USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 92 THR OG1 : rot 180:sc= 0.0604 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.815 K(o=0.88,f=-3.1!) USER MOD Set 2.1: A 78 SER OG : rot -78:sc= 1.5 USER MOD Set 2.2: A 80 CYS SG : rot 92:sc= 0.302 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.488 K(o=0.6,f=-1.5!) USER MOD Set 3.2: A 61 THR OG1 : rot -121:sc= 1.09 USER MOD Set 4.1: A 23 LYS NZ :NH3+ 170:sc= 1.77 (180deg=0.317) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.0994 K(o=1.9,f=-10!) USER MOD Set 5.1: A 8 CYS SG : rot -158:sc= 0.561 USER MOD Set 5.2: A 15 SER OG : rot -171:sc= 0.594 USER MOD Set 6.1: A 11 ASN : amide:sc= -1.41! C(o=-2.6!,f=-3.5!) USER MOD Set 6.2: A 12 SER OG : rot -149:sc= 0.871 USER MOD Set 6.3: A 43 HIS : no HD1:sc= -2.05! C(o=-2.6!,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.134 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.29) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.19) USER MOD Single : A 5 MET CE :methyl -176:sc= -0.125 (180deg=-0.148) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0.146 USER MOD Single : A 17 MET CE :methyl -160:sc= -0.996 (180deg=-2.31!) USER MOD Single : A 24 THR OG1 : rot 100:sc= 0.573 USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.01) USER MOD Single : A 33 THR OG1 : rot 72:sc= 0.651 USER MOD Single : A 34 SER OG : rot 35:sc= 1.15 USER MOD Single : A 35 CYS SG : rot -96:sc= 0.313 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 171:sc= -1.14 (180deg=-1.61) USER MOD Single : A 50 MET CE :methyl -172:sc= -1.86 (180deg=-2.12) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 22:sc= 0.464 USER MOD Single : A 67 ASN : amide:sc= 0.511 K(o=0.51,f=-0.58) USER MOD Single : A 69 ASN : amide:sc= 0.186 X(o=0.19,f=-0.064) USER MOD Single : A 73 TYR OH : rot 79:sc= 0.789 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 100 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.3!) USER MOD Single : A 107 GLN : amide:sc= 0.29 X(o=0.29,f=-0.11) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 120 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.24) USER MOD Single : A 125 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.048 -1.648 1.978 1.00 0.00 N ATOM 2 CA MET A 1 1.845 -0.790 1.043 1.00 0.00 C ATOM 3 C MET A 1 3.130 -1.540 0.611 1.00 0.00 C ATOM 4 O MET A 1 3.473 -2.509 1.274 1.00 0.00 O ATOM 5 CB MET A 1 2.108 0.602 1.686 1.00 0.00 C ATOM 6 CG MET A 1 2.221 1.740 0.663 1.00 0.00 C ATOM 7 SD MET A 1 0.781 1.949 -0.424 1.00 0.00 S ATOM 8 CE MET A 1 1.289 3.420 -1.356 1.00 0.00 C ATOM 0 H1 MET A 1 0.115 -1.841 1.562 1.00 0.00 H new ATOM 0 H2 MET A 1 1.548 -2.546 2.137 1.00 0.00 H new ATOM 0 H3 MET A 1 0.927 -1.154 2.885 1.00 0.00 H new ATOM 0 HA MET A 1 1.283 -0.595 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.301 0.830 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.028 0.556 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.390 2.674 1.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.101 1.565 0.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.511 3.684 -2.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.446 4.251 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.216 3.211 -1.889 1.00 0.00 H new ATOM 18 N LYS A 2 3.843 -1.149 -0.470 1.00 0.00 N ATOM 19 CA LYS A 2 4.942 -1.968 -1.041 1.00 0.00 C ATOM 20 C LYS A 2 5.968 -2.289 0.024 1.00 0.00 C ATOM 21 O LYS A 2 6.548 -1.375 0.599 1.00 0.00 O ATOM 22 CB LYS A 2 5.674 -1.337 -2.247 1.00 0.00 C ATOM 23 CG LYS A 2 4.760 -0.908 -3.395 1.00 0.00 C ATOM 24 CD LYS A 2 4.258 0.547 -3.244 1.00 0.00 C ATOM 25 CE LYS A 2 5.211 1.625 -3.810 1.00 0.00 C ATOM 26 NZ LYS A 2 4.780 2.048 -5.177 1.00 0.00 N ATOM 0 H LYS A 2 3.679 -0.273 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 2 4.448 -2.866 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.233 -0.468 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.402 -2.053 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.297 -1.007 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.904 -1.581 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.293 0.637 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.090 0.750 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.227 2.489 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.228 1.234 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.423 2.784 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.804 1.229 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.812 2.426 -5.134 1.00 0.00 H new ATOM 40 N LYS A 3 6.161 -3.562 0.325 1.00 0.00 N ATOM 41 CA LYS A 3 6.960 -3.993 1.453 1.00 0.00 C ATOM 42 C LYS A 3 8.403 -4.058 0.993 1.00 0.00 C ATOM 43 O LYS A 3 8.685 -4.593 -0.076 1.00 0.00 O ATOM 44 CB LYS A 3 6.397 -5.337 1.932 1.00 0.00 C ATOM 45 CG LYS A 3 4.983 -5.205 2.512 1.00 0.00 C ATOM 46 CD LYS A 3 4.398 -6.510 3.063 1.00 0.00 C ATOM 47 CE LYS A 3 5.217 -7.074 4.239 1.00 0.00 C ATOM 48 NZ LYS A 3 4.535 -8.206 4.916 1.00 0.00 N ATOM 0 H LYS A 3 5.762 -4.331 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 3 6.924 -3.309 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.381 -6.039 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.060 -5.756 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.999 -4.463 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.320 -4.823 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.373 -6.335 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.357 -7.251 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.189 -7.405 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.402 -6.280 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.076 -8.483 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.578 -7.915 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.473 -9.014 4.264 1.00 0.00 H new ATOM 62 N VAL A 4 9.312 -3.543 1.811 1.00 0.00 N ATOM 63 CA VAL A 4 10.730 -3.498 1.508 1.00 0.00 C ATOM 64 C VAL A 4 11.482 -4.164 2.647 1.00 0.00 C ATOM 65 O VAL A 4 11.006 -4.169 3.785 1.00 0.00 O ATOM 66 CB VAL A 4 11.228 -2.065 1.249 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.638 -2.094 0.624 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.300 -1.248 0.332 1.00 0.00 C ATOM 0 H VAL A 4 9.077 -3.139 2.718 1.00 0.00 H new ATOM 0 HA VAL A 4 10.916 -4.039 0.581 1.00 0.00 H new ATOM 0 HB VAL A 4 11.242 -1.575 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.978 -1.074 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.328 -2.593 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.606 -2.636 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.713 -0.249 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.216 -1.743 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.313 -1.172 0.788 1.00 0.00 H new ATOM 78 N MET A 5 12.662 -4.702 2.358 1.00 0.00 N ATOM 79 CA MET A 5 13.452 -5.438 3.325 1.00 0.00 C ATOM 80 C MET A 5 14.908 -5.064 3.110 1.00 0.00 C ATOM 81 O MET A 5 15.377 -5.123 1.971 1.00 0.00 O ATOM 82 CB MET A 5 13.238 -6.929 3.068 1.00 0.00 C ATOM 83 CG MET A 5 13.990 -7.839 4.047 1.00 0.00 C ATOM 84 SD MET A 5 13.569 -7.643 5.799 1.00 0.00 S ATOM 85 CE MET A 5 12.000 -8.556 5.840 1.00 0.00 C ATOM 0 H MET A 5 13.096 -4.636 1.437 1.00 0.00 H new ATOM 0 HA MET A 5 13.165 -5.205 4.350 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.172 -7.149 3.127 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.556 -7.163 2.052 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.806 -8.875 3.763 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.059 -7.662 3.929 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.560 -8.478 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.314 -8.134 5.105 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.183 -9.605 5.605 1.00 0.00 H new ATOM 95 N PHE A 6 15.610 -4.736 4.193 1.00 0.00 N ATOM 96 CA PHE A 6 17.008 -4.336 4.161 1.00 0.00 C ATOM 97 C PHE A 6 17.801 -5.392 4.937 1.00 0.00 C ATOM 98 O PHE A 6 17.672 -5.476 6.159 1.00 0.00 O ATOM 99 CB PHE A 6 17.178 -2.916 4.723 1.00 0.00 C ATOM 100 CG PHE A 6 16.472 -1.875 3.880 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.109 -1.617 4.103 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.127 -1.264 2.795 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.388 -0.810 3.217 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.414 -0.399 1.947 1.00 0.00 C ATOM 105 CZ PHE A 6 15.043 -0.171 2.153 1.00 0.00 C ATOM 0 H PHE A 6 15.212 -4.742 5.132 1.00 0.00 H new ATOM 0 HA PHE A 6 17.388 -4.290 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.788 -2.881 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.240 -2.675 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.615 -2.044 4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.174 -1.459 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.325 -0.678 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.923 0.094 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.497 0.491 1.497 1.00 0.00 H new ATOM 115 N VAL A 7 18.569 -6.240 4.264 1.00 0.00 N ATOM 116 CA VAL A 7 19.190 -7.419 4.891 1.00 0.00 C ATOM 117 C VAL A 7 20.605 -7.044 5.333 1.00 0.00 C ATOM 118 O VAL A 7 21.276 -6.291 4.632 1.00 0.00 O ATOM 119 CB VAL A 7 19.202 -8.628 3.923 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.470 -9.950 4.649 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.887 -8.773 3.133 1.00 0.00 C ATOM 0 H VAL A 7 18.783 -6.138 3.272 1.00 0.00 H new ATOM 0 HA VAL A 7 18.606 -7.722 5.760 1.00 0.00 H new ATOM 0 HB VAL A 7 20.015 -8.419 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.469 -10.768 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.440 -9.903 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.692 -10.121 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.953 -9.637 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.059 -8.911 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.718 -7.874 2.540 1.00 0.00 H new ATOM 131 N CYS A 8 21.082 -7.572 6.460 1.00 0.00 N ATOM 132 CA CYS A 8 22.463 -7.435 6.915 1.00 0.00 C ATOM 133 C CYS A 8 23.055 -8.818 7.239 1.00 0.00 C ATOM 134 O CYS A 8 22.411 -9.853 7.058 1.00 0.00 O ATOM 135 CB CYS A 8 22.526 -6.471 8.119 1.00 0.00 C ATOM 136 SG CYS A 8 24.158 -5.660 8.175 1.00 0.00 S ATOM 0 H CYS A 8 20.503 -8.120 7.097 1.00 0.00 H new ATOM 0 HA CYS A 8 23.072 -7.004 6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.739 -5.721 8.038 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.350 -7.019 9.045 1.00 0.00 H new ATOM 0 HG CYS A 8 24.386 -5.226 9.379 1.00 0.00 H new ATOM 142 N LYS A 9 24.306 -8.817 7.712 1.00 0.00 N ATOM 143 CA LYS A 9 25.052 -10.000 8.161 1.00 0.00 C ATOM 144 C LYS A 9 26.077 -9.564 9.212 1.00 0.00 C ATOM 145 O LYS A 9 26.185 -10.191 10.265 1.00 0.00 O ATOM 146 CB LYS A 9 25.709 -10.681 6.939 1.00 0.00 C ATOM 147 CG LYS A 9 26.552 -11.929 7.253 1.00 0.00 C ATOM 148 CD LYS A 9 25.745 -13.075 7.884 1.00 0.00 C ATOM 149 CE LYS A 9 26.649 -14.305 8.074 1.00 0.00 C ATOM 150 NZ LYS A 9 25.925 -15.458 8.671 1.00 0.00 N ATOM 0 H LYS A 9 24.849 -7.958 7.796 1.00 0.00 H new ATOM 0 HA LYS A 9 24.390 -10.733 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.925 -10.961 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.344 -9.952 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.015 -12.286 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.360 -11.650 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.338 -12.760 8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.898 -13.330 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.063 -14.600 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.490 -14.038 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.578 -16.260 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.552 -15.188 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.138 -15.733 8.050 1.00 0.00 H new ATOM 164 N ARG A 10 26.807 -8.472 8.933 1.00 0.00 N ATOM 165 CA ARG A 10 27.664 -7.778 9.909 1.00 0.00 C ATOM 166 C ARG A 10 26.774 -7.076 10.947 1.00 0.00 C ATOM 167 O ARG A 10 25.575 -7.355 11.024 1.00 0.00 O ATOM 168 CB ARG A 10 28.639 -6.820 9.155 1.00 0.00 C ATOM 169 CG ARG A 10 30.129 -7.179 9.314 1.00 0.00 C ATOM 170 CD ARG A 10 30.759 -6.745 10.654 1.00 0.00 C ATOM 171 NE ARG A 10 31.783 -7.705 11.110 1.00 0.00 N ATOM 172 CZ ARG A 10 33.104 -7.656 10.877 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.632 -6.724 10.090 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.904 -8.560 11.438 1.00 0.00 N ATOM 0 H ARG A 10 26.819 -8.040 8.009 1.00 0.00 H new ATOM 0 HA ARG A 10 28.292 -8.479 10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.387 -6.825 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.482 -5.803 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.242 -8.258 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.688 -6.719 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.209 -5.758 10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.980 -6.656 11.411 1.00 0.00 H new ATOM 0 HE ARG A 10 31.450 -8.494 11.664 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.031 -6.028 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.639 -6.705 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.512 -9.284 12.040 1.00 0.00 H new ATOM 0 HH22 ARG A 10 34.909 -8.529 11.265 1.00 0.00 H new ATOM 188 N ASN A 11 27.363 -6.192 11.760 1.00 0.00 N ATOM 189 CA ASN A 11 26.650 -5.431 12.782 1.00 0.00 C ATOM 190 C ASN A 11 25.387 -4.817 12.177 1.00 0.00 C ATOM 191 O ASN A 11 25.413 -4.343 11.038 1.00 0.00 O ATOM 192 CB ASN A 11 27.560 -4.379 13.430 1.00 0.00 C ATOM 193 CG ASN A 11 27.043 -3.935 14.798 1.00 0.00 C ATOM 194 OD1 ASN A 11 25.961 -4.304 15.245 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.828 -3.140 15.500 1.00 0.00 N ATOM 0 H ASN A 11 28.361 -5.985 11.723 1.00 0.00 H new ATOM 0 HA ASN A 11 26.346 -6.105 13.583 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.565 -4.787 13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.636 -3.512 12.773 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.538 -2.825 16.426 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.725 -2.841 15.117 1.00 0.00 H new ATOM 202 N SER A 12 24.289 -4.833 12.925 1.00 0.00 N ATOM 203 CA SER A 12 22.941 -4.500 12.463 1.00 0.00 C ATOM 204 C SER A 12 22.818 -3.118 11.814 1.00 0.00 C ATOM 205 O SER A 12 21.910 -2.889 11.014 1.00 0.00 O ATOM 206 CB SER A 12 21.997 -4.648 13.663 1.00 0.00 C ATOM 207 OG SER A 12 22.587 -4.182 14.867 1.00 0.00 O ATOM 0 H SER A 12 24.312 -5.089 13.912 1.00 0.00 H new ATOM 0 HA SER A 12 22.673 -5.188 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.078 -4.093 13.472 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.719 -5.696 13.778 1.00 0.00 H new ATOM 0 HG SER A 12 22.237 -4.697 15.624 1.00 0.00 H new ATOM 213 N CYS A 13 23.749 -2.224 12.150 1.00 0.00 N ATOM 214 CA CYS A 13 23.779 -0.818 11.803 1.00 0.00 C ATOM 215 C CYS A 13 23.379 -0.517 10.356 1.00 0.00 C ATOM 216 O CYS A 13 22.319 0.055 10.160 1.00 0.00 O ATOM 217 CB CYS A 13 25.190 -0.275 12.122 1.00 0.00 C ATOM 218 SG CYS A 13 25.786 -0.875 13.737 1.00 0.00 S ATOM 0 H CYS A 13 24.557 -2.492 12.713 1.00 0.00 H new ATOM 0 HA CYS A 13 23.022 -0.311 12.401 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.885 -0.581 11.340 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.170 0.815 12.122 1.00 0.00 H new ATOM 0 HG CYS A 