USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 72 THR OG1 : rot 68:sc= 0.504 USER MOD Set 1.2: A 105 ASN : amide:sc= 0.377 K(o=0.88,f=-8!) USER MOD Set 2.1: A 65 SER OG : rot 18:sc= 0.34 USER MOD Set 2.2: A 102 TYR OH : rot 160:sc= 0.919 USER MOD Set 3.1: A 57 THR OG1 : rot -73:sc= 0.512 USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0.461 USER MOD Set 4.1: A 37 GLN : amide:sc= -0.452 X(o=-1.1,f=-1.1) USER MOD Set 4.2: A 87 SER OG : rot -102:sc= -0.659 USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= 0.509 USER MOD Set 5.2: A 32 SER OG : rot 111:sc= -0.293 USER MOD Set 6.1: A 17 TYR OH : rot -88:sc= 0.476 USER MOD Set 6.2: A 29 HIS : no HE2:sc= -0.325 K(o=0.15,f=-1.5) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.118 (180deg=-0.609) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= 0.367 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.539 K(o=-0.54,f=-3.9!) USER MOD Single : A 13 GLN : amide:sc= -0.962 K(o=-0.96,f=-5.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00369 USER MOD Single : A 16 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.48) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -111:sc= 0.15 USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0.899 (180deg=0.0369) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.33) USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= -0.417 (180deg=-2.34!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.712 K(o=-0.71,f=-0.019) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -131:sc= -0.699 (180deg=-3.45!) USER MOD Single : A 88 LYS NZ :NH3+ 143:sc= 1.26 (180deg=-0.325) USER MOD Single : A 89 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.5!) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0461) USER MOD Single : A 94 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.8!) USER MOD Single : A 95 ASN : amide:sc= -0.0724 K(o=-0.072,f=-0.8!) USER MOD Single : A 99 THR OG1 : rot 33:sc= 0.316 USER MOD Single : A 103 SER OG : rot 104:sc= 0.375 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.996 -28.536 1.682 1.00 0.00 N ATOM 2 CA MET A 1 19.574 -28.628 2.052 1.00 0.00 C ATOM 3 C MET A 1 18.960 -27.229 1.957 1.00 0.00 C ATOM 4 O MET A 1 19.431 -26.294 2.615 1.00 0.00 O ATOM 5 CB MET A 1 19.386 -29.231 3.474 1.00 0.00 C ATOM 6 CG MET A 1 17.920 -29.540 3.851 1.00 0.00 C ATOM 7 SD MET A 1 17.754 -30.371 5.451 1.00 0.00 S ATOM 8 CE MET A 1 18.655 -31.899 5.180 1.00 0.00 C ATOM 0 H1 MET A 1 21.432 -29.479 1.741 1.00 0.00 H new ATOM 0 H2 MET A 1 21.079 -28.176 0.710 1.00 0.00 H new ATOM 0 H3 MET A 1 21.483 -27.888 2.334 1.00 0.00 H new ATOM 0 HA MET A 1 19.065 -29.303 1.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.967 -30.150 3.545 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.797 -28.537 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.353 -28.609 3.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.477 -30.166 3.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.347 -32.639 5.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.442 -32.275 4.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.725 -31.713 5.277 1.00 0.00 H new ATOM 20 N ILE A 2 17.928 -27.101 1.127 1.00 0.00 N ATOM 21 CA ILE A 2 17.289 -25.825 0.790 1.00 0.00 C ATOM 22 C ILE A 2 15.819 -25.843 1.224 1.00 0.00 C ATOM 23 O ILE A 2 15.046 -26.699 0.771 1.00 0.00 O ATOM 24 CB ILE A 2 17.392 -25.553 -0.764 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.874 -25.279 -1.184 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.459 -24.405 -1.214 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.483 -24.035 -0.568 1.00 0.00 C ATOM 0 H ILE A 2 17.500 -27.899 0.657 1.00 0.00 H new ATOM 0 HA ILE A 2 17.805 -25.025 1.320 1.00 0.00 H new ATOM 0 HB ILE A 2 17.055 -26.454 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.482 -26.141 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.920 -25.191 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.562 -24.252 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.426 -24.663 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.730 -23.489 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.511 -23.923 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.903 -23.161 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.474 -24.125 0.518 1.00 0.00 H new ATOM 39 N GLU A 3 15.443 -24.912 2.118 1.00 0.00 N ATOM 40 CA GLU A 3 14.029 -24.640 2.430 1.00 0.00 C ATOM 41 C GLU A 3 13.576 -23.410 1.608 1.00 0.00 C ATOM 42 O GLU A 3 14.353 -22.446 1.468 1.00 0.00 O ATOM 43 CB GLU A 3 13.805 -24.408 3.949 1.00 0.00 C ATOM 44 CG GLU A 3 14.587 -23.229 4.549 1.00 0.00 C ATOM 45 CD GLU A 3 14.191 -22.916 5.998 1.00 0.00 C ATOM 46 OE1 GLU A 3 14.542 -23.696 6.899 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.508 -21.907 6.240 1.00 0.00 O ATOM 0 H GLU A 3 16.102 -24.333 2.639 1.00 0.00 H new ATOM 0 HA GLU A 3 13.430 -25.510 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.741 -24.245 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.080 -25.317 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.653 -23.452 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.424 -22.343 3.935 1.00 0.00 H new ATOM 54 N PRO A 4 12.348 -23.429 1.001 1.00 0.00 N ATOM 55 CA PRO A 4 11.807 -22.250 0.299 1.00 0.00 C ATOM 56 C PRO A 4 11.373 -21.174 1.314 1.00 0.00 C ATOM 57 O PRO A 4 10.527 -21.429 2.186 1.00 0.00 O ATOM 58 CB PRO A 4 10.594 -22.823 -0.506 1.00 0.00 C ATOM 59 CG PRO A 4 10.696 -24.324 -0.383 1.00 0.00 C ATOM 60 CD PRO A 4 11.412 -24.578 0.927 1.00 0.00 C ATOM 0 HA PRO A 4 12.531 -21.759 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.649 -22.460 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.635 -22.512 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.708 -24.785 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.249 -24.749 -1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.722 -24.596 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.938 -25.532 0.925 1.00 0.00 H new ATOM 68 N ILE A 5 11.942 -19.972 1.178 1.00 0.00 N ATOM 69 CA ILE A 5 11.703 -18.850 2.107 1.00 0.00 C ATOM 70 C ILE A 5 11.090 -17.670 1.366 1.00 0.00 C ATOM 71 O ILE A 5 11.164 -17.585 0.138 1.00 0.00 O ATOM 72 CB ILE A 5 13.020 -18.395 2.843 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.114 -17.975 1.816 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.521 -19.500 3.794 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.381 -17.390 2.409 1.00 0.00 C ATOM 0 H ILE A 5 12.585 -19.744 0.419 1.00 0.00 H new ATOM 0 HA ILE A 5 11.007 -19.206 2.867 1.00 0.00 H new ATOM 0 HB ILE A 5 12.792 -17.518 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.382 -18.848 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.683 -17.244 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.431 -19.166 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.756 -19.712 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.731 -20.404 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.073 -17.133 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.136 -16.493 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.846 -18.123 3.068 1.00 0.00 H new ATOM 87 N LYS A 6 10.479 -16.766 2.132 1.00 0.00 N ATOM 88 CA LYS A 6 9.833 -15.565 1.596 1.00 0.00 C ATOM 89 C LYS A 6 9.748 -14.480 2.682 1.00 0.00 C ATOM 90 O LYS A 6 9.489 -14.778 3.851 1.00 0.00 O ATOM 91 CB LYS A 6 8.435 -15.868 0.986 1.00 0.00 C ATOM 92 CG LYS A 6 7.300 -16.227 1.979 1.00 0.00 C ATOM 93 CD LYS A 6 7.502 -17.575 2.716 1.00 0.00 C ATOM 94 CE LYS A 6 7.554 -18.790 1.772 1.00 0.00 C ATOM 95 NZ LYS A 6 7.768 -20.057 2.524 1.00 0.00 N ATOM 0 H LYS A 6 10.417 -16.846 3.147 1.00 0.00 H new ATOM 0 HA LYS A 6 10.451 -15.194 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.120 -14.997 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.544 -16.693 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.215 -15.431 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.355 -16.261 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.428 -17.531 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.691 -17.714 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.624 -18.853 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.358 -18.655 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.723 -20.420 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.669 -19.877 3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.062 -20.761 2.227 1.00 0.00 H new ATOM 109 N ARG A 7 10.056 -13.239 2.290 1.00 0.00 N ATOM 110 CA ARG A 7 9.869 -12.044 3.118 1.00 0.00 C ATOM 111 C ARG A 7 8.540 -11.400 2.722 1.00 0.00 C ATOM 112 O ARG A 7 8.088 -11.555 1.579 1.00 0.00 O ATOM 113 CB ARG A 7 11.040 -11.025 2.939 1.00 0.00 C ATOM 114 CG ARG A 7 11.074 -9.932 4.033 1.00 0.00 C ATOM 115 CD ARG A 7 12.243 -8.944 3.890 1.00 0.00 C ATOM 116 NE ARG A 7 12.314 -8.042 5.053 1.00 0.00 N ATOM 117 CZ ARG A 7 13.430 -7.552 5.611 1.00 0.00 C ATOM 118 NH1 ARG A 7 14.637 -7.843 5.125 1.00 0.00 N ATOM 119 NH2 ARG A 7 13.328 -6.785 6.683 1.00 0.00 N ATOM 0 H ARG A 7 10.449 -13.034 1.372 1.00 0.00 H new ATOM 0 HA ARG A 7 9.860 -12.333 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.987 -11.565 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.952 -10.549 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.136 -9.377 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.134 -10.411 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.179 -9.494 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.121 -8.359 2.978 1.00 0.00 H new ATOM 0 HE ARG A 7 11.428 -7.763 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.726 -8.451 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.471 -7.458 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.410 -6.574 7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.168 -6.404 7.119 1.00 0.00 H new ATOM 133 N THR A 8 7.926 -10.657 3.640 1.00 0.00 N ATOM 134 CA THR A 8 6.608 -10.073 3.438 1.00 0.00 C ATOM 135 C THR A 8 6.673 -8.570 3.762 1.00 0.00 C ATOM 136 O THR A 8 6.795 -8.178 4.928 1.00 0.00 O ATOM 137 CB THR A 8 5.562 -10.800 4.340 1.00 0.00 C ATOM 138 OG1 THR A 8 5.573 -12.210 4.044 1.00 0.00 O ATOM 139 CG2 THR A 8 4.145 -10.253 4.139 1.00 0.00 C ATOM 0 H THR A 8 8.334 -10.444 4.550 1.00 0.00 H new ATOM 0 HA THR A 8 6.297 -10.196 2.400 1.00 0.00 H new ATOM 0 HB THR A 8 5.843 -10.623 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.918 -12.668 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.452 -10.790 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.126 -9.192 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.847 -10.388 3.099 1.00 0.00 H new ATOM 147 N GLN A 9 6.656 -7.743 2.710 1.00 0.00 N ATOM 148 CA GLN A 9 6.573 -6.287 2.826 1.00 0.00 C ATOM 149 C GLN A 9 5.132 -5.871 2.589 1.00 0.00 C ATOM 150 O GLN A 9 4.659 -5.868 1.452 1.00 0.00 O ATOM 151 CB GLN A 9 7.507 -5.597 1.800 1.00 0.00 C ATOM 152 CG GLN A 9 7.550 -4.051 1.874 1.00 0.00 C ATOM 153 CD GLN A 9 8.288 -3.499 3.106 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.293 -4.091 4.186 1.00 0.00 O ATOM 155 NE2 GLN A 9 8.934 -2.363 2.941 1.00 0.00 N ATOM 0 H GLN A 9 6.700 -8.072 1.745 1.00 0.00 H new ATOM 0 HA GLN A 9 6.894 -5.981 3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.518 -5.979 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.194 -5.887 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.032 -3.669 0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.529 -3.670 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.915 -1.892 2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.454 -1.954 3.718 1.00 0.00 H new ATOM 164 N VAL A 10 4.415 -5.572 3.664 1.00 0.00 N ATOM 165 CA VAL A 10 3.038 -5.111 3.565 1.00 0.00 C ATOM 166 C VAL A 10 3.041 -3.573 3.488 1.00 0.00 C ATOM 167 O VAL A 10 3.538 -2.902 4.395 1.00 0.00 O ATOM 168 CB VAL A 10 2.148 -5.683 4.736 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.185 -7.227 4.735 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.531 -5.138 6.132 1.00 0.00 C ATOM 0 H VAL A 10 4.767 -5.641 4.619 1.00 0.00 H new ATOM 0 HA VAL A 10 2.578 -5.494 2.654 1.00 0.00 H new ATOM 0 HB VAL A 10 1.133 -5.337 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.566 -7.606 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.803 -7.599 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.212 -7.566 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.876 -5.576 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.566 -5.400 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.421 -4.054 6.142 1.00 0.00 H new ATOM 180 N VAL A 11 2.547 -3.008 2.364 1.00 0.00 N ATOM 181 CA VAL A 11 2.517 -1.546 2.185 1.00 0.00 C ATOM 182 C VAL A 11 1.184 -1.054 2.743 1.00 0.00 C ATOM 183 O VAL A 11 0.117 -1.292 2.167 1.00 0.00 O ATOM 184 CB VAL A 11 2.713 -1.108 0.681 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.567 