.768 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.367 1.636 -3.669 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.889 2.319 -3.051 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.918 5.816 -6.139 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.140 6.471 -4.846 1.00 0.00 C ATOM 1015 C GLN A 65 -11.759 7.947 -4.844 1.00 0.00 C ATOM 1016 O GLN A 65 -12.386 8.680 -4.088 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.438 5.673 -3.746 1.00 0.00 C ATOM 1018 CG GLN A 65 -9.914 5.856 -3.683 1.00 0.00 C ATOM 1019 CD GLN A 65 -9.236 4.901 -2.706 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -9.953 4.321 -1.751 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -8.038 4.681 -2.790 1.00 0.00 N flip ATOM 0 H GLN A 65 -11.171 6.233 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.211 6.471 -4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.863 5.958 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.656 4.615 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.495 5.706 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.689 6.882 -3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.488 5.127 -3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.587 4.051 -2.126 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.815 8.414 -5.669 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.334 9.792 -5.625 1.00 0.00 C ATOM 1032 C GLY A 66 -9.880 10.193 -4.217 1.00 0.00 C ATOM 1033 O GLY A 66 -10.422 11.128 -3.628 1.00 0.00 O ATOM 0 H GLY A 66 -10.365 7.844 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.504 9.909 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.126 10.464 -5.957 1.00 0.00 H new ATOM 1037 N ALA A 67 -8.924 9.457 -3.645 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.431 9.728 -2.303 1.00 0.00 C ATOM 1039 C ALA A 67 -7.518 10.946 -2.311 1.00 0.00 C ATOM 1040 O ALA A 67 -6.810 11.171 -3.293 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.632 8.532 -1.777 1.00 0.00 C ATOM 0 H ALA A 67 -8.476 8.662 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.292 9.912 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.270 8.750 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.273 7.651 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.784 8.343 -2.435 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.464 11.663 -1.189 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.438 12.676 -0.971 1.00 0.00 C ATOM 1049 C VAL A 68 -5.159 12.020 -0.433 1.00 0.00 C ATOM 1050 O VAL A 68 -4.078 12.231 -0.984 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.969 13.818 -0.075 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.789 14.799 -0.929 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.856 13.372 1.092 1.00 0.00 C ATOM 0 H VAL A 68 -8.122 11.559 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.178 13.142 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.078 14.272 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.164 15.605 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.156 15.216 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.629 14.272 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.177 14.245 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.731 12.849 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.292 12.704 1.743 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.265 11.183 0.604 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.164 10.803 1.509 1.00 0.00 C ATOM 1065 C ASP A 69 -3.212 9.731 0.956 1.00 0.00 C ATOM 1066 O ASP A 69 -2.464 9.109 1.703 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.725 10.492 2.912 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.863 11.758 3.767 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -5.158 12.853 3.223 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.654 11.661 4.996 1.00 0.00 O ATOM 0 H ASP A 69 -6.147 10.734 0.849 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.504 11.666 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.699 10.012 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.068 9.783 3.416 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.189 9.516 -0.360 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.443 8.416 -0.972 1.00 0.00 C ATOM 1077 C ILE A 70 -0.929 8.560 -0.768 1.00 0.00 C ATOM 1078 O ILE A 70 -0.220 7.566 -0.611 1.00 0.00 O ATOM 1079 CB ILE A 70 -2.901 8.237 -2.430 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.393 6.934 -3.087 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.617 9.462 -3.319 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.011 5.661 -2.499 1.00 0.00 C ATOM 0 H ILE A 70 -3.687 10.100 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.673 7.480 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.985 8.145 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.607 6.970 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.309 6.883 