13 26.974 -0.398 13.966 1.00 0.00 H new ATOM 224 N ARG A 14 24.160 -0.912 9.338 1.00 0.00 N ATOM 225 CA ARG A 14 23.932 -0.408 7.968 1.00 0.00 C ATOM 226 C ARG A 14 22.529 -0.649 7.426 1.00 0.00 C ATOM 227 O ARG A 14 21.901 0.295 6.958 1.00 0.00 O ATOM 228 CB ARG A 14 25.078 -0.795 6.999 1.00 0.00 C ATOM 229 CG ARG A 14 25.221 -2.288 6.647 1.00 0.00 C ATOM 230 CD ARG A 14 26.459 -2.522 5.767 1.00 0.00 C ATOM 231 NE ARG A 14 26.570 -3.937 5.350 1.00 0.00 N ATOM 232 CZ ARG A 14 27.685 -4.526 4.891 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.790 -3.815 4.696 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.692 -5.827 4.624 1.00 0.00 N ATOM 0 H ARG A 14 24.939 -1.564 9.430 1.00 0.00 H new ATOM 0 HA ARG A 14 23.972 0.678 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.939 -0.240 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.019 -0.458 7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.302 -2.876 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.328 -2.631 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.404 -1.885 4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.356 -2.232 6.315 1.00 0.00 H new ATOM 0 HE ARG A 14 25.730 -4.512 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.795 -2.815 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.634 -4.269 4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.848 -6.382 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.541 -6.271 4.275 1.00 0.00 H new ATOM 248 N SER A 15 21.991 -1.856 7.547 1.00 0.00 N ATOM 249 CA SER A 15 20.736 -2.159 6.872 1.00 0.00 C ATOM 250 C SER A 15 19.535 -1.779 7.736 1.00 0.00 C ATOM 251 O SER A 15 18.520 -1.341 7.200 1.00 0.00 O ATOM 252 CB SER A 15 20.731 -3.616 6.431 1.00 0.00 C ATOM 253 OG SER A 15 22.065 -4.031 6.188 1.00 0.00 O ATOM 0 H SER A 15 22.390 -2.622 8.090 1.00 0.00 H new ATOM 0 HA SER A 15 20.648 -1.550 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.277 -4.240 7.201 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.130 -3.734 5.529 1.00 0.00 H new ATOM 0 HG SER A 15 22.061 -4.915 5.765 1.00 0.00 H new ATOM 259 N GLN A 16 19.648 -1.826 9.069 1.00 0.00 N ATOM 260 CA GLN A 16 18.598 -1.276 9.930 1.00 0.00 C ATOM 261 C GLN A 16 18.586 0.259 9.831 1.00 0.00 C ATOM 262 O GLN A 16 17.541 0.889 9.990 1.00 0.00 O ATOM 263 CB GLN A 16 18.772 -1.813 11.359 1.00 0.00 C ATOM 264 CG GLN A 16 17.629 -1.373 12.284 1.00 0.00 C ATOM 265 CD GLN A 16 17.725 -2.010 13.665 1.00 0.00 C ATOM 266 OE1 GLN A 16 18.669 -1.783 14.413 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.759 -2.845 14.008 1.00 0.00 N ATOM 0 H GLN A 16 20.441 -2.232 9.566 1.00 0.00 H new ATOM 0 HA GLN A 16 17.613 -1.603 9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.819 -2.902 11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.721 -1.463 11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.644 -0.288 12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.674 -1.638 11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.983 -3.018 13.369 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.789 -3.316 14.912 1.00 0.00 H new ATOM 276 N MET A 17 19.722 0.893 9.515 1.00 0.00 N ATOM 277 CA MET A 17 19.753 2.313 9.180 1.00 0.00 C ATOM 278 C MET A 17 19.068 2.541 7.846 1.00 0.00 C ATOM 279 O MET A 17 18.270 3.462 7.724 1.00 0.00 O ATOM 280 CB MET A 17 21.193 2.828 9.110 1.00 0.00 C ATOM 281 CG MET A 17 21.270 4.300 9.501 1.00 0.00 C ATOM 282 SD MET A 17 20.335 5.524 8.550 1.00 0.00 S ATOM 283 CE MET A 17 18.790 5.808 9.486 1.00 0.00 C ATOM 0 H MET A 17 20.634 0.438 9.486 1.00 0.00 H new ATOM 0 HA MET A 17 19.227 2.860 9.962 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.826 2.239 9.774 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.581 2.696 8.100 1.00 0.00 H new ATOM 0 HG2 MET A 17 20.950 4.379 10.540 1.00 0.00 H new ATOM 0 HG3 MET A 17 22.319 4.593 9.468 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.039 6.242 8.826 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.423 4.860 9.879 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.985 6.492 10.312 1.00 0.00 H new ATOM 293 N ALA A 18 19.314 1.681 6.863 1.00 0.00 N ATOM 294 CA ALA A 18 18.662 1.804 5.576 1.00 0.00 C ATOM 295 C ALA A 18 17.145 1.726 5.766 1.00 0.00 C ATOM 296 O ALA A 18 16.426 2.548 5.211 1.00 0.00 O ATOM 297 CB ALA A 18 19.226 0.736 4.641 1.00 0.00 C ATOM 0 H ALA A 18 19.960 0.895 6.938 1.00 0.00 H new ATOM 0 HA ALA A 18 18.860 2.770 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.745 0.815 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.300 0.882 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.036 -0.252 5.060 1.00 0.00 H new ATOM 303 N GLU A 19 16.668 0.841 6.645 1.00 0.00 N ATOM 304 CA GLU A 19 15.279 0.810 7.077 1.00 0.00 C ATOM 305 C GLU A 19 14.868 2.133 7.739 1.00 0.00 C ATOM 306 O GLU A 19 13.754 2.589 7.496 1.00 0.00 O ATOM 307 CB GLU A 19 15.080 -0.388 8.018 1.00 0.00 C ATOM 308 CG GLU A 19 13.654 -0.517 8.570 1.00 0.00 C ATOM 309 CD GLU A 19 13.511 -1.612 9.647 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.512 -1.972 10.312 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.370 -2.065 9.879 1.00 0.00 O ATOM 0 H GLU A 19 17.246 0.121 7.078 1.00 0.00 H new ATOM 0 HA GLU A 19 14.631 0.690 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.336 -1.303 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.775 -0.301 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.348 0.440 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.972 -0.735 7.748 1.00 0.00 H new ATOM 318 N GLY A 20 15.713 2.785 8.545 1.00 0.00 N ATOM 319 CA GLY A 20 15.359 4.021 9.231 1.00 0.00 C ATOM 320 C GLY A 20 15.251 5.206 8.282 1.00 0.00 C ATOM 321 O GLY A 20 14.280 5.953 8.355 1.00 0.00 O ATOM 0 H GLY A 20 16.662 2.465 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.409 3.886 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.108 4.237 9.993 1.00 0.00 H new ATOM 325 N PHE A 21 16.178 5.364 7.332 1.00 0.00 N ATOM 326 CA PHE A 21 16.009 6.354 6.269 1.00 0.00 C ATOM 327 C PHE A 21 14.810 5.965 5.416 1.00 0.00 C ATOM 328 O PHE A 21 14.068 6.843 4.999 1.00 0.00 O ATOM 329 CB PHE A 21 17.262 6.473 5.383 1.00 0.00 C ATOM 330 CG PHE A 21 18.352 7.409 5.869 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.071 8.753 6.181 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.682 6.961 5.917 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.101 9.614 6.597 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.707 7.818 6.334 1.00 0.00 C ATOM 335 CZ PHE A 21 20.422 9.147 6.685 1.00 0.00 C ATOM 0 H PHE A 21 17.042 4.825 7.279 1.00 0.00 H new ATOM 0 HA PHE A 21 15.848 7.326 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.693 5.479 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.948 6.801 4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.060 9.124 6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.916 5.947 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.875 10.639 6.850 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.723 7.455 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.211 9.804 7.020 1.00 0.00 H new ATOM 345 N ALA A 22 14.578 4.676 5.157 1.00 0.00 N ATOM 346 CA ALA A 22 13.523 4.265 4.241 1.00 0.00 C ATOM 347 C ALA A 22 12.142 4.472 4.863 1.00 0.00 C ATOM 348 O ALA A 22 11.249 4.933 4.164 1.00 0.00 O ATOM 349 CB ALA A 22 13.769 2.826 3.776 1.00 0.00 C ATOM 0 H ALA A 22 15.106 3.906 5.568 1.00 0.00 H new ATOM 0 HA ALA A 22 13.545 4.897 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.976 2.524 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.731 2.768 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.775 2.161 4.639 1.00 0.00 H new ATOM 355 N LYS A 23 11.937 4.207 6.157 1.00 0.00 N ATOM 356 CA LYS A 23 10.658 4.508 6.813 1.00 0.00 C ATOM 357 C LYS A 23 10.406 6.019 6.853 1.00 0.00 C ATOM 358 O LYS A 23 9.267 6.449 6.742 1.00 0.00 O ATOM 359 CB LYS A 23 10.575 3.828 8.201 1.00 0.00 C ATOM 360 CG LYS A 23 11.315 4.603 9.301 1.00 0.00 C ATOM 361 CD LYS A 23 11.348 3.920 10.673 1.00 0.00 C ATOM 362 CE LYS A 23 12.009 4.909 11.655 1.00 0.00 C ATOM 363 NZ LYS A 23 12.268 4.310 12.991 1.00 0.00 N ATOM 0 H LYS A 23 12.636 3.787 6.770 1.00 0.00 H new ATOM 0 HA LYS A 23 9.847 4.083 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.528 3.720 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.991 2.823 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.341 4.775 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.847 5.581 9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.340 3.666 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.912 2.988 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.950 5.260 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.366 5.782 11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.860 4.955 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.365 4.154 13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.760 3.401 12.875 1.00 0.00 H new ATOM 377 N THR A 24 11.474 6.803 6.990 1.00 0.00 N ATOM 378 CA THR A 24 11.474 8.257 7.040 1.00 0.00 C ATOM 379 C THR A 24 11.100 8.835 5.669 1.00 0.00 C ATOM 380 O THR A 24 10.198 9.663 5.558 1.00 0.00 O ATOM 381 CB THR A 24 12.897 8.638 7.510 1.00 0.00 C ATOM 382 OG1 THR A 24 13.004 8.451 8.908 1.00 0.00 O ATOM 383 CG2 THR A 24 13.418 10.017 7.127 1.00 0.00 C ATOM 0 H THR A 24 12.414 6.415 7.073 1.00 0.00 H new ATOM 0 HA THR A 24 10.732 8.669 7.724 1.00 0.00 H new ATOM 0 HB THR A 24 13.544 7.960 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.457 7.601 9.091 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.425 10.148 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.439 10.109 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.763 10.782 7.543 1.00 0.00 H new ATOM 391 N LEU A 25 11.781 8.373 4.622 1.00 0.00 N ATOM 392 CA LEU A 25 11.729 8.947 3.284 1.00 0.00 C ATOM 393 C LEU A 25 10.627 8.316 2.428 1.00 0.00 C ATOM 394 O LEU A 25 10.116 8.954 1.511 1.00 0.00 O ATOM 395 CB LEU A 25 13.086 8.732 2.599 1.00 0.00 C ATOM 396 CG LEU A 25 14.246 9.582 3.135 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.542 9.157 2.435 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.027 11.084 2.913 1.00 0.00 C ATOM 0 H LEU A 25 12.401 7.566 4.686 1.00 0.00 H new ATOM 0 HA LEU A 25 11.504 10.009 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.357 7.680 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.971 8.937 1.535 1.00 0.00 H new ATOM 0 HG LEU A 25 14.306 9.415 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.372 9.756 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.735 8.103 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.442 9.309 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.877 11.638 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.931 11.284 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.117 11.399 3.424 1.00 0.00 H new ATOM 410 N GLY A 26 10.253 7.074 2.739 1.00 0.00 N ATOM 411 CA GLY A 26 9.255 6.262 2.046 1.00 0.00 C ATOM 412 C GLY A 26 7.917 6.246 2.788 1.00 0.00 C ATOM 413 O GLY A 26 7.072 5.383 2.536 1.00 0.00 O ATOM 0 H GLY A 26 10.665 6.579 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.107 6.651 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.625 5.242 1.943 1.00 0.00 H new ATOM 417 N ALA A 27 7.738 7.166 3.735 1.00 0.00 N ATOM 418 CA ALA A 27 6.614 7.204 4.656 1.00 0.00 C ATOM 419 C ALA A 27 5.305 7.347 3.881 1.00 0.00 C ATOM 420 O ALA A 27 5.120 8.313 3.139 1.00 0.00 O ATOM 421 CB ALA A 27 6.804 8.363 5.649 1.00 0.00 C ATOM 0 H ALA A 27 8.397 7.930 3.883 1.00 0.00 H new ATOM 0 HA ALA A 27 6.569 6.271 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.961 8.392 6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.727 8.215 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.858 9.305 5.103 1.00 0.00 H new ATOM 427 N GLY A 28 4.406 6.376 4.053 1.00 0.00 N ATOM 428 CA GLY A 28 3.096 6.378 3.405 1.00 0.00 C ATOM 429 C GLY A 28 3.144 5.976 1.934 1.00 0.00 C ATOM 430 O GLY A 28 2.136 6.087 1.236 1.00 0.00 O ATOM 0 H GLY A 28 4.568 5.564 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.435 5.695 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.660 7.374 3.487 1.00 0.00 H new ATOM 434 N LYS A 29 4.298 5.507 1.447 1.00 0.00 N ATOM 435 CA LYS A 29 4.543 5.151 0.063 1.00 0.00 C ATOM 436 C LYS A 29 5.000 3.710 -0.017 1.00 0.00 C ATOM 437 O LYS A 29 4.723 3.035 -1.000 1.00 0.00 O ATOM 438 CB LYS A 29 5.607 6.088 -0.508 1.00 0.00 C ATOM 439 CG LYS A 29 5.137 7.548 -0.578 1.00 0.00 C ATOM 440 CD LYS A 29 3.976 7.745 -1.572 1.00 0.00 C ATOM 441 CE LYS A 29 3.736 9.210 -1.977 1.00 0.00 C ATOM 442 NZ LYS A 29 4.803 9.748 -2.864 1.00 0.00 N ATOM 0 H LYS A 29 5.116 5.362 2.040 1.00 0.00 H new ATOM 0 HA LYS A 29 3.628 5.254 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.505 6.029 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.883 5.751 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.822 7.873 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.974 8.182 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.177 7.160 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.062 7.347 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.775 9.288 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.673 9.824 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.495 10.656 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.673 9.892 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.988 9.073 -3.633 1.00 0.00 H new ATOM 456 N ILE A 30 5.645 3.214 1.036 1.00 0.00 N ATOM 457 CA ILE A 30 6.098 1.842 1.187 1.00 0.00 C ATOM 458 C ILE A 30 5.935 1.411 2.646 1.00 0.00 C ATOM 459 O ILE A 30 5.567 2.211 3.508 1.00 0.00 O ATOM 460 CB ILE A 30 7.569 1.729 0.723 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.523 2.675 1.481 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.652 1.974 -0.791 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.984 2.212 1.460 1.00 0.00 C ATOM 0 H ILE A 30 5.875 3.791 1.845 1.00 0.00 H new ATOM 0 HA ILE A 30 5.497 1.177 0.567 1.00 0.00 H new ATOM 0 HB ILE A 30 7.902 0.718 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.459 3.671 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.192 2.760 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.689 1.894 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.050 1.231 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.276 2.971 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.599 2.923 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.061 1.229 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.332 2.154 0.429 1.00 0.00 H new ATOM 475 N ALA A 31 6.235 0.143 2.902 1.00 0.00 N ATOM 476 CA ALA A 31 6.383 -0.455 4.220 1.00 0.00 C ATOM 477 C ALA A 31 7.822 -0.954 4.235 1.00 0.00 C ATOM 478 O ALA A 31 8.333 -1.386 3.207 1.00 0.00 O ATOM 479 CB ALA A 31 5.363 -1.577 4.413 1.00 0.00 C ATOM 0 H ALA A 31 6.390 -0.531 2.153 1.00 0.00 H new ATOM 0 HA ALA A 31 6.196 0.238 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.486 -2.014 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.355 -1.173 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.519 -2.345 3.655 1.00 0.00 H new ATOM 485 N VAL A 32 8.486 -0.897 5.378 1.00 0.00 N ATOM 486 CA VAL A 32 9.921 -1.094 5.491 1.00 0.00 C ATOM 487 C VAL A 32 10.264 -2.076 6.629 1.00 0.00 C ATOM 488 O VAL A 32 9.591 -2.069 7.664 1.00 0.00 O ATOM 489 CB VAL A 32 10.523 0.316 5.712 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.975 0.375 5.291 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.793 1.466 4.976 1.00 0.00 C ATOM 0 H VAL A 32 8.032 -0.708 6.272 1.00 0.00 H new ATOM 0 HA VAL A 32 10.341 -1.550 4.595 1.00 0.00 H new ATOM 0 HB VAL A 32 10.404 0.470 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.363 1.380 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.553 -0.341 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.057 0.129 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.290 2.411 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.817 1.283 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.758 1.514 5.313 1.00 0.00 H new ATOM 501 N THR A 33 11.302 -2.904 6.437 1.00 0.00 N ATOM 502 CA THR A 33 11.685 -3.994 7.346 1.00 0.00 C ATOM 503 C THR A 33 13.210 -4.217 7.278 1.00 0.00 C ATOM 504 O THR A 33 13.823 -3.824 6.286 1.00 0.00 O ATOM 505 CB THR A 33 10.931 -5.282 6.952 1.00 0.00 C ATOM 506 OG1 THR A 33 9.734 -5.042 6.227 1.00 0.00 O ATOM 507 CG2 THR A 33 10.569 -6.138 8.167 1.00 0.00 C ATOM 0 H THR A 33 11.914 -2.832 5.624 1.00 0.00 H new ATOM 0 HA THR A 33 11.418 -3.729 8.369 1.00 0.00 H new ATOM 0 HB THR A 33 11.635 -5.811 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.955 -4.737 5.322 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.040 -7.032 7.