0.429 0.505 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.091 -1.575 0.149 1.00 0.00 C ATOM 0 H VAL A 11 2.169 -3.537 1.578 1.00 0.00 H new ATOM 0 HA VAL A 11 3.353 -1.095 2.719 1.00 0.00 H new ATOM 0 HB VAL A 11 1.926 -1.589 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.709 0.690 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.572 0.739 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.318 0.937 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.205 -1.263 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.883 -1.130 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.155 -2.661 0.210 1.00 0.00 H new ATOM 196 N THR A 12 1.282 -0.399 3.911 1.00 0.00 N ATOM 197 CA THR A 12 0.134 -0.031 4.724 1.00 0.00 C ATOM 198 C THR A 12 -0.324 1.389 4.352 1.00 0.00 C ATOM 199 O THR A 12 0.303 2.389 4.723 1.00 0.00 O ATOM 200 CB THR A 12 0.535 -0.114 6.238 1.00 0.00 C ATOM 201 OG1 THR A 12 1.028 -1.437 6.530 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.635 0.206 7.181 1.00 0.00 C ATOM 0 H THR A 12 2.174 -0.111 4.313 1.00 0.00 H new ATOM 0 HA THR A 12 -0.694 -0.715 4.542 1.00 0.00 H new ATOM 0 HB THR A 12 1.307 0.636 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.281 -1.491 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.299 0.133 8.215 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.993 1.217 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.444 -0.505 7.011 1.00 0.00 H new ATOM 210 N GLN A 13 -1.405 1.431 3.569 1.00 0.00 N ATOM 211 CA GLN A 13 -2.066 2.659 3.147 1.00 0.00 C ATOM 212 C GLN A 13 -3.182 3.015 4.149 1.00 0.00 C ATOM 213 O GLN A 13 -4.229 2.360 4.184 1.00 0.00 O ATOM 214 CB GLN A 13 -2.635 2.489 1.711 1.00 0.00 C ATOM 215 CG GLN A 13 -3.394 3.720 1.169 1.00 0.00 C ATOM 216 CD GLN A 13 -3.949 3.567 -0.257 1.00 0.00 C ATOM 217 OE1 GLN A 13 -4.050 4.541 -0.995 1.00 0.00 O ATOM 218 NE2 GLN A 13 -4.332 2.365 -0.655 1.00 0.00 N ATOM 0 H GLN A 13 -1.852 0.590 3.205 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.345 3.476 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.813 2.259 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.307 1.631 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.222 3.943 1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.724 4.580 1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.240 1.567 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.719 2.237 -1.590 1.00 0.00 H new ATOM 227 N THR A 14 -2.926 4.031 4.988 1.00 0.00 N ATOM 228 CA THR A 14 -3.905 4.534 5.967 1.00 0.00 C ATOM 229 C THR A 14 -4.697 5.698 5.344 1.00 0.00 C ATOM 230 O THR A 14 -4.160 6.802 5.170 1.00 0.00 O ATOM 231 CB THR A 14 -3.195 4.992 7.290 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.216 6.005 7.015 1.00 0.00 O ATOM 233 CG2 THR A 14 -2.497 3.827 8.009 1.00 0.00 C ATOM 0 H THR A 14 -2.035 4.527 5.008 1.00 0.00 H new ATOM 0 HA THR A 14 -4.592 3.728 6.225 1.00 0.00 H new ATOM 0 HB THR A 14 -3.978 5.386 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.785 6.279 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.021 4.194 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.233 3.065 8.267 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.742 3.394 7.353 1.00 0.00 H new ATOM 241 N ILE A 15 -5.965 5.448 4.982 1.00 0.00 N ATOM 242 CA ILE A 15 -6.827 6.468 4.360 1.00 0.00 C ATOM 243 C ILE A 15 -7.735 7.142 5.387 1.00 0.00 C ATOM 244 O ILE A 15 -8.369 6.489 6.220 1.00 0.00 O ATOM 245 CB ILE A 15 -7.656 5.915 3.135 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.675 5.620 1.970 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.766 6.905 2.682 1.00 0.00 C ATOM 248 CD1 ILE A 15 -7.317 5.247 0.664 1.00 0.00 C ATOM 0 H ILE A 15 -6.419 4.544 5.110 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.154 7.226 3.958 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.165 5.001 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.052 6.500 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.011 4.810 2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.309 6.481 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.457 7.079 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.311 7.850 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.544 5.062 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.916 4.346 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.958 6.062 0.328 1.00 0.00 H new ATOM 260 N HIS A 16 -7.751 8.483 5.305 1.00 0.00 N ATOM 261 CA HIS A 16 -8.540 9.368 6.148 1.00 0.00 C ATOM 262 C HIS A 16 -9.530 10.102 5.229 1.00 0.00 C ATOM 263 O HIS A 16 -9.120 10.786 4.283 1.00 0.00 O ATOM 264 CB HIS A 16 -7.613 10.389 6.877 1.00 0.00 C ATOM 265 CG HIS A 16 -6.506 9.772 7.711 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.272 10.103 9.024 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.529 8.890 7.387 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.210 9.458 9.460 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.744 8.716 8.488 1.00 0.00 N ATOM 0 H HIS A 16 -7.190 8.990 4.620 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.071 8.803 6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.163 11.044 6.131 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.227 11.016 7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.396 8.411 6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.793 9.529 10.454 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.927 8.107 8.545 1.00 0.00 H new ATOM 278 N TYR A 17 -10.825 9.901 5.454 1.00 0.00 N ATOM 279 CA TYR A 17 -11.874 10.640 4.753 1.00 0.00 C ATOM 280 C TYR A 17 -12.118 11.920 5.554 1.00 0.00 C ATOM 281 O TYR A 17 -12.490 11.848 6.720 1.00 0.00 O ATOM 282 CB TYR A 17 -13.145 9.760 4.630 1.00 0.00 C ATOM 283 CG TYR A 17 -12.871 8.422 3.923 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.450 8.392 2.592 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.988 7.198 4.584 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.160 7.206 1.951 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.691 6.011 3.944 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.280 6.017 2.628 1.00 0.00 C ATOM 289 OH TYR A 17 -11.967 4.830 1.993 1.00 0.00 O ATOM 0 H TYR A 17 -11.178 9.221 6.127 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.586 10.900 3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.546 9.566 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.910 10.308 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.349 9.321 2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.316 7.179 5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.839 7.212 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.781 5.075 4.476 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.759 4.490 1.527 1.00 0.00 H new ATOM 299 N ARG A 18 -11.828 13.078 4.959 1.00 0.00 N ATOM 300 CA ARG A 18 -11.832 14.365 5.679 1.00 0.00 C ATOM 301 C ARG A 18 -12.266 15.499 4.748 1.00 0.00 C ATOM 302 O ARG A 18 -11.996 15.462 3.561 1.00 0.00 O ATOM 303 CB ARG A 18 -10.411 14.604 6.258 1.00 0.00 C ATOM 304 CG ARG A 18 -10.247 15.845 7.167 1.00 0.00 C ATOM 305 CD ARG A 18 -8.918 15.810 7.943 1.00 0.00 C ATOM 306 NE ARG A 18 -8.739 16.971 8.841 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.810 17.939 8.697 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.948 17.932 7.685 1.00 0.00 N ATOM 309 NH2 ARG A 18 -7.730 18.903 9.594 1.00 0.00 N ATOM 0 H ARG A 18 -11.585 13.157 3.972 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.550 14.340 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.119 13.721 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.712 14.693 5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.290 16.749 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.078 15.893 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.872 14.893 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.091 15.776 7.234 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.372 17.047 9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.979 17.183 6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.256 18.676 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.368 18.913 10.390 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.030 19.638 9.492 1.00 0.00 H new ATOM 323 N TYR A 19 -12.977 16.473 5.312 1.00 0.00 N ATOM 324 CA TYR A 19 -13.485 17.650 4.599 1.00 0.00 C ATOM 325 C TYR A 19 -12.375 18.703 4.408 1.00 0.00 C ATOM 326 O TYR A 19 -11.344 18.668 5.102 1.00 0.00 O ATOM 327 CB TYR A 19 -14.660 18.264 5.396 1.00 0.00 C ATOM 328 CG TYR A 19 -15.836 17.298 5.633 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.707 16.963 4.607 1.00 0.00 C ATOM 330 CD2 TYR A 19 -16.092 16.745 6.889 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.779 16.121 4.816 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.157 15.900 7.102 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.005 15.595 6.066 1.00 0.00 C ATOM 334 OH TYR A 19 -19.080 14.757 6.278 1.00 0.00 O ATOM 0 H TYR A 19 -13.224 16.468 6.302 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.830 17.338 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.288 18.610 6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.027 19.141 4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.542 17.371 3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.438 16.986 7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.440 15.875 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.325 15.478 8.082 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.094 14.473 7.216 1.00 0.00 H new ATOM 344 N GLU A 20 -12.618 19.653 3.477 1.00 0.00 N ATOM 345 CA GLU A 20 -11.762 20.845 3.285 1.00 0.00 C ATOM 346 C GLU A 20 -11.795 21.735 4.541 1.00 0.00 C ATOM 347 O GLU A 20 -10.826 22.429 4.854 1.00 0.00 O ATOM 348 CB GLU A 20 -12.227 21.668 2.049 1.00 0.00 C ATOM 349 CG GLU A 20 -13.674 22.228 2.147 1.00 0.00 C ATOM 350 CD GLU A 20 -13.935 23.407 1.193 1.00 0.00 C ATOM 351 OE1 GLU A 20 -13.246 24.441 1.318 1.00 0.00 O ATOM 352 OE2 GLU A 20 -14.830 23.325 0.335 1.00 0.00 O ATOM 0 H GLU A 20 -13.412 19.615 2.838 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.742 20.503 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.539 22.501 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.155 21.038 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.382 21.428 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.864 22.549 3.171 1.00 0.00 H new ATOM 359 N ASP A 21 -12.932 21.659 5.260 1.00 0.00 N ATOM 360 CA ASP A 21 -13.193 22.393 6.509 1.00 0.00 C ATOM 361 C ASP A 21 -12.228 21.977 7.637 1.00 0.00 C ATOM 362 O ASP A 21 -12.020 22.731 8.592 1.00 0.00 O ATOM 363 CB ASP A 21 -14.667 22.117 6.925 1.00 0.00 C ATOM 364 CG ASP A 21 -15.060 22.700 8.293 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.276 23.923 8.391 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.136 21.942 9.279 1.00 0.00 O ATOM 0 H ASP A 21 -13.714 21.068 4.978 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.031 23.458 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.330 22.529 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.832 21.040 6.942 1.00 0.00 H new ATOM 371 N GLY A 22 -11.614 20.796 7.499 1.00 0.00 N ATOM 372 CA GLY A 22 -10.740 20.241 8.531 1.00 0.00 C ATOM 373 C GLY A 22 -11.450 19.251 9.435 1.00 0.00 C ATOM 374 O GLY A 22 -10.803 18.582 10.248 1.00 0.00 O ATOM 0 H GLY A 22 -11.710 20.204 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.892 19.748 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.338 21.054 9.136 1.00 0.00 H new ATOM 378 N ALA A 23 -12.787 19.184 9.312 1.00 0.00 N ATOM 379 CA ALA A 23 -13.614 18.172 9.981 1.00 0.00 C ATOM 380 C ALA A 23 -13.342 16.803 9.364 1.00 0.00 C ATOM 381 O ALA A 23 -13.218 16.707 8.151 1.00 0.00 O ATOM 382 CB ALA A 23 -15.098 18.539 9.827 1.00 0.00 C ATOM 0 H ALA A 23 -13.325 19.836 8.741 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.366 18.138 11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.712 17.788 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.281 19.514 10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.356 18.576 8.769 1.00 0.00 H new ATOM 388 N VAL A 24 -13.240 15.758 10.182 1.00 0.00 N ATOM 389 CA VAL A 24 -13.018 14.395 9.684 1.00 0.00 C ATOM 390 C VAL A 24 -14.372 13.747 9.353 1.00 0.00 C ATOM 391 O VAL A 24 -15.270 13.699 10.202 1.00 0.00 O ATOM 392 CB VAL A 24 -12.228 13.509 10.708 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.900 12.119 10.107 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.940 14.220 11.177 1.00 0.00 C ATOM 0 H VAL A 24 -13.307 15.826 11.198 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.406 14.462 8.784 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.867 13.357 11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.352 11.526 10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.827 