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.966 9.265 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.139 10.331 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.545 9.658 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.605 4.789 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.776 5.600 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.093 5.688 -2.630 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.436 9.798 -0.684 1.00 0.00 N ATOM 1095 CA ASN A 71 0.971 10.078 -0.442 1.00 0.00 C ATOM 1096 C ASN A 71 1.353 9.799 1.012 1.00 0.00 C ATOM 1097 O ASN A 71 2.536 9.614 1.275 1.00 0.00 O ATOM 1098 CB ASN A 71 1.279 11.550 -0.769 1.00 0.00 C ATOM 1099 CG ASN A 71 1.576 11.853 -2.235 1.00 0.00 C ATOM 1100 OD1 ASN A 71 2.316 12.780 -2.548 1.00 0.00 O ATOM 1101 ND2 ASN A 71 0.980 11.160 -3.187 1.00 0.00 N ATOM 0 H ASN A 71 -1.010 10.635 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 71 1.555 9.422 -1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.430 12.158 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.134 11.865 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.138 11.398 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.362 10.386 -2.944 1.00 0.00 H new ATOM 1108 N ARG A 72 0.406 9.762 1.964 1.00 0.00 N ATOM 1109 CA ARG A 72 0.773 9.655 3.379 1.00 0.00 C ATOM 1110 C ARG A 72 1.481 8.332 3.640 1.00 0.00 C ATOM 1111 O ARG A 72 2.587 8.329 4.176 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.417 9.845 4.343 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.586 11.285 4.838 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.215 12.182 3.773 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.148 13.609 4.133 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.908 14.251 5.030 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -2.915 13.649 5.646 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -1.675 15.519 5.336 1.00 0.00 N ATOM 0 H ARG A 72 -0.597 9.804 1.783 1.00 0.00 H new ATOM 0 HA ARG A 72 1.455 10.479 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.333 9.533 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.285 9.188 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.209 11.291 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.386 11.687 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.706 12.025 2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.256 11.895 3.628 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.447 14.168 3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.128 12.673 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.478 14.162 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.908 16.020 4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.262 15.995 6.021 1.00 0.00 H new ATOM 1132 N LEU A 73 0.864 7.214 3.242 1.00 0.00 N ATOM 1133 CA LEU A 73 1.491 5.901 3.395 1.00 0.00 C ATOM 1134 C LEU A 73 2.775 5.807 2.567 1.00 0.00 C ATOM 1135 O LEU A 73 3.689 5.095 2.967 1.00 0.00 O ATOM 1136 CB LEU A 73 0.533 4.746 3.045 1.00 0.00 C ATOM 1137 CG LEU A 73 -0.013 4.775 1.597 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.065 3.417 0.896 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.461 5.254 1.567 1.00 0.00 C ATOM 0 H LEU A 73 -0.062 7.194 2.815 1.00 0.00 H new ATOM 0 HA LEU A 73 1.747 5.797 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.052 3.801 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.309 4.768 3.737 1.00 0.00 H new ATOM 0 HG LEU A 73 0.629 5.472 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.333 3.506 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.104 3.091 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.520 2.686 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.819 5.265 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.080 4.580 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.520 6.260 1.982 1.00 0.00 H new ATOM 1151 N CYS A 74 2.861 6.512 1.430 1.00 0.00 N ATOM 1152 CA CYS A 74 4.046 6.509 0.588 1.00 0.00 C ATOM 1153 C CYS A 74 5.240 7.087 1.341 1.00 0.00 C ATOM 1154 O CYS A 74 6.332 6.532 1.244 1.00 0.00 O ATOM 1155 CB CYS A 74 3.811 7.273 -0.722 1.00 0.00 C ATOM 1156 SG CYS A 74 2.549 6.469 -1.761 1.00 0.00 S ATOM 0 H CYS A 74 2.105 7.098 1.076 1.00 0.00 H new ATOM 0 HA CYS A 74 4.265 5.473 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.499 8.293 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.747 7.341 -1.276 1.00 0.00 H new ATOM 0 HG CYS A 74 1.366 6.846 -1.376 1.00 0.00 H new ATOM 1162 N GLU A 75 5.065 8.192 2.063 1.00 0.00 N ATOM 1163 CA GLU A 75 6.161 8.831 2.786 1.00 0.00 C ATOM 1164 C GLU A 75 6.550 8.074 4.052 1.00 0.00 C ATOM 1165 O GLU A 75 7.627 8.325 4.588 1.00 0.00 O ATOM 1166 CB GLU A 75 5.808 10.281 3.109 1.00 0.00 C ATOM 1167 CG GLU A 75 5.801 11.113 1.825 1.00 0.00 C ATOM 1168 CD GLU A 75 5.951 12.602 2.117 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.467 13.074 