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.479 -6.427 8.692 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.929 -5.565 8.838 1.00 0.00 H new ATOM 515 N SER A 34 13.847 -4.886 8.248 1.00 0.00 N ATOM 516 CA SER A 34 15.266 -5.273 8.194 1.00 0.00 C ATOM 517 C SER A 34 15.443 -6.661 8.822 1.00 0.00 C ATOM 518 O SER A 34 14.616 -7.063 9.645 1.00 0.00 O ATOM 519 CB SER A 34 16.135 -4.200 8.875 1.00 0.00 C ATOM 520 OG SER A 34 17.529 -4.435 8.722 1.00 0.00 O ATOM 0 H SER A 34 13.384 -5.179 9.108 1.00 0.00 H new ATOM 0 HA SER A 34 15.598 -5.337 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.889 -3.223 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.893 -4.164 9.937 1.00 0.00 H new ATOM 0 HG SER A 34 17.700 -4.828 7.840 1.00 0.00 H new ATOM 526 N CYS A 35 16.491 -7.410 8.438 1.00 0.00 N ATOM 527 CA CYS A 35 16.747 -8.757 8.967 1.00 0.00 C ATOM 528 C CYS A 35 18.219 -9.165 8.833 1.00 0.00 C ATOM 529 O CYS A 35 18.987 -8.465 8.177 1.00 0.00 O ATOM 530 CB CYS A 35 15.812 -9.762 8.270 1.00 0.00 C ATOM 531 SG CYS A 35 16.151 -9.943 6.496 1.00 0.00 S ATOM 0 H CYS A 35 17.181 -7.098 7.755 1.00 0.00 H new ATOM 0 HA CYS A 35 16.535 -8.754 10.036 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.910 -10.734 8.753 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.779 -9.441 8.405 1.00 0.00 H new ATOM 0 HG CYS A 35 15.350 -9.174 5.820 1.00 0.00 H new ATOM 537 N GLY A 36 18.609 -10.295 9.446 1.00 0.00 N ATOM 538 CA GLY A 36 20.024 -10.681 9.575 1.00 0.00 C ATOM 539 C GLY A 36 20.724 -9.612 10.402 1.00 0.00 C ATOM 540 O GLY A 36 21.760 -9.077 10.021 1.00 0.00 O ATOM 0 H GLY A 36 17.959 -10.961 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.112 -11.655 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.487 -10.768 8.592 1.00 0.00 H new ATOM 544 N LEU A 37 20.098 -9.245 11.524 1.00 0.00 N ATOM 545 CA LEU A 37 20.425 -8.091 12.352 1.00 0.00 C ATOM 546 C LEU A 37 21.594 -8.453 13.279 1.00 0.00 C ATOM 547 O LEU A 37 21.452 -8.400 14.498 1.00 0.00 O ATOM 548 CB LEU A 37 19.102 -7.664 13.048 1.00 0.00 C ATOM 549 CG LEU A 37 18.856 -6.140 13.059 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.497 -5.783 12.447 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.915 -5.616 14.491 1.00 0.00 C ATOM 0 H LEU A 37 19.309 -9.775 11.894 1.00 0.00 H new ATOM 0 HA LEU A 37 20.786 -7.225 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.267 -8.152 12.546 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.112 -8.027 14.076 1.00 0.00 H new ATOM 0 HG LEU A 37 19.636 -5.675 12.456 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.359 -4.702 12.472 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.461 -6.129 11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.703 -6.263 13.019 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.741 -4.540 14.492 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.149 -6.108 15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.897 -5.825 14.915 1.00 0.00 H new ATOM 563 N GLU A 38 22.715 -8.880 12.682 1.00 0.00 N ATOM 564 CA GLU A 38 23.910 -9.500 13.264 1.00 0.00 C ATOM 565 C GLU A 38 23.570 -10.821 13.963 1.00 0.00 C ATOM 566 O GLU A 38 23.932 -11.896 13.482 1.00 0.00 O ATOM 567 CB GLU A 38 24.685 -8.508 14.147 1.00 0.00 C ATOM 568 CG GLU A 38 26.052 -9.077 14.558 1.00 0.00 C ATOM 569 CD GLU A 38 26.836 -8.122 15.473 1.00 0.00 C ATOM 570 OE1 GLU A 38 26.431 -7.950 16.648 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.883 -7.588 15.036 1.00 0.00 O ATOM 0 H GLU A 38 22.816 -8.789 11.671 1.00 0.00 H new ATOM 0 HA GLU A 38 24.591 -9.763 12.454 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.826 -7.571 13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.101 -8.278 15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.907 -10.028 15.070 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.640 -9.283 13.664 1.00 0.00 H new ATOM 578 N SER A 39 22.823 -10.725 15.058 1.00 0.00 N ATOM 579 CA SER A 39 22.429 -11.803 15.959 1.00 0.00 C ATOM 580 C SER A 39 21.125 -11.381 16.665 1.00 0.00 C ATOM 581 O SER A 39 20.981 -11.545 17.878 1.00 0.00 O ATOM 582 CB SER A 39 23.560 -12.108 16.970 1.00 0.00 C ATOM 583 OG SER A 39 24.825 -12.325 16.360 1.00 0.00 O ATOM 0 H SER A 39 22.450 -9.826 15.361 1.00 0.00 H new ATOM 0 HA SER A 39 22.254 -12.723 15.402 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.642 -11.278 17.672 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.289 -12.990 17.550 1.00 0.00 H new ATOM 0 HG SER A 39 25.494 -12.510 17.052 1.00 0.00 H new ATOM 589 N SER A 40 20.206 -10.761 15.908 1.00 0.00 N ATOM 590 CA SER A 40 18.923 -10.264 16.404 1.00 0.00 C ATOM 591 C SER A 40 19.071 -9.239 17.542 1.00 0.00 C ATOM 592 O SER A 40 18.401 -9.364 18.572 1.00 0.00 O ATOM 593 CB SER A 40 18.035 -11.458 16.783 1.00 0.00 C ATOM 594 OG SER A 40 17.903 -12.342 15.673 1.00 0.00 O ATOM 0 H SER A 40 20.342 -10.590 14.912 1.00 0.00 H new ATOM 0 HA SER A 40 18.435 -9.707 15.604 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.468 -11.989 17.631 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.052 -11.105 17.096 1.00 0.00 H new ATOM 0 HG SER A 40 17.337 -13.101 15.925 1.00 0.00 H new ATOM 600 N ARG A 41 19.932 -8.220 17.384 1.00 0.00 N ATOM 601 CA ARG A 41 19.990 -7.109 18.344 1.00 0.00 C ATOM 602 C ARG A 41 20.484 -5.825 17.691 1.00 0.00 C ATOM 603 O ARG A 41 21.367 -5.875 16.833 1.00 0.00 O ATOM 604 CB ARG A 41 20.831 -7.482 19.588 1.00 0.00 C ATOM 605 CG ARG A 41 22.360 -7.564 19.426 1.00 0.00 C ATOM 606 CD ARG A 41 22.854 -8.614 18.423 1.00 0.00 C ATOM 607 NE ARG A 41 24.322 -8.713 18.410 1.00 0.00 N ATOM 608 CZ ARG A 41 25.114 -9.387 19.252 1.00 0.00 C ATOM 609 NH1 ARG A 41 24.622 -10.086 20.276 1.00 0.00 N ATOM 610 NH2 ARG A 41 26.421 -9.346 19.032 1.00 0.00 N ATOM 0 H ARG A 41 20.590 -8.144 16.609 1.00 0.00 H new ATOM 0 HA ARG A 41 18.972 -6.920 18.686 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.616 -6.752 20.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.481 -8.448 19.951 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.730 -6.586 19.116 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.802 -7.778 20.399 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.427 -9.585 18.674 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.499 -8.358 17.425 1.00 0.00 H new ATOM 0 HE ARG A 41 24.796 -8.203 17.665 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.615 -10.117 20.435 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.253 -10.589 20.900 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.789 -8.814 18.243 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.058 -9.847 19.651 1.00 0.00 H new ATOM 624 N VAL A 42 19.923 -4.685 18.092 1.00 0.00 N ATOM 625 CA VAL A 42 20.335 -3.358 17.651 1.00 0.00 C ATOM 626 C VAL A 42 21.688 -2.987 18.259 1.00 0.00 C ATOM 627 O VAL A 42 22.250 -3.728 19.072 1.00 0.00 O ATOM 628 CB VAL A 42 19.221 -2.341 18.000 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.838 -2.810 17.514 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.144 -1.996 19.500 1.00 0.00 C ATOM 0 H VAL A 42 19.146 -4.661 18.753 1.00 0.00 H new ATOM 0 HA VAL A 42 20.472 -3.345 16.570 1.00 0.00 H new ATOM 0 HB VAL A 42 19.503 -1.433 17.468 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.087 -2.066 17.780 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.856 -2.936 16.431 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.590 -3.761 17.986 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.341 -1.278 19.668 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.946 -2.902 20.072 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.091 -1.563 19.823 1.00 0.00 H new ATOM 640 N HIS A 43 22.187 -1.807 17.887 1.00 0.00 N ATOM 641 CA HIS A 43 23.492 -1.324 18.298 1.00 0.00 C ATOM 642 C HIS A 43 23.372 0.173 18.611 1.00 0.00 C ATOM 643 O HIS A 43 23.016 0.940 17.717 1.00 0.00 O ATOM 644 CB HIS A 43 24.459 -1.639 17.152 1.00 0.00 C ATOM 645 CG HIS A 43 25.902 -1.554 17.571 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.826 -0.616 17.162 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.545 -2.414 18.420 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.997 -0.898 17.764 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.877 -2.000 18.526 1.00 0.00 N ATOM 0 H HIS A 43 21.684 -1.157 17.284 1.00 0.00 H new ATOM 0 HA HIS A 43 23.871 -1.802 19.202 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.253 -2.640 16.773 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.282 -0.944 16.331 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.102 -3.263 18.920 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.903 -0.322 17.651 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.613 -2.446 19.074 1.00 0.00 H new ATOM 657 N PRO A 44 23.655 0.627 19.845 1.00 0.00 N ATOM 658 CA PRO A 44 23.355 1.991 20.282 1.00 0.00 C ATOM 659 C PRO A 44 24.192 3.036 19.553 1.00 0.00 C ATOM 660 O PRO A 44 23.723 4.159 19.372 1.00 0.00 O ATOM 661 CB PRO A 44 23.637 2.013 21.789 1.00 0.00 C ATOM 662 CG PRO A 44 24.762 0.992 21.896 1.00 0.00 C ATOM 663 CD PRO A 44 24.267 -0.103 20.945 1.00 0.00 C ATOM 0 HA PRO A 44 22.320 2.247 20.055 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.943 3.000 22.136 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.764 1.726 22.375 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.722 1.404 21.584 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.888 0.625 22.915 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.088 -0.730 20.598 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.549 -0.761 21.435 1.00 0.00 H new ATOM 671 N THR A 45 25.394 2.688 19.079 1.00 0.00 N ATOM 672 CA THR A 45 26.199 3.640 18.330 1.00 0.00 C ATOM 673 C THR A 45 25.461 4.039 17.051 1.00 0.00 C ATOM 674 O THR A 45 25.494 5.205 16.666 1.00 0.00 O ATOM 675 CB THR A 45 27.604 3.073 18.041 1.00 0.00 C ATOM 676 OG1 THR A 45 28.152 2.575 19.252 1.00 0.00 O ATOM 677 CG2 THR A 45 28.538 4.124 17.422 1.00 0.00 C ATOM 0 H THR A 45 25.819 1.769 19.201 1.00 0.00 H new ATOM 0 HA THR A 45 26.347 4.538 18.930 1.00 0.00 H new ATOM 0 HB THR A 45 27.509 2.270 17.310 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.045 2.210 19.081 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.515 3.678 17.236 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.116 4.477 16.481 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.647 4.964 18.109 1.00 0.00 H new ATOM 685 N ALA A 46 24.723 3.104 16.424 1.00 0.00 N ATOM 686 CA ALA A 46 23.936 3.426 15.244 1.00 0.00 C ATOM 687 C ALA A 46 22.835 4.403 15.632 1.00 0.00 C ATOM 688 O ALA A 46 22.651 5.399 14.951 1.00 0.00 O ATOM 689 CB ALA A 46 23.382 2.155 14.580 1.00 0.00 C ATOM 0 H ALA A 46 24.663 2.130 16.721 1.00 0.00 H new ATOM 0 HA ALA A 46 24.573 3.903 14.499 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.798 2.429 13.701 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.209 1.511 14.281 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.745 1.623 15.287 1.00 0.00 H new ATOM 695 N ILE A 47 22.166 4.185 16.762 1.00 0.00 N ATOM 696 CA ILE A 47 21.106 5.081 17.228 1.00 0.00 C ATOM 697 C ILE A 47 21.678 6.480 17.429 1.00 0.00 C ATOM 698 O ILE A 47 21.098 7.423 16.906 1.00 0.00 O ATOM 699 CB ILE A 47 20.427 4.531 18.492 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.404 3.419 18.193 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.674 5.614 19.295 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.935 2.089 17.666 1.00 0.00 C ATOM 0 H ILE A 47 22.340 3.390 17.377 1.00 0.00 H new ATOM 0 HA ILE A 47 20.324 5.143 16.471 1.00 0.00 H new ATOM 0 HB ILE A 47 21.259 4.136 19.074 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.849 3.219 19.109 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.690 3.807 17.466 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.217 5.162 20.