11.608 9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.290 12.244 9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.411 13.584 11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.299 14.416 10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.200 15.163 11.658 1.00 0.00 H new ATOM 404 N ALA A 25 -14.499 13.273 8.107 1.00 0.00 N ATOM 405 CA ALA A 25 -15.706 12.568 7.619 1.00 0.00 C ATOM 406 C ALA A 25 -15.769 11.138 8.180 1.00 0.00 C ATOM 407 O ALA A 25 -16.828 10.680 8.624 1.00 0.00 O ATOM 408 CB ALA A 25 -15.718 12.554 6.080 1.00 0.00 C ATOM 0 H ALA A 25 -13.768 13.365 7.401 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.589 13.101 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.609 12.034 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.725 13.578 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.829 12.040 5.714 1.00 0.00 H new ATOM 414 N HIS A 26 -14.609 10.461 8.153 1.00 0.00 N ATOM 415 CA HIS A 26 -14.437 9.096 8.659 1.00 0.00 C ATOM 416 C HIS A 26 -12.933 8.803 8.772 1.00 0.00 C ATOM 417 O HIS A 26 -12.216 8.827 7.768 1.00 0.00 O ATOM 418 CB HIS A 26 -15.110 8.055 7.727 1.00 0.00 C ATOM 419 CG HIS A 26 -15.202 6.672 8.322 1.00 0.00 C ATOM 420 ND1 HIS A 26 -16.335 6.204 8.942 1.00 0.00 N ATOM 421 CD2 HIS A 26 -14.293 5.668 8.405 1.00 0.00 C ATOM 422 CE1 HIS A 26 -16.126 4.979 9.377 1.00 0.00 C ATOM 423 NE2 HIS A 26 -14.894 4.631 9.064 1.00 0.00 N ATOM 0 H HIS A 26 -13.751 10.858 7.771 1.00 0.00 H new ATOM 0 HA HIS A 26 -14.915 9.019 9.635 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -16.113 8.400 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -14.550 8.002 6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -13.283 5.685 8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -16.842 4.364 9.901 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.459 3.734 9.278 1.00 0.00 H new ATOM 432 N ASP A 27 -12.472 8.516 9.992 1.00 0.00 N ATOM 433 CA ASP A 27 -11.046 8.233 10.275 1.00 0.00 C ATOM 434 C ASP A 27 -10.811 6.709 10.334 1.00 0.00 C ATOM 435 O ASP A 27 -11.773 5.940 10.467 1.00 0.00 O ATOM 436 CB ASP A 27 -10.637 8.928 11.611 1.00 0.00 C ATOM 437 CG ASP A 27 -9.117 9.052 11.815 1.00 0.00 C ATOM 438 OD1 ASP A 27 -8.423 9.524 10.892 1.00 0.00 O ATOM 439 OD2 ASP A 27 -8.605 8.720 12.903 1.00 0.00 O ATOM 0 H ASP A 27 -13.070 8.471 10.817 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.422 8.632 9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.079 9.924 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.060 8.367 12.444 1.00 0.00 H new ATOM 444 N ASP A 28 -9.530 6.297 10.212 1.00 0.00 N ATOM 445 CA ASP A 28 -9.078 4.888 10.329 1.00 0.00 C ATOM 446 C ASP A 28 -9.704 3.976 9.241 1.00 0.00 C ATOM 447 O ASP A 28 -10.624 3.198 9.519 1.00 0.00 O ATOM 448 CB ASP A 28 -9.328 4.297 11.763 1.00 0.00 C ATOM 449 CG ASP A 28 -8.700 5.130 12.899 1.00 0.00 C ATOM 450 OD1 ASP A 28 -7.462 5.104 13.053 1.00 0.00 O ATOM 451 OD2 ASP A 28 -9.436 5.810 13.644 1.00 0.00 O ATOM 0 H ASP A 28 -8.765 6.945 10.026 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.001 4.906 10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.402 4.221 11.932 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.927 3.284 11.803 1.00 0.00 H new ATOM 456 N HIS A 29 -9.230 4.107 7.989 1.00 0.00 N ATOM 457 CA HIS A 29 -9.598 3.195 6.884 1.00 0.00 C ATOM 458 C HIS A 29 -8.305 2.683 6.242 1.00 0.00 C ATOM 459 O HIS A 29 -7.815 3.232 5.250 1.00 0.00 O ATOM 460 CB HIS A 29 -10.508 3.902 5.842 1.00 0.00 C ATOM 461 CG HIS A 29 -11.075 2.987 4.769 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.376 2.537 4.779 1.00 0.00 N ATOM 463 CD2 HIS A 29 -10.513 2.456 3.652 1.00 0.00 C ATOM 464 CE1 HIS A 29 -12.585 1.777 3.727 1.00 0.00 C ATOM 465 NE2 HIS A 29 -11.473 1.708 3.024 1.00 0.00 N ATOM 0 H HIS A 29 -8.583 4.845 7.712 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.175 2.356 7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.335 4.380 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.936 4.695 5.359 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -13.070 2.759 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.495 2.598 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.516 1.289 3.479 1.00 0.00 H new ATOM 474 N VAL A 30 -7.743 1.642 6.846 1.00 0.00 N ATOM 475 CA VAL A 30 -6.416 1.132 6.501 1.00 0.00 C ATOM 476 C VAL A 30 -6.531 -0.136 5.641 1.00 0.00 C ATOM 477 O VAL A 30 -7.240 -1.076 6.006 1.00 0.00 O ATOM 478 CB VAL A 30 -5.593 0.820 7.802 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.127 0.495 7.469 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.683 1.984 8.818 1.00 0.00 C ATOM 0 H VAL A 30 -8.198 1.122 7.596 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.896 1.899 5.928 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.036 -0.062 8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.583 0.284 8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.087 -0.376 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.671 1.347 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.103 1.737 9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.285 2.893 8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.724 2.144 9.097 1.00 0.00 H new ATOM 490 N VAL A 31 -5.849 -0.127 4.491 1.00 0.00 N ATOM 491 CA VAL A 31 -5.605 -1.316 3.667 1.00 0.00 C ATOM 492 C VAL A 31 -4.087 -1.549 3.606 1.00 0.00 C ATOM 493 O VAL A 31 -3.323 -0.599 3.423 1.00 0.00 O ATOM 494 CB VAL A 31 -6.199 -1.159 2.213 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.658 0.104 1.504 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.956 -2.431 1.353 1.00 0.00 C ATOM 0 H VAL A 31 -5.443 0.723 4.099 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.107 -2.172 4.118 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.276 -1.036 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.091 0.175 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.928 0.989 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.573 0.040 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.379 -2.285 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.885 -2.614 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.434 -3.288 1.828 1.00 0.00 H new ATOM 506 N SER A 32 -3.645 -2.791 3.781 1.00 0.00 N ATOM 507 CA SER A 32 -2.225 -3.153 3.706 1.00 0.00 C ATOM 508 C SER A 32 -2.075 -4.352 2.771 1.00 0.00 C ATOM 509 O SER A 32 -2.764 -5.366 2.936 1.00 0.00 O ATOM 510 CB SER A 32 -1.689 -3.450 5.123 1.00 0.00 C ATOM 511 OG SER A 32 -0.300 -3.687 5.115 1.00 0.00 O ATOM 0 H SER A 32 -4.260 -3.580 3.980 1.00 0.00 H new ATOM 0 HA SER A 32 -1.636 -2.329 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.911 -2.609 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.204 -4.319 5.532 1.00 0.00 H new ATOM 0 HG SER A 32 0.161 -2.947 5.562 1.00 0.00 H new ATOM 517 N LEU A 33 -1.179 -4.227 1.781 1.00 0.00 N ATOM 518 CA LEU A 33 -1.034 -5.198 0.688 1.00 0.00 C ATOM 519 C LEU A 33 0.257 -5.985 0.838 1.00 0.00 C ATOM 520 O LEU A 33 1.326 -5.400 0.993 1.00 0.00 O ATOM 521 CB LEU A 33 -1.054 -4.481 -0.681 1.00 0.00 C ATOM 522 CG LEU A 33 -2.426 -3.904 -1.136 1.00 0.00 C ATOM 523 CD1 LEU A 33 -2.294 -3.269 -2.514 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.535 -4.980 -1.133 1.00 0.00 C ATOM 0 H LEU A 33 -0.530 -3.443 1.716 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.875 -5.890 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.332 -3.665 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.709 -5.183 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.721 -3.139 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.259 -2.868 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.562 -2.462 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.966 -4.021 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.475 -4.534 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.262 -5.786 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.651 -5.380 -0.126 1.00 0.00 H new ATOM 536 N ILE A 34 0.136 -7.307 0.728 1.00 0.00 N ATOM 537 CA ILE A 34 1.232 -8.249 0.927 1.00 0.00 C ATOM 538 C ILE A 34 2.073 -8.344 -0.361 1.00 0.00 C ATOM 539 O ILE A 34 1.579 -8.760 -1.416 1.00 0.00 O ATOM 540 CB ILE A 34 0.688 -9.682 1.356 1.00 0.00 C ATOM 541 CG1 ILE A 34 0.043 -9.658 2.796 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.789 -10.770 1.277 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.307 -8.965 2.914 1.00 0.00 C ATOM 0 H ILE A 34 -0.747 -7.761 0.493 1.00 0.00 H new ATOM 0 HA ILE A 34 1.863 -7.884 1.737 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.091 -9.941 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.068 -10.687 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.740 -9.169 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.373 -11.731 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.159 -10.840 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.610 -10.505 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.651 -9.011 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.209 -7.923 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.030 -9.464 2.269 1.00 0.00 H new ATOM 555 N PHE A 35 3.322 -7.865 -0.275 1.00 0.00 N ATOM 556 CA PHE A 35 4.344 -8.059 -1.309 1.00 0.00 C ATOM 557 C PHE A 35 5.331 -9.137 -0.825 1.00 0.00 C ATOM 558 O PHE A 35 6.150 -8.890 0.058 1.00 0.00 O ATOM 559 CB PHE A 35 5.072 -6.729 -1.628 1.00 0.00 C ATOM 560 CG PHE A 35 4.169 -5.665 -2.256 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.362 -4.839 -1.471 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.126 -5.489 -3.638 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.554 -3.874 -2.046 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.326 -4.520 -4.209 1.00 0.00 C ATOM 565 CZ PHE A 35 2.537 -3.712 -3.414 1.00 0.00 C ATOM 0 H PHE A 35 3.653 -7.326 0.525 1.00 0.00 H new ATOM 0 HA PHE A 35 3.873 -8.390 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.501 -6.331 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.902 -6.933 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.369 -4.955 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.729 -6.122 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.936 -3.247 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.317 -4.393 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.909 -2.956 -3.863 1.00 0.00 H new ATOM 575 N THR A 36 5.199 -10.346 -1.377 1.00 0.00 N ATOM 576 CA THR A 36 6.008 -11.513 -0.999 1.00 0.00 C ATOM 577 C THR A 36 7.266 -11.634 -1.889 1.00 0.00 C ATOM 578 O THR A 36 7.156 -11.957 -3.074 1.00 0.00 O ATOM 579 CB THR A 36 5.134 -12.800 -1.112 1.00 0.00 C ATOM 580 OG1 THR A 36 3.991 -12.661 -0.257 1.00 0.00 O ATOM 581 CG2 THR A 36 5.894 -14.074 -0.730 1.00 0.00 C ATOM 0 H THR A 36 4.518 -10.547 -2.110 1.00 0.00 H new ATOM 0 HA THR A 36 6.346 -11.389 0.030 1.00 0.00 H new ATOM 0 HB THR A 36 4.839 -12.903 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.434 -13.465 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.233 -14.935 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.752 -14.198 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.238 -13.997 0.301 1.00 0.00 H new ATOM 589 N GLN A 37 8.449 -11.326 -1.324 1.00 0.00 N ATOM 590 CA GLN A 37 9.739 -11.615 -1.977 1.00 0.00 C ATOM 591 C GLN A 37 10.177 -13.034 -1.636 1.00 0.00 C ATOM 592 O GLN A 37 10.572 -13.301 -0.510 1.00 0.00 O ATOM 593 CB GLN A 37 10.834 -10.615 -1.549 1.00 0.00 C ATOM 594 CG GLN A 37 12.237 -10.899 -2.135 1.00 0.00 C ATOM 595 CD GLN A 37 13.335 -9.961 -1.628 1.00 0.00 C ATOM 596 OE1 GLN A 37 14.306 -9.695 -2.334 1.00 0.00 O ATOM 597 NE2 GLN A 37 13.216 -9.471 -0.396 1.00 0.00 N ATOM 0 H GLN A 37 8.537 -10.875 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 37 9.600 -11.515 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.527 -9.612 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.903 -10.617 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.515 -11.926 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.186 -10.825 -3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.401 -9.707 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.940 -8.860 -0.018 1.00 0.00 H new ATOM 606 N SER A 38 10.101 -13.930 -2.608 1.00 0.00 N ATOM 607 CA SER A 38 10.521 -15.326 -2.440 1.00 0.00 C ATOM 608 C SER A 38 12.058 -15.477 -2.511 1.00 0.00 C ATOM 609 O SER A 38 12.784 -14.535 -2.879 1.00 0.00 O ATOM 610 CB SER A 38 9.831 -16.178 -3.512 1.00 0.00 C ATOM 611 OG SER A 38 10.027 -15.629 -4.805 1.00 0.00 O ATOM 0 H SER A 38 9.747 -13.716 -3.540 1.00 0.00 H new ATOM 0 HA SER A 38 10.224 -15.670 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.224 -17.194 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.764 -16.242 -3.299 1.00 0.00 H new ATOM 0 HG SER A 38 9.176 -15.283 -5.146 1.00 0.00 H new ATOM 617 N GLY A 39 12.525 -16.678 -2.151 1.00 0.00 N ATOM 