USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 863 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 4 CYS SG : rot 146:sc= 0.224 USER MOD Set 1.2: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 20 CYS SG : rot 180:sc= 0.217 USER MOD Set 2.1: A 10 SER OG : rot 115:sc= -0.236 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.538 K(o=-0.77,f=-4.8!) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.097 (180deg=-0.463) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 159:sc= 0.329 USER MOD Single : A 8 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.1!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.228 USER MOD Single : A 15 HIS : no HE2:sc= -0.224 K(o=-0.22,f=-2) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -150:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.637 USER MOD Single : A 40 ASN : amide:sc= -4.38 K(o=-4.4,f=-7.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= -0.178 (180deg=-0.178) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -22:sc= 0.642 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00582 USER MOD Single : A 74 LYS NZ :NH3+ -116:sc= -0.307 (180deg=-1.88!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -158:sc= -6.87! (180deg=-8.74!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0897 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.023) USER MOD Single : A 88 MET CE :methyl 166:sc=-0.00455 (180deg=-0.225) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0295 (180deg=-0.231) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc=-0.00333 (180deg=-0.179) USER MOD Single : A 93 LYS NZ :NH3+ 152:sc= -0.178 (180deg=-0.705) USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.00666 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.941 K(o=-0.94,f=-1.5) USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= -0.363 (180deg=-1.32) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -130:sc= 0 USER MOD Single : A 110 MET CE :methyl 157:sc= -0.119 (180deg=-0.589) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.331 -0.092 1.028 1.00 0.00 N ATOM 2 CA MET A 1 -0.629 0.792 0.105 1.00 0.00 C ATOM 3 C MET A 1 -1.295 0.785 -1.267 1.00 0.00 C ATOM 4 O MET A 1 -0.902 0.029 -2.156 1.00 0.00 O ATOM 5 CB MET A 1 0.836 0.371 -0.024 1.00 0.00 C ATOM 6 CG MET A 1 1.771 1.520 -0.365 1.00 0.00 C ATOM 7 SD MET A 1 3.451 1.250 0.234 1.00 0.00 S ATOM 8 CE MET A 1 3.628 2.620 1.374 1.00 0.00 C ATOM 0 H1 MET A 1 -0.860 -0.071 1.955 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.315 0.226 1.133 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.319 -1.063 0.656 1.00 0.00 H new ATOM 0 HA MET A 1 -0.674 1.805 0.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.159 -0.083 0.913 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.919 -0.395 -0.795 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.793 1.657 -1.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.380 2.442 0.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.681 2.890 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.062 3.475 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.249 2.329 2.354 1.00 0.00 H new ATOM 18 N THR A 2 -2.305 1.633 -1.434 1.00 0.00 N ATOM 19 CA THR A 2 -3.027 1.723 -2.697 1.00 0.00 C ATOM 20 C THR A 2 -2.438 2.810 -3.589 1.00 0.00 C ATOM 21 O THR A 2 -2.601 4.002 -3.323 1.00 0.00 O ATOM 22 CB THR A 2 -4.522 2.015 -2.470 1.00 0.00 C ATOM 23 OG1 THR A 2 -4.959 1.410 -1.248 1.00 0.00 O ATOM 24 CG2 THR A 2 -5.357 1.489 -3.628 1.00 0.00 C ATOM 0 H THR A 2 -2.642 2.268 -0.710 1.00 0.00 H new ATOM 0 HA THR A 2 -2.925 0.756 -3.190 1.00 0.00 H new ATOM 0 HB THR A 2 -4.654 3.095 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.910 1.602 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.409 1.706 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.041 1.972 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.219 0.411 -3.716 1.00 0.00 H new ATOM 32 N LEU A 3 -1.754 2.393 -4.649 1.00 0.00 N ATOM 33 CA LEU A 3 -1.142 3.332 -5.582 1.00 0.00 C ATOM 34 C LEU A 3 -2.162 3.834 -6.599 1.00 0.00 C ATOM 35 O LEU A 3 -2.599 3.086 -7.475 1.00 0.00 O ATOM 36 CB LEU A 3 0.032 2.670 -6.305 1.00 0.00 C ATOM 37 CG LEU A 3 1.352 2.617 -5.534 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.341 1.695 -6.231 1.00 0.00 C ATOM 39 CD2 LEU A 3 1.937 4.014 -5.383 1.00 0.00 C ATOM 0 H LEU A 3 -1.609 1.411 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.776 4.186 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.255 1.651 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.202 3.201 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 3 1.154 2.218 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.274 1.670 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.924 0.690 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.535 2.064 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.876 3.958 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.120 4.440 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.235 4.646 -4.839 1.00 0.00 H new ATOM 51 N CYS A 4 -2.536 5.102 -6.477 1.00 0.00 N ATOM 52 CA CYS A 4 -3.505 5.705 -7.386 1.00 0.00 C ATOM 53 C CYS A 4 -3.123 7.145 -7.710 1.00 0.00 C ATOM 54 O CYS A 4 -2.314 7.756 -7.012 1.00 0.00 O ATOM 55 CB CYS A 4 -4.906 5.660 -6.775 1.00 0.00 C ATOM 56 SG CYS A 4 -4.986 6.256 -5.070 1.00 0.00 S ATOM 0 H CYS A 4 -2.183 5.733 -5.758 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.503 5.131 -8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.578 6.258 -7.390 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.272 4.634 -6.808 1.00 0.00 H new ATOM 0 HG CYS A 4 -6.120 6.861 -4.875 1.00 0.00 H new ATOM 62 N ALA A 5 -3.710 7.682 -8.775 1.00 0.00 N ATOM 63 CA ALA A 5 -3.432 9.051 -9.192 1.00 0.00 C ATOM 64 C ALA A 5 -4.699 9.900 -9.168 1.00 0.00 C ATOM 65 O ALA A 5 -5.810 9.375 -9.228 1.00 0.00 O ATOM 66 CB ALA A 5 -2.811 9.064 -10.581 1.00 0.00 C ATOM 0 H ALA A 5 -4.381 7.190 -9.365 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.723 9.483 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.609 10.093 -10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.878 8.500 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.500 8.609 -11.292 1.00 0.00 H new ATOM 72 N MET A 6 -4.523 11.214 -9.080 1.00 0.00 N ATOM 73 CA MET A 6 -5.653 12.136 -9.049 1.00 0.00 C ATOM 74 C MET A 6 -5.854 12.795 -10.409 1.00 0.00 C ATOM 75 O MET A 6 -4.893 13.218 -11.053 1.00 0.00 O ATOM 76 CB MET A 6 -5.437 13.206 -7.977 1.00 0.00 C ATOM 77 CG MET A 6 -5.999 12.826 -6.617 1.00 0.00 C ATOM 78 SD MET A 6 -5.168 11.397 -5.896 1.00 0.00 S ATOM 79 CE MET A 6 -6.490 10.698 -4.910 1.00 0.00 C ATOM 0 H MET A 6 -3.609 11.665 -9.029 1.00 0.00 H new ATOM 0 HA MET A 6 -6.549 11.565 -8.806 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.369 13.399 -7.878 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.900 14.136 -8.305 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.906 13.675 -5.940 1.00 0.00 H new ATOM 0 HG3 MET A 6 -7.063 12.611 -6.715 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.130 9.804 -4.400 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.819 11.429 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.327 10.435 -5.557 1.00 0.00 H new ATOM 89 N TYR A 7 -7.107 12.879 -10.841 1.00 0.00 N ATOM 90 CA TYR A 7 -7.434 13.485 -12.127 1.00 0.00 C ATOM 91 C TYR A 7 -8.491 14.573 -11.964 1.00 0.00 C ATOM 92 O TYR A 7 -9.666 14.284 -11.744 1.00 0.00 O ATOM 93 CB TYR A 7 -7.929 12.420 -13.106 1.00 0.00 C ATOM 94 CG TYR A 7 -7.694 12.774 -14.557 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.434 13.773 -15.177 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.731 12.110 -15.307 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.223 14.099 -16.503 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.512 12.430 -16.633 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.261 13.425 -17.226 1.00 0.00 C ATOM 100 OH TYR A 7 -7.046 13.748 -18.547 1.00 0.00 O ATOM 0 H TYR A 7 -7.914 12.535 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.528 13.941 -12.525 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.430 11.476 -12.886 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.996 12.261 -12.948 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.187 14.304 -14.613 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.143 11.330 -14.845 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.808 14.877 -16.971 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.759 11.904 -17.202 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.154 13.444 -18.817 1.00 0.00 H new ATOM 110 N ASN A 8 -8.062 15.827 -12.074 1.00 0.00 N ATOM 111 CA ASN A 8 -8.971 16.960 -11.939 1.00 0.00 C ATOM 112 C ASN A 8 -9.539 17.366 -13.295 1.00 0.00 C ATOM 113 O ASN A 8 -8.954 18.186 -14.003 1.00 0.00 O ATOM 114 CB ASN A 8 -8.247 18.147 -11.300 1.00 0.00 C ATOM 115 CG ASN A 8 -9.146 19.358 -11.149 1.00 0.00 C ATOM 116 OD1 ASN A 8 -10.340 19.230 -10.876 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.576 20.544 -11.327 1.00 0.00 N ATOM 0 H ASN A 8 -7.092 16.084 -12.256 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.797 16.657 -11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.869 17.854 -10.321 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.383 