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.375 6.388 19.607 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.898 6.057 18.670 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.103 1.404 17.502 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.460 2.254 16.725 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.622 1.657 18.394 1.00 0.00 H new ATOM 714 N ALA A 48 22.820 6.636 18.105 1.00 0.00 N ATOM 715 CA ALA A 48 23.403 7.963 18.289 1.00 0.00 C ATOM 716 C ALA A 48 23.750 8.596 16.944 1.00 0.00 C ATOM 717 O ALA A 48 23.468 9.767 16.703 1.00 0.00 O ATOM 718 CB ALA A 48 24.648 7.892 19.166 1.00 0.00 C ATOM 0 H ALA A 48 23.350 5.873 18.526 1.00 0.00 H new ATOM 0 HA ALA A 48 22.660 8.586 18.787 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.064 8.892 19.289 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.383 7.487 20.143 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.389 7.246 18.695 1.00 0.00 H new ATOM 724 N MET A 49 24.323 7.801 16.046 1.00 0.00 N ATOM 725 CA MET A 49 24.655 8.217 14.695 1.00 0.00 C ATOM 726 C MET A 49 23.412 8.562 13.878 1.00 0.00 C ATOM 727 O MET A 49 23.547 9.238 12.864 1.00 0.00 O ATOM 728 CB MET A 49 25.483 7.122 14.018 1.00 0.00 C ATOM 729 CG MET A 49 26.890 7.041 14.594 1.00 0.00 C ATOM 730 SD MET A 49 28.015 8.276 13.899 1.00 0.00 S ATOM 731 CE MET A 49 28.152 9.336 15.345 1.00 0.00 C ATOM 0 H MET A 49 24.573 6.832 16.244 1.00 0.00 H new ATOM 0 HA MET A 49 25.246 9.131 14.750 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.984 6.161 14.140 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.539 7.318 12.947 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.841 7.171 15.675 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.295 6.046 14.410 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.932 10.079 15.179 1.00 0.00 H new ATOM 0 HE2 MET A 49 27.201 9.840 15.518 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.406 8.732 16.216 1.00 0.00 H new ATOM 741 N MET A 50 22.219 8.125 14.285 1.00 0.00 N ATOM 742 CA MET A 50 20.972 8.514 13.646 1.00 0.00 C ATOM 743 C MET A 50 20.338 9.691 14.363 1.00 0.00 C ATOM 744 O MET A 50 19.706 10.527 13.724 1.00 0.00 O ATOM 745 CB MET A 50 20.023 7.316 13.539 1.00 0.00 C ATOM 746 CG MET A 50 20.584 6.212 12.647 1.00 0.00 C ATOM 747 SD MET A 50 21.700 6.784 11.329 1.00 0.00 S ATOM 748 CE MET A 50 23.180 5.847 11.760 1.00 0.00 C ATOM 0 H MET A 50 22.096 7.488 15.072 1.00 0.00 H new ATOM 0 HA MET A 50 21.189 8.844 12.630 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.834 6.915 14.535 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.064 7.649 13.142 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.120 5.497 13.272 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.752 5.676 12.191 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.014 6.179 11.142 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.420 6.009 12.811 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.002 4.786 11.588 1.00 0.00 H new ATOM 758 N GLU A 51 20.588 9.835 15.656 1.00 0.00 N ATOM 759 CA GLU A 51 20.184 10.989 16.425 1.00 0.00 C ATOM 760 C GLU A 51 20.898 12.243 15.892 1.00 0.00 C ATOM 761 O GLU A 51 20.307 13.322 15.873 1.00 0.00 O ATOM 762 CB GLU A 51 20.451 10.685 17.909 1.00 0.00 C ATOM 763 CG GLU A 51 19.806 11.722 18.833 1.00 0.00 C ATOM 764 CD GLU A 51 20.032 11.367 20.313 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.105 11.712 20.865 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.134 10.755 20.941 1.00 0.00 O ATOM 0 H GLU A 51 21.088 9.136 16.205 1.00 0.00 H new ATOM 0 HA GLU A 51 19.119 11.200 16.325 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.066 9.695 18.151 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.526 10.661 18.086 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.223 12.707 18.625 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.737 11.779 18.629 1.00 0.00 H new ATOM 773 N GLU A 52 22.112 12.089 15.344 1.00 0.00 N ATOM 774 CA GLU A 52 22.831 13.135 14.607 1.00 0.00 C ATOM 775 C GLU A 52 22.043 13.670 13.390 1.00 0.00 C ATOM 776 O GLU A 52 22.323 14.776 12.921 1.00 0.00 O ATOM 777 CB GLU A 52 24.187 12.628 14.086 1.00 0.00 C ATOM 778 CG GLU A 52 25.260 12.302 15.136 1.00 0.00 C ATOM 779 CD GLU A 52 26.673 12.356 14.534 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.865 11.974 13.353 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.609 12.771 15.253 1.00 0.00 O ATOM 0 H GLU A 52 22.632 11.213 15.403 1.00 0.00 H new ATOM 0 HA GLU A 52 22.968 13.940 15.329 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.008 11.730 13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.593 13.380 13.409 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.188 13.009 15.962 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.077 11.310 15.549 1.00 0.00 H new ATOM 788 N VAL A 53 21.075 12.907 12.874 1.00 0.00 N ATOM 789 CA VAL A 53 20.268 13.245 11.695 1.00 0.00 C ATOM 790 C VAL A 53 18.768 13.277 12.061 1.00 0.00 C ATOM 791 O VAL A 53 17.908 13.454 11.196 1.00 0.00 O ATOM 792 CB VAL A 53 20.706 12.346 10.502 1.00 0.00 C ATOM 793 CG1 VAL A 53 20.675 10.836 10.774 1.00 0.00 C ATOM 794 CG2 VAL A 53 19.995 12.634 9.172 1.00 0.00 C ATOM 0 H VAL A 53 20.822 12.006 13.279 1.00 0.00 H new ATOM 0 HA VAL A 53 20.449 14.260 11.342 1.00 0.00 H new ATOM 0 HB VAL A 53 21.749 12.645 10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.997 10.299 9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.346 10.601 11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.660 10.534 11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.369 11.956 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.922 12.487 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.188 13.664 8.872 1.00 0.00 H new ATOM 804 N GLY A 54 18.440 13.192 13.357 1.00 0.00 N ATOM 805 CA GLY A 54 17.073 13.257 13.853 1.00 0.00 C ATOM 806 C GLY A 54 16.260 12.026 13.443 1.00 0.00 C ATOM 807 O GLY A 54 15.071 12.148 13.134 1.00 0.00 O ATOM 0 H GLY A 54 19.133 13.074 14.096 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.084 13.340 14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.590 14.156 13.470 1.00 0.00 H new ATOM 811 N ILE A 55 16.893 10.851 13.426 1.00 0.00 N ATOM 812 CA ILE A 55 16.298 9.558 13.119 1.00 0.00 C ATOM 813 C ILE A 55 16.543 8.671 14.351 1.00 0.00 C ATOM 814 O ILE A 55 17.465 8.910 15.133 1.00 0.00 O ATOM 815 CB ILE A 55 16.823 8.998 11.770 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.491 10.044 10.683 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.197 7.620 11.435 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.830 9.577 9.282 1.00 0.00 C ATOM 0 H ILE A 55 17.888 10.777 13.638 1.00 0.00 H new ATOM 0 HA ILE A 55 15.223 9.617 12.949 1.00 0.00 H new ATOM 0 HB ILE A 55 17.899 8.831 11.827 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.429 10.285 10.732 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.036 10.964 10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.591 7.263 10.483 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.446 6.907 12.221 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.114 7.720 11.365 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.573 10.358 8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.897 9.363 9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.265 8.674 9.053 1.00 0.00 H new ATOM 830 N ASP A 56 15.737 7.627 14.516 1.00 0.00 N ATOM 831 CA ASP A 56 15.930 6.596 15.537 1.00 0.00 C ATOM 832 C ASP A 56 15.587 5.263 14.897 1.00 0.00 C ATOM 833 O ASP A 56 14.700 5.205 14.045 1.00 0.00 O ATOM 834 CB ASP A 56 15.048 6.852 16.768 1.00 0.00 C ATOM 835 CG ASP A 56 15.076 5.663 17.752 1.00 0.00 C ATOM 836 OD1 ASP A 56 16.151 5.043 17.930 1.00 0.00 O ATOM 837 OD2 ASP A 56 14.009 5.331 18.321 1.00 0.00 O ATOM 0 H ASP A 56 14.915 7.468 13.934 1.00 0.00 H new ATOM 0 HA ASP A 56 16.962 6.604 15.889 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.388 7.753 17.278 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.022 7.035 16.448 1.00 0.00 H new ATOM 842 N ILE A 57 16.298 4.208 15.283 1.00 0.00 N ATOM 843 CA ILE A 57 16.219 2.872 14.732 1.00 0.00 C ATOM 844 C ILE A 57 16.274 1.812 15.845 1.00 0.00 C ATOM 845 O ILE A 57 16.334 0.617 15.553 1.00 0.00 O ATOM 846 CB ILE A 57 17.288 2.701 13.626 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.735 2.833 14.148 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.067 3.700 12.471 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.804 2.681 13.058 1.00 0.00 C ATOM 0 H ILE A 57 16.984 4.274 16.035 1.00 0.00 H new ATOM 0 HA ILE A 57 15.253 2.719 14.250 1.00 0.00 H new ATOM 0 HB ILE A 57 17.163 1.682 13.259 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.852 3.806 14.625 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.904 2.079 14.917 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.835 3.553 11.711 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.084 3.535 12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.126 4.719 12.855 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.794 2.786 13.502 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.716 1.697 12.597 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.663 3.451 12.300 1.00 0.00 H new ATOM 861 N SER A 58 16.224 2.221 17.117 1.00 0.00 N ATOM 862 CA SER A 58 16.112 1.307 18.240 1.00 0.00 C ATOM 863 C SER A 58 14.776 0.574 18.162 1.00 0.00 C ATOM 864 O SER A 58 13.771 1.131 17.712 1.00 0.00 O ATOM 865 CB SER A 58 16.230 2.074 19.560 1.00 0.00 C ATOM 866 OG SER A 58 16.603 1.189 20.606 1.00 0.00 O ATOM 0 H SER A 58 16.261 3.203 17.390 1.00 0.00 H new ATOM 0 HA SER A 58 16.921 0.578 18.198 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.970 2.868 19.463 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.280 2.552 19.798 1.00 0.00 H new ATOM 0 HG SER A 58 16.678 1.688 21.446 1.00 0.00 H new ATOM 872 N GLY A 59 14.772 -0.689 18.592 1.00 0.00 N ATOM 873 CA GLY A 59 13.585 -1.531 18.628 1.00 0.00 C ATOM 874 C GLY A 59 12.961 -1.809 17.259 1.00 0.00 C ATOM 875 O GLY A 59 11.912 -2.454 17.226 1.00 0.00 O ATOM 0 H GLY A 59 15.611 -1.160 18.930 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.844 -2.481 19.095 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.838 -1.056 19.264 1.00 0.00 H new ATOM 879 N GLN A 60 13.559 -1.343 16.143 1.00 0.00 N ATOM 880 CA GLN A 60 12.989 -1.531 14.809 1.00 0.00 C ATOM 881 C GLN A 60 12.714 -2.998 14.523 1.00 0.00 C ATOM 882 O GLN A 60 11.581 -3.400 14.254 1.00 0.00 O ATOM 883 CB GLN A 60 13.943 -0.971 13.732 1.00 0.00 C ATOM 884 CG GLN A 60 13.395 0.387 13.293 1.00 0.00 C ATOM 885 CD GLN A 60 14.215 1.133 12.249 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.109 2.349 12.185 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.021 0.495 11.427 1.00 0.00 N ATOM 0 H GLN A 60 14.442 -0.832 16.149 1.00 0.00 H new ATOM 0 HA GLN A 60 12.044 -0.989 14.779 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.952 -0.866 14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.005 -1.652 12.883 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.389 0.240 12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.303 1.021 14.175 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.107 -0.520 11.483 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.559 1.015 10.734 1.00 0.00 H new ATOM 896 N THR A 61 13.782 -3.774 14.598 1.00 0.00 N ATOM 897 CA THR A 61 13.852 -5.147 14.168 1.00 0.00 C ATOM 898 C THR A 61 14.965 -5.812 14.977 1.00 0.00 C ATOM 899 O THR A 61 15.891 -5.128 15.423 1.00 0.00 O ATOM 900 CB THR A 61 14.077 -5.190 12.637 1.00 0.00 C ATOM 901 OG1 THR A 61 14.885 -4.091 12.214 1.00 0.00 O ATOM 902 CG2 THR A 61 12.754 -5.149 11.865 1.00 0.00 C ATOM 0 H THR A 61 14.666 -3.439 14.981 1.00 0.00 H new ATOM 0 HA THR A 61 12.928 -5.696 14.348 1.00 0.00 H new ATOM 0 HB THR A 61 14.583 -6.131 12.421 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.393 -3.558 11.555 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.956 -5.181 10.794 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.143 -6.007 12.145 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.220 -4.230 12.106 1.00 0.00 H new ATOM 910 N SER A 62 14.860 -7.126 15.146 1.00 0.00 N ATOM 911 CA SER A 62 15.770 -8.020 15.851 1.00 0.00 C ATOM 912 C SER A 62 15.344 -9.398 15.335 1.00 0.00 C ATOM 913 O SER A 62 14.744 -10.188 16.067 1.00 0.00 O ATOM 914 CB SER A 62 15.586 -7.887 17.376 1.00 0.00 C ATOM 915 OG SER A 62 16.211 -6.715 17.877 1.00 0.00 O ATOM 0 H SER A 62 14.066 -7.636 14.759 1.00 0.00 H new ATOM 0 HA SER A 62 16.826 -7.813 15.677 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.523 -7.863 17.614 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.004 -8.763 17.871 1.00 0.00 H new ATOM 0 HG SER A 62 16.328 -6.070 17.149 1.00 0.00 H new ATOM 921 N ASP A 63 15.593 -9.661 14.042 1.00 0.00 N ATOM 922 CA ASP A 63 15.003 -10.818 13.367 1.00 0.00 C ATOM 923 C ASP A 63 15.975 -11.468 12.376 1.00 0.00 C ATOM 924 O ASP A 63 16.679 -10.746 11.662 1.00 0.00 O ATOM 925 CB ASP A 63 13.767 -10.319 12.603 1.00 0.00 C ATOM 926 CG ASP A 63 12.665 -9.761 13.518 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.690 -8.537 13.811 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.777 -10.543 13.941 1.00 0.00 O ATOM 0 H ASP A 63 16.196 -9.089 13.450 1.00 0.00 H new ATOM 0 HA ASP A 63 14.749 -11.572 14.112 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.072 -9.543 11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.358 -11.140 12.014 1.00 0.00 H new ATOM 933 N PRO A 64 16.002 -12.812 12.269 1.00 0.00 N ATOM 934 CA PRO A 64 16.783 -13.525 11.263 1.00 0.00 C ATOM 935 C PRO A 64 16.037 -13.589 9.920 1.00 0.00 C ATOM 936 O PRO A 64 14.810 -13.469 9.864 1.00 0.00 O ATOM 937 CB PRO A 64 16.997 -14.920 11.862 1.00 0.00 C ATOM 938 CG PRO A 64 15.729 -15.163 12.675 1.00 0.00 C ATOM 939 CD PRO A 64 15.344 -13.765 13.161 1.00 0.00 C ATOM 0 HA PRO A 64 17.728 -13.028 11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.125 -15.674 11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.888 -14.954 12.489 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.941 -15.608 12.067 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.910 -15.842 13.508 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.262 -13.632 13.139 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.663 -13.613 14.192 1.00 0.00 H new ATOM 947 N ILE A 65 16.782 -13.833 8.835 1.00 0.00 N ATOM 948 CA ILE A 65 16.260 -13.893 7.467 1.00 0.00 C ATOM 949 C ILE A 65 15.268 -15.040 7.289 1.00 0.00 C ATOM 950 O ILE A 65 14.264 -14.890 6.603 1.00 0.00 O ATOM 951 CB ILE A 65 17.447 -13.964 6.465 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.968 -13.835 5.001 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.316 -15.230 6.652 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.099 -13.755 3.967 1.00 0.00 C ATOM 0 H ILE A 65 17.787 -13.998 8.887 1.00 0.00 H new ATOM 0 HA ILE A 65 15.695 -12.984 7.260 1.00 0.00 H new ATOM 0 HB ILE A 65 18.082 -13.108 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.334 -14.689 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.348 -12.943 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.128 -15.224 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.731 -15.241 7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.702 -16.118 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.673 -13.666 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.721 -12.884 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.708 -14.658 4.023 1.00 0.00 H new ATOM 966 N GLU A 66 15.528 -16.169 7.944 1.00 0.00 N ATOM 967 CA GLU A 66 14.754 -17.390 7.770 1.00 0.00 C ATOM 968 C GLU A 66 13.347 -17.273 8.368 1.00 0.00 C ATOM 969 O GLU A 66 12.452 -18.027 7.974 1.00 0.00 O ATOM 970 CB GLU A 66 15.532 -18.562 8.389 1.00 0.00 C ATOM 971 CG GLU A 66 16.704 -19.014 7.507 1.00 0.00 C ATOM 972 CD GLU A 66 17.423 -20.236 8.106 1.00 0.00 C ATOM 973 OE1 GLU A 66 18.378 -20.056 8.901 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.044 -21.389 7.781 1.00 0.00 O ATOM 0 H GLU A 66 16.290 -16.260 8.616 1.00 0.00 H new ATOM 0 HA GLU A 66 14.614 -17.568 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.910 -18.268 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.855 -19.401 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.337 -19.259 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.412 -18.194 7.393 1.00 0.00 H new ATOM 981 N ASN A 67 13.130 -16.322 9.287 1.00 0.00 N ATOM 982 CA ASN A 67 11.794 -15.997 9.767 1.00 0.00 C ATOM 983 C ASN A 67 10.959 -15.292 8.684 1.00 0.00 C ATOM 984 O ASN A 67 9.728 -15.351 8.751 1.00 0.00 O ATOM 985 CB ASN A 67 11.843 -15.190 11.085 1.00 0.00 C ATOM 986 CG ASN A 67 11.249 -13.793 10.968 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.080 -13.561 11.267 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.054 -12.850 10.523 1.00 0.00 N ATOM 0 H ASN A 67 13.872 -15.765 9.711 1.00 0.00 H new ATOM 0 HA ASN A 67 11.290 -16.937 9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.306 -15.740 11.858 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.879 -15.109 11.