618 CA GLY A 39 13.935 -17.026 -2.173 1.00 0.00 C ATOM 619 C GLY A 39 14.162 -18.457 -1.710 1.00 0.00 C ATOM 620 O GLY A 39 13.229 -19.276 -1.719 1.00 0.00 O ATOM 0 H GLY A 39 11.922 -17.437 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.326 -16.903 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.490 -16.342 -1.531 1.00 0.00 H new ATOM 624 N LYS A 40 15.394 -18.750 -1.275 1.00 0.00 N ATOM 625 CA LYS A 40 15.797 -20.082 -0.804 1.00 0.00 C ATOM 626 C LYS A 40 16.891 -19.939 0.270 1.00 0.00 C ATOM 627 O LYS A 40 17.711 -19.019 0.203 1.00 0.00 O ATOM 628 CB LYS A 40 16.237 -20.964 -2.013 1.00 0.00 C ATOM 629 CG LYS A 40 17.411 -20.442 -2.895 1.00 0.00 C ATOM 630 CD LYS A 40 18.811 -20.849 -2.363 1.00 0.00 C ATOM 631 CE LYS A 40 19.945 -20.473 -3.323 1.00 0.00 C ATOM 632 NZ LYS A 40 21.280 -20.871 -2.802 1.00 0.00 N ATOM 0 H LYS A 40 16.147 -18.063 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 40 14.954 -20.591 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.515 -21.946 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.370 -21.108 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.291 -20.823 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.355 -19.355 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.982 -20.368 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.830 -21.925 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.776 -20.952 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.931 -19.397 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.948 -20.083 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.202 -21.110 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.625 -21.699 -3.328 1.00 0.00 H new ATOM 646 N ARG A 41 16.884 -20.825 1.277 1.00 0.00 N ATOM 647 CA ARG A 41 17.812 -20.744 2.427 1.00 0.00 C ATOM 648 C ARG A 41 18.689 -22.002 2.502 1.00 0.00 C ATOM 649 O ARG A 41 18.163 -23.124 2.614 1.00 0.00 O ATOM 650 CB ARG A 41 17.020 -20.561 3.750 1.00 0.00 C ATOM 651 CG ARG A 41 17.883 -20.303 5.010 1.00 0.00 C ATOM 652 CD ARG A 41 17.047 -20.238 6.304 1.00 0.00 C ATOM 653 NE ARG A 41 15.983 -19.210 6.248 1.00 0.00 N ATOM 654 CZ ARG A 41 15.030 -19.030 7.178 1.00 0.00 C ATOM 655 NH1 ARG A 41 14.962 -19.797 8.257 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.133 -18.076 7.018 1.00 0.00 N ATOM 0 H ARG A 41 16.241 -21.615 1.322 1.00 0.00 H new ATOM 0 HA ARG A 41 18.460 -19.879 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.328 -19.728 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.417 -21.453 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.627 -21.094 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.427 -19.366 4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.595 -21.213 6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.706 -20.027 7.147 1.00 0.00 H new ATOM 0 HE ARG A 41 15.973 -18.589 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.643 -20.544 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.229 -19.640 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.165 -17.479 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.407 -17.935 7.721 1.00 0.00 H new ATOM 670 N ASP A 42 20.017 -21.794 2.409 1.00 0.00 N ATOM 671 CA ASP A 42 21.034 -22.836 2.619 1.00 0.00 C ATOM 672 C ASP A 42 21.128 -23.137 4.109 1.00 0.00 C ATOM 673 O ASP A 42 21.529 -22.270 4.876 1.00 0.00 O ATOM 674 CB ASP A 42 22.417 -22.361 2.080 1.00 0.00 C ATOM 675 CG ASP A 42 22.565 -22.459 0.554 1.00 0.00 C ATOM 676 OD1 ASP A 42 21.954 -21.651 -0.164 1.00 0.00 O ATOM 677 OD2 ASP A 42 23.309 -23.335 0.069 1.00 0.00 O ATOM 0 H ASP A 42 20.416 -20.883 2.182 1.00 0.00 H new ATOM 0 HA ASP A 42 20.749 -23.738 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.577 -21.326 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.201 -22.956 2.549 1.00 0.00 H new ATOM 682 N LEU A 43 20.742 -24.354 4.516 1.00 0.00 N ATOM 683 CA LEU A 43 20.709 -24.750 5.942 1.00 0.00 C ATOM 684 C LEU A 43 22.086 -25.201 6.458 1.00 0.00 C ATOM 685 O LEU A 43 22.254 -25.445 7.654 1.00 0.00 O ATOM 686 CB LEU A 43 19.631 -25.842 6.155 1.00 0.00 C ATOM 687 CG LEU A 43 18.183 -25.431 5.719 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.137 -26.493 6.099 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.803 -24.044 6.278 1.00 0.00 C ATOM 0 H LEU A 43 20.445 -25.091 3.876 1.00 0.00 H new ATOM 0 HA LEU A 43 20.443 -23.872 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.923 -26.734 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.614 -26.115 7.210 1.00 0.00 H new ATOM 0 HG LEU A 43 18.186 -25.365 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.150 -26.163 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.382 -27.436 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.137 -26.633 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.793 -23.787 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.844 -24.067 7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.503 -23.297 5.904 1.00 0.00 H new ATOM 701 N THR A 44 23.059 -25.306 5.549 1.00 0.00 N ATOM 702 CA THR A 44 24.457 -25.597 5.900 1.00 0.00 C ATOM 703 C THR A 44 25.125 -24.357 6.542 1.00 0.00 C ATOM 704 O THR A 44 25.764 -24.465 7.589 1.00 0.00 O ATOM 705 CB THR A 44 25.262 -26.107 4.646 1.00 0.00 C ATOM 706 OG1 THR A 44 26.669 -26.153 4.921 1.00 0.00 O ATOM 707 CG2 THR A 44 25.004 -25.257 3.387 1.00 0.00 C ATOM 0 H THR A 44 22.903 -25.192 4.548 1.00 0.00 H new ATOM 0 HA THR A 44 24.467 -26.400 6.637 1.00 0.00 H new ATOM 0 HB THR A 44 24.901 -27.115 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.147 -26.474 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.585 -25.654 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 44 23.943 -25.289 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.301 -24.226 3.577 1.00 0.00 H new ATOM 715 N ASN A 45 24.969 -23.180 5.905 1.00 0.00 N ATOM 716 CA ASN A 45 25.496 -21.895 6.438 1.00 0.00 C ATOM 717 C ASN A 45 24.426 -21.166 7.276 1.00 0.00 C ATOM 718 O ASN A 45 24.749 -20.379 8.170 1.00 0.00 O ATOM 719 CB ASN A 45 25.967 -20.986 5.273 1.00 0.00 C ATOM 720 CG ASN A 45 26.712 -19.723 5.735 1.00 0.00 C ATOM 721 OD1 ASN A 45 27.933 -19.717 5.852 1.00 0.00 O ATOM 722 ND2 ASN A 45 25.982 -18.652 6.022 1.00 0.00 N ATOM 0 H ASN A 45 24.480 -23.086 5.015 1.00 0.00 H new ATOM 0 HA ASN A 45 26.345 -22.117 7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.619 -21.562 4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.100 -20.690 4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 45 26.435 -17.798 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 45 24.968 -18.683 5.916 1.00 0.00 H new ATOM 729 N GLY A 46 23.152 -21.437 6.966 1.00 0.00 N ATOM 730 CA GLY A 46 22.021 -20.725 7.569 1.00 0.00 C ATOM 731 C GLY A 46 21.772 -19.374 6.902 1.00 0.00 C ATOM 732 O GLY A 46 21.203 -18.466 7.515 1.00 0.00 O ATOM 0 H GLY A 46 22.878 -22.153 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.123 -21.339 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.213 -20.575 8.631 1.00 0.00 H new ATOM 736 N LYS A 47 22.174 -19.265 5.625 1.00 0.00 N ATOM 737 CA LYS A 47 22.133 -18.001 4.856 1.00 0.00 C ATOM 738 C LYS A 47 20.837 -17.908 4.014 1.00 0.00 C ATOM 739 O LYS A 47 20.408 -18.903 3.413 1.00 0.00 O ATOM 740 CB LYS A 47 23.394 -17.890 3.951 1.00 0.00 C ATOM 741 CG LYS A 47 23.585 -19.065 2.977 1.00 0.00 C ATOM 742 CD LYS A 47 24.871 -18.993 2.113 1.00 0.00 C ATOM 743 CE LYS A 47 24.856 -17.875 1.051 1.00 0.00 C ATOM 744 NZ LYS A 47 25.080 -16.524 1.622 1.00 0.00 N ATOM 0 H LYS A 47 22.539 -20.053 5.090 1.00 0.00 H new ATOM 0 HA LYS A 47 22.132 -17.166 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.334 -16.965 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.276 -17.814 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.600 -19.993 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.721 -19.113 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.728 -18.844 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.014 -19.951 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.625 -18.080 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.898 -17.889 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.177 -16.010 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.470 -16.613 2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.751 -16.001 1.023 1.00 0.00 H new ATOM 758 N GLU A 48 20.218 -16.712 4.000 1.00 0.00 N ATOM 759 CA GLU A 48 18.988 -16.434 3.241 1.00 0.00 C ATOM 760 C GLU A 48 19.328 -15.744 1.924 1.00 0.00 C ATOM 761 O GLU A 48 19.824 -14.614 1.916 1.00 0.00 O ATOM 762 CB GLU A 48 18.024 -15.559 4.065 1.00 0.00 C ATOM 763 CG GLU A 48 17.432 -16.282 5.278 1.00 0.00 C ATOM 764 CD GLU A 48 16.318 -15.485 5.960 1.00 0.00 C ATOM 765 OE1 GLU A 48 16.622 -14.524 6.692 1.00 0.00 O ATOM 766 OE2 GLU A 48 15.134 -15.797 5.742 1.00 0.00 O ATOM 0 H GLU A 48 20.563 -15.905 4.521 1.00 0.00 H new ATOM 0 HA GLU A 48 18.494 -17.382 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.554 -14.669 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.212 -15.221 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.040 -17.249 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.225 -16.480 6.000 1.00 0.00 H new ATOM 773 N ILE A 49 19.065 -16.452 0.825 1.00 0.00 N ATOM 774 CA ILE A 49 19.304 -15.971 -0.545 1.00 0.00 C ATOM 775 C ILE A 49 17.973 -15.488 -1.119 1.00 0.00 C ATOM 776 O ILE A 49 17.063 -16.287 -1.348 1.00 0.00 O ATOM 777 CB ILE A 49 19.918 -17.069 -1.512 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.270 -17.645 -0.966 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.122 -16.498 -2.946 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.143 -18.584 0.216 1.00 0.00 C ATOM 0 H ILE A 49 18.673 -17.393 0.858 1.00 0.00 H new ATOM 0 HA ILE A 49 20.041 -15.170 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 49 19.200 -17.888 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.775 -18.172 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.912 -16.812 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.544 -17.271 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.162 -16.175 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.803 -15.648 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.133 -18.926 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.672 -18.060 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.532 -19.442 -0.065 1.00 0.00 H new ATOM 792 N TRP A 50 17.853 -14.175 -1.299 1.00 0.00 N ATOM 793 CA TRP A 50 16.671 -13.547 -1.899 1.00 0.00 C ATOM 794 C TRP A 50 16.985 -13.232 -3.354 1.00 0.00 C ATOM 795 O TRP A 50 18.112 -12.806 -3.663 1.00 0.00 O ATOM 796 CB TRP A 50 16.307 -12.256 -1.119 1.00 0.00 C ATOM 797 CG TRP A 50 16.185 -12.505 0.359 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.093 -12.205 1.337 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.110 -13.174 1.006 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.634 -12.639 2.549 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.412 -13.234 2.370 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.916 -13.716 0.551 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.561 -13.820 3.290 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.079 -14.298 1.457 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.399 -14.349 2.819 1.00 0.00 C ATOM 0 H TRP A 50 18.577 -13.509 -1.032 1.00 0.00 H new ATOM 0 HA TRP A 50 15.815 -14.220 -1.850 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.070 -11.498 -1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.366 -11.857 -1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.034 -11.700 1.175 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.120 -12.537 3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.656 -13.678 -0.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.809 -13.856 4.