18.413 -11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.131 21.395 -11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.583 20.604 -11.552 1.00 0.00 H new ATOM 124 N ILE A 9 -10.681 16.787 -13.649 1.00 0.00 N ATOM 125 CA ILE A 9 -11.328 17.090 -14.920 1.00 0.00 C ATOM 126 C ILE A 9 -12.431 18.128 -14.741 1.00 0.00 C ATOM 127 O ILE A 9 -13.287 17.995 -13.866 1.00 0.00 O ATOM 128 CB ILE A 9 -11.929 15.825 -15.561 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.500 16.150 -16.943 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.005 15.235 -14.662 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.098 14.952 -17.647 1.00 0.00 C ATOM 0 H ILE A 9 -11.177 16.106 -13.074 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.558 17.491 -15.579 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.138 15.085 -15.680 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.265 16.919 -16.839 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.709 16.569 -17.565 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.420 14.342 -15.129 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.570 14.972 -13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.798 15.968 -14.514 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.483 15.257 -18.620 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.331 14.189 -17.783 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.911 14.545 -17.046 1.00 0.00 H new ATOM 143 N SER A 10 -12.405 19.161 -15.576 1.00 0.00 N ATOM 144 CA SER A 10 -13.401 20.224 -15.510 1.00 0.00 C ATOM 145 C SER A 10 -13.925 20.566 -16.901 1.00 0.00 C ATOM 146 O SER A 10 -13.202 21.119 -17.730 1.00 0.00 O ATOM 147 CB SER A 10 -12.803 21.472 -14.856 1.00 0.00 C ATOM 148 OG SER A 10 -11.852 21.123 -13.866 1.00 0.00 O ATOM 0 H SER A 10 -11.704 19.285 -16.307 1.00 0.00 H new ATOM 0 HA SER A 10 -14.235 19.869 -14.905 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.330 22.093 -15.616 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.598 22.068 -14.407 1.00 0.00 H new ATOM 0 HG SER A 10 -10.963 21.426 -14.145 1.00 0.00 H new ATOM 154 N MET A 11 -15.187 20.232 -17.150 1.00 0.00 N ATOM 155 CA MET A 11 -15.809 20.505 -18.440 1.00 0.00 C ATOM 156 C MET A 11 -15.972 22.005 -18.659 1.00 0.00 C ATOM 157 O MET A 11 -16.049 22.777 -17.704 1.00 0.00 O ATOM 158 CB MET A 11 -17.171 19.813 -18.530 1.00 0.00 C ATOM 159 CG MET A 11 -17.599 19.497 -19.954 1.00 0.00 C ATOM 160 SD MET A 11 -18.723 20.734 -20.631 1.00 0.00 S ATOM 161 CE MET A 11 -19.808 19.703 -21.615 1.00 0.00 C ATOM 0 H MET A 11 -15.799 19.772 -16.476 1.00 0.00 H new ATOM 0 HA MET A 11 -15.157 20.111 -19.220 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.138 18.887 -17.955 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.924 20.450 -18.066 1.00 0.00 H new ATOM 0 HG2 MET A 11 -16.715 19.429 -20.588 1.00 0.00 H new ATOM 0 HG3 MET A 11 -18.083 18.521 -19.976 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.561 20.325 -22.099 1.00 0.00 H new ATOM 0 HE2 MET A 11 -19.225 19.182 -22.374 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.299 18.974 -20.971 1.00 0.00 H new ATOM 171 N ALA A 12 -16.024 22.412 -19.923 1.00 0.00 N ATOM 172 CA ALA A 12 -16.180 23.820 -20.267 1.00 0.00 C ATOM 173 C ALA A 12 -17.371 24.434 -19.539 1.00 0.00 C ATOM 174 O ALA A 12 -18.523 24.174 -19.884 1.00 0.00 O ATOM 175 CB ALA A 12 -16.338 23.981 -21.772 1.00 0.00 C ATOM 0 H ALA A 12 -15.960 21.786 -20.726 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.281 24.348 -19.949 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.454 25.037 -22.015 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.454 23.588 -22.275 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.219 23.433 -22.106 1.00 0.00 H new ATOM 181 N GLY A 13 -17.085 25.251 -18.530 1.00 0.00 N ATOM 182 CA GLY A 13 -18.143 25.889 -17.769 1.00 0.00 C ATOM 183 C GLY A 13 -18.734 24.972 -16.717 1.00 0.00 C ATOM 184 O GLY A 13 -19.953 24.888 -16.571 1.00 0.00 O ATOM 0 H GLY A 13 -16.139 25.482 -18.226 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.750 26.784 -17.287 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.931 26.212 -18.449 1.00 0.00 H new ATOM 188 N SER A 14 -17.868 24.281 -15.982 1.00 0.00 N ATOM 189 CA SER A 14 -18.312 23.361 -14.941 1.00 0.00 C ATOM 190 C SER A 14 -17.244 23.205 -13.863 1.00 0.00 C ATOM 191 O SER A 14 -16.049 23.155 -14.158 1.00 0.00 O ATOM 192 CB SER A 14 -18.645 21.995 -15.546 1.00 0.00 C ATOM 193 OG SER A 14 -19.515 22.128 -16.657 1.00 0.00 O ATOM 0 H SER A 14 -16.855 24.341 -16.088 1.00 0.00 H new ATOM 0 HA SER A 14 -19.209 23.776 -14.482 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.726 21.498 -15.857 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.110 21.362 -14.790 1.00 0.00 H new ATOM 0 HG SER A 14 -19.711 21.242 -17.027 1.00 0.00 H new ATOM 199 N HIS A 15 -17.683 23.128 -12.611 1.00 0.00 N ATOM 200 CA HIS A 15 -16.766 22.977 -11.487 1.00 0.00 C ATOM 201 C HIS A 15 -15.807 21.813 -11.720 1.00 0.00 C ATOM 202 O HIS A 15 -16.085 20.893 -12.490 1.00 0.00 O ATOM 203 CB HIS A 15 -17.546 22.758 -10.190 1.00 0.00 C ATOM 204 CG HIS A 15 -18.661 21.768 -10.322 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.507 20.537 -10.925 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.953 21.831 -9.923 1.00 0.00 C ATOM 207 CE1 HIS A 15 -19.657 19.886 -10.893 1.00 0.00 C ATOM 208 NE2 HIS A 15 -20.551 20.650 -10.290 1.00 0.00 N ATOM 0 H HIS A 15 -18.668 23.168 -12.349 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.183 23.894 -11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -16.859 22.418 -9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.955 23.712 -9.856 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -17.641 20.184 -11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.426 22.656 -9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.836 18.898 -11.292 1.00 0.00 H new ATOM 216 N PRO A 16 -14.652 21.852 -11.041 1.00 0.00 N ATOM 217 CA PRO A 16 -13.629 20.808 -11.158 1.00 0.00 C ATOM 218 C PRO A 16 -14.069 19.492 -10.526 1.00 0.00 C ATOM 219 O PRO A 16 -14.696 19.478 -9.466 1.00 0.00 O ATOM 220 CB PRO A 16 -12.436 21.394 -10.398 1.00 0.00 C ATOM 221 CG PRO A 16 -13.038 22.351 -9.427 1.00 0.00 C ATOM 222 CD PRO A 16 -14.254 22.918 -10.105 1.00 0.00 C ATOM 0 HA PRO A 16 -13.412 20.565 -12.198 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.871 20.615 -9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.745 21.898 -11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.308 21.847 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.332 23.140 -9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.046 23.141 -9.390 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.026 23.847 -10.628 1.00 0.00 H new ATOM 230 N THR A 17 -13.736 18.385 -11.183 1.00 0.00 N ATOM 231 CA THR A 17 -14.098 17.064 -10.686 1.00 0.00 C ATOM 232 C THR A 17 -12.857 16.230 -10.389 1.00 0.00 C ATOM 233 O THR A 17 -12.051 15.956 -11.280 1.00 0.00 O ATOM 234 CB THR A 17 -14.982 16.307 -11.696 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.202 17.023 -11.912 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.293 14.904 -11.197 1.00 0.00 C ATOM 0 H THR A 17 -13.216 18.378 -12.061 1.00 0.00 H new ATOM 0 HA THR A 17 -14.660 17.215 -9.764 1.00 0.00 H new ATOM 0 HB THR A 17 -14.436 16.229 -12.636 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.757 16.536 -12.556 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.918 14.389 -11.926 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.363 14.352 -11.061 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.821 14.965 -10.245 1.00 0.00 H new ATOM 244 N THR A 18 -12.708 15.826 -9.131 1.00 0.00 N ATOM 245 CA THR A 18 -11.565 15.023 -8.716 1.00 0.00 C ATOM 246 C THR A 18 -11.845 13.535 -8.891 1.00 0.00 C ATOM 247 O THR A 18 -12.611 12.945 -8.129 1.00 0.00 O ATOM 248 CB THR A 18 -11.191 15.294 -7.246 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.547 16.635 -6.890 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.703 15.081 -7.018 1.00 0.00 C ATOM 0 H THR A 18 -13.365 16.042 -8.382 1.00 0.00 H new ATOM 0 HA THR A 18 -10.730 15.310 -9.355 1.00 0.00 H new ATOM 0 HB THR A 18 -11.742 14.593 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.308 16.799 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.463 15.278 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.441 14.052 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.136 15.760 -7.655 1.00 0.00 H new ATOM 258 N ILE A 19 -11.220 12.935 -9.898 1.00 0.00 N ATOM 259 CA ILE A 19 -11.402 11.515 -10.172 1.00 0.00 C ATOM 260 C ILE A 19 -10.159 10.718 -9.790 1.00 0.00 C ATOM 261 O ILE A 19 -9.073 10.951 -10.320 1.00 0.00 O ATOM 262 CB ILE A 19 -11.723 11.264 -11.657 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.758 12.274 -12.156 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.224 9.841 -11.857 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.121 12.098 -13.613 1.00 0.00 C ATOM 0 H ILE A 19 -10.583 13.410 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.245 11.182 -9.566 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.809 11.392 -12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.661 12.185 -11.552 