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.712 -11.895 10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.020 -13.075 10.283 1.00 0.00 H new ATOM 995 N PHE A 68 11.593 -14.636 7.701 1.00 0.00 N ATOM 996 CA PHE A 68 10.912 -13.843 6.691 1.00 0.00 C ATOM 997 C PHE A 68 10.767 -14.624 5.383 1.00 0.00 C ATOM 998 O PHE A 68 11.324 -15.710 5.202 1.00 0.00 O ATOM 999 CB PHE A 68 11.620 -12.490 6.500 1.00 0.00 C ATOM 1000 CG PHE A 68 11.455 -11.522 7.660 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.171 -11.129 8.086 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.584 -10.991 8.308 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.017 -10.200 9.131 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.428 -10.045 9.341 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.147 -9.650 9.753 1.00 0.00 C ATOM 0 H PHE A 68 12.607 -14.647 7.592 1.00 0.00 H new ATOM 0 HA PHE A 68 9.900 -13.629 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.683 -12.670 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.238 -12.020 5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.297 -11.545 7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.573 -11.309 8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.028 -9.910 9.454 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.300 -9.622 9.818 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.031 -8.926 10.546 1.00 0.00 H new ATOM 1015 N ASN A 69 9.970 -14.062 4.472 1.00 0.00 N ATOM 1016 CA ASN A 69 9.508 -14.677 3.251 1.00 0.00 C ATOM 1017 C ASN A 69 9.520 -13.536 2.253 1.00 0.00 C ATOM 1018 O ASN A 69 8.569 -12.758 2.229 1.00 0.00 O ATOM 1019 CB ASN A 69 8.094 -15.211 3.527 1.00 0.00 C ATOM 1020 CG ASN A 69 7.359 -15.686 2.289 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.226 -16.874 2.008 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.780 -14.730 1.609 1.00 0.00 N ATOM 0 H ASN A 69 9.616 -13.112 4.584 1.00 0.00 H new ATOM 0 HA ASN A 69 10.103 -15.512 2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.161 -16.036 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.508 -14.426 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.190 -14.959 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.919 -13.756 1.879 1.00 0.00 H new ATOM 1029 N ALA A 70 10.625 -13.322 1.533 1.00 0.00 N ATOM 1030 CA ALA A 70 10.708 -12.255 0.554 1.00 0.00 C ATOM 1031 C ALA A 70 9.595 -12.287 -0.484 1.00 0.00 C ATOM 1032 O ALA A 70 9.308 -11.253 -1.080 1.00 0.00 O ATOM 1033 CB ALA A 70 12.003 -12.345 -0.209 1.00 0.00 C ATOM 0 H ALA A 70 11.474 -13.881 1.617 1.00 0.00 H new ATOM 0 HA ALA A 70 10.627 -11.335 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.051 -11.538 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.840 -12.258 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.056 -13.304 -0.724 1.00 0.00 H new ATOM 1039 N ASP A 71 8.979 -13.444 -0.703 1.00 0.00 N ATOM 1040 CA ASP A 71 7.787 -13.562 -1.530 1.00 0.00 C ATOM 1041 C ASP A 71 6.685 -12.587 -1.067 1.00 0.00 C ATOM 1042 O ASP A 71 5.827 -12.195 -1.862 1.00 0.00 O ATOM 1043 CB ASP A 71 7.310 -15.024 -1.601 1.00 0.00 C ATOM 1044 CG ASP A 71 5.783 -15.147 -1.702 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.123 -15.168 -0.636 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.253 -15.262 -2.832 1.00 0.00 O ATOM 0 H ASP A 71 9.296 -14.330 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 71 8.041 -13.269 -2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.767 -15.509 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.655 -15.558 -0.715 1.00 0.00 H new ATOM 1051 N ASP A 72 6.764 -12.133 0.184 1.00 0.00 N ATOM 1052 CA ASP A 72 5.856 -11.203 0.833 1.00 0.00 C ATOM 1053 C ASP A 72 6.517 -9.836 1.113 1.00 0.00 C ATOM 1054 O ASP A 72 5.991 -9.055 1.903 1.00 0.00 O ATOM 1055 CB ASP A 72 5.283 -11.863 2.096 1.00 0.00 C ATOM 1056 CG ASP A 72 4.117 -11.055 2.691 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.123 -10.796 1.971 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.162 -10.730 3.902 1.00 0.00 O ATOM 0 H ASP A 72 7.516 -12.428 0.807 1.00 0.00 H new ATOM 0 HA ASP A 72 5.031 -10.979 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.941 -12.870 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.072 -11.964 2.842 1.00 0.00 H new ATOM 1063 N TYR A 73 7.650 -9.502 0.469 1.00 0.00 N ATOM 1064 CA TYR A 73 8.235 -8.169 0.500 1.00 0.00 C ATOM 1065 C TYR A 73 8.587 -7.784 -0.925 1.00 0.00 C ATOM 1066 O TYR A 73 9.543 -8.319 -1.481 1.00 0.00 O ATOM 1067 CB TYR A 73 9.438 -8.030 1.437 1.00 0.00 C ATOM 1068 CG TYR A 73 9.133 -8.416 2.867 1.00 0.00 C ATOM 1069 CD1 TYR A 73 9.000 -9.773 3.178 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.875 -7.445 3.846 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.520 -10.187 4.427 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.426 -7.844 5.122 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.219 -9.217 5.410 1.00 0.00 C ATOM 1074 OH TYR A 73 7.696 -9.610 6.605 1.00 0.00 O ATOM 0 H TYR A 73 8.184 -10.166 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 73 7.497 -7.484 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.252 -8.653 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.790 -6.999 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.272 -10.515 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.019 -6.398 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.381 -11.237 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.239 -7.101 5.883 1.00 0.00 H new ATOM 0 HH TYR A 73 8.413 -9.953 7.179 1.00 0.00 H new ATOM 1084 N ASP A 74 7.819 -6.858 -1.506 1.00 0.00 N ATOM 1085 CA ASP A 74 7.867 -6.531 -2.933 1.00 0.00 C ATOM 1086 C ASP A 74 9.232 -6.058 -3.420 1.00 0.00 C ATOM 1087 O ASP A 74 9.460 -6.031 -4.624 1.00 0.00 O ATOM 1088 CB ASP A 74 6.860 -5.421 -3.270 1.00 0.00 C ATOM 1089 CG ASP A 74 5.436 -5.726 -2.790 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.142 -5.402 -1.615 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.626 -6.270 -3.578 1.00 0.00 O ATOM 0 H ASP A 74 7.135 -6.306 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 74 7.627 -7.468 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.195 -4.487 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.847 -5.268 -4.349 1.00 0.00 H new ATOM 1096 N VAL A 75 10.124 -5.617 -2.538 1.00 0.00 N ATOM 1097 CA VAL A 75 11.378 -4.962 -2.896 1.00 0.00 C ATOM 1098 C VAL A 75 12.412 -5.450 -1.871 1.00 0.00 C ATOM 1099 O VAL A 75 12.217 -5.302 -0.665 1.00 0.00 O ATOM 1100 CB VAL A 75 11.092 -3.449 -2.919 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.268 -2.467 -2.812 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.202 -2.993 -4.087 1.00 0.00 C ATOM 0 H VAL A 75 9.992 -5.707 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 75 11.785 -5.198 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 75 10.566 -3.383 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.892 -1.444 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.795 -2.631 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.953 -2.628 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.050 -1.915 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.686 -3.241 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.238 -3.499 -4.029 1.00 0.00 H new ATOM 1112 N VAL A 76 13.518 -6.043 -2.313 1.00 0.00 N ATOM 1113 CA VAL A 76 14.540 -6.580 -1.445 1.00 0.00 C ATOM 1114 C VAL A 76 15.804 -5.810 -1.739 1.00 0.00 C ATOM 1115 O VAL A 76 16.187 -5.665 -2.901 1.00 0.00 O ATOM 1116 CB VAL A 76 14.731 -8.076 -1.762 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.088 -8.622 -1.282 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.599 -8.903 -1.139 1.00 0.00 C ATOM 0 H VAL A 76 13.725 -6.162 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 76 14.273 -6.487 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 76 14.708 -8.167 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.164 -9.680 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.894 -8.074 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.168 -8.499 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.748 -9.957 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.601 -8.766 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.642 -8.574 -1.544 1.00 0.00 H new ATOM 1128 N ILE A 77 16.471 -5.407 -0.666 1.00 0.00 N ATOM 1129 CA ILE A 77 17.722 -4.701 -0.674 1.00 0.00 C ATOM 1130 C ILE A 77 18.588 -5.441 0.329 1.00 0.00 C ATOM 1131 O ILE A 77 18.577 -5.157 1.526 1.00 0.00 O ATOM 1132 CB ILE A 77 17.491 -3.232 -0.294 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.440 -2.516 -1.167 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.826 -2.488 -0.346 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.763 -2.451 -2.667 1.00 0.00 C ATOM 0 H ILE A 77 16.126 -5.579 0.278 1.00 0.00 H new ATOM 0 HA ILE A 77 18.204 -4.678 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 77 17.083 -3.224 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.482 -3.021 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.316 -1.499 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.671 -1.443 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.524 -2.944 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.236 -2.546 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.962 -1.928 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.701 -1.916 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.855 -3.462 -3.063 1.00 0.00 H new ATOM 1147 N SER A 78 19.289 -6.470 -0.121 1.00 0.00 N ATOM 1148 CA SER A 78 20.295 -7.069 0.730 1.00 0.00 C ATOM 1149 C SER A 78 21.452 -6.064 0.909 1.00 0.00 C ATOM 1150 O SER A 78 21.526 -5.057 0.206 1.00 0.00 O ATOM 1151 CB SER A 78 20.596 -8.460 0.165 1.00 0.00 C ATOM 1152 OG SER A 78 21.684 -9.086 0.802 1.00 0.00 O ATOM 0 H SER A 78 19.183 -6.895 -1.042 1.00 0.00 H new ATOM 0 HA SER A 78 19.988 -7.261 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.711 -9.088 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.805 -8.376 -0.901 1.00 0.00 H new ATOM 0 HG SER A 78 22.523 -8.718 0.454 1.00 0.00 H new ATOM 1158 N LEU A 79 22.340 -6.292 1.876 1.00 0.00 N ATOM 1159 CA LEU A 79 23.594 -5.564 2.057 1.00 0.00 C ATOM 1160 C LEU A 79 24.585 -6.598 2.563 1.00 0.00 C ATOM 1161 O LEU A 79 25.175 -6.450 3.634 1.00 0.00 O ATOM 1162 CB LEU A 79 23.520 -4.351 3.014 1.00 0.00 C ATOM 1163 CG LEU A 79 22.706 -3.152 2.506 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.231 -3.157 2.902 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.295 -1.825 3.009 1.00 0.00 C ATOM 0 H LEU A 79 22.200 -7.016 2.581 1.00 0.00 H new ATOM 0 HA LEU A 79 23.884 -5.112 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.092 -4.683 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.535 -4.015 3.224 1.00 0.00 H new ATOM 0 HG LEU A 79 22.768 -3.246 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.742 -2.271 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.750 -4.051 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.146 -3.153 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.697 -0.995 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.287 -1.813 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.320 -1.724 2.653 1.00 0.00 H new ATOM 1177 N CYS A 80 24.701 -7.702 1.830 1.00 0.00 N ATOM 1178 CA CYS A 80 25.540 -8.839 2.191 1.00 0.00 C ATOM 1179 C CYS A 80 26.698 -8.993 1.195 1.00 0.00 C ATOM 1180 O CYS A 80 27.343 -10.039 1.150 1.00 0.00 O ATOM 1181 CB CYS A 80 24.683 -10.108 2.337 1.00 0.00 C ATOM 1182 SG CYS A 80 23.285 -9.840 3.471 1.00 0.00 S ATOM 0 H CYS A 80 24.203 -7.833 0.949 1.00 0.00 H new ATOM 0 HA CYS A 80 25.999 -8.662 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.307 -10.409 1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.302 -10.926 2.707 1.00 0.00 H new ATOM 0 HG CYS A 80 22.247 -9.446 2.795 1.00 0.00 H new ATOM 1188 N GLY A 81 26.969 -7.954 0.395 1.00 0.00 N ATOM 1189 CA GLY A 81 28.132 -7.900 -0.489 1.00 0.00 C ATOM 1190 C GLY A 81 27.823 -8.485 -1.861 1.00 0.00 C ATOM 1191 O GLY A 81 28.733 -8.948 -2.550 1.00 0.00 O ATOM 0 H GLY A 81 26.380 -7.122 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.458 -6.866 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.959 -8.448 -0.037 1.00 0.00 H new ATOM 1195 N CYS A 82 26.542 -8.474 -2.245 1.00 0.00 N ATOM 1196 CA CYS A 82 26.001 -9.052 -3.477 1.00 0.00 C ATOM 1197 C CYS A 82 26.568 -10.458 -3.763 1.00 0.00 C ATOM 1198 O CYS A 82 26.933 -10.776 -4.899 1.00 0.00 O ATOM 1199 CB CYS A 82 26.183 -8.035 -4.616 1.00 0.00 C ATOM 1200 SG CYS A 82 25.067 -8.390 -6.007 1.00 0.00 S ATOM 0 H CYS A 82 25.818 -8.038 -1.674 1.00 0.00 H new ATOM 0 HA CYS A 82 24.931 -9.233 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.992 -7.029 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.216 -8.055 -4.962 1.00 0.00 H new ATOM 0 HG CYS A 82 25.250 -7.509 -6.946 1.00 0.00 H new ATOM 1206 N GLY A 83 26.673 -11.296 -2.724 1.00 0.00 N ATOM 1207 CA GLY A 83 27.360 -12.584 -2.792 1.00 0.00 C ATOM 1208 C GLY A 83 26.784 -13.592 -1.803 1.00 0.00 C ATOM 1209 O GLY A 83 27.537 -14.356 -1.197 1.00 0.00 O ATOM 0 H GLY A 83 26.278 -11.093 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.282 -12.983 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.421 -12.440 -2.587 1.00 0.00 H new ATOM 1213 N VAL A 84 25.457 -13.584 -1.617 1.00 0.00 N ATOM 1214 CA VAL A 84 24.736 -14.497 -0.741 1.00 0.00 C ATOM 1215 C VAL A 84 23.730 -15.281 -1.577 1.00 0.00 C ATOM 1216 O VAL A 84 23.103 -14.737 -2.488 1.00 0.00 O ATOM 1217 CB VAL A 84 24.115 -13.727 0.441 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.268 -14.606 1.377 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.263 -13.112 1.246 1.00 0.00 C ATOM 0 H VAL A 84 24.844 -12.920 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 84 25.409 -15.224 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 84 23.440 -12.977 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.864 -13.994 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.448 -15.051 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.891 -15.396 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 84 24.858 -12.558 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.917 -13.904 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.832 -12.435 0.609 1.00 0.00 H new ATOM 1229 N ASN A 85 23.572 -16.568 -1.253 1.00 0.00 N ATOM 1230 CA ASN A 85 22.686 -17.496 -1.951 1.00 0.00 C ATOM 1231 C ASN A 85 21.245 -17.333 -1.446 1.00 0.00 C ATOM 1232 O ASN A 85 20.645 -18.262 -0.900 1.00 0.00 O ATOM 1233 CB ASN A 85 23.226 -18.931 -1.802 1.00 0.00 C ATOM 1234 CG ASN A 85 22.622 -19.838 -2.865 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.780 -20.694 -2.597 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.053 -19.664 -4.108 1.00 0.00 N ATOM 0 H ASN A 85 24.072 -17.002 -0.477 1.00 0.00 H new ATOM 0 HA ASN A 85 22.664 -17.272 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.312 -18.929 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.989 -19.315 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.686 -20.245 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.752 -18.949 -4.310 1.00 0.00 H new ATOM 1243 N LEU A 86 20.729 -16.101 -1.530 1.00 0.00 N ATOM 1244 CA LEU A 86 19.377 -15.748 -1.100 1.00 0.00 C ATOM 1245 C LEU A 86 18.385 -16.644 -1.871 1.00 0.00 C ATOM 1246 O LEU A 86 18.562 -16.799 -3.087 1.00 0.00 O ATOM 1247 CB LEU A 86 19.092 -14.255 -1.366 1.00 0.00 C ATOM 1248 CG LEU A 86 20.053 -13.268 -0.671 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.838 -11.850 -1.202 