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.149 -14.729 1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.711 -14.817 3.508 1.00 0.00 H new ATOM 816 N ASP A 51 16.013 -13.465 -4.247 1.00 0.00 N ATOM 817 CA ASP A 51 16.159 -13.130 -5.664 1.00 0.00 C ATOM 818 C ASP A 51 16.196 -11.591 -5.787 1.00 0.00 C ATOM 819 O ASP A 51 15.196 -10.927 -5.537 1.00 0.00 O ATOM 820 CB ASP A 51 15.002 -13.751 -6.490 1.00 0.00 C ATOM 821 CG ASP A 51 15.246 -13.707 -8.014 1.00 0.00 C ATOM 822 OD1 ASP A 51 15.031 -12.655 -8.641 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.667 -14.730 -8.590 1.00 0.00 O ATOM 0 H ASP A 51 15.115 -13.886 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 51 17.084 -13.544 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.860 -14.787 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.077 -13.221 -6.262 1.00 0.00 H new ATOM 828 N SER A 52 17.374 -11.034 -6.100 1.00 0.00 N ATOM 829 CA SER A 52 17.595 -9.570 -6.134 1.00 0.00 C ATOM 830 C SER A 52 17.009 -8.917 -7.410 1.00 0.00 C ATOM 831 O SER A 52 16.941 -7.685 -7.514 1.00 0.00 O ATOM 832 CB SER A 52 19.108 -9.274 -5.981 1.00 0.00 C ATOM 833 OG SER A 52 19.877 -9.970 -6.946 1.00 0.00 O ATOM 0 H SER A 52 18.203 -11.579 -6.337 1.00 0.00 H new ATOM 0 HA SER A 52 17.060 -9.122 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.281 -8.203 -6.081 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.435 -9.558 -4.981 1.00 0.00 H new ATOM 0 HG SER A 52 20.826 -9.759 -6.822 1.00 0.00 H new ATOM 839 N LYS A 53 16.585 -9.756 -8.376 1.00 0.00 N ATOM 840 CA LYS A 53 15.878 -9.304 -9.590 1.00 0.00 C ATOM 841 C LYS A 53 14.353 -9.460 -9.439 1.00 0.00 C ATOM 842 O LYS A 53 13.599 -9.139 -10.372 1.00 0.00 O ATOM 843 CB LYS A 53 16.368 -10.114 -10.816 1.00 0.00 C ATOM 844 CG LYS A 53 17.873 -9.970 -11.094 1.00 0.00 C ATOM 845 CD LYS A 53 18.333 -10.760 -12.340 1.00 0.00 C ATOM 846 CE LYS A 53 19.828 -10.559 -12.650 1.00 0.00 C ATOM 847 NZ LYS A 53 20.254 -11.273 -13.885 1.00 0.00 N ATOM 0 H LYS A 53 16.723 -10.766 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 53 16.099 -8.247 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 53 16.136 -11.168 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.813 -9.793 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.113 -8.915 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.433 -10.315 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.137 -11.821 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.742 -10.449 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.033 -9.494 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.422 -10.912 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 21.267 -11.107 -14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.085 -12.293 -13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.708 -10.919 -14.696 1.00 0.00 H new ATOM 861 N TRP A 54 13.914 -9.987 -8.278 1.00 0.00 N ATOM 862 CA TRP A 54 12.493 -10.215 -7.978 1.00 0.00 C ATOM 863 C TRP A 54 11.737 -8.880 -7.864 1.00 0.00 C ATOM 864 O TRP A 54 12.309 -7.849 -7.510 1.00 0.00 O ATOM 865 CB TRP A 54 12.342 -11.057 -6.675 1.00 0.00 C ATOM 866 CG TRP A 54 10.914 -11.311 -6.233 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.181 -10.571 -5.341 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.055 -12.372 -6.665 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.932 -11.113 -5.194 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.827 -12.218 -5.995 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.208 -13.441 -7.556 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.761 -13.090 -6.183 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.146 -14.304 -7.744 1.00 0.00 C ATOM 874 CH2 TRP A 54 7.935 -14.124 -7.061 1.00 0.00 C ATOM 0 H TRP A 54 14.540 -10.266 -7.522 1.00 0.00 H new ATOM 0 HA TRP A 54 12.052 -10.778 -8.801 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.836 -12.017 -6.823 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.870 -10.547 -5.869 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.537 -9.689 -4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.198 -10.751 -4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.138 -13.588 -8.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.829 -12.956 -5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.250 -15.132 -8.429 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.123 -14.816 -7.232 1.00 0.00 H new ATOM 885 N SER A 55 10.456 -8.929 -8.202 1.00 0.00 N ATOM 886 CA SER A 55 9.525 -7.822 -8.055 1.00 0.00 C ATOM 887 C SER A 55 8.132 -8.428 -7.859 1.00 0.00 C ATOM 888 O SER A 55 7.780 -9.404 -8.539 1.00 0.00 O ATOM 889 CB SER A 55 9.583 -6.904 -9.298 1.00 0.00 C ATOM 890 OG SER A 55 9.218 -7.598 -10.482 1.00 0.00 O ATOM 0 H SER A 55 10.025 -9.765 -8.597 1.00 0.00 H new ATOM 0 HA SER A 55 9.781 -7.200 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.916 -6.054 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.591 -6.503 -9.407 1.00 0.00 H new ATOM 0 HG SER A 55 9.264 -6.987 -11.247 1.00 0.00 H new ATOM 896 N LEU A 56 7.369 -7.893 -6.906 1.00 0.00 N ATOM 897 CA LEU A 56 6.015 -8.366 -6.598 1.00 0.00 C ATOM 898 C LEU A 56 5.020 -7.274 -7.015 1.00 0.00 C ATOM 899 O LEU A 56 5.136 -6.134 -6.570 1.00 0.00 O ATOM 900 CB LEU A 56 5.906 -8.711 -5.074 1.00 0.00 C ATOM 901 CG LEU A 56 4.746 -9.675 -4.628 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.335 -9.072 -4.806 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.868 -11.042 -5.325 1.00 0.00 C ATOM 0 H LEU A 56 7.673 -7.114 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 56 5.785 -9.278 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.851 -9.155 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.796 -7.776 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 56 4.868 -9.820 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.587 -9.794 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.249 -8.164 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.172 -8.832 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.054 -11.690 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.814 -10.906 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.822 -11.499 -5.064 1.00 0.00 H new ATOM 915 N THR A 57 4.059 -7.636 -7.872 1.00 0.00 N ATOM 916 CA THR A 57 2.972 -6.749 -8.300 1.00 0.00 C ATOM 917 C THR A 57 1.700 -7.091 -7.490 1.00 0.00 C ATOM 918 O THR A 57 1.301 -8.260 -7.427 1.00 0.00 O ATOM 919 CB THR A 57 2.711 -6.905 -9.834 1.00 0.00 C ATOM 920 OG1 THR A 57 3.955 -6.811 -10.550 1.00 0.00 O ATOM 921 CG2 THR A 57 1.748 -5.834 -10.376 1.00 0.00 C ATOM 0 H THR A 57 4.014 -8.564 -8.293 1.00 0.00 H new ATOM 0 HA THR A 57 3.250 -5.712 -8.115 1.00 0.00 H new ATOM 0 HB THR A 57 2.251 -7.882 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.259 -5.879 -10.557 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.599 -5.986 -11.445 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.790 -5.912 -9.862 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.171 -4.844 -10.206 1.00 0.00 H new ATOM 929 N GLN A 58 1.077 -6.079 -6.865 1.00 0.00 N ATOM 930 CA GLN A 58 -0.101 -6.255 -6.000 1.00 0.00 C ATOM 931 C GLN A 58 -1.085 -5.111 -6.270 1.00 0.00 C ATOM 932 O GLN A 58 -0.683 -3.938 -6.306 1.00 0.00 O ATOM 933 CB GLN A 58 0.331 -6.276 -4.512 1.00 0.00 C ATOM 934 CG GLN A 58 -0.755 -6.734 -3.526 1.00 0.00 C ATOM 935 CD GLN A 58 -1.121 -8.213 -3.649 1.00 0.00 C ATOM 936 OE1 GLN A 58 -2.271 -8.590 -3.446 1.00 0.00 O ATOM 937 NE2 GLN A 58 -0.142 -9.067 -3.896 1.00 0.00 N ATOM 0 H GLN A 58 1.379 -5.108 -6.946 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.588 -7.205 -6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.194 -6.934 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.658 -5.275 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.415 -6.538 -2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.651 -6.134 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.804 -8.724 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.333 -10.069 -3.922 1.00 0.00 H new ATOM 946 N THR A 59 -2.364 -5.462 -6.456 1.00 0.00 N ATOM 947 CA THR A 59 -3.398 -4.527 -6.907 1.00 0.00 C ATOM 948 C THR A 59 -3.836 -3.562 -5.785 1.00 0.00 C ATOM 949 O THR A 59 -4.526 -3.965 -4.842 1.00 0.00 O ATOM 950 CB THR A 59 -4.649 -5.307 -7.441 1.00 0.00 C ATOM 951 OG1 THR A 59 -4.229 -6.329 -8.358 1.00 0.00 O ATOM 952 CG2 THR A 59 -5.660 -4.378 -8.143 1.00 0.00 C ATOM 0 H THR A 59 -2.710 -6.408 -6.296 1.00 0.00 H new ATOM 0 HA THR A 59 -2.962 -3.935 -7.712 1.00 0.00 H new ATOM 0 HB THR A 59 -5.147 -5.751 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.013 -6.815 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.509 -4.964 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.008 -3.622 -7.440 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.178 -3.891 -8.991 1.00 0.00 H new ATOM 960 N PHE A 60 -3.386 -2.299 -5.871 1.00 0.00 N ATOM 961 CA PHE A 60 -4.010 -1.193 -5.140 1.00 0.00 C ATOM 962 C PHE A 60 -5.326 -0.882 -5.866 1.00 0.00 C ATOM 963 O PHE A 60 -5.329 -0.294 -6.952 1.00 0.00 O ATOM 964 CB PHE A 60 -3.075 0.058 -5.042 1.00 0.00 C ATOM 965 CG PHE A 60 -2.131 0.045 -3.835 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.584 0.456 -2.581 1.00 0.00 C ATOM 967 CD2 PHE A 60 -0.805 -0.385 -3.938 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.754 0.429 -1.477 1.00 0.00 C ATOM 969 CE2 PHE A 60 0.029 -0.407 -2.832 1.00 0.00 C ATOM 970 CZ PHE A 60 -0.449 0.003 -1.602 1.00 0.00 C ATOM 0 H PHE A 60 -2.588 -2.022 -6.443 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.199 -1.475 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.480 0.125 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.692 0.956 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.601 0.801 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.424 -0.706 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.128 0.742 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.050 -0.744 -2.931 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.200 -0.010 -0.739 1.00 0.00 H new ATOM 980 N GLU A 61 -6.418 -1.394 -5.296 1.00 0.00 N ATOM 981 CA GLU A 61 -7.776 -1.293 -5.861 1.00 0.00 C ATOM 982 C GLU A 61 -8.632 -0.333 -5.015 1.00 0.00 C ATOM 983 O GLU A 61 -8.337 -0.112 -3.834 1.00 0.00 O ATOM 984 CB GLU A 61 -8.415 -2.703 -5.961 1.00 0.00 C ATOM 985 CG GLU A 61 -8.258 -3.562 -4.699 1.00 0.00 C ATOM 986 CD GLU A 61 -8.953 -4.930 -4.824 1.00 0.00 C ATOM 987 OE1 GLU A 61 -10.152 -5.030 -4.501 1.00 0.00 O ATOM 988 OE2 GLU A 61 -8.315 -5.902 -5.278 1.00 0.00 O ATOM 0 H GLU A 61 -6.389 -1.901 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.722 -0.882 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.477 -2.592 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.969 -3.232 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.198 -3.714 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.671 -3.025 -3.845 1.00 0.00 H new ATOM 995 N ALA A 62 -9.690 0.206 -5.661 1.00 0.00 N ATOM 996 CA ALA A 62 -10.515 1.336 -5.183 1.00 0.00 C ATOM 997 C ALA A 62 -10.951 1.226 -3.713 1.00 0.00 C ATOM 998 O ALA A 62 -11.705 0.316 -3.353 1.00 0.00 O ATOM 999 CB ALA A 62 -11.763 1.465 -6.075 1.00 0.00 C ATOM 0 H ALA A 62 -10.004 -0.149 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.883 2.222 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.375 2.297 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.457 1.646 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.342 0.543 -6.026 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.461 2.157 -2.881 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.921 2.307 -1.491 1.00 0.00 C ATOM 1007 C LEU A 63 -12.219 3.136 -1.471 1.00 0.00 C ATOM 1008 O LEU A 63 -12.221 4.257 -1.998 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.835 2.970 -0.593 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.625 2.064 -0.181 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.108 0.763 0.472 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.663 1.802 -1.363 1.00 0.00 C ATOM 0 H LEU A 63 -9.738 2.824 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.113 1.315 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.446 3.843 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.317 3.331 0.316 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.048 2.609 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.248 0.153 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.688 0.997 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.732 0.212 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.840 1.170 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.202 1.301 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.267 2.750 -1.727 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.335 2.598 -0.871 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.668 3.249 -0.925 1.00 0.00 C ATOM 1026 C PRO A 64 -14.674 4.637 -0.237 1.00 0.00 C ATOM 1027 O PRO A 64 -14.694 4.730 0.987 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.602 2.228 -0.208 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.689 1.411 0.664 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.380 1.326 -0.089 1.00 0.00 C ATOM 0 HA PRO A 64 -14.988 3.463 -1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.362 2.737 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.127 1.600 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.552 1.881 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.103 0.419 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.532 1.244 0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.350 0.454 -0.742 1.00 0.00 H new ATOM 1038 N SER A 65 -14.598 5.701 -1.056 1.00 0.00 N ATOM 1039 CA SER A 65 -14.687 7.093 -0.602 1.00 0.00 C ATOM 1040 C SER A 65 -16.177 7.489 -0.539 1.00 0.00 C ATOM 1041 O SER A 65 -16.790 7.657 -1.599 1.00 0.00 O ATOM 1042 CB SER A 65 -13.891 8.005 -1.578 1.00 0.00 C ATOM 1043 OG SER A 65 -13.989 9.383 -1.235 1.00 0.00 O ATOM 0 H SER A 65 -14.471 5.613 -2.064 1.00 0.00 H new ATOM 0 HA SER A 65 -14.252 7.210 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.843 7.707 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.262 7.859 -2.592 1.00 0.00 H new ATOM 0 HG SER A 65 -14.300 9.468 -0.310 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.801 7.574 0.695 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.249 7.865 0.852 1.00 0.00 C ATOM 1051 C PRO A 66 -18.675 9.154 0.117 1.00 0.00 C ATOM 1052 O PRO A 66 -18.097 10.219 0.348 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.441 7.995 2.399 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.050 8.146 2.958 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.152 7.374 2.020 1.00 0.00 C ATOM 0 HA PRO A 66 -18.871 7.085 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.061 8.856 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.937 7.116 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.758 9.195 3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.990 7.752 3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.132 7.757 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.099 6.319 2.289 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.651 9.031 -0.811 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.249 10.191 -1.487 1.00 0.00 C ATOM 1065 C VAL A 67 -21.099 10.954 -0.459 1.00 0.00 C ATOM 1066 O VAL A 67 -22.160 10.479 -0.032 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.137 9.784 -2.726 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -21.660 11.032 -3.489 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.372 8.837 -3.681 1.00 0.00 C ATOM 0 H VAL A 67 -20.038 8.134 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.445 10.815 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.001 9.245 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.268 10.713 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.265 11.642 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -20.815 11.619 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.012 8.576 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.475 9.336 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.089 7.931 -3.145 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.592 12.110 -0.040 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.217 12.945 0.987 1.00 0.00 C ATOM 1081 C ILE A 68 -22.025 14.041 0.308 1.00 0.00 C ATOM 1082 O ILE A 68 -21.581 14.647 -0.664 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.130 13.538 1.958 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.295 12.380 2.590 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.768 14.430 3.053 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.147 12.829 3.464 1.00 0.00 C ATOM 0 H ILE A 68 -19.724 12.500 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.890 12.341 1.596 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.463 14.176 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.961 11.753 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -18.900 11.756 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.987 14.821 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.298 15.259 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.468 13.838 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.626 11.956 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.454 13.429 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.531 13.426 4.291 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.229 14.250 0.830 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.224 15.132 0.246 1.00 0.00 C ATOM 1100 C ILE A 69 -23.824 16.590 0.550 1.00 0.00 C ATOM 1101 O ILE A 69 -23.699 16.975 1.718 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.660 14.770 0.811 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.184 13.358 0.309 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.707 15.857 0.450 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.270 12.146 0.452 1.00 0.00 C ATOM 0 H ILE A 69 -23.544 13.800 1.689 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.268 15.008 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.542 14.723 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -27.109 13.140 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.440 13.456 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.679 15.574 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.401 16.813 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.777 15.949 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.775 11.262 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.351 12.315 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.030 11.994 1.504 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.585 17.374 -0.515 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.065 18.738 -0.391 1.00 0.00 C ATOM 1119 C GLY A 70 -21.544 18.802 -0.401 1.00 0.00 C ATOM 1120 O GLY A 70 -20.963 19.864 -0.153 1.00 0.00 O ATOM 0 H GLY A 70 -23.747 17.079 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.453 19.344 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.435 19.178 0.535 1.00 0.00 H new ATOM 1124 N TYR A 71 -20.888 17.657 -0.687 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.417 17.535 -0.703 1.00 0.00 C ATOM 1126 C TYR A 71 -18.950 16.630 -1.860 1.00 0.00 C ATOM 1127 O TYR A 71 -19.531 15.574 -2.116 1.00 0.00 O ATOM 1128 CB TYR A 71 -18.889 16.989 0.640 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.008 17.977 1.805 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.067 18.992 1.978 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.058 17.899 2.721 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -18.173 19.888 3.015 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -20.164 18.788 3.756 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.222 19.781 3.906 1.00 0.00 C ATOM 1135 OH TYR A 71 -19.332 20.683 4.935 1.00 0.00 O ATOM 0 H TYR A 71 -21.369 16.787 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.008 18.534 -0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.436 16.080 0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.842 16.709 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.242 19.075 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -20.801 17.123 2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -17.439 20.672 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -20.985 18.711 4.454 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.124 20.472 5.472 1.00 0.00 H new ATOM 1145 N THR A 72 -17.896 17.072 -2.547 1.00 0.00 N ATOM 1146 CA THR A 72 -17.273 16.352 -3.665 1.00 0.00 C ATOM 1147 C THR A 72 -15.811 16.035 -3.292 1.00 0.00 C ATOM 1148 O THR A 72 -15.059 16.944 -2.931 1.00 0.00 O ATOM 1149 CB THR A 72 -17.333 17.230 -4.963 1.00 0.00 C ATOM 1150 OG1 THR A 72 -18.660 17.717 -5.144 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.944 16.473 -6.230 1.00 0.00 C ATOM 0 H THR A 72 -17.439 17.960 -2.339 1.00 0.00 H new ATOM 0 HA THR A 72 -17.808 15.422 -3.858 1.00 0.00 H new ATOM 0 HB THR A 72 -16.613 18.035 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.870 18.364 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.008 17.142 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.923 16.103 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.622 15.632 -6.374 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.429 14.747 -3.356 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.061 14.291 -3.048 1.00 0.00 C ATOM 1161 C ALA A 73 -13.064 14.763 -4.130 1.00 0.00 C ATOM 1162 O ALA A 73 -13.370 14.727 -5.325 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.028 12.756 -2.908 1.00 0.00 C ATOM 0 H ALA A 73 -16.061 13.992 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.758 14.733 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.012 12.433 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.695 12.450 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.354 12.298 -3.842 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.876 15.211 -3.685 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.764 15.643 -4.560 1.00 0.00 C ATOM 1171 C ASP A 74 -10.167 14.440 -5.310 1.00 0.00 C ATOM 1172 O ASP A 74 -9.602 14.585 -6.395 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.668 16.346 -3.709 1.00 0.00 C ATOM 1174 CG ASP A 74 -10.024 17.764 -3.219 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -11.215 18.119 -3.142 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -9.099 18.536 -2.886 1.00 0.00 O ATOM 0 H ASP A 74 -11.655 15.285 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.150 16.347 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.450 15.723 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.753 16.402 -4.299 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.292 13.260 -4.688 1.00 0.00 N ATOM 1182 CA LYS A 75 -9.997 11.969 -5.312 1.00 0.00 C ATOM 1183 C LYS A 75 -11.042 10.937 -4.831 1.00 0.00 C ATOM 1184 O LYS A 75 -10.916 10.377 -3.737 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.526 11.476 -5.069 1.00 0.00 C ATOM 1186 CG LYS A 75 -7.999 11.508 -3.605 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.419 12.879 -3.189 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.176 13.275 -4.013 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.664 14.614 -3.629 1.00 0.00 N ATOM 0 H LYS A 75 -10.606 13.177 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.069 12.090 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.448 10.452 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.860 12.084 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.813 11.246 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.229 10.746 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.186 13.644 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.155 12.852 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.392 12.531 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.427 13.272 -5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.829 14.844 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.403 15.328 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.401 14.610 -2.623 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.150 10.729 -5.619 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.164 9.686 -5.310 1.00 0.00 C ATOM 1205 C PRO A 76 -12.656 8.265 -5.634 1.00 0.00 C ATOM 1206 O PRO A 76 -13.327 7.284 -5.335 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.349 10.082 -6.227 1.00 0.00 C ATOM 1208 CG PRO A 76 -13.698 10.733 -7.413 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.518 11.502 -6.850 1.00 0.00 C ATOM 0 HA PRO A 76 -13.422 9.648 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.932 9.210 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.031 10.766 -5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.372 9.989 -8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.392 11.398 -7.927 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.691 11.544 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.787 12.531 -6.612 1.00 0.00 H new ATOM 1217 N MET A 77 -11.460 8.178 -6.236 1.00 0.00 N ATOM 1218 CA MET A 77 -10.829 6.916 -6.644 1.00 0.00 C ATOM 1219 C MET A 77 -9.376 6.916 -6.149 1.00 0.00 C ATOM 1220 O MET A 77 -8.554 7.703 -6.625 1.00 0.00 O ATOM 1221 CB MET A 77 -10.889 6.782 -8.192 1.00 0.00 C ATOM 1222 CG MET A 77 -10.285 5.488 -8.761 1.00 0.00 C ATOM 1223 SD MET A 77 -11.191 4.019 -8.235 1.00 0.00 S ATOM 1224 CE MET A 77 -10.409 2.733 -9.214 1.00 0.00 C ATOM 0 H MET A 77 -10.895 8.998 -6.456 1.00 0.00 H new ATOM 0 HA MET A 77 -11.355 6.066 -6.209 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.931 6.846 -8.506 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.369 7.632 -8.635 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.282 5.539 -9.850 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.246 5.404 -8.443 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.175 2.129 -9.700 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.771 3.189 -9.971 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.805 2.099 -8.565 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.072 6.065 -5.161 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.714 5.928 -4.596 1.00 0.00 C ATOM 1236 C VAL A 78 -7.287 4.467 -4.735 1.00 0.00 C ATOM 1237 O VAL A 78 -8.031 3.566 -4.326 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.640 6.375 -3.090 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.186 6.341 -2.565 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.254 7.776 -2.902 1.00 0.00 C ATOM 0 H VAL A 78 -9.759 5.449 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.041 6.585 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.224 5.664 