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.372 13.282 -12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.447 9.679 -12.912 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.457 9.137 -11.535 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.128 9.687 -11.267 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.859 12.848 -13.897 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.228 12.216 -14.227 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.538 11.103 -13.766 1.00 0.00 H new ATOM 277 N CYS A 20 -10.328 9.776 -8.868 1.00 0.00 N ATOM 278 CA CYS A 20 -9.219 8.942 -8.416 1.00 0.00 C ATOM 279 C CYS A 20 -9.127 7.664 -9.243 1.00 0.00 C ATOM 280 O CYS A 20 -10.051 6.851 -9.254 1.00 0.00 O ATOM 281 CB CYS A 20 -9.386 8.595 -6.936 1.00 0.00 C ATOM 282 SG CYS A 20 -8.156 7.428 -6.308 1.00 0.00 S ATOM 0 H CYS A 20 -11.221 9.571 -8.419 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.295 9.506 -8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.333 9.513 -6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.380 8.176 -6.782 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.379 7.199 -5.048 1.00 0.00 H new ATOM 288 N VAL A 21 -8.005 7.494 -9.936 1.00 0.00 N ATOM 289 CA VAL A 21 -7.791 6.315 -10.767 1.00 0.00 C ATOM 290 C VAL A 21 -6.478 5.626 -10.415 1.00 0.00 C ATOM 291 O VAL A 21 -5.416 6.249 -10.421 1.00 0.00 O ATOM 292 CB VAL A 21 -7.784 6.678 -12.264 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.803 5.420 -13.118 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.964 7.578 -12.599 1.00 0.00 C ATOM 0 H VAL A 21 -7.231 8.158 -9.938 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.619 5.634 -10.570 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.866 7.224 -12.484 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.798 5.696 -14.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.923 4.817 -12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.702 4.844 -12.898 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.944 7.825 -13.661 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.894 7.061 -12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.901 8.494 -12.012 1.00 0.00 H new ATOM 304 N VAL A 22 -6.557 4.335 -10.110 1.00 0.00 N ATOM 305 CA VAL A 22 -5.373 3.559 -9.757 1.00 0.00 C ATOM 306 C VAL A 22 -4.280 3.715 -10.808 1.00 0.00 C ATOM 307 O VAL A 22 -4.564 3.837 -11.999 1.00 0.00 O ATOM 308 CB VAL A 22 -5.709 2.064 -9.600 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.599 1.841 -8.386 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.371 1.531 -10.862 1.00 0.00 C ATOM 0 H VAL A 22 -7.428 3.804 -10.100 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.014 3.946 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.780 1.515 -9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.826 0.779 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.083 2.183 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.526 2.401 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.601 0.473 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.292 2.083 -11.051 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.695 1.655 -11.708 1.00 0.00 H new ATOM 320 N MET A 23 -3.030 3.711 -10.358 1.00 0.00 N ATOM 321 CA MET A 23 -1.893 3.850 -11.261 1.00 0.00 C ATOM 322 C MET A 23 -1.890 2.741 -12.308 1.00 0.00 C ATOM 323 O MET A 23 -1.294 2.883 -13.375 1.00 0.00 O ATOM 324 CB MET A 23 -0.582 3.826 -10.472 1.00 0.00 C ATOM 325 CG MET A 23 -0.324 2.507 -9.762 1.00 0.00 C ATOM 326 SD MET A 23 1.432 2.185 -9.512 1.00 0.00 S ATOM 327 CE MET A 23 1.623 0.643 -10.403 1.00 0.00 C ATOM 0 H MET A 23 -2.778 3.613 -9.374 1.00 0.00 H new ATOM 0 HA MET A 23 -1.983 4.808 -11.773 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.245 4.031 -11.151 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.596 4.629 -9.735 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.829 2.514 -8.796 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.759 1.694 -10.344 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.660 0.313 -10.341 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.974 -0.114 -9.963 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.351 0.791 -11.448 1.00 0.00 H new ATOM 337 N ASP A 24 -2.560 1.637 -11.995 1.00 0.00 N ATOM 338 CA ASP A 24 -2.635 0.503 -12.909 1.00 0.00 C ATOM 339 C ASP A 24 -3.584 0.801 -14.066 1.00 0.00 C ATOM 340 O ASP A 24 -3.511 0.168 -15.120 1.00 0.00 O ATOM 341 CB ASP A 24 -3.097 -0.750 -12.164 1.00 0.00 C ATOM 342 CG ASP A 24 -2.856 -2.018 -12.960 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.892 -2.047 -13.752 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.633 -2.982 -12.791 1.00 0.00 O ATOM 0 H ASP A 24 -3.059 1.503 -11.115 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.639 0.328 -13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.572 -0.817 -11.211 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.160 -0.663 -11.937 1.00 0.00 H new ATOM 349 N ARG A 25 -4.474 1.766 -13.862 1.00 0.00 N ATOM 350 CA ARG A 25 -5.438 2.146 -14.888 1.00 0.00 C ATOM 351 C ARG A 25 -5.288 3.619 -15.257 1.00 0.00 C ATOM 352 O ARG A 25 -6.198 4.223 -15.825 1.00 0.00 O ATOM 353 CB ARG A 25 -6.863 1.873 -14.404 1.00 0.00 C ATOM 354 CG ARG A 25 -7.326 0.446 -14.646 1.00 0.00 C ATOM 355 CD ARG A 25 -6.505 -0.550 -13.842 1.00 0.00 C ATOM 356 NE ARG A 25 -7.184 -1.836 -13.706 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.248 -2.027 -12.935 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.753 -1.020 -12.235 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.811 -3.226 -12.863 1.00 0.00 N ATOM 0 H ARG A 25 -4.548 2.299 -12.996 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.241 1.545 -15.776 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.923 2.089 -13.337 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.546 2.558 -14.907 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.378 0.353 -14.377 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.247 0.212 -15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.540 -0.699 -14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.305 -0.139 -12.852 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.821 -2.631 -14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.324 -0.096 -12.288 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.570 -1.169 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.427 -4.003 -13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.628 -3.371 -12.270 1.00 0.00 H new ATOM 373 N PHE A 26 -4.133 4.191 -14.930 1.00 0.00 N ATOM 374 CA PHE A 26 -3.864 5.593 -15.226 1.00 0.00 C ATOM 375 C PHE A 26 -3.859 5.840 -16.731 1.00 0.00 C ATOM 376 O PHE A 26 -4.604 6.681 -17.237 1.00 0.00 O ATOM 377 CB PHE A 26 -2.522 6.014 -14.624 1.00 0.00 C ATOM 378 CG PHE A 26 -2.171 7.450 -14.889 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.575 7.822 -16.084 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.436 8.428 -13.945 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.250 9.143 -16.330 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.114 9.751 -14.186 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.521 10.108 -15.381 1.00 0.00 C ATOM 0 H PHE A 26 -3.369 3.705 -14.460 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.658 6.192 -14.780 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.547 5.847 -13.547 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.736 5.376 -15.027 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.362 7.072 -16.831 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.900 8.154 -13.009 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.784 9.420 -17.264 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.326 10.504 -13.441 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.270 11.141 -15.573 1.00 0.00 H new ATOM 393 N LEU A 27 -3.014 5.102 -17.443 1.00 0.00 N ATOM 394 CA LEU A 27 -2.911 5.241 -18.892 1.00 0.00 C ATOM 395 C LEU A 27 -4.270 5.044 -19.556 1.00 0.00 C ATOM 396 O LEU A 27 -4.704 5.871 -20.357 1.00 0.00 O ATOM 397 CB LEU A 27 -1.906 4.231 -19.450 1.00 0.00 C ATOM 398 CG LEU A 27 -1.736 4.223 -20.969 1.00 0.00 C ATOM 399 CD1 LEU A 27 -1.707 5.644 -21.510 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.469 3.476 -21.360 1.00 0.00 C ATOM 0 H LEU A 27 -2.391 4.402 -17.041 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.563 6.250 -19.112 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.934 4.427 -18.997 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.210 3.233 -19.133 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.589 3.706 -21.408 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.585 5.619 -22.593 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.641 6.147 -21.262 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.873 6.186 -21.064 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.364 3.480 -22.445 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.395 3.965 -20.910 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.529 2.447 -21.005 1.00 0.00 H new ATOM 412 N GLU A 28 -4.936 3.945 -19.216 1.00 0.00 N ATOM 413 CA GLU A 28 -6.246 3.641 -19.779 1.00 0.00 C ATOM 414 C GLU A 28 -7.231 4.774 -19.505 1.00 0.00 C ATOM 415 O GLU A 28 -7.989 5.178 -20.387 1.00 0.00 O ATOM 416 CB GLU A 28 -6.784 2.332 -19.199 1.00 0.00 C ATOM 417 CG GLU A 28 -5.837 1.156 -19.369 1.00 0.00 C ATOM 418 CD GLU A 28 -5.788 0.648 -20.798 1.00 0.00 C ATOM 419 OE1 GLU A 28 -5.313 1.396 -21.678 1.00 0.00 O ATOM 420 OE2 GLU A 28 -6.226 -0.497 -21.035 1.00 0.00 O ATOM 0 H GLU A 28 -4.590 3.251 -18.554 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.133 3.532 -20.858 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.989 2.472 -18.138 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.734 2.095 -19.679 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.835 1.453 -19.