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.893 -13.245 0.851 1.00 0.00 C ATOM 0 H LEU A 86 21.251 -15.310 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 86 19.269 -15.910 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.132 -14.080 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.074 -14.033 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 86 21.059 -13.619 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.524 -11.166 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.026 -11.831 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.811 -11.541 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.597 -12.532 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.875 -12.949 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.093 -14.238 1.253 1.00 0.00 H new ATOM 1262 N PRO A 87 17.379 -17.258 -1.209 1.00 0.00 N ATOM 1263 CA PRO A 87 16.414 -18.129 -1.874 1.00 0.00 C ATOM 1264 C PRO A 87 15.716 -17.447 -3.057 1.00 0.00 C ATOM 1265 O PRO A 87 15.552 -16.228 -3.031 1.00 0.00 O ATOM 1266 CB PRO A 87 15.390 -18.520 -0.811 1.00 0.00 C ATOM 1267 CG PRO A 87 16.131 -18.347 0.516 1.00 0.00 C ATOM 1268 CD PRO A 87 17.172 -17.264 0.232 1.00 0.00 C ATOM 0 HA PRO A 87 16.927 -18.995 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.506 -17.884 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.051 -19.547 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.452 -18.046 1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.602 -19.278 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.824 -16.291 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.104 -17.474 0.757 1.00 0.00 H new ATOM 1276 N PRO A 88 15.218 -18.195 -4.058 1.00 0.00 N ATOM 1277 CA PRO A 88 14.687 -17.613 -5.285 1.00 0.00 C ATOM 1278 C PRO A 88 13.580 -16.566 -5.114 1.00 0.00 C ATOM 1279 O PRO A 88 13.458 -15.666 -5.941 1.00 0.00 O ATOM 1280 CB PRO A 88 14.196 -18.793 -6.126 1.00 0.00 C ATOM 1281 CG PRO A 88 15.077 -19.950 -5.667 1.00 0.00 C ATOM 1282 CD PRO A 88 15.302 -19.645 -4.186 1.00 0.00 C ATOM 0 HA PRO A 88 15.484 -17.040 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.140 -18.999 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.310 -18.600 -7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.586 -20.913 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.016 -19.986 -6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.550 -20.136 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 88 16.274 -20.010 -3.856 1.00 0.00 H new ATOM 1290 N GLU A 89 12.787 -16.634 -4.040 1.00 0.00 N ATOM 1291 CA GLU A 89 11.710 -15.685 -3.794 1.00 0.00 C ATOM 1292 C GLU A 89 12.255 -14.279 -3.548 1.00 0.00 C ATOM 1293 O GLU A 89 11.587 -13.286 -3.815 1.00 0.00 O ATOM 1294 CB GLU A 89 10.847 -16.156 -2.620 1.00 0.00 C ATOM 1295 CG GLU A 89 11.600 -16.469 -1.321 1.00 0.00 C ATOM 1296 CD GLU A 89 10.611 -16.848 -0.206 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.040 -15.921 0.411 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.426 -18.063 0.051 1.00 0.00 O ATOM 0 H GLU A 89 12.878 -17.351 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 89 11.084 -15.639 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.102 -15.388 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.305 -17.050 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.301 -17.287 -1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.187 -15.603 -1.016 1.00 0.00 H new ATOM 1305 N TRP A 90 13.494 -14.171 -3.081 1.00 0.00 N ATOM 1306 CA TRP A 90 14.164 -12.899 -2.889 1.00 0.00 C ATOM 1307 C TRP A 90 14.474 -12.183 -4.213 1.00 0.00 C ATOM 1308 O TRP A 90 14.853 -11.015 -4.175 1.00 0.00 O ATOM 1309 CB TRP A 90 15.419 -13.105 -2.017 1.00 0.00 C ATOM 1310 CG TRP A 90 15.175 -13.521 -0.584 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.797 -14.743 -0.143 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.204 -12.699 0.621 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.564 -14.713 1.223 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.736 -13.449 1.733 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.456 -11.342 0.851 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.501 -12.866 2.988 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.248 -10.725 2.095 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.761 -11.493 3.171 1.00 0.00 C ATOM 0 H TRP A 90 14.064 -14.976 -2.823 1.00 0.00 H new ATOM 0 HA TRP A 90 13.484 -12.230 -2.363 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.045 -13.861 -2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.989 -12.176 -2.012 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.692 -15.618 -0.767 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.299 -15.526 1.779 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.828 -10.741 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.125 -13.464 3.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.459 -9.674 2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.588 -11.032 4.132 1.00 0.00 H new ATOM 1329 N VAL A 91 14.281 -12.832 -5.367 1.00 0.00 N ATOM 1330 CA VAL A 91 14.704 -12.355 -6.673 1.00 0.00 C ATOM 1331 C VAL A 91 13.501 -11.899 -7.512 1.00 0.00 C ATOM 1332 O VAL A 91 13.629 -10.978 -8.318 1.00 0.00 O ATOM 1333 CB VAL A 91 15.525 -13.457 -7.363 1.00 0.00 C ATOM 1334 CG1 VAL A 91 16.102 -13.040 -8.724 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.678 -13.974 -6.481 1.00 0.00 C ATOM 0 H VAL A 91 13.809 -13.735 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 91 15.339 -11.476 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 91 14.803 -14.256 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.668 -13.869 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.288 -12.773 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.760 -12.181 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.225 -14.750 -7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.353 -13.151 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.273 -14.387 -5.557 1.00 0.00 H new ATOM 1345 N THR A 92 12.326 -12.505 -7.315 1.00 0.00 N ATOM 1346 CA THR A 92 11.152 -12.333 -8.175 1.00 0.00 C ATOM 1347 C THR A 92 10.439 -10.980 -7.986 1.00 0.00 C ATOM 1348 O THR A 92 9.638 -10.556 -8.823 1.00 0.00 O ATOM 1349 CB THR A 92 10.213 -13.519 -7.898 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.076 -13.724 -6.501 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.808 -14.799 -8.480 1.00 0.00 C ATOM 0 H THR A 92 12.161 -13.143 -6.536 1.00 0.00 H new ATOM 0 HA THR A 92 11.471 -12.321 -9.217 1.00 0.00 H new ATOM 0 HB THR A 92 9.247 -13.293 -8.350 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.475 -14.481 -6.339 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.138 -15.635 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.935 -14.685 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.777 -14.992 -8.019 1.00 0.00 H new ATOM 1359 N GLN A 93 10.741 -10.315 -6.873 1.00 0.00 N ATOM 1360 CA GLN A 93 10.316 -9.012 -6.422 1.00 0.00 C ATOM 1361 C GLN A 93 10.492 -7.894 -7.462 1.00 0.00 C ATOM 1362 O GLN A 93 11.272 -8.011 -8.411 1.00 0.00 O ATOM 1363 CB GLN A 93 11.162 -8.783 -5.158 1.00 0.00 C ATOM 1364 CG GLN A 93 10.920 -9.776 -4.013 1.00 0.00 C ATOM 1365 CD GLN A 93 9.504 -10.358 -3.996 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.488 -9.667 -3.947 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.410 -11.659 -4.191 1.00 0.00 N ATOM 0 H GLN A 93 11.368 -10.739 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 93 9.243 -8.982 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.216 -8.824 -5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.968 -7.776 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.638 -10.592 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.110 -9.276 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.254 -12.231 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.494 -12.093 -4.301 1.00 0.00 H new ATOM 1376 N GLU A 94 9.766 -6.787 -7.256 1.00 0.00 N ATOM 1377 CA GLU A 94 9.810 -5.591 -8.071 1.00 0.00 C ATOM 1378 C GLU A 94 11.232 -5.034 -8.042 1.00 0.00 C ATOM 1379 O GLU A 94 11.746 -4.622 -9.084 1.00 0.00 O ATOM 1380 CB GLU A 94 8.757 -4.598 -7.542 1.00 0.00 C ATOM 1381 CG GLU A 94 9.057 -3.127 -7.787 1.00 0.00 C ATOM 1382 CD GLU A 94 9.155 -2.713 -9.271 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.559 -3.381 -10.151 1.00 0.00 O ATOM 1384 OE2 GLU A 94 9.800 -1.675 -9.560 1.00 0.00 O ATOM 0 H GLU A 94 9.108 -6.709 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 94 9.565 -5.797 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.797 -4.836 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.644 -4.753 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.279 -2.530 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.997 -2.878 -7.294 1.00 0.00 H new ATOM 1391 N ILE A 95 11.882 -5.083 -6.871 1.00 0.00 N ATOM 1392 CA ILE A 95 13.300 -4.797 -6.759 1.00 0.00 C ATOM 1393 C ILE A 95 13.952 -5.974 -6.062 1.00 0.00 C ATOM 1394 O ILE A 95 13.435 -6.494 -5.074 1.00 0.00 O ATOM 1395 CB ILE A 95 13.593 -3.506 -5.964 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.067 -2.230 -6.628 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.105 -3.314 -5.704 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.699 -1.846 -7.967 1.00 0.00 C ATOM 0 H ILE A 95 11.434 -5.321 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 95 13.699 -4.643 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 95 13.058 -3.652 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.993 -2.341 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.208 -1.401 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.264 -2.394 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.486 -4.159 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.633 -3.254 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.243 -0.927 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.770 -1.692 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.535 -2.646 -8.689 1.00 0.00 H new ATOM 1410 N PHE A 96 15.103 -6.365 -6.588 1.00 0.00 N ATOM 1411 CA PHE A 96 16.009 -7.261 -5.922 1.00 0.00 C ATOM 1412 C PHE A 96 17.353 -6.619 -6.198 1.00 0.00 C ATOM 1413 O PHE A 96 17.788 -6.517 -7.350 1.00 0.00 O ATOM 1414 CB PHE A 96 15.989 -8.730 -6.355 1.00 0.00 C ATOM 1415 CG PHE A 96 17.226 -9.447 -5.812 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.645 -9.210 -4.486 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.058 -10.201 -6.661 1.00 0.00 C ATOM 1418 CE1 PHE A 96 18.871 -9.690 -4.014 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.276 -10.722 -6.178 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.685 -10.462 -4.857 1.00 0.00 C ATOM 0 H PHE A 96 15.430 -6.058 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 96 15.733 -7.360 -4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.085 -9.215 -5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 96 15.966 -8.798 -7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.006 -8.647 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.763 -10.381 -7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.189 -9.468 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.898 -11.323 -6.825 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.623 -10.855 -4.493 1.00 0.00 H new ATOM 1430 N GLU A 97 17.963 -6.134 -5.131 1.00 0.00 N ATOM 1431 CA GLU A 97 19.227 -5.458 -5.162 1.00 0.00 C ATOM 1432 C GLU A 97 19.999 -5.919 -3.933 1.00 0.00 C ATOM 1433 O GLU A 97 19.445 -6.496 -2.989 1.00 0.00 O ATOM 1434 CB GLU A 97 18.970 -3.937 -5.168 1.00 0.00 C ATOM 1435 CG GLU A 97 20.000 -3.116 -5.941 1.00 0.00 C ATOM 1436 CD GLU A 97 20.139 -3.547 -7.414 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.341 -3.083 -8.263 1.00 0.00 O ATOM 1438 OE2 GLU A 97 21.075 -4.320 -7.727 1.00 0.00 O ATOM 0 H GLU A 97 17.570 -6.208 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 97 19.812 -5.687 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.984 -3.751 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 97 18.944 -3.583 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.719 -2.064 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 97 20.969 -3.206 -5.450 1.00 0.00 H new ATOM 1445 N ASP A 98 21.285 -5.617 -3.937 1.00 0.00 N ATOM 1446 CA ASP A 98 22.161 -5.767 -2.795 1.00 0.00 C ATOM 1447 C ASP A 98 23.065 -4.546 -2.786 1.00 0.00 C ATOM 1448 O ASP A 98 23.851 -4.332 -3.712 1.00 0.00 O ATOM 1449 CB ASP A 98 22.966 -7.062 -2.815 1.00 0.00 C ATOM 1450 CG ASP A 98 23.797 -7.210 -1.531 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.761 -6.452 -1.300 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.548 -8.163 -0.760 1.00 0.00 O ATOM 0 H ASP A 98 21.760 -5.250 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 98 21.568 -5.834 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.292 -7.913 -2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.625 -7.072 -3.683 1.00 0.00 H new ATOM 1457 N TRP A 99 22.860 -3.684 -1.800 1.00 0.00 N ATOM 1458 CA TRP A 99 23.648 -2.493 -1.579 1.00 0.00 C ATOM 1459 C TRP A 99 24.892 -2.915 -0.806 1.00 0.00 C ATOM 1460 O TRP A 99 24.952 -2.803 0.414 1.00 0.00 O ATOM 1461 CB TRP A 99 22.768 -1.429 -0.901 1.00 0.00 C ATOM 1462 CG TRP A 99 21.688 -0.857 -1.774 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.468 -1.109 -3.089 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.589 -0.008 -1.354 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.305 -0.489 -3.495 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.689 0.146 -2.447 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.229 0.588 -0.127 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.457 0.790 -2.313 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.989 1.235 0.019 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.094 1.300 -1.061 1.00 0.00 C ATOM 0 H TRP A 99 22.115 -3.804 -1.113 1.00 0.00 H new ATOM 0 HA TRP A 99 23.996 -2.020 -2.497 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.306 -1.869 -0.017 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.406 -0.615 -0.556 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.108 -1.706 -3.723 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.949 -0.501 -4.451 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.912 0.547 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.796 0.893 -3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.724 1.683 0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.120 1.746 -0.925 1.00 0.00 H new ATOM 1481 N GLN A 100 25.885 -3.423 -1.535 1.00 0.00 N ATOM 1482 CA GLN A 100 27.195 -3.874 -1.060 1.00 0.00 C ATOM 1483 C GLN A 100 28.057 -2.765 -0.389 1.00 0.00 C ATOM 1484 O GLN A 100 29.288 -2.809 -0.465 1.00 0.00 O ATOM 1485 CB GLN A 100 27.962 -4.529 -2.215 1.00 0.00 C ATOM 1486 CG GLN A 100 28.267 -3.639 -3.437 1.00 0.00 C ATOM 1487 CD GLN A 100 27.051 -3.427 -4.337 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.416 -2.376 -4.310 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.675 -4.435 -5.109 1.00 0.00 N ATOM 0 H GLN A 100 25.790 -3.539 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 100 27.000 -4.599 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.907 -4.907 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.391 -5.392 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 