3.172 1.00 0.00 O ATOM 1170 OE2 GLU A 75 6.591 13.276 1.272 1.00 0.00 O ATOM 0 H GLU A 75 4.167 8.666 2.163 1.00 0.00 H new ATOM 0 HA GLU A 75 7.032 8.812 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.830 10.328 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.530 10.692 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.613 10.786 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.870 10.940 1.284 1.00 0.00 H new ATOM 1177 N GLU A 76 5.728 7.128 4.507 1.00 0.00 N ATOM 1178 CA GLU A 76 6.171 6.135 5.466 1.00 0.00 C ATOM 1179 C GLU A 76 7.043 5.131 4.690 1.00 0.00 C ATOM 1180 O GLU A 76 8.270 5.142 4.790 1.00 0.00 O ATOM 1181 CB GLU A 76 4.948 5.543 6.200 1.00 0.00 C ATOM 1182 CG GLU A 76 5.350 4.745 7.449 1.00 0.00 C ATOM 1183 CD GLU A 76 4.162 4.488 8.392 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.244 3.719 8.020 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.197 5.007 9.535 1.00 0.00 O ATOM 0 H GLU A 76 4.753 7.035 4.222 1.00 0.00 H new ATOM 0 HA GLU A 76 6.788 6.542 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.274 6.350 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.397 4.895 5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.780 3.791 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.127 5.287 7.988 1.00 0.00 H new ATOM 1192 N MET A 77 6.451 4.289 3.847 1.00 0.00 N ATOM 1193 CA MET A 77 7.131 3.110 3.304 1.00 0.00 C ATOM 1194 C MET A 77 8.334 3.390 2.393 1.00 0.00 C ATOM 1195 O MET A 77 9.305 2.630 2.443 1.00 0.00 O ATOM 1196 CB MET A 77 6.101 2.205 2.631 1.00 0.00 C ATOM 1197 CG MET A 77 5.393 2.858 1.439 1.00 0.00 C ATOM 1198 SD MET A 77 3.774 2.125 1.090 1.00 0.00 S ATOM 1199 CE MET A 77 3.362 2.945 -0.457 1.00 0.00 C ATOM 0 H MET A 77 5.491 4.401 3.521 1.00 0.00 H new ATOM 0 HA MET A 77 7.586 2.604 4.155 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.596 1.294 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.354 1.908 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.269 3.923 1.636 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.024 2.769 0.555 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.736 2.289 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.823 3.869 -0.247 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.278 3.175 -1.002 1.00 0.00 H new ATOM 1209 N LEU A 78 8.322 4.452 1.574 1.00 0.00 N ATOM 1210 CA LEU A 78 9.472 4.810 0.744 1.00 0.00 C ATOM 1211 C LEU A 78 10.647 5.145 1.659 1.00 0.00 C ATOM 1212 O LEU A 78 11.782 4.767 1.385 1.00 0.00 O ATOM 1213 CB LEU A 78 9.137 6.003 -0.182 1.00 0.00 C ATOM 1214 CG LEU A 78 9.785 5.934 -1.575 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.434 7.179 -2.390 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.297 5.785 -1.535 1.00 0.00 C ATOM 0 H LEU A 78 7.523 5.078 1.472 1.00 0.00 H new ATOM 0 HA LEU A 78 9.735 3.969 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.055 6.061 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.453 6.925 0.306 1.00 0.00 H new ATOM 0 HG LEU A 78 9.380 5.038 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.901 7.114 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.352 7.245 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.799 8.067 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.686 5.743 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.733 6.638 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.558 4.867 -1.009 1.00 0.00 H new ATOM 1228 N ASP A 79 10.374 5.812 2.779 1.00 0.00 N ATOM 1229 CA ASP A 79 11.417 6.221 3.699 1.00 0.00 C ATOM 1230 C ASP A 79 11.927 5.064 4.525 1.00 0.00 C ATOM 1231 O ASP A 79 13.106 4.989 4.856 1.00 0.00 O ATOM 1232 CB ASP A 79 10.901 7.285 4.659 1.00 0.00 C ATOM 1233 CG ASP A 79 12.049 8.231 4.915 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.245 9.141 4.074 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.819 8.045 5.881 1.00 0.00 O ATOM 0 H ASP A 79 9.432 6.079 3.066 1.00 0.00 H new ATOM 0 HA ASP A 79 12.229 6.615 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.051 7.815 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.557 6.833 5.589 1.00 0.00 H new ATOM 1240 N ASN A 80 11.034 4.146 4.871 1.00 0.00 N ATOM 1241 CA ASN A 80 11.372 3.086 5.805 1.00 0.00 C ATOM 1242 C ASN A 80 12.258 2.053 5.132 1.00 0.00 C ATOM 1243 O ASN A 80 13.139 1.503 5.783 1.00 0.00 O ATOM 1244 CB ASN A 80 10.119 2.496 6.454 1.00 0.00 C ATOM 1245 CG ASN A 80 9.703 3.402 7.605 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.870 3.078 8.772 1.00 0.00 O ATOM 1247 ND2 ASN A 80 9.191 4.579 7.302 1.00 0.00 N ATOM 0 H ASN A 80 10.077 4.116 4.520 1.00 0.00 H new ATOM 0 HA ASN A 80 11.953 3.504 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.314 2.417 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.319 1.488 6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.930 5.228 8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.056 4.840 6.325 1.00 0.00 H