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.148 0.346 -18.710 1.00 0.00 H new ATOM 427 N SER A 29 -7.214 5.282 -18.277 1.00 0.00 N ATOM 428 CA SER A 29 -8.109 6.364 -17.885 1.00 0.00 C ATOM 429 C SER A 29 -7.937 7.571 -18.803 1.00 0.00 C ATOM 430 O SER A 29 -8.911 8.105 -19.335 1.00 0.00 O ATOM 431 CB SER A 29 -7.845 6.772 -16.434 1.00 0.00 C ATOM 432 OG SER A 29 -8.287 8.096 -16.188 1.00 0.00 O ATOM 0 H SER A 29 -6.590 4.962 -17.536 1.00 0.00 H new ATOM 0 HA SER A 29 -9.134 6.004 -17.974 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.356 6.084 -15.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.779 6.695 -16.220 1.00 0.00 H new ATOM 0 HG SER A 29 -7.730 8.503 -15.492 1.00 0.00 H new ATOM 438 N PHE A 30 -6.691 7.995 -18.985 1.00 0.00 N ATOM 439 CA PHE A 30 -6.389 9.138 -19.838 1.00 0.00 C ATOM 440 C PHE A 30 -6.848 8.884 -21.271 1.00 0.00 C ATOM 441 O PHE A 30 -7.421 9.763 -21.916 1.00 0.00 O ATOM 442 CB PHE A 30 -4.888 9.436 -19.817 1.00 0.00 C ATOM 443 CG PHE A 30 -4.537 10.784 -20.377 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.252 11.911 -20.006 1.00 0.00 C ATOM 445 CD2 PHE A 30 -3.491 10.925 -21.275 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.930 13.154 -20.519 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.165 12.165 -21.791 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.886 13.280 -21.414 1.00 0.00 C ATOM 0 H PHE A 30 -5.874 7.564 -18.553 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.929 10.001 -19.449 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.527 9.373 -18.790 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.365 8.668 -20.386 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.071 11.818 -19.308 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.924 10.056 -21.575 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.494 14.025 -20.220 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.346 12.262 -22.489 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.634 14.249 -21.818 1.00 0.00 H new ATOM 458 N SER A 31 -6.592 7.676 -21.763 1.00 0.00 N ATOM 459 CA SER A 31 -6.975 7.307 -23.120 1.00 0.00 C ATOM 460 C SER A 31 -8.472 7.505 -23.336 1.00 0.00 C ATOM 461 O SER A 31 -8.893 8.106 -24.323 1.00 0.00 O ATOM 462 CB SER A 31 -6.596 5.851 -23.401 1.00 0.00 C ATOM 463 OG SER A 31 -7.053 5.443 -24.679 1.00 0.00 O ATOM 0 H SER A 31 -6.121 6.936 -21.242 1.00 0.00 H new ATOM 0 HA SER A 31 -6.437 7.956 -23.812 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.514 5.736 -23.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.025 5.206 -22.635 1.00 0.00 H new ATOM 0 HG SER A 31 -6.797 4.510 -24.835 1.00 0.00 H new ATOM 469 N GLU A 32 -9.271 6.994 -22.403 1.00 0.00 N ATOM 470 CA GLU A 32 -10.721 7.114 -22.491 1.00 0.00 C ATOM 471 C GLU A 32 -11.167 8.545 -22.205 1.00 0.00 C ATOM 472 O GLU A 32 -12.186 9.006 -22.722 1.00 0.00 O ATOM 473 CB GLU A 32 -11.395 6.152 -21.511 1.00 0.00 C ATOM 474 CG GLU A 32 -11.019 4.697 -21.731 1.00 0.00 C ATOM 475 CD GLU A 32 -11.276 4.236 -23.152 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.304 4.644 -23.732 1.00 0.00 O ATOM 477 OE2 GLU A 32 -10.449 3.467 -23.685 1.00 0.00 O ATOM 0 H GLU A 32 -8.938 6.494 -21.579 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.020 6.855 -23.507 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.128 6.438 -20.493 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.476 6.256 -21.598 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.964 4.558 -21.493 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.586 4.071 -21.042 1.00 0.00 H new ATOM 484 N LEU A 33 -10.398 9.244 -21.377 1.00 0.00 N ATOM 485 CA LEU A 33 -10.712 10.623 -21.020 1.00 0.00 C ATOM 486 C LEU A 33 -10.730 11.515 -22.257 1.00 0.00 C ATOM 487 O LEU A 33 -11.681 12.265 -22.480 1.00 0.00 O ATOM 488 CB LEU A 33 -9.695 11.154 -20.009 1.00 0.00 C ATOM 489 CG LEU A 33 -10.164 12.314 -19.131 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.410 13.556 -19.974 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.421 11.930 -18.365 1.00 0.00 C ATOM 0 H LEU A 33 -9.552 8.878 -20.940 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.704 10.638 -20.569 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.395 10.332 -19.360 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.805 11.472 -20.552 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.378 12.539 -18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.743 14.371 -19.332 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.486 13.844 -20.476 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.177 13.344 -20.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.740 12.768 -17.745 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.213 11.677 -19.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.212 11.069 -17.730 1.00 0.00 H new ATOM 503 N TYR A 34 -9.675 11.427 -23.059 1.00 0.00 N ATOM 504 CA TYR A 34 -9.569 12.227 -24.273 1.00 0.00 C ATOM 505 C TYR A 34 -10.781 12.012 -25.175 1.00 0.00 C ATOM 506 O TYR A 34 -11.089 12.843 -26.028 1.00 0.00 O ATOM 507 CB TYR A 34 -8.287 11.875 -25.030 1.00 0.00 C ATOM 508 CG TYR A 34 -8.229 12.456 -26.425 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.233 13.831 -26.627 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.171 11.630 -27.541 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.181 14.366 -27.899 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.117 12.157 -28.817 1.00 0.00 C ATOM 513 CZ TYR A 34 -8.122 13.526 -28.991 1.00 0.00 C ATOM 514 OH TYR A 34 -8.070 14.054 -30.260 1.00 0.00 O ATOM 0 H TYR A 34 -8.881 10.810 -22.890 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.536 13.277 -23.984 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.429 12.232 -24.461 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.198 10.790 -25.093 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.278 14.493 -25.774 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.168 10.558 -27.409 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.187 15.437 -28.038 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.071 11.501 -29.674 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.031 13.327 -30.916 1.00 0.00 H new ATOM 524 N ASP A 35 -11.464 10.890 -24.978 1.00 0.00 N ATOM 525 CA ASP A 35 -12.644 10.564 -25.771 1.00 0.00 C ATOM 526 C ASP A 35 -13.899 11.176 -25.155 1.00 0.00 C ATOM 527 O ASP A 35 -14.676 11.842 -25.839 1.00 0.00 O ATOM 528 CB ASP A 35 -12.805 9.048 -25.886 1.00 0.00 C ATOM 529 CG ASP A 35 -12.550 8.544 -27.293 1.00 0.00 C ATOM 530 OD1 ASP A 35 -13.254 8.994 -28.221 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.647 7.699 -27.466 1.00 0.00 O ATOM 0 H ASP A 35 -11.221 10.191 -24.276 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.508 10.984 -26.768 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.116 8.559 -25.198 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.813 8.768 -25.580 1.00 0.00 H new ATOM 536 N ILE A 36 -14.090 10.944 -23.860 1.00 0.00 N ATOM 537 CA ILE A 36 -15.249 11.472 -23.153 1.00 0.00 C ATOM 538 C ILE A 36 -15.143 12.983 -22.975 1.00 0.00 C ATOM 539 O ILE A 36 -16.098 13.637 -22.554 1.00 0.00 O ATOM 540 CB ILE A 36 -15.413 10.813 -21.770 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.690 11.314 -21.091 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.198 11.097 -20.901 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.121 10.465 -19.916 1.00 0.00 C ATOM 0 H ILE A 36 -13.457 10.394 -23.280 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.123 11.241 -23.762 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.495 9.734 -21.905 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.534 12.338 -20.751 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.496 11.341 -21.