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.169 6.655 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.794 5.327 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.569 7.017 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.191 8.063 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.707 8.497 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.299 7.760 -3.212 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.090 4.252 -5.299 1.00 0.00 N ATOM 1251 CA GLY A 79 -5.662 2.937 -5.748 1.00 0.00 C ATOM 1252 C GLY A 79 -6.419 2.513 -7.007 1.00 0.00 C ATOM 1253 O GLY A 79 -7.386 1.758 -6.914 1.00 0.00 O ATOM 0 H GLY A 79 -5.400 4.987 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.591 2.949 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.829 2.207 -4.956 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.065 3.047 -8.210 1.00 0.00 N ATOM 1258 CA PRO A 80 -6.710 2.644 -9.473 1.00 0.00 C ATOM 1259 C PRO A 80 -5.934 1.585 -10.281 1.00 0.00 C ATOM 1260 O PRO A 80 -6.337 1.267 -11.407 1.00 0.00 O ATOM 1261 CB PRO A 80 -6.764 4.000 -10.209 1.00 0.00 C ATOM 1262 CG PRO A 80 -5.484 4.704 -9.813 1.00 0.00 C ATOM 1263 CD PRO A 80 -5.088 4.148 -8.441 1.00 0.00 C ATOM 0 HA PRO A 80 -7.670 2.151 -9.320 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.822 3.862 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.641 4.576 -9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.699 4.522 -10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.633 5.783 -9.766 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.062 3.780 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.154 4.911 -7.666 1.00 0.00 H new ATOM 1271 N ASP A 81 -4.860 1.008 -9.712 1.00 0.00 N ATOM 1272 CA ASP A 81 -3.944 0.155 -10.496 1.00 0.00 C ATOM 1273 C ASP A 81 -3.058 -0.738 -9.613 1.00 0.00 C ATOM 1274 O ASP A 81 -2.990 -0.594 -8.391 1.00 0.00 O ATOM 1275 CB ASP A 81 -3.054 1.020 -11.460 1.00 0.00 C ATOM 1276 CG ASP A 81 -2.078 1.972 -10.730 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -0.945 1.560 -10.405 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -2.445 3.136 -10.457 1.00 0.00 O ATOM 0 H ASP A 81 -4.606 1.113 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.575 -0.506 -11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.481 0.354 -12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.704 1.609 -12.107 1.00 0.00 H new ATOM 1283 N GLU A 82 -2.336 -1.622 -10.308 1.00 0.00 N ATOM 1284 CA GLU A 82 -1.397 -2.570 -9.702 1.00 0.00 C ATOM 1285 C GLU A 82 -0.038 -1.890 -9.518 1.00 0.00 C ATOM 1286 O GLU A 82 0.475 -1.264 -10.450 1.00 0.00 O ATOM 1287 CB GLU A 82 -1.264 -3.848 -10.561 1.00 0.00 C ATOM 1288 CG GLU A 82 -2.600 -4.565 -10.820 1.00 0.00 C ATOM 1289 CD GLU A 82 -2.435 -5.948 -11.476 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -2.226 -6.934 -10.744 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -2.509 -6.051 -12.715 1.00 0.00 O ATOM 0 H GLU A 82 -2.389 -1.700 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.779 -2.873 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.812 -3.586 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.582 -4.539 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.131 -4.680 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.221 -3.939 -11.460 1.00 0.00 H new ATOM 1298 N VAL A 83 0.520 -1.987 -8.301 1.00 0.00 N ATOM 1299 CA VAL A 83 1.830 -1.404 -7.943 1.00 0.00 C ATOM 1300 C VAL A 83 2.837 -2.530 -7.697 1.00 0.00 C ATOM 1301 O VAL A 83 2.496 -3.551 -7.108 1.00 0.00 O ATOM 1302 CB VAL A 83 1.717 -0.480 -6.674 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.092 0.100 -6.258 1.00 0.00 C ATOM 1304 CG2 VAL A 83 0.690 0.649 -6.926 1.00 0.00 C ATOM 0 H VAL A 83 0.072 -2.477 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 83 2.173 -0.784 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 83 1.367 -1.093 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.969 0.732 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.776 -0.716 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.499 0.693 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.620 1.282 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.011 1.249 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.286 0.212 -7.137 1.00 0.00 H new ATOM 1314 N THR A 84 4.073 -2.336 -8.156 1.00 0.00 N ATOM 1315 CA THR A 84 5.141 -3.323 -8.052 1.00 0.00 C ATOM 1316 C THR A 84 6.228 -2.822 -7.080 1.00 0.00 C ATOM 1317 O THR A 84 6.775 -1.741 -7.286 1.00 0.00 O ATOM 1318 CB THR A 84 5.752 -3.591 -9.465 1.00 0.00 C ATOM 1319 OG1 THR A 84 4.694 -3.923 -10.386 1.00 0.00 O ATOM 1320 CG2 THR A 84 6.785 -4.725 -9.450 1.00 0.00 C ATOM 0 H THR A 84 4.362 -1.474 -8.618 1.00 0.00 H new ATOM 0 HA THR A 84 4.733 -4.256 -7.664 1.00 0.00 H new ATOM 0 HB THR A 84 6.266 -2.682 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.074 -4.090 -11.274 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.179 -4.871 -10.456 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.600 -4.466 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.310 -5.645 -9.109 1.00 0.00 H new ATOM 1328 N VAL A 85 6.497 -3.587 -6.001 1.00 0.00 N ATOM 1329 CA VAL A 85 7.668 -3.372 -5.120 1.00 0.00 C ATOM 1330 C VAL A 85 8.780 -4.343 -5.558 1.00 0.00 C ATOM 1331 O VAL A 85 8.591 -5.562 -5.521 1.00 0.00 O ATOM 1332 CB VAL A 85 7.335 -3.591 -3.591 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.591 -3.435 -2.702 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.222 -2.634 -3.118 1.00 0.00 C ATOM 0 H VAL A 85 5.910 -4.371 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 85 7.985 -2.334 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 85 6.976 -4.615 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.320 -3.593 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.340 -4.170 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.000 -2.432 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.016 -2.809 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.545 -1.603 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.317 -2.813 -3.699 1.00 0.00 H new ATOM 1344 N ASP A 86 9.925 -3.796 -5.980 1.00 0.00 N ATOM 1345 CA ASP A 86 11.071 -4.582 -6.463 1.00 0.00 C ATOM 1346 C ASP A 86 12.010 -4.845 -5.283 1.00 0.00 C ATOM 1347 O ASP A 86 11.990 -4.088 -4.317 1.00 0.00 O ATOM 1348 CB ASP A 86 11.787 -3.808 -7.600 1.00 0.00 C ATOM 1349 CG ASP A 86 12.866 -4.628 -8.343 1.00 0.00 C ATOM 1350 OD1 ASP A 86 14.023 -4.695 -7.873 1.00 0.00 O ATOM 1351 OD2 ASP A 86 12.563 -5.189 -9.410 1.00 0.00 O ATOM 0 H ASP A 86 10.086 -2.789 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 86 10.742 -5.539 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.042 -3.472 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.250 -2.915 -7.181 1.00 0.00 H new ATOM 1356 N SER A 87 12.836 -5.895 -5.382 1.00 0.00 N ATOM 1357 CA SER A 87 13.746 -6.323 -4.308 1.00 0.00 C ATOM 1358 C SER A 87 14.738 -5.213 -3.898 1.00 0.00 C ATOM 1359 O SER A 87 15.074 -5.087 -2.720 1.00 0.00 O ATOM 1360 CB SER A 87 14.498 -7.584 -4.750 1.00 0.00 C ATOM 1361 OG SER A 87 13.586 -8.636 -4.983 1.00 0.00 O ATOM 0 H SER A 87 12.893 -6.478 -6.217 1.00 0.00 H new ATOM 0 HA SER A 87 13.144 -6.542 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.067 -7.378 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.215 -7.877 -3.983 1.00 0.00 H new ATOM 0 HG SER A 87 13.602 -9.257 -4.225 1.00 0.00 H new ATOM 1367 N LYS A 88 15.154 -4.387 -4.877 1.00 0.00 N ATOM 1368 CA LYS A 88 16.149 -3.309 -4.667 1.00 0.00 C ATOM 1369 C LYS A 88 15.572 -2.185 -3.779 1.00 0.00 C ATOM 1370 O LYS A 88 16.308 -1.508 -3.053 1.00 0.00 O ATOM 1371 CB LYS A 88 16.580 -2.745 -6.042 1.00 0.00 C ATOM 1372 CG LYS A 88 17.125 -3.818 -7.012 1.00 0.00 C ATOM 1373 CD LYS A 88 17.252 -3.299 -8.463 1.00 0.00 C ATOM 1374 CE LYS A 88 17.522 -4.432 -9.465 1.00 0.00 C ATOM 1375 NZ LYS A 88 16.481 -5.489 -9.381 1.00 0.00 N ATOM 0 H LYS A 88 14.812 -4.445 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 88 17.016 -3.722 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.727 -2.250 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.346 -1.984 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.101 -4.155 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.465 -4.685 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.335 -2.780 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.060 -2.569 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.550 -4.026 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.502 -4.868 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.280 -5.855 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.821 -6.264 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.612 -5.089 -8.973 1.00 0.00 H new ATOM 1389 N ASN A 89 14.249 -1.993 -3.866 1.00 0.00 N ATOM 1390 CA ASN A 89 13.494 -1.012 -3.050 1.00 0.00 C ATOM 1391 C ASN A 89 12.463 -1.744 -2.160 1.00 0.00 C ATOM 1392 O ASN A 89 11.452 -1.153 -1.759 1.00 0.00 O ATOM 1393 CB ASN A 89 12.798 0.022 -3.976 1.00 0.00 C ATOM 1394 CG ASN A 89 11.828 -0.628 -4.969 1.00 0.00 C ATOM 1395 OD1 ASN A 89 12.202 -0.960 -6.086 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.584 -0.837 -4.558 1.00 0.00 N ATOM 0 H ASN A 89 13.658 -2.518 -4.511 1.00 0.00 H new ATOM 0 HA ASN A 89 14.185 -0.477 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.256 0.743 -3.365 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.557 0.578 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.910 -1.285 -5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.301 -0.549 -3.621 1.00 0.00 H new ATOM 1403 N PHE A 90 12.720 -3.036 -1.861 1.00 0.00 N ATOM 1404 CA PHE A 90 11.786 -3.889 -1.091 1.00 0.00 C ATOM 1405 C PHE A 90 11.564 -3.359 0.333 1.00 0.00 C ATOM 1406 O PHE A 90 10.472 -3.466 0.870 1.00 0.00 O ATOM 1407 CB PHE A 90 12.268 -5.362 -1.058 1.00 0.00 C ATOM 1408 CG PHE A 90 11.191 -6.346 -0.611 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.140 -6.679 -1.474 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.200 -6.910 0.663 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.144 -7.545 -1.078 1.00 0.00 C ATOM 1412 CE2 PHE A 90 10.205 -7.775 1.054 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.180 -8.097 0.188 1.00 0.00 C ATOM 0 H PHE A 90 13.575 -3.515 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 90 10.827 -3.854 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.617 -5.644 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.123 -5.441 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.109 -6.251 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.996 -6.665 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.339 -7.791 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.226 -8.205 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.405 -8.781 0.500 1.00 0.00 H new ATOM 1423 N LEU A 91 12.613 -2.770 0.917 1.00 0.00 N ATOM 1424 CA LEU A 91 12.580 -2.188 2.272 1.00 0.00 C ATOM 1425 C LEU A 91 11.992 -0.759 2.266 1.00 0.00 C ATOM 1426 O LEU A 91 11.876 -0.130 3.320 1.00 0.00 O ATOM 1427 CB LEU A 91 14.021 -2.183 2.870 1.00 0.00 C ATOM 1428 CG LEU A 91 14.636 -3.579 3.255 1.00 0.00 C ATOM 1429 CD1 LEU A 91 13.693 -4.357 4.183 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.036 -4.430 2.023 1.00 0.00 C ATOM 0 H LEU A 91 13.521 -2.681 0.461 1.00 0.00 H new ATOM 0 HA LEU A 91 11.928 -2.803 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.686 -1.706 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.016 -1.557 3.762 1.00 0.00 H new ATOM 0 HG LEU A 91 15.561 -3.370 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.141 -5.318 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.527 -3.785 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.741 -4.521 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.453 -5.380 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.155 -4.617 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.781 -3.893 1.436 1.00 0.00 H new ATOM 1442 N ASP A 92 11.637 -0.259 1.078 1.00 0.00 N ATOM 1443 CA ASP A 92 11.094 1.100 0.885 1.00 0.00 C ATOM 1444 C ASP A 92 9.552 1.051 0.721 1.00 0.00 C ATOM 1445 O ASP A 92 8.975 -0.020 0.472 1.00 0.00 O ATOM 1446 CB ASP A 92 11.787 1.740 -0.360 1.00 0.00 C ATOM 1447 CG ASP A 92 11.451 3.219 -0.620 1.00 0.00 C ATOM 1448 OD1 ASP A 92 11.353 3.998 0.348 1.00 0.00 O ATOM 1449 OD2 ASP A 92 11.307 3.614 -1.793 1.00 0.00 O ATOM 0 H ASP A 92 11.718 -0.789 0.210 1.00 0.00 H new ATOM 0 HA ASP A 92 11.301 1.715 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.866 1.647 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.513 1.163 -1.243 1.00 0.00 H new ATOM 1454 N LYS A 93 8.902 2.217 0.891 1.00 0.00 N ATOM 1455 CA LYS A 93 7.436 2.368 0.781 1.00 0.00 C ATOM 1456 C LYS A 93 7.006 2.568 -0.690 1.00 0.00 C ATOM 1457 O LYS A 93 7.837 2.673 -1.587 1.00 0.00 O ATOM 1458 CB LYS A 93 6.955 