new ATOM 1254 N ARG A 81 12.152 1.849 3.813 1.00 0.00 N ATOM 1255 CA ARG A 81 13.164 1.042 3.132 1.00 0.00 C ATOM 1256 C ARG A 81 14.535 1.724 3.161 1.00 0.00 C ATOM 1257 O ARG A 81 15.557 1.044 3.074 1.00 0.00 O ATOM 1258 CB ARG A 81 12.707 0.653 1.729 1.00 0.00 C ATOM 1259 CG ARG A 81 12.665 1.785 0.695 1.00 0.00 C ATOM 1260 CD ARG A 81 13.597 1.499 -0.484 1.00 0.00 C ATOM 1261 NE ARG A 81 13.620 2.585 -1.491 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.173 3.801 -1.346 1.00 0.00 C ATOM 1263 NH1 ARG A 81 14.770 4.162 -0.224 1.00 0.00 N ATOM 1264 NH2 ARG A 81 14.182 4.692 -2.323 1.00 0.00 N ATOM 0 H ARG A 81 11.408 2.215 3.219 1.00 0.00 H new ATOM 0 HA ARG A 81 13.285 0.107 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.370 -0.128 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.711 0.217 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.645 1.911 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.953 2.724 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.608 1.340 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.287 0.572 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 81 13.170 2.390 -2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.819 3.511 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.181 5.092 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.760 4.466 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.611 5.606 -2.176 1.00 0.00 H new ATOM 1278 N ALA A 82 14.542 3.056 3.267 1.00 0.00 N ATOM 1279 CA ALA A 82 15.695 3.944 3.230 1.00 0.00 C ATOM 1280 C ALA A 82 16.373 4.147 4.593 1.00 0.00 C ATOM 1281 O ALA A 82 17.378 4.857 4.636 1.00 0.00 O ATOM 1282 CB ALA A 82 15.271 5.310 2.652 1.00 0.00 C ATOM 0 H ALA A 82 13.673 3.575 3.390 1.00 0.00 H new ATOM 0 HA ALA A 82 16.436 3.461 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.133 5.976 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.884 5.174 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.496 5.747 3.281 1.00 0.00 H new ATOM 1288 N THR A 83 15.888 3.541 5.682 1.00 0.00 N ATOM 1289 CA THR A 83 16.573 3.618 6.974 1.00 0.00 C ATOM 1290 C THR A 83 17.449 2.378 7.213 1.00 0.00 C ATOM 1291 O THR A 83 18.462 2.444 7.902 1.00 0.00 O ATOM 1292 CB THR A 83 15.542 3.938 8.066 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.148 4.509 9.199 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.748 2.737 8.551 1.00 0.00 C ATOM 0 H THR A 83 15.027 2.994 5.694 1.00 0.00 H new ATOM 0 HA THR A 83 17.290 4.438 6.994 1.00 0.00 H new ATOM 0 HB THR A 83 14.860 4.635 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.464 4.702 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.044 3.053 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.200 2.301 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.429 1.994 8.965 1.00 0.00 H new ATOM 1302 N LEU A 84 17.091 1.236 6.619 1.00 0.00 N ATOM 1303 CA LEU A 84 17.735 -0.057 6.783 1.00 0.00 C ATOM 1304 C LEU A 84 19.067 -0.261 6.073 1.00 0.00 C ATOM 1305 O LEU A 84 19.690 -1.322 6.206 1.00 0.00 O ATOM 1306 CB LEU A 84 16.745 -1.110 6.270 1.00 0.00 C ATOM 1307 CG LEU A 84 15.854 -1.657 7.392 1.00 0.00 C ATOM 1308 CD1 LEU A 84 14.761 -0.711 7.857 1.00 0.00 C ATOM 1309 CD2 LEU A 84 15.186 -2.963 6.974 1.00 0.00 C ATOM 0 H LEU A 84 16.300 1.194 5.977 1.00 0.00 H new ATOM 0 HA LEU A 84 17.983 -0.137 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.120 -0.671 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.295 -1.931 5.811 1.00 0.00 H new ATOM 0 HG LEU A 84 16.541 -1.804 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.184 -1.184 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.211 0.208 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.103 -0.476 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.560 -3.328 7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.569 -2.790 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.950 -3.705 6.743 1.00 0.00 H new ATOM 1321 N GLN A 85 19.489 0.719 5.303 1.00 0.00 N ATOM 1322 CA GLN A 85 20.694 0.659 4.506 1.00 0.00 C ATOM 1323 C GLN A 85 21.489 1.932 4.683 1.00 0.00 C ATOM 1324 O GLN A 85 22.685 1.900 4.326 1.00 0.00 O ATOM 1325 CB GLN A 85 20.366 0.317 3.041 1.00 0.00 C ATOM 1326 CG GLN A 85 19.306 1.153 2.310 1.00 0.00 C ATOM 1327 CD GLN A 85 19.747 2.597 2.094 1.00 0.00 C ATOM 1328 OE1 GLN A 85 20.602 2.901 1.263 1.00 0.00 O ATOM 1329 NE2 GLN A 85 19.185 3.510 2.854 1.00 0.00 N ATOM 0 H GLN A 85 18.989 1.603 5.212 1.00 0.00 H new ATOM 0 HA GLN A 85 21.333 -0.153 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.292 0.385 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.046 -0.725 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.089 0.695 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.380 1.142 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.478 3.240 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.456 4.489 2.760 1.00 0.00 H new TER 1338 GLN A 85