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.329 10.625 -19.927 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.305 10.696 -21.382 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.088 12.174 -20.770 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.032 10.878 -19.483 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.309 9.446 -20.253 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.333 10.458 -19.163 1.00 0.00 H new ATOM 555 N ILE A 37 -13.977 13.531 -23.298 1.00 0.00 N ATOM 556 CA ILE A 37 -13.747 14.965 -23.176 1.00 0.00 C ATOM 557 C ILE A 37 -14.304 15.715 -24.382 1.00 0.00 C ATOM 558 O ILE A 37 -14.065 16.911 -24.546 1.00 0.00 O ATOM 559 CB ILE A 37 -12.248 15.285 -23.034 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.056 16.637 -22.343 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.574 15.281 -24.398 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.077 16.552 -20.833 1.00 0.00 C ATOM 0 H ILE A 37 -13.176 13.004 -23.646 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.266 15.293 -22.275 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.784 14.514 -22.419 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.106 17.067 -22.661 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.841 17.319 -22.671 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.515 15.509 -24.281 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.685 14.298 -24.856 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.039 16.033 -25.036 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.935 17.547 -20.411 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.036 16.152 -20.504 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.275 15.896 -20.494 1.00 0.00 H new ATOM 574 N ASP A 38 -15.048 15.004 -25.222 1.00 0.00 N ATOM 575 CA ASP A 38 -15.642 15.603 -26.412 1.00 0.00 C ATOM 576 C ASP A 38 -17.165 15.569 -26.335 1.00 0.00 C ATOM 577 O ASP A 38 -17.805 14.689 -26.909 1.00 0.00 O ATOM 578 CB ASP A 38 -15.166 14.872 -27.668 1.00 0.00 C ATOM 579 CG ASP A 38 -13.785 15.317 -28.108 1.00 0.00 C ATOM 580 OD1 ASP A 38 -12.952 15.624 -27.229 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.536 15.356 -29.331 1.00 0.00 O ATOM 0 H ASP A 38 -15.254 14.012 -25.101 1.00 0.00 H new ATOM 0 HA ASP A 38 -15.322 16.644 -26.463 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.155 13.799 -27.478 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.876 15.046 -28.477 1.00 0.00 H new ATOM 586 N GLU A 39 -17.738 16.533 -25.620 1.00 0.00 N ATOM 587 CA GLU A 39 -19.186 16.611 -25.467 1.00 0.00 C ATOM 588 C GLU A 39 -19.704 15.469 -24.596 1.00 0.00 C ATOM 589 O GLU A 39 -20.191 14.460 -25.103 1.00 0.00 O ATOM 590 CB GLU A 39 -19.869 16.572 -26.836 1.00 0.00 C ATOM 591 CG GLU A 39 -21.282 17.131 -26.828 1.00 0.00 C ATOM 592 CD GLU A 39 -21.312 18.637 -26.649 1.00 0.00 C ATOM 593 OE1 GLU A 39 -20.227 19.252 -26.612 1.00 0.00 O ATOM 594 OE2 GLU A 39 -22.423 19.199 -26.546 1.00 0.00 O ATOM 0 H GLU A 39 -17.222 17.269 -25.138 1.00 0.00 H new ATOM 0 HA GLU A 39 -19.423 17.555 -24.977 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -19.268 17.137 -27.549 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.897 15.541 -27.189 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -21.777 16.870 -27.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.850 16.662 -26.025 1.00 0.00 H new ATOM 601 N ASN A 40 -19.593 15.638 -23.283 1.00 0.00 N ATOM 602 CA ASN A 40 -20.048 14.623 -22.341 1.00 0.00 C ATOM 603 C ASN A 40 -20.874 15.250 -21.221 1.00 0.00 C ATOM 604 O ASN A 40 -20.375 15.474 -20.118 1.00 0.00 O ATOM 605 CB ASN A 40 -18.852 13.874 -21.749 1.00 0.00 C ATOM 606 CG ASN A 40 -19.249 12.966 -20.601 1.00 0.00 C ATOM 607 OD1 ASN A 40 -19.102 13.323 -19.432 1.00 0.00 O ATOM 608 ND2 ASN A 40 -19.756 11.783 -20.930 1.00 0.00 N ATOM 0 H ASN A 40 -19.192 16.468 -22.847 1.00 0.00 H new ATOM 0 HA ASN A 40 -20.679 13.918 -22.882 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -18.376 13.281 -22.530 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -18.112 14.594 -21.400 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -20.041 11.130 -20.200 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.860 11.528 -21.912 1.00 0.00 H new ATOM 615 N ASP A 41 -22.139 15.530 -21.513 1.00 0.00 N ATOM 616 CA ASP A 41 -23.035 16.130 -20.532 1.00 0.00 C ATOM 617 C ASP A 41 -22.919 15.422 -19.185 1.00 0.00 C ATOM 618 O ASP A 41 -22.533 14.255 -19.116 1.00 0.00 O ATOM 619 CB ASP A 41 -24.481 16.074 -21.028 1.00 0.00 C ATOM 620 CG ASP A 41 -24.774 17.128 -22.077 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.935 18.036 -22.258 1.00 0.00 O ATOM 622 OD2 ASP A 41 -25.842 17.045 -22.719 1.00 0.00 O ATOM 0 H ASP A 41 -22.567 15.351 -22.421 1.00 0.00 H new ATOM 0 HA ASP A 41 -22.744 17.172 -20.401 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -24.682 15.086 -21.443 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -25.157 16.208 -20.184 1.00 0.00 H new ATOM 627 N THR A 42 -23.255 16.137 -18.116 1.00 0.00 N ATOM 628 CA THR A 42 -23.186 15.578 -16.771 1.00 0.00 C ATOM 629 C THR A 42 -23.979 14.280 -16.674 1.00 0.00 C ATOM 630 O THR A 42 -23.689 13.426 -15.836 1.00 0.00 O ATOM 631 CB THR A 42 -23.720 16.572 -15.722 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.400 16.112 -14.404 1.00 0.00 O ATOM 633 CG2 THR A 42 -25.226 16.740 -15.854 1.00 0.00 C ATOM 0 H THR A 42 -23.577 17.104 -18.155 1.00 0.00 H new ATOM 0 HA THR A 42 -22.135 15.375 -16.566 1.00 0.00 H new ATOM 0 HB THR A 42 -23.246 17.538 -15.894 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.741 16.750 -13.743 1.00 0.00 H new ATOM 0 HG21 THR A 42 -25.581 17.446 -15.103 1.00 0.00 H new ATOM 0 HG22 THR A 42 -25.464 17.117 -16.848 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.714 15.777 -15.705 1.00 0.00 H new ATOM 641 N ASP A 43 -24.979 14.136 -17.536 1.00 0.00 N ATOM 642 CA ASP A 43 -25.812 12.940 -17.549 1.00 0.00 C ATOM 643 C ASP A 43 -24.957 11.683 -17.672 1.00 0.00 C ATOM 644 O ASP A 43 -25.156 10.710 -16.945 1.00 0.00 O ATOM 645 CB ASP A 43 -26.816 13.004 -18.701 1.00 0.00 C ATOM 646 CG ASP A 43 -27.853 14.092 -18.505 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.850 14.728 -17.431 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.669 14.308 -19.427 1.00 0.00 O ATOM 0 H ASP A 43 -25.233 14.834 -18.236 1.00 0.00 H new ATOM 0 HA ASP A 43 -26.356 12.896 -16.605 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.282 13.179 -19.635 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -27.318 12.041 -18.796 1.00 0.00 H new ATOM 653 N VAL A 44 -24.004 11.710 -18.598 1.00 0.00 N ATOM 654 CA VAL A 44 -23.118 10.574 -18.818 1.00 0.00 C ATOM 655 C VAL A 44 -21.857 10.688 -17.968 1.00 0.00 C ATOM 656 O VAL A 44 -21.222 9.685 -17.644 1.00 0.00 O ATOM 657 CB VAL A 44 -22.716 10.452 -20.300 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.857 9.217 -20.521 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.952 10.418 -21.185 1.00 0.00 C ATOM 0 H VAL A 44 -23.826 12.507 -19.208 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.671 9.681 -18.526 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.126 11.327 -20.572 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -21.583 9.148 -21.574 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.954 9.289 -19.915 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -22.417 8.328 -20.233 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -23.650 10.332 -22.229 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.570 9.562 -20.914 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -24.523 11.336 -21.047 1.00 0.00 H new ATOM 669 N MET A 45 -21.500 11.918 -17.611 1.00 0.00 N ATOM 670 CA MET A 45 -20.315 12.163 -16.798 1.00 0.00 C ATOM 671 C MET A 45 -20.342 11.317 -15.529 1.00 0.00 C ATOM 672 O MET A 45 -19.372 10.629 -15.210 1.00 0.00 O ATOM 673 CB MET A 45 -20.218 13.646 -16.433 1.00 0.00 C ATOM 674 CG MET A 45 -18.933 14.011 -15.709 1.00 0.00 C ATOM 675 SD MET A 45 -18.228 15.567 -16.287 1.00 0.00 S ATOM 676 CE MET A 45 -16.488 15.148 -16.350 1.00 0.00 C ATOM 0 H MET A 45 -22.014 12.759 -17.872 1.00 0.00 H new ATOM 0 HA MET A 45 -19.439 11.882 -17.383 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.294 14.241 -17.343 1.00 0.00 H new ATOM 0 HB3 MET A 45 -21.068 13.913 -15.805 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.131 14.081 -14.639 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.204 13.213 -15.847 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.918 16.012 -16.691 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.147 14.858 -15.356 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.338 14.319 -17.041 1.00 0.00 H new ATOM 686 N MET A 46 -21.458 11.372 -14.809 1.00 0.00 N ATOM 687 CA MET A 46 -21.610 10.609 -13.576 1.00 0.00 C ATOM 688 C MET A 46 -21.254 9.142 -13.796 1.00 0.00 C ATOM 689 O MET A 46 -20.538 8.540 -12.996 1.00 0.00 O ATOM 690 CB MET A 46 -23.043 10.725 -13.052 1.00 0.00 C ATOM 691 CG MET A 46 -23.274 9.985 -11.745 1.00 0.00 C ATOM 692 SD MET A 46 -22.779 10.948 -10.304 1.00 0.00 S ATOM 693 CE MET A 46 -23.251 9.841 -8.978 1.00 0.00 C ATOM 0 H MET A 46 -22.270 11.937 -15.058 1.00 0.00 H new ATOM 0 HA MET A 46 -20.925 11.023 -12.836 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.285 11.778 -12.911 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.729 10.338 -13.805 1.00 0.00 H new ATOM 0 HG2 MET A 46 -24.330 9.727 -11.660 1.00 0.00 H new ATOM 0 HG3 MET A 46 -22.717 9.048 -11.759 1.00 0.00 H new ATOM 0 HE1 MET A 46 -23.007 10.298 -8.019 1.00 0.00 H new ATOM 0 HE2 MET A 46 -24.323 9.650 -9.027 1.00 0.00 H new ATOM 0 HE3 MET A 46 -22.710 8.900 -9.080 1.00 0.00 H new ATOM 703 N ASP A 47 -21.758 8.573 -14.886 1.00 0.00 N ATOM 704 CA ASP A 47 -21.493 7.177 -15.211 1.00 0.00 C ATOM 705 C ASP A 47 -19.994 6.924 -15.341 1.00 0.00 C ATOM 706 O ASP A 47 -19.476 5.925 -14.842 1.00 0.00 O ATOM 707 CB ASP A 47 -22.202 6.790 -16.510 1.00 0.00 C ATOM 708 CG ASP A 47 -22.089 5.309 -16.813 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.333 4.496 -15.896 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.758 4.963 -17.966 1.00 0.00 O ATOM 0 