3.594 1.626 1.00 0.00 C ATOM 1459 CG LYS A 93 7.350 4.976 1.032 1.00 0.00 C ATOM 1460 CD LYS A 93 6.918 6.181 1.898 1.00 0.00 C ATOM 1461 CE LYS A 93 7.638 6.253 3.259 1.00 0.00 C ATOM 1462 NZ LYS A 93 9.105 6.431 3.114 1.00 0.00 N ATOM 0 H LYS A 93 9.382 3.090 1.111 1.00 0.00 H new ATOM 0 HA LYS A 93 6.978 1.455 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.870 3.550 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.369 3.512 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.431 5.007 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.904 5.075 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.109 7.101 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.843 6.129 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.230 7.080 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.439 5.340 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.529 6.592 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.518 5.576 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.297 7.249 2.501 1.00 0.00 H new ATOM 1476 N GLN A 94 5.687 2.619 -0.916 1.00 0.00 N ATOM 1477 CA GLN A 94 5.089 3.100 -2.182 1.00 0.00 C ATOM 1478 C GLN A 94 4.153 4.278 -1.873 1.00 0.00 C ATOM 1479 O GLN A 94 4.075 5.257 -2.624 1.00 0.00 O ATOM 1480 CB GLN A 94 4.315 1.950 -2.885 1.00 0.00 C ATOM 1481 CG GLN A 94 5.191 0.747 -3.297 1.00 0.00 C ATOM 1482 CD GLN A 94 6.226 1.035 -4.405 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.759 2.135 -4.538 1.00 0.00 O ATOM 1484 NE2 GLN A 94 6.522 0.034 -5.210 1.00 0.00 N ATOM 0 H GLN A 94 4.995 2.327 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 94 5.876 3.433 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.528 1.598 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.826 2.348 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.719 0.384 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.538 -0.059 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.070 -0.872 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.203 0.165 -5.958 1.00 0.00 H new ATOM 1493 N ASN A 95 3.474 4.155 -0.727 1.00 0.00 N ATOM 1494 CA ASN A 95 2.484 5.114 -0.216 1.00 0.00 C ATOM 1495 C ASN A 95 2.110 4.690 1.206 1.00 0.00 C ATOM 1496 O ASN A 95 2.293 3.525 1.582 1.00 0.00 O ATOM 1497 CB ASN A 95 1.208 5.205 -1.116 1.00 0.00 C ATOM 1498 CG ASN A 95 0.435 3.885 -1.255 1.00 0.00 C ATOM 1499 OD1 ASN A 95 1.016 2.800 -1.278 1.00 0.00 O ATOM 1500 ND2 ASN A 95 -0.882 3.962 -1.348 1.00 0.00 N ATOM 0 H ASN A 95 3.602 3.356 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 95 2.926 6.110 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.540 5.961 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.502 5.546 -2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.437 3.111 -1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.342 4.872 -1.327 1.00 0.00 H new ATOM 1507 N ARG A 96 1.597 5.634 1.995 1.00 0.00 N ATOM 1508 CA ARG A 96 1.222 5.405 3.388 1.00 0.00 C ATOM 1509 C ARG A 96 -0.097 6.127 3.650 1.00 0.00 C ATOM 1510 O ARG A 96 -1.172 5.589 3.419 1.00 0.00 O ATOM 1511 CB ARG A 96 2.319 5.908 4.381 1.00 0.00 C ATOM 1512 CG ARG A 96 3.704 5.240 4.298 1.00 0.00 C ATOM 1513 CD ARG A 96 4.684 5.851 5.318 1.00 0.00 C ATOM 1514 NE ARG A 96 4.734 7.319 5.193 1.00 0.00 N ATOM 1515 CZ ARG A 96 5.292 8.169 6.065 1.00 0.00 C ATOM 1516 NH1 ARG A 96 5.877 7.736 7.173 1.00 0.00 N ATOM 1517 NH2 ARG A 96 5.211 9.463 5.829 1.00 0.00 N ATOM 0 H ARG A 96 1.429 6.589 1.680 1.00 0.00 H new ATOM 0 HA ARG A 96 1.116 4.333 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.451 6.979 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.942 5.778 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.605 4.170 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.106 5.355 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.378 5.579 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.680 5.436 5.164 1.00 0.00 H new ATOM 0 HE ARG A 96 4.303 7.726 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.909 6.737 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.295 8.402 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.730 9.800 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.629 10.127 6.480 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.001 7.399 4.034 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.123 8.139 4.583 1.00 0.00 C ATOM 1533 C GLU A 97 -1.749 8.981 3.466 1.00 0.00 C ATOM 1534 O GLU A 97 -1.134 9.933 2.964 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.623 8.964 5.803 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.734 9.446 6.766 1.00 0.00 C ATOM 1537 CD GLU A 97 -2.491 10.689 6.285 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.998 11.815 6.497 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -3.559 10.553 5.672 1.00 0.00 O ATOM 0 H GLU A 97 0.861 7.941 3.971 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.911 7.484 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.087 8.358 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.079 9.834 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.447 8.635 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.289 9.660 7.738 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.961 8.578 3.056 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.708 9.183 1.951 1.00 0.00 C ATOM 1548 C GLU A 98 -5.024 9.769 2.479 1.00 0.00 C ATOM 1549 O GLU A 98 -5.891 9.027 2.940 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.999 8.107 0.866 1.00 0.00 C ATOM 1551 CG GLU A 98 -2.752 7.392 0.306 1.00 0.00 C ATOM 1552 CD GLU A 98 -1.736 8.327 -0.374 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -2.152 9.197 -1.172 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -0.521 8.199 -0.125 1.00 0.00 O ATOM 0 H GLU A 98 -3.458 7.804 3.496 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.116 9.983 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.669 7.359 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.530 8.580 0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.254 6.865 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.072 6.638 -0.413 1.00 0.00 H new ATOM 1561 N THR A 99 -5.182 11.092 2.429 1.00 0.00 N ATOM 1562 CA THR A 99 -6.430 11.758 2.831 1.00 0.00 C ATOM 1563 C THR A 99 -7.169 12.250 1.587 1.00 0.00 C ATOM 1564 O THR A 99 -6.602 13.016 0.801 1.00 0.00 O ATOM 1565 CB THR A 99 -6.161 12.959 3.797 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.449 12.486 4.938 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.462 13.661 4.252 1.00 0.00 C ATOM 0 H THR A 99 -4.455 11.733 2.111 1.00 0.00 H new ATOM 0 HA THR A 99 -7.042 11.032 3.367 1.00 0.00 H new ATOM 0 HB THR A 99 -5.573 13.697 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.855 11.754 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.216 14.486 4.920 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.992 14.046 3.381 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.097 12.947 4.776 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.422 11.799 1.389 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.302 12.376 0.354 1.00 0.00 C ATOM 1577 C VAL A 100 -10.018 13.585 0.990 1.00 0.00 C ATOM 1578 O VAL A 100 -10.483 13.504 2.138 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.326 11.327 -0.265 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.652 9.956 -0.482 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.625 11.175 0.545 1.00 0.00 C ATOM 0 H VAL A 100 -8.846 11.043 1.927 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.700 12.689 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.620 11.736 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.374 9.258 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.811 10.068 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.294 9.572 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.272 10.444 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.387 10.838 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.137 12.136 0.595 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.040 14.722 0.282 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.632 15.972 0.793 1.00 0.00 C ATOM 1593 C ILE A 101 -11.997 16.233 0.138 1.00 0.00 C ATOM 1594 O ILE A 101 -12.108 16.298 -1.078 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.652 17.194 0.612 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.402 17.041 1.545 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.351 18.555 0.846 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.703 16.991 3.041 1.00 0.00 C ATOM 0 H ILE A 101 -9.651 14.805 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.794 15.855 1.864 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.320 17.186 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.872 16.130 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.725 17.874 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.631 19.362 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.167 18.672 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.747 18.591 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.771 16.884 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.202 17.912 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.352 16.141 3.253 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.036 16.350 0.975 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.405 16.638 0.547 1.00 0.00 C ATOM 1612 C TYR A 102 -14.649 18.147 0.558 1.00 0.00 C ATOM 1613 O TYR A 102 -14.741 18.765 1.624 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.405 15.925 1.481 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.287 14.406 1.465 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -15.852 13.657 0.431 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.600 13.725 2.465 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -15.731 12.290 0.406 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.476 12.363 2.435 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.043 11.646 1.410 1.00 0.00 C ATOM 1621 OH TYR A 102 -14.900 10.284 1.378 1.00 0.00 O ATOM 0 H TYR A 102 -12.944 16.245 1.985 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.549 16.270 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.253 16.281 2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.419 16.204 1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.391 14.159 -0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.157 14.281 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.174 11.721 -0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.933 11.852 3.216 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.144 10.021 1.944 1.00 0.00 H new ATOM 1631 N SER A 103 -14.756 18.728 -0.634 1.00 0.00 N ATOM 1632 CA SER A 103 -14.946 20.164 -0.824 1.00 0.00 C ATOM 1633 C SER A 103 -16.434 20.465 -1.060 1.00 0.00 C ATOM 1634 O SER A 103 -17.075 19.806 -1.881 1.00 0.00 O ATOM 1635 CB SER A 103 -14.090 20.648 -2.008 1.00 0.00 C ATOM 1636 OG SER A 103 -12.730 20.312 -1.811 1.00 0.00 O ATOM 0 H SER A 103 -14.712 18.206 -1.509 1.00 0.00 H new ATOM 0 HA SER A 103 -14.627 20.698 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.451 20.197 -2.933 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.191 21.728 -2.119 1.00 0.00 H new ATOM 0 HG SER A 103 -12.497 19.547 -2.378 1.00 0.00 H new ATOM 1642 N ALA A 104 -16.961 21.462 -0.325 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.366 21.870 -0.384 1.00 0.00 C ATOM 1644 C ALA A 104 -18.734 22.383 -1.790 1.00 0.00 C ATOM 1645 O ALA A 104 -18.159 23.368 -2.272 1.00 0.00 O ATOM 1646 CB ALA A 104 -18.639 22.933 0.694 1.00 0.00 C ATOM 0 H ALA A 104 -16.410 22.011 0.334 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.997 21.004 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.685 23.236 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -18.423 22.517 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.002 23.800 0.519 1.00 0.00 H new ATOM 1652 N ASN A 105 -19.691 21.690 -2.425 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.146 21.950 -3.811 1.00 0.00 C ATOM 1654 C ASN A 105 -20.677 23.386 -3.974 1.00 0.00 C ATOM 1655 O ASN A 105 -21.186 23.964 -3.017 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.282 20.951 -4.182 1.00 0.00 C ATOM 1657 CG ASN A 105 -20.898 19.493 -4.090 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -20.044 19.127 -3.312 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -21.562 18.637 -4.842 1.00 0.00 N ATOM 0 H ASN A 105 -20.185 20.914 -1.984 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.289 21.821 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -22.133 21.130 -3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -21.614 21.161 -5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.362 17.639 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.276 18.973 -5.488 1.00 0.00 H new