100 28.631 -2.671 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.069 -4.093 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.216 -5.300 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.845 -4.346 -5.695 1.00 0.00 H new ATOM 1498 N LEU A 101 27.445 -1.717 0.171 1.00 0.00 N ATOM 1499 CA LEU A 101 28.135 -0.543 0.693 1.00 0.00 C ATOM 1500 C LEU A 101 28.962 -0.916 1.933 1.00 0.00 C ATOM 1501 O LEU A 101 28.926 -2.053 2.405 1.00 0.00 O ATOM 1502 CB LEU A 101 27.124 0.595 1.010 1.00 0.00 C ATOM 1503 CG LEU A 101 26.679 1.503 -0.165 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.818 2.444 -0.583 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.228 0.719 -1.400 1.00 0.00 C ATOM 0 H LEU A 101 26.432 -1.664 0.274 1.00 0.00 H new ATOM 0 HA LEU A 101 28.819 -0.174 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.232 0.142 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.563 1.231 1.779 1.00 0.00 H new ATOM 0 HG LEU A 101 25.825 2.067 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.486 3.073 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.099 3.073 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.679 1.855 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.930 1.415 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.050 0.099 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.382 0.083 -1.139 1.00 0.00 H new ATOM 1517 N GLU A 102 29.714 0.057 2.452 1.00 0.00 N ATOM 1518 CA GLU A 102 30.702 -0.147 3.500 1.00 0.00 C ATOM 1519 C GLU A 102 30.157 -0.800 4.766 1.00 0.00 C ATOM 1520 O GLU A 102 28.960 -0.824 5.051 1.00 0.00 O ATOM 1521 CB GLU A 102 31.418 1.179 3.819 1.00 0.00 C ATOM 1522 CG GLU A 102 32.764 1.247 3.102 1.00 0.00 C ATOM 1523 CD GLU A 102 33.875 0.468 3.840 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.644 -0.694 4.258 1.00 0.00 O ATOM 1525 OE2 GLU A 102 34.994 1.017 3.996 1.00 0.00 O ATOM 0 H GLU A 102 29.647 1.027 2.145 1.00 0.00 H new ATOM 0 HA GLU A 102 31.419 -0.866 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.794 2.019 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.568 1.268 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.654 0.847 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 102 33.064 2.290 3.000 1.00 0.00 H new ATOM 1532 N ASP A 103 31.090 -1.346 5.527 1.00 0.00 N ATOM 1533 CA ASP A 103 30.891 -2.070 6.771 1.00 0.00 C ATOM 1534 C ASP A 103 31.286 -1.159 7.939 1.00 0.00 C ATOM 1535 O ASP A 103 32.475 -0.873 8.122 1.00 0.00 O ATOM 1536 CB ASP A 103 31.745 -3.336 6.775 1.00 0.00 C ATOM 1537 CG ASP A 103 31.658 -4.055 8.126 1.00 0.00 C ATOM 1538 OD1 ASP A 103 30.660 -3.862 8.859 1.00 0.00 O ATOM 1539 OD2 ASP A 103 32.586 -4.839 8.423 1.00 0.00 O ATOM 0 H ASP A 103 32.077 -1.291 5.274 1.00 0.00 H new ATOM 0 HA ASP A 103 29.845 -2.359 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.413 -4.005 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 103 32.783 -3.079 6.562 1.00 0.00 H new ATOM 1544 N PRO A 104 30.319 -0.655 8.725 1.00 0.00 N ATOM 1545 CA PRO A 104 30.604 0.173 9.882 1.00 0.00 C ATOM 1546 C PRO A 104 30.997 -0.666 11.108 1.00 0.00 C ATOM 1547 O PRO A 104 31.388 -0.059 12.095 1.00 0.00 O ATOM 1548 CB PRO A 104 29.311 0.953 10.135 1.00 0.00 C ATOM 1549 CG PRO A 104 28.242 -0.069 9.744 1.00 0.00 C ATOM 1550 CD PRO A 104 28.882 -0.850 8.593 1.00 0.00 C ATOM 0 HA PRO A 104 31.454 0.831 9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.218 1.263 11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.254 1.856 9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.990 -0.723 10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.319 0.419 9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.625 -1.908 8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 104 28.526 -0.486 7.629 1.00 0.00 H new ATOM 1558 N ASP A 105 30.913 -2.008 11.057 1.00 0.00 N ATOM 1559 CA ASP A 105 31.210 -2.983 12.118 1.00 0.00 C ATOM 1560 C ASP A 105 31.123 -2.389 13.532 1.00 0.00 C ATOM 1561 O ASP A 105 30.030 -2.199 14.064 1.00 0.00 O ATOM 1562 CB ASP A 105 32.574 -3.642 11.850 1.00 0.00 C ATOM 1563 CG ASP A 105 32.927 -4.680 12.932 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.028 -5.411 13.406 1.00 0.00 O ATOM 1565 OD2 ASP A 105 34.115 -4.735 13.324 1.00 0.00 O ATOM 0 H ASP A 105 30.611 -2.475 10.202 1.00 0.00 H new ATOM 0 HA ASP A 105 30.435 -3.749 12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.559 -4.125 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.348 -2.875 11.815 1.00 0.00 H new ATOM 1570 N GLY A 106 32.277 -2.043 14.096 1.00 0.00 N ATOM 1571 CA GLY A 106 32.462 -1.278 15.323 1.00 0.00 C ATOM 1572 C GLY A 106 33.522 -0.201 15.075 1.00 0.00 C ATOM 1573 O GLY A 106 34.421 0.001 15.895 1.00 0.00 O ATOM 0 H GLY A 106 33.168 -2.309 13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.521 -0.819 15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 106 32.774 -1.935 16.135 1.00 0.00 H new ATOM 1577 N GLN A 107 33.465 0.408 13.886 1.00 0.00 N ATOM 1578 CA GLN A 107 34.408 1.391 13.373 1.00 0.00 C ATOM 1579 C GLN A 107 34.314 2.731 14.100 1.00 0.00 C ATOM 1580 O GLN A 107 33.528 2.931 15.032 1.00 0.00 O ATOM 1581 CB GLN A 107 34.183 1.580 11.854 1.00 0.00 C ATOM 1582 CG GLN A 107 34.645 0.336 11.080 1.00 0.00 C ATOM 1583 CD GLN A 107 35.483 0.697 9.856 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.595 1.204 9.979 1.00 0.00 O ATOM 1585 NE2 GLN A 107 34.981 0.470 8.655 1.00 0.00 N ATOM 0 H GLN A 107 32.715 0.213 13.223 1.00 0.00 H new ATOM 0 HA GLN A 107 35.413 1.010 13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.127 1.766 11.658 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.731 2.456 11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.228 -0.305 11.741 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.774 -0.238 10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.057 0.049 8.560 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.518 0.716 7.823 1.00 0.00 H new ATOM 1594 N SER A 108 35.141 3.653 13.616 1.00 0.00 N ATOM 1595 CA SER A 108 35.129 5.049 14.006 1.00 0.00 C ATOM 1596 C SER A 108 33.770 5.649 13.642 1.00 0.00 C ATOM 1597 O SER A 108 33.143 5.221 12.665 1.00 0.00 O ATOM 1598 CB SER A 108 36.276 5.791 13.293 1.00 0.00 C ATOM 1599 OG SER A 108 37.505 5.078 13.393 1.00 0.00 O ATOM 0 H SER A 108 35.857 3.438 12.922 1.00 0.00 H new ATOM 0 HA SER A 108 35.280 5.148 15.081 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.021 5.932 12.243 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.394 6.783 13.728 1.00 0.00 H new ATOM 0 HG SER A 108 38.210 5.575 12.929 1.00 0.00 H new ATOM 1605 N LEU A 109 33.356 6.696 14.362 1.00 0.00 N ATOM 1606 CA LEU A 109 32.101 7.403 14.092 1.00 0.00 C ATOM 1607 C LEU A 109 32.065 7.914 12.656 1.00 0.00 C ATOM 1608 O LEU A 109 31.001 7.973 12.059 1.00 0.00 O ATOM 1609 CB LEU A 109 31.894 8.570 15.075 1.00 0.00 C ATOM 1610 CG LEU A 109 31.759 8.187 16.565 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.301 9.416 17.365 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.802 7.012 16.809 1.00 0.00 C ATOM 0 H LEU A 109 33.882 7.077 15.149 1.00 0.00 H new ATOM 0 HA LEU A 109 31.287 6.691 14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.733 9.258 14.972 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.997 9.114 14.778 1.00 0.00 H new ATOM 0 HG LEU A 109 32.741 7.854 16.901 1.00 0.00 H new ATOM 0 HD11 LEU A 109 31.204 9.150 18.418 1.00 0.00 H new ATOM 0 HD12 LEU A 109 32.036 10.214 17.258 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.337 9.758 16.987 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.755 6.797 17.876 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.807 7.272 16.447 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.163 6.132 16.277 1.00 0.00 H new ATOM 1624 N GLU A 110 33.219 8.229 12.069 1.00 0.00 N ATOM 1625 CA GLU A 110 33.297 8.711 10.695 1.00 0.00 C ATOM 1626 C GLU A 110 32.763 7.677 9.724 1.00 0.00 C ATOM 1627 O GLU A 110 32.057 8.054 8.790 1.00 0.00 O ATOM 1628 CB GLU A 110 34.741 9.077 10.328 1.00 0.00 C ATOM 1629 CG GLU A 110 35.143 10.333 11.096 1.00 0.00 C ATOM 1630 CD GLU A 110 36.525 10.855 10.660 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.556 10.400 11.213 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.593 11.740 9.773 1.00 0.00 O ATOM 0 H GLU A 110 34.124 8.157 12.534 1.00 0.00 H new ATOM 0 HA GLU A 110 32.678 9.606 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.412 8.254 10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.825 9.248 9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.395 11.110 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.157 10.116 12.164 1.00 0.00 H new ATOM 1639 N VAL A 111 33.042 6.384 9.927 1.00 0.00 N ATOM 1640 CA VAL A 111 32.519 5.394 9.011 1.00 0.00 C ATOM 1641 C VAL A 111 31.028 5.220 9.258 1.00 0.00 C ATOM 1642 O VAL A 111 30.285 5.172 8.286 1.00 0.00 O ATOM 1643 CB VAL A 111 33.327 4.085 9.059 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.768 3.122 7.997 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.813 4.351 8.761 1.00 0.00 C ATOM 0 H VAL A 111 33.608 6.019 10.693 1.00 0.00 H new ATOM 0 HA VAL A 111 32.635 5.742 7.985 1.00 0.00 H new ATOM 0 HB VAL A 111 33.243 3.652 10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.331 2.189 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.718 2.917 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.858 3.577 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.366 3.412 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.912 4.789 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.215 5.040 9.504 1.00 0.00 H new ATOM 1655 N PHE A 112 30.560 5.216 10.508 1.00 0.00 N ATOM 1656 CA PHE A 112 29.117 5.270 10.775 1.00 0.00 C ATOM 1657 C PHE A 112 28.449 6.430 10.012 1.00 0.00 C ATOM 1658 O PHE A 112 27.497 6.195 9.265 1.00 0.00 O ATOM 1659 CB PHE A 112 28.827 5.368 12.278 1.00 0.00 C ATOM 1660 CG PHE A 112 28.856 4.050 13.028 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.075 3.470 13.424 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.644 3.413 13.359 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.082 2.255 14.130 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.654 2.208 14.083 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.875 1.621 14.461 1.00 0.00 C ATOM 0 H PHE A 112 31.147 5.177 11.341 1.00 0.00 H new ATOM 0 HA PHE A 112 28.686 4.337 10.413 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.556 6.041 12.729 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.846 5.824 12.414 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.007 3.960 13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.705 3.851 13.056 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.021 1.807 14.419 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.722 1.732 14.350 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.883 0.687 15.003 1.00 0.00 H new ATOM 1675 N ARG A 113 28.973 7.659 10.124 1.00 0.00 N ATOM 1676 CA ARG A 113 28.441 8.835 9.417 1.00 0.00 C ATOM 1677 C ARG A 113 28.468 8.623 7.913 1.00 0.00 C ATOM 1678 O ARG A 113 27.499 8.933 7.223 1.00 0.00 O ATOM 1679 CB ARG A 113 29.275 10.096 9.718 1.00 0.00 C ATOM 1680 CG ARG A 113 29.136 10.617 11.155 1.00 0.00 C ATOM 1681 CD ARG A 113 29.883 11.941 11.335 1.00 0.00 C ATOM 1682 NE ARG A 113 29.634 12.496 12.673 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.448 13.304 13.366 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.605 13.727 12.855 1.00 0.00 N ATOM 1685 NH2 ARG A 113 30.088 13.687 14.582 1.00 0.00 N ATOM 0 H ARG A 113 29.781 7.867 10.710 1.00 0.00 H new ATOM 0 HA ARG A 113 27.417 8.969 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.325 9.878 9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.980 10.886 9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 113 28.082 10.755 11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.527 9.877 11.853 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.952 11.784 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.562 12.653 10.574 1.00 0.00 H new ATOM 0 HE ARG A 113 28.753 12.240 13.119 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.886 13.436 11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 113 32.209 14.342 13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 113 29.203 13.367 14.977 1.00 0.00 H new ATOM 0 HH22 ARG A 113 30.695 14.302 15.124 1.00 0.00 H new ATOM 1699 N THR A 114 29.583 8.109 7.403 1.00 0.00 N ATOM 1700 CA THR A 114 29.773 7.983 5.975 1.00 0.00 C ATOM 1701 C THR A 114 28.794 6.942 5.439 1.00 0.00 C ATOM 1702 O THR A 114 28.117 7.197 4.447 1.00 0.00 O ATOM 1703 CB THR A 114 31.235 7.616 5.675 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.096 8.640 6.145 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.489 7.430 4.177 1.00 0.00 C ATOM 0 H THR A 114 30.366 7.774 7.965 1.00 0.00 H new ATOM 0 HA THR A 114 29.570 8.930 5.474 1.00 0.00 H new ATOM 0 HB THR A 114 31.435 6.673 6.183 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.190 8.568 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.535 7.172 4.015 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.855 6.629 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.258 8.356 3.651 1.00 0.00 H new ATOM 1713 N VAL A 115 28.668 5.792 6.106 1.00 0.00 N ATOM 1714 CA VAL A 115 27.893 4.675 5.581 1.00 0.00 C ATOM 1715 C VAL A 115 26.438 5.106 5.538 1.00 0.00 C ATOM 1716 O VAL A 115 25.799 5.006 4.500 1.00 0.00 O ATOM 1717 CB VAL A 115 28.113 3.415 6.455 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.104 2.290 6.175 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.504 2.837 6.200 1.00 0.00 C ATOM 0 H VAL A 115 29.096 5.614 7.014 1.00 0.00 H new ATOM 0 HA VAL A 115 28.213 4.409 4.574 1.00 0.00 H new ATOM 0 HB VAL A 115 27.987 3.750 7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.318 1.440 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.094 2.650 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.183 1.981 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.649 1.952 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.598 2.564 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.259 3.582 6.450 1.00 0.00 H new ATOM 1729 N ARG A 116 25.957 5.676 6.641 1.00 0.00 N ATOM 1730 CA ARG A 116 24.668 6.342 6.736 1.00 0.00 C ATOM 1731 C ARG A 116 24.438 7.238 5.526 1.00 0.00 C ATOM 1732 O ARG A 116 23.462 7.024 4.817 1.00 0.00 O ATOM 1733 CB ARG A 116 24.708 7.102 8.062 1.00 0.00 C ATOM 1734 CG ARG A 116 23.569 8.077 8.363 1.00 0.00 C ATOM 1735 CD ARG A 116 23.994 8.884 9.594 1.00 0.00 C ATOM 1736 NE ARG A 116 24.668 10.153 9.234 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.325 10.962 10.078 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.363 10.705 11.378 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.973 12.023 9.613 1.00 0.00 N ATOM 0 H ARG A 116 26.474 5.685 7.520 1.00 0.00 H new ATOM 0 HA ARG A 116 23.827 5.649 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.741 6.368 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.644 7.659 8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.388 8.735 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.640 7.540 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.116 9.102 10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.664 8.281 