H ASP A 47 -22.352 9.057 -15.559 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.878 6.561 -14.398 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.255 7.064 -16.441 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.777 7.360 -17.336 1.00 0.00 H new ATOM 715 N PHE A 48 -19.302 7.837 -16.015 1.00 0.00 N ATOM 716 CA PHE A 48 -17.862 7.712 -16.213 1.00 0.00 C ATOM 717 C PHE A 48 -17.120 7.818 -14.884 1.00 0.00 C ATOM 718 O PHE A 48 -16.255 6.997 -14.577 1.00 0.00 O ATOM 719 CB PHE A 48 -17.363 8.791 -17.176 1.00 0.00 C ATOM 720 CG PHE A 48 -15.867 8.910 -17.220 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.115 8.076 -18.032 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.211 9.856 -16.449 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.738 8.183 -18.074 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.833 9.968 -16.486 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.096 9.131 -17.300 1.00 0.00 C ATOM 0 H PHE A 48 -19.715 8.671 -16.433 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.663 6.731 -16.643 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.732 8.571 -18.178 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.787 9.752 -16.884 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.611 7.333 -18.639 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.783 10.514 -15.811 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.164 7.526 -18.711 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.334 10.709 -15.879 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.020 9.217 -17.332 1.00 0.00 H new ATOM 735 N ILE A 49 -17.463 8.834 -14.101 1.00 0.00 N ATOM 736 CA ILE A 49 -16.830 9.047 -12.805 1.00 0.00 C ATOM 737 C ILE A 49 -16.933 7.802 -11.932 1.00 0.00 C ATOM 738 O ILE A 49 -15.951 7.374 -11.325 1.00 0.00 O ATOM 739 CB ILE A 49 -17.462 10.237 -12.059 1.00 0.00 C ATOM 740 CG1 ILE A 49 -17.317 11.519 -12.881 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.821 10.405 -10.689 1.00 0.00 C ATOM 742 CD1 ILE A 49 -18.157 12.667 -12.366 1.00 0.00 C ATOM 0 H ILE A 49 -18.176 9.523 -14.341 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.780 9.266 -12.999 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.524 10.035 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -16.269 11.820 -12.887 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -17.595 11.311 -13.914 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.278 11.250 -10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.972 9.498 -10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.753 10.587 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.003 13.542 -12.997 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.210 12.385 -12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.864 12.902 -11.343 1.00 0.00 H new ATOM 754 N SER A 50 -18.128 7.223 -11.873 1.00 0.00 N ATOM 755 CA SER A 50 -18.360 6.027 -11.072 1.00 0.00 C ATOM 756 C SER A 50 -17.792 4.791 -11.764 1.00 0.00 C ATOM 757 O SER A 50 -17.476 3.793 -11.116 1.00 0.00 O ATOM 758 CB SER A 50 -19.857 5.840 -10.818 1.00 0.00 C ATOM 759 OG SER A 50 -20.265 6.528 -9.648 1.00 0.00 O ATOM 0 H SER A 50 -18.951 7.563 -12.371 1.00 0.00 H new ATOM 0 HA SER A 50 -17.850 6.155 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.423 6.206 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.082 4.778 -10.717 1.00 0.00 H new ATOM 0 HG SER A 50 -21.226 6.395 -9.508 1.00 0.00 H new ATOM 765 N ARG A 51 -17.665 4.866 -13.085 1.00 0.00 N ATOM 766 CA ARG A 51 -17.137 3.754 -13.866 1.00 0.00 C ATOM 767 C ARG A 51 -15.645 3.567 -13.605 1.00 0.00 C ATOM 768 O ARG A 51 -15.183 2.452 -13.360 1.00 0.00 O ATOM 769 CB ARG A 51 -17.379 3.991 -15.358 1.00 0.00 C ATOM 770 CG ARG A 51 -16.675 2.986 -16.256 1.00 0.00 C ATOM 771 CD ARG A 51 -17.363 2.870 -17.608 1.00 0.00 C ATOM 772 NE ARG A 51 -17.287 4.115 -18.369 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.520 4.193 -19.674 1.00 0.00 C ATOM 774 NH1 ARG A 51 -17.843 3.105 -20.360 1.00 0.00 N ATOM 775 NH2 ARG A 51 -17.432 5.362 -20.296 1.00 0.00 N ATOM 0 H ARG A 51 -17.921 5.685 -13.637 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.659 2.847 -13.560 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.451 3.953 -15.554 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.043 4.995 -15.617 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.638 3.288 -16.399 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.659 2.011 -15.770 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.902 2.066 -18.182 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.408 2.598 -17.461 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.042 4.971 -17.871 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.913 2.205 -19.885 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.021 3.168 -21.362 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.185 6.201 -19.772 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.611 5.421 -21.298 1.00 0.00 H new ATOM 789 N PHE A 52 -14.898 4.664 -13.659 1.00 0.00 N ATOM 790 CA PHE A 52 -13.458 4.620 -13.430 1.00 0.00 C ATOM 791 C PHE A 52 -13.138 4.803 -11.950 1.00 0.00 C ATOM 792 O PHE A 52 -12.419 4.000 -11.356 1.00 0.00 O ATOM 793 CB PHE A 52 -12.757 5.703 -14.253 1.00 0.00 C ATOM 794 CG PHE A 52 -12.153 5.189 -15.529 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.943 4.514 -15.515 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.794 5.383 -16.741 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.385 4.039 -16.687 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.241 4.910 -17.916 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.034 4.239 -17.890 1.00 0.00 C ATOM 0 H PHE A 52 -15.265 5.594 -13.859 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.094 3.642 -13.744 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.474 6.489 -14.490 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.974 6.159 -13.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.430 4.357 -14.578 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.736 5.910 -16.768 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.443 3.512 -16.662 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.753 5.065 -18.854 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.599 3.872 -18.808 1.00 0.00 H new ATOM 809 N ALA A 53 -13.676 5.866 -11.360 1.00 0.00 N ATOM 810 CA ALA A 53 -13.448 6.154 -9.950 1.00 0.00 C ATOM 811 C ALA A 53 -14.418 5.375 -9.067 1.00 0.00 C ATOM 812 O ALA A 53 -15.619 5.335 -9.333 1.00 0.00 O ATOM 813 CB ALA A 53 -13.578 7.647 -9.689 1.00 0.00 C ATOM 0 H ALA A 53 -14.273 6.542 -11.837 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.435 5.839 -9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.405 7.848 -8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.842 8.186 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.580 7.978 -9.962 1.00 0.00 H new ATOM 819 N ARG A 54 -13.888 4.756 -8.017 1.00 0.00 N ATOM 820 CA ARG A 54 -14.706 3.975 -7.097 1.00 0.00 C ATOM 821 C ARG A 54 -15.488 4.888 -6.157 1.00 0.00 C ATOM 822 O ARG A 54 -16.425 4.453 -5.487 1.00 0.00 O ATOM 823 CB ARG A 54 -13.829 3.020 -6.285 1.00 0.00 C ATOM 824 CG ARG A 54 -13.017 2.062 -7.142 1.00 0.00 C ATOM 825 CD ARG A 54 -13.906 1.030 -7.818 1.00 0.00 C ATOM 826 NE ARG A 54 -13.194 0.291 -8.857 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.796 -0.488 -9.749 1.00 0.00 C ATOM 828 NH1 ARG A 54 -15.115 -0.628 -9.728 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.080 -1.127 -10.664 1.00 0.00 N ATOM 0 H ARG A 54 -12.896 4.780 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.416 3.393 -7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.150 3.604 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.462 2.443 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.469 2.624 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.276 1.556 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.284 0.332 -7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.771 1.528 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.179 0.378 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.669 -0.137 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.575 -1.227 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.066 -1.021 -10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.543 -1.725 -11.348 1.00 0.00 H new ATOM 843 N THR A 55 -15.096 6.158 -6.112 1.00 0.00 N ATOM 844 CA THR A 55 -15.758 7.132 -5.253 1.00 0.00 C ATOM 845 C THR A 55 -15.888 6.609 -3.827 1.00 0.00 C ATOM 846 O THR A 55 -16.931 6.764 -3.192 1.00 0.00 O ATOM 847 CB THR A 55 -17.158 7.490 -5.786 1.00 0.00 C ATOM 848 OG1 THR A 55 -18.077 6.430 -5.501 1.00 0.00 O ATOM 849 CG2 THR A 55 -17.118 7.744 -7.285 1.00 0.00 C ATOM 0 H THR A 55 -14.323 6.536 -6.661 1.00 0.00 H new ATOM 0 HA THR A 55 -15.137 8.028 -5.253 1.00 0.00 H new ATOM 0 HB THR A 55 -17.490 8.401 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.582 5.595 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.118 7.995 -7.638 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.440 8.571 -7.496 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.767 6.848 -7.797 1.00 0.00 H new ATOM 857 N ASP A 56 -14.823 5.990 -3.330 1.00 0.00 N ATOM 858 CA ASP A 56 -14.817 5.446 -1.977 1.00 0.00 C ATOM 859 C ASP A 56 -14.227 6.449 -0.990 1.00 0.00 C ATOM 860 O ASP A 56 -13.881 7.569 -1.362 1.00 0.00 O ATOM 861 CB ASP A 56 -14.023 4.140 -1.933 1.00 0.00 C ATOM 862 CG ASP A 56 -12.540 4.356 -2.167 1.00 0.00 C ATOM 863 OD1 ASP A 56 -12.190 5.241 -2.976 1.00 0.00 O ATOM 864 OD2 ASP A 56 -11.731 3.641 -1.540 1.00 0.00 O ATOM 0 H ASP A 56 -13.953 5.852 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.849 5.244 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.169 3.662 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.411 3.456 -2.688 1.00 0.00 H new ATOM 869 N GLU A 57 -14.117 6.037 0.269 1.00 0.00 N ATOM 870 CA GLU A 57 -13.570 6.901 1.309 1.00 0.00 C ATOM 871 C GLU A 57 -12.086 7.167 1.072 1.00 0.00 C ATOM 872 O GLU A 57 -11.395 6.365 0.443 1.00 0.00 O ATOM 873 CB GLU A 57 -13.772 6.268 2.687 1.00 0.00 C ATOM 874 CG GLU A 57 -15.082 6.658 3.350 1.00 0.00 C ATOM 875 CD GLU A 57 -15.407 5.795 4.554 1.00 0.00 C ATOM 876 OE1 GLU A 57 -15.231 4.562 4.464 1.00 0.00 O ATOM 877 OE2 GLU A 57 -15.836 6.352 5.586 1.00 0.00 O ATOM 0 H GLU A 57 -14.399 5.112 0.593 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.102 7.852 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.733 5.183 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.946 6.559 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.032 7.702 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.890 6.580 2.623 1.00 0.00 H new ATOM 884 N ILE A 58 -11.605 8.297 1.578 1.00 0.00 N ATOM 885 CA ILE A 58 -10.204 8.668 1.421 1.00 0.00 C ATOM 886 C ILE A 58 -9.423 8.418 2.706 1.00 0.00 C ATOM 887 O ILE A 58 -9.832 8.842 3.787 1.00 0.00 O ATOM 888 CB ILE A 58 -10.055 10.149 1.023 1.00 0.00 C ATOM 889 CG1 ILE A 58 -10.866 10.443 -0.241 1.00 0.00 C ATOM 890 CG2 ILE A 58 -8.589 10.495 0.812 1.00 0.00 C ATOM 891 CD1 ILE A 58 -12.289 10.870 0.040 1.00 0.00 C ATOM 0 H ILE A 58 -12.164 8.972 2.100 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.799 8.044 0.625 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.441 10.769 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.366 11.227 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.880 9.552 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.500 11.544 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.037 10.318 1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.178 9.871 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.804 11.062 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.806 10.078 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.284 11.778 0.642 1.00 0.00 H new ATOM 903 N MET A 59 -8.294 7.728 2.581 1.00 0.00 N ATOM 904 CA MET A 59 -7.452 7.424 3.732 1.00 0.00 C ATOM 905 C MET A 59 -5.977 7.617 3.394 1.00 0.00 C ATOM 906 O MET A 59 -5.580 7.636 2.229 1.00 0.00 O ATOM 907 CB MET A 59 -7.696 5.989 4.204 1.00 0.00 C ATOM 908 CG MET A 59 -8.810 5.868 5.231 1.00 0.00 C ATOM 909 SD MET A 59 -8.596 4.450 6.324 1.00 0.00 S ATOM 910 CE MET A 59 -10.255 3.777 6.336 1.00 0.00 C ATOM 0 H MET A 59 -7.941 7.369 1.694 1.00 0.00 H new ATOM 0 HA MET A 59 -7.715 8.113 4.535 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.939 5.368 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.774 5.594 4.632 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.849 6.779 5.828 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.767 5.783 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.284 2.892 6.971 1.00 0.00 H new ATOM 0 HE2 MET A 59 -10.948 4.524 6.723 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.544 3.505 5.321 1.00 0.00 H new ATOM 920 N PRO A 60 -5.145 7.765 4.436 1.00 0.00 N ATOM 921 CA PRO A 60 -3.701 7.959 4.273 1.00 0.00 C ATOM 922 C PRO A 60 -3.001 6.703 3.766 1.00 0.00 C ATOM 923 O PRO A 60 -1.866 6.763 3.295 1.00 0.00 O ATOM 924 CB PRO A 60 -3.228 8.300 5.689 1.00 0.00 C ATOM 925 CG PRO A 60 -4.240 7.677 6.587 1.00 0.00 C ATOM 926 CD PRO A 60 -5.549 7.753 5.852 1.00 0.00 C ATOM 0 HA PRO A 60 -3.473 8.728 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.231 7.902 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.175 9.378 5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.978 6.643 6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.296 8.206 7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.188 6.900 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.108 8.650 6.118 1.00 0.00 H new ATOM 934 N GLU A 61 -3.685 5.568 3.865 1.00 0.00 N ATOM 935 CA GLU A 61 -3.127 4.298 3.415 1.00 0.00 C ATOM 936 C GLU A 61 -2.712 4.375 1.949 1.00 0.00 C ATOM 937 O GLU A 61 -1.625 3.933 1.577 1.00 0.00 O ATOM 938 CB GLU A 61 -4.143 3.171 3.611 1.00 0.00 C ATOM 939 CG GLU A 61 -4.309 2.745 5.060 1.00 0.00 C ATOM 940 CD GLU A 61 -4.953 1.379 5.196 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.976 0.631 4.197 1.00 0.00 O ATOM 942 OE2 GLU A 61 -5.434 1.059 6.304 1.00 0.00 O ATOM 0 H GLU A 61 -4.626 5.502 4.253 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.241 4.087 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.109 3.493 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.834 2.308 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.333 2.732 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.916 3.483 5.584 1.00 0.00 H new ATOM 949 N ASP A 62 -3.585 4.939 1.122 1.00 0.00 N ATOM 950 CA ASP A 62 -3.310 5.075 -0.304 1.00 0.00 C ATOM 951 C ASP A 62 -2.144 6.028 -0.544 1.00 0.00 C ATOM 952 O ASP A 62 -1.679 6.702 0.376 1.00 0.00 O ATOM 953 CB ASP A 62 -4.554 5.575 -1.039 1.00 0.00 C ATOM 954 CG ASP A 62 -5.080 6.878 -0.469 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.279 7.825 -0.316 1.00 0.00 O ATOM 956 OD2 ASP A 62 -6.291 6.951 -0.175 1.00 0.00 O ATOM 0 H ASP A 62 -4.489 5.310 1.414 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.038 4.093 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.318 5.713 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.335 4.816 -0.983 1.00 0.00 H new ATOM 961 N LYS A 63 -1.675 6.080 -1.786 1.00 0.00 N ATOM 962 CA LYS A 63 -0.563 6.951 -2.149 1.00 0.00 C ATOM 963 C LYS A 63 -0.764 7.538 -3.542 1.00 0.00 C ATOM 964 O LYS A 63 -1.336 6.894 -4.422 1.00 0.00 O ATOM 965 CB LYS A 63 0.756 6.177 -2.095 1.00 0.00 C ATOM 966 CG LYS A 63 1.985 7.060 -2.225 1.00 0.00 C ATOM 967 CD LYS A 63 3.213 6.400 -1.621 1.00 0.00 C ATOM 968 CE LYS A 63 3.172 6.430 -0.101 1.00 0.00 C ATOM 969 NZ LYS A 63 3.744 7.692 0.444 1.00 0.00 N ATOM 0 H LYS A 63 -2.048 5.529 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.526 7.770 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.809 5.631 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.765 5.436 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.168 7.277 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.803 8.014 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.278 5.367 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.111 6.909 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.141 6.323 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.727 5.579 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.698 7.674 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.735 7.782 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.199 8.503 0.087 1.00 0.00 H new ATOM 983 N THR A 64 -0.288 8.764 -3.737 1.00 0.00 N ATOM 984 CA THR A 64 -0.415 9.437 -5.023 1.00 0.00 C ATOM 985 C THR A 64 0.697 9.016 -5.977 1.00 0.00 C ATOM 986 O THR A 64 1.880 9.117 -5.650 1.00 0.00 O ATOM 987 CB THR A 64 -0.385 10.969 -4.861 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.824 11.331 -3.547 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.269 11.641 -5.900 1.00 0.00 C ATOM 0 H THR A 64 0.189 9.311 -3.020 1.00 0.00 H new ATOM 0 HA THR A 64 -1.378 9.142 -5.440 1.00 0.00 H new ATOM 0 HB THR A 64 0.641 11.308 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.800 12.306 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.231 12.722 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.914 11.387 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.296 11.296 -5.782 1.00 0.00 H new ATOM 997 N VAL A 65 0.311 8.545 -7.158 1.00 0.00 N ATOM 998 CA VAL A 65 1.276 8.110 -8.160 1.00 0.00 C ATOM 999 C VAL A 65 1.425 9.148 -9.267 1.00 0.00 C ATOM 1000 O VAL A 65 2.375 9.107 -10.047 1.00 0.00 O ATOM 1001 CB VAL A 65 0.868 6.763 -8.786 1.00 0.00 C ATOM 1002 CG1 VAL A 65 1.960 6.252 -9.713 1.00 0.00 C ATOM 1003 CG2 VAL A 65 0.559 5.743 -7.700 1.00 0.00 C ATOM 0 H VAL A 65 -0.664 8.455 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 65 2.231 7.989 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.035 6.916 -9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.654 5.300 -10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.128 6.976 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.882 6.114 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.273 4.797 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.443 5.592 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.260 6.108 -7.081 1.00 0.00 H new ATOM 1013 N GLY A 66 0.477 10.079 -9.329 1.00 0.00 N ATOM 1014 CA GLY A 66 0.521 11.115 -10.344 1.00 0.00 C ATOM 1015 C GLY A 66 -0.700 12.013 -10.309 1.00 0.00 C ATOM 1016 O GLY A 66 -1.741 11.636 -9.771 1.00 0.00 O ATOM 0 H GLY A 66 -0.320 10.134 