10.206 1.00 0.00 H new ATOM 0 HE ARG A 116 24.629 10.437 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.888 9.882 11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.867 11.330 12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.972 12.224 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.472 12.638 10.256 1.00 0.00 H new ATOM 1753 N GLY A 117 25.314 8.196 5.232 1.00 0.00 N ATOM 1754 CA GLY A 117 25.061 9.127 4.133 1.00 0.00 C ATOM 1755 C GLY A 117 24.990 8.413 2.785 1.00 0.00 C ATOM 1756 O GLY A 117 24.082 8.666 1.994 1.00 0.00 O ATOM 0 H GLY A 117 26.191 8.348 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.125 9.655 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.851 9.878 4.105 1.00 0.00 H new ATOM 1760 N GLN A 118 25.878 7.455 2.540 1.00 0.00 N ATOM 1761 CA GLN A 118 25.880 6.705 1.290 1.00 0.00 C ATOM 1762 C GLN A 118 24.589 5.900 1.154 1.00 0.00 C ATOM 1763 O GLN A 118 23.960 5.882 0.096 1.00 0.00 O ATOM 1764 CB GLN A 118 27.118 5.803 1.217 1.00 0.00 C ATOM 1765 CG GLN A 118 28.397 6.651 1.216 1.00 0.00 C ATOM 1766 CD GLN A 118 29.681 5.812 1.212 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.747 4.731 1.793 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.736 6.288 0.566 1.00 0.00 N ATOM 0 H GLN A 118 26.609 7.179 3.195 1.00 0.00 H new ATOM 0 HA GLN A 118 25.926 7.402 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.128 5.119 2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.078 5.192 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.393 7.301 0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.397 7.298 2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.677 7.186 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.607 5.757 0.550 1.00 0.00 H new ATOM 1777 N VAL A 119 24.151 5.289 2.251 1.00 0.00 N ATOM 1778 CA VAL A 119 22.889 4.573 2.318 1.00 0.00 C ATOM 1779 C VAL A 119 21.746 5.559 2.061 1.00 0.00 C ATOM 1780 O VAL A 119 20.808 5.200 1.361 1.00 0.00 O ATOM 1781 CB VAL A 119 22.756 3.887 3.700 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.353 3.347 3.988 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.722 2.690 3.797 1.00 0.00 C ATOM 0 H VAL A 119 24.672 5.279 3.128 1.00 0.00 H new ATOM 0 HA VAL A 119 22.848 3.794 1.557 1.00 0.00 H new ATOM 0 HB VAL A 119 22.987 4.665 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.338 2.881 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.635 4.167 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.085 2.608 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.618 2.217 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.485 1.967 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.747 3.038 3.670 1.00 0.00 H new ATOM 1793 N LYS A 120 21.802 6.796 2.569 1.00 0.00 N ATOM 1794 CA LYS A 120 20.706 7.761 2.435 1.00 0.00 C ATOM 1795 C LYS A 120 20.385 8.008 0.968 1.00 0.00 C ATOM 1796 O LYS A 120 19.219 8.047 0.587 1.00 0.00 O ATOM 1797 CB LYS A 120 20.985 9.037 3.271 1.00 0.00 C ATOM 1798 CG LYS A 120 21.633 10.268 2.600 1.00 0.00 C ATOM 1799 CD LYS A 120 20.699 11.487 2.507 1.00 0.00 C ATOM 1800 CE LYS A 120 19.434 11.248 1.657 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.626 12.492 1.505 1.00 0.00 N ATOM 0 H LYS A 120 22.607 7.155 3.083 1.00 0.00 H new ATOM 0 HA LYS A 120 19.793 7.344 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 120 20.035 9.361 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.625 8.746 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.526 10.548 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.959 9.994 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.398 11.778 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.254 12.325 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.722 10.879 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.825 10.473 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.793 12.295 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.316 12.821 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.205 13.229 1.054 1.00 0.00 H new ATOM 1815 N GLU A 121 21.416 8.124 0.132 1.00 0.00 N ATOM 1816 CA GLU A 121 21.247 8.316 -1.300 1.00 0.00 C ATOM 1817 C GLU A 121 20.673 7.051 -1.934 1.00 0.00 C ATOM 1818 O GLU A 121 19.799 7.144 -2.792 1.00 0.00 O ATOM 1819 CB GLU A 121 22.589 8.686 -1.959 1.00 0.00 C ATOM 1820 CG GLU A 121 23.181 9.997 -1.429 1.00 0.00 C ATOM 1821 CD GLU A 121 24.426 10.410 -2.236 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.547 9.936 -1.931 1.00 0.00 O ATOM 1823 OE2 GLU A 121 24.291 11.232 -3.176 1.00 0.00 O ATOM 0 H GLU A 121 22.390 8.087 0.432 1.00 0.00 H new ATOM 0 HA GLU A 121 20.549 9.138 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.303 7.879 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.447 8.769 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.431 10.786 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.447 9.881 -0.378 1.00 0.00 H new ATOM 1830 N ARG A 122 21.125 5.864 -1.517 1.00 0.00 N ATOM 1831 CA ARG A 122 20.629 4.595 -2.059 1.00 0.00 C ATOM 1832 C ARG A 122 19.155 4.416 -1.720 1.00 0.00 C ATOM 1833 O ARG A 122 18.354 4.140 -2.607 1.00 0.00 O ATOM 1834 CB ARG A 122 21.438 3.420 -1.494 1.00 0.00 C ATOM 1835 CG ARG A 122 22.937 3.418 -1.833 1.00 0.00 C ATOM 1836 CD ARG A 122 23.272 2.734 -3.159 1.00 0.00 C ATOM 1837 NE ARG A 122 22.848 3.542 -4.320 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.267 3.101 -5.447 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.910 1.826 -5.574 1.00 0.00 N ATOM 1840 NH2 ARG A 122 22.042 3.947 -6.446 1.00 0.00 N ATOM 0 H ARG A 122 21.841 5.756 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 122 20.744 4.615 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.330 3.417 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.000 2.492 -1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.293 4.448 -1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.480 2.919 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 122 24.346 2.556 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.785 1.760 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 122 23.015 4.546 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.077 1.171 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.469 1.503 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 122 22.310 4.927 -6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 122 21.601 3.617 -7.304 1.00 0.00 H new ATOM 1854 N VAL A 123 18.783 4.652 -0.462 1.00 0.00 N ATOM 1855 CA VAL A 123 17.415 4.594 0.002 1.00 0.00 C ATOM 1856 C VAL A 123 16.583 5.536 -0.840 1.00 0.00 C ATOM 1857 O VAL A 123 15.584 5.125 -1.423 1.00 0.00 O ATOM 1858 CB VAL A 123 17.404 4.945 1.500 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.992 5.138 2.025 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.042 3.841 2.355 1.00 0.00 C ATOM 0 H VAL A 123 19.448 4.894 0.273 1.00 0.00 H new ATOM 0 HA VAL A 123 16.981 3.600 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 123 17.976 5.870 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.029 5.384 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.509 5.950 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.423 4.219 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.012 4.131 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.490 2.911 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.078 3.696 2.048 1.00 0.00 H new ATOM 1870 N GLU A 124 17.023 6.777 -0.967 1.00 0.00 N ATOM 1871 CA GLU A 124 16.255 7.775 -1.668 1.00 0.00 C ATOM 1872 C GLU A 124 16.137 7.448 -3.155 1.00 0.00 C ATOM 1873 O GLU A 124 15.100 7.723 -3.751 1.00 0.00 O ATOM 1874 CB GLU A 124 16.889 9.116 -1.363 1.00 0.00 C ATOM 1875 CG GLU A 124 16.070 10.266 -1.935 1.00 0.00 C ATOM 1876 CD GLU A 124 16.638 11.624 -1.498 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.594 11.943 -0.285 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.148 12.379 -2.359 1.00 0.00 O ATOM 0 H GLU A 124 17.910 7.111 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 124 15.219 7.800 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.984 9.237 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.897 9.145 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.063 10.205 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.035 10.178 -1.604 1.00 0.00 H new ATOM 1885 N ASN A 125 17.148 6.816 -3.752 1.00 0.00 N ATOM 1886 CA ASN A 125 17.083 6.335 -5.128 1.00 0.00 C ATOM 1887 C ASN A 125 15.996 5.280 -5.287 1.00 0.00 C ATOM 1888 O ASN A 125 15.183 5.365 -6.206 1.00 0.00 O ATOM 1889 CB ASN A 125 18.418 5.745 -5.605 1.00 0.00 C ATOM 1890 CG ASN A 125 19.268 6.787 -6.325 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.302 6.842 -7.552 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.948 7.644 -5.580 1.00 0.00 N ATOM 0 H ASN A 125 18.037 6.624 -3.291 1.00 0.00 H new ATOM 0 HA ASN A 125 16.850 7.205 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.969 5.353 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.227 4.906 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.514 8.368 -6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.906 7.581 -4.563 1.00 0.00 H new ATOM 1899 N LEU A 126 15.968 4.294 -4.386 1.00 0.00 N ATOM 1900 CA LEU A 126 14.943 3.246 -4.373 1.00 0.00 C ATOM 1901 C LEU A 126 13.564 3.851 -4.224 1.00 0.00 C ATOM 1902 O LEU A 126 12.649 3.478 -4.950 1.00 0.00 O ATOM 1903 CB LEU A 126 15.284 2.194 -3.302 1.00 0.00 C ATOM 1904 CG LEU A 126 14.155 1.535 -2.480 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.466 0.053 -2.311 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.006 2.123 -1.075 1.00 0.00 C ATOM 0 H LEU A 126 16.659 4.200 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 126 14.932 2.721 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.834 1.394 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.969 2.662 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 126 13.230 1.713 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.674 -0.421 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.531 -0.419 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.416 -0.062 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.196 1.615 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.936 1.986 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.780 3.187 -1.148 1.00 0.00 H new ATOM 1918 N ILE A 127 13.438 4.825 -3.341 1.00 0.00 N ATOM 1919 CA ILE A 127 12.208 5.573 -3.156 1.00 0.00 C ATOM 1920 C ILE A 127 11.850 6.320 -4.438 1.00 0.00 C ATOM 1921 O ILE A 127 10.696 6.297 -4.845 1.00 0.00 O ATOM 1922 CB ILE A 127 12.427 6.486 -1.946 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.120 5.636 -0.699 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.637 7.798 -1.917 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.121 5.934 0.406 1.00 0.00 C ATOM 0 H ILE A 127 14.195 5.122 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 127 11.353 4.928 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 127 13.458 6.836 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.109 5.845 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.156 4.577 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.882 8.351 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.896 8.398 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.569 7.580 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.890 5.325 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.127 5.702 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.064 6.989 0.674 1.00 0.00 H new ATOM 1937 N ALA A 128 12.809 6.953 -5.114 1.00 0.00 N ATOM 1938 CA ALA A 128 12.518 7.767 -6.284 1.00 0.00 C ATOM 1939 C ALA A 128 11.886 6.948 -7.410 1.00 0.00 C ATOM 1940 O ALA A 128 11.067 7.485 -8.162 1.00 0.00 O ATOM 1941 CB ALA A 128 13.783 8.487 -6.767 1.00 0.00 C ATOM 0 H ALA A 128 13.798 6.914 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 128 11.785 8.517 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.546 9.091 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.160 9.132 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.543 7.751 -7.029 1.00 0.00 H new ATOM 1947 N LYS A 129 12.242 5.661 -7.524 1.00 0.00 N ATOM 1948 CA LYS A 129 11.631 4.777 -8.502 1.00 0.00 C ATOM 1949 C LYS A 129 10.281 4.220 -8.043 1.00 0.00 C ATOM 1950 O LYS A 129 9.406 4.058 -8.897 1.00 0.00 O ATOM 1951 CB LYS A 129 12.609 3.700 -8.997 1.00 0.00 C ATOM 1952 CG LYS A 129 13.324 2.875 -7.917 1.00 0.00 C ATOM 1953 CD LYS A 129 14.607 2.206 -8.420 1.00 0.00 C ATOM 1954 CE LYS A 129 14.362 1.329 -9.657 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.616 0.746 -10.212 1.00 0.00 N ATOM 0 H LYS A 129 12.954 5.216 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 129 11.397 5.388 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.062 3.014 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.366 4.184 -9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.566 3.523 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.644 2.109 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.343 2.973 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.032 1.596 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 129 13.677 0.522 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.872 1.925 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.390 0.165 -11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.262 1.512 -10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.073 0.154 -9.490 1.00 0.00 H new ATOM 1969 N ILE A 130 10.082 3.937 -6.748 1.00 0.00 N ATOM 1970 CA ILE A 130 8.865 3.285 -6.280 1.00 0.00 C ATOM 1971 C ILE A 130 7.783 4.222 -5.745 1.00 0.00 C ATOM 1972 O ILE A 130 6.600 3.982 -6.007 1.00 0.00 O ATOM 1973 CB ILE A 130 9.186 2.183 -5.255 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.793 2.650 -3.922 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.901 1.019 -5.968 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.459 1.527 -3.120 1.00 0.00 C ATOM 0 H ILE A 130 10.753 4.152 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 130 8.433 2.841 -7.177 1.00 0.00 H new ATOM 0 HB ILE A 130 8.240 1.798 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.530 3.428 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.009 3.102 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.130 0.236 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.253 0.616 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.826 1.381 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.864 1.933 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.721 0.759 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.266 1.090 -3.708 1.00 0.00 H new ATOM 1988 N SER A 131 8.147 5.212 -4.947 1.00 0.00 N ATOM 1989 CA SER A 131 7.228 6.064 -4.220 1.00 0.00 C ATOM 1990 C SER A 131 6.577 7.110 -5.141 1.00 0.00 C ATOM 1991 O SER A 131 6.993 7.268 -6.316 1.00 0.00 O ATOM 1992 CB SER A 131 7.998 6.729 -3.085 1.00 0.00 C ATOM 1993 OG SER A 131 8.607 5.721 -2.276 1.00 0.00 O ATOM 1994 OXT SER A 131 5.653 7.810 -4.666 1.00 0.00 O ATOM 0 H SER A 131 9.125 5.451 -4.784 1.00 0.00 H new ATOM 0 HA SER A 131 6.413 5.463 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.759 7.397 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.325 7.339 -2.482 1.00 0.00 H new ATOM 0 HG SER A 131 8.968 6.129 -1.462 1.00 0.00 H new TER 2000 SER A 131