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.417 11.720 -10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.600 10.652 -11.328 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.573 13.204 -10.883 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.675 14.160 -10.913 1.00 0.00 C ATOM 1022 C PHE A 67 -1.867 14.724 -12.317 1.00 0.00 C ATOM 1023 O PHE A 67 -0.900 15.055 -13.004 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.417 15.299 -9.924 1.00 0.00 C ATOM 1025 CG PHE A 67 -2.665 16.017 -9.499 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -3.372 16.798 -10.399 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -3.132 15.911 -8.198 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -4.522 17.460 -10.010 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -4.281 16.571 -7.804 1.00 0.00 C ATOM 1030 CZ PHE A 67 -4.976 17.347 -8.711 1.00 0.00 C ATOM 0 H PHE A 67 0.281 13.531 -11.334 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.586 13.636 -10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.920 14.897 -9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.732 16.015 -10.378 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.021 16.891 -11.416 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.592 15.306 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.065 18.065 -10.722 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.635 16.480 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.873 17.865 -8.405 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.123 14.829 -12.739 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.444 15.353 -14.062 1.00 0.00 C ATOM 1042 C VAL A 68 -4.522 16.428 -13.980 1.00 0.00 C ATOM 1043 O VAL A 68 -5.668 16.148 -13.628 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.920 14.235 -15.008 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.293 14.808 -16.367 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.849 13.164 -15.148 1.00 0.00 C ATOM 0 H VAL A 68 -3.935 14.558 -12.184 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.528 15.790 -14.460 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.809 13.774 -14.578 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.627 14.003 -17.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.096 15.535 -16.247 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.424 15.297 -16.807 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.202 12.382 -15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.941 13.609 -15.555 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.636 12.733 -14.170 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.147 17.661 -14.308 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.082 18.779 -14.274 1.00 0.00 C ATOM 1058 C VAL A 69 -5.669 19.047 -15.655 1.00 0.00 C ATOM 1059 O VAL A 69 -4.951 19.413 -16.586 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.403 20.062 -13.758 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.432 21.164 -13.552 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.644 19.782 -12.470 1.00 0.00 C ATOM 0 H VAL A 69 -3.202 17.910 -14.600 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.884 18.501 -13.590 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.688 20.401 -14.507 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.935 22.063 -13.187 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.926 21.382 -14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.173 20.838 -12.822 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.171 20.699 -12.120 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.337 19.419 -11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.880 19.027 -12.655 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.979 18.864 -15.781 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.664 19.088 -17.048 1.00 0.00 C ATOM 1074 C VAL A 70 -8.798 20.094 -16.890 1.00 0.00 C ATOM 1075 O VAL A 70 -9.800 19.818 -16.231 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.234 17.775 -17.618 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.015 18.042 -18.896 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.116 16.773 -17.866 1.00 0.00 C ATOM 0 H VAL A 70 -7.588 18.561 -15.021 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.923 19.486 -17.742 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.918 17.348 -16.885 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.410 17.103 -19.284 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.840 18.722 -18.683 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.356 18.492 -19.638 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.536 15.851 -18.269 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.405 17.190 -18.580 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.604 16.559 -16.928 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.633 21.264 -17.499 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.644 22.313 -17.426 1.00 0.00 C ATOM 1090 C ASN A 71 -10.056 22.770 -18.822 1.00 0.00 C ATOM 1091 O ASN A 71 -9.291 23.435 -19.519 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.115 23.504 -16.623 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.839 23.147 -15.175 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -8.978 21.992 -14.771 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -8.446 24.140 -14.385 1.00 0.00 N ATOM 0 H ASN A 71 -7.809 21.509 -18.048 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.521 21.904 -16.924 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.199 23.872 -17.085 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.841 24.317 -16.662 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.246 23.960 -13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.344 25.082 -14.762 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.271 22.409 -19.222 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.786 22.784 -20.533 1.00 0.00 C ATOM 1104 C ALA A 72 -12.157 24.263 -20.575 1.00 0.00 C ATOM 1105 O ALA A 72 -12.098 24.898 -21.627 1.00 0.00 O ATOM 1106 CB ALA A 72 -12.989 21.925 -20.892 1.00 0.00 C ATOM 0 H ALA A 72 -11.917 21.857 -18.657 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.999 22.613 -21.268 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.364 22.216 -21.873 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.694 20.876 -20.912 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.773 22.067 -20.148 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.541 24.804 -19.424 1.00 0.00 N ATOM 1113 CA ASP A 73 -12.922 26.208 -19.329 1.00 0.00 C ATOM 1114 C ASP A 73 -11.737 27.115 -19.647 1.00 0.00 C ATOM 1115 O ASP A 73 -11.834 28.008 -20.489 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.458 26.520 -17.930 1.00 0.00 C ATOM 1117 CG ASP A 73 -13.860 27.973 -17.775 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -15.013 28.310 -18.120 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -13.024 28.774 -17.308 1.00 0.00 O ATOM 0 H ASP A 73 -12.597 24.291 -18.544 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.708 26.396 -20.061 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.319 25.884 -17.724 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.696 26.276 -17.189 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.620 26.882 -18.967 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.416 27.677 -19.176 1.00 0.00 C ATOM 1126 C LYS A 74 -8.538 27.060 -20.261 1.00 0.00 C ATOM 1127 O LYS A 74 -7.530 27.640 -20.663 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.625 27.795 -17.871 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.429 28.381 -16.724 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.737 29.851 -16.952 1.00 0.00 C ATOM 1131 CE LYS A 74 -8.553 30.732 -16.585 1.00 0.00 C ATOM 1132 NZ LYS A 74 -7.634 30.935 -17.739 1.00 0.00 N ATOM 0 H LYS A 74 -10.523 26.148 -18.265 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.720 28.672 -19.501 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.265 26.807 -17.584 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.747 28.417 -18.043 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.361 27.827 -16.611 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.874 28.265 -15.793 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.000 30.011 -17.998 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.604 30.139 -16.357 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.915 31.699 -16.234 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.005 30.278 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.708 30.513 -17.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.034 30.481 -18.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.518 31.953 -17.915 1.00 0.00 H new ATOM 1146 N LYS A 75 -8.929 25.880 -20.731 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.180 25.184 -21.771 1.00 0.00 C ATOM 1148 C LYS A 75 -6.748 24.913 -21.321 1.00 0.00 C ATOM 1149 O LYS A 75 -5.792 25.384 -21.939 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.173 26.008 -23.061 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.400 25.790 -23.928 1.00 0.00 C ATOM 1152 CD LYS A 75 -9.414 26.729 -25.122 1.00 0.00 C ATOM 1153 CE LYS A 75 -10.767 26.730 -25.817 1.00 0.00 C ATOM 1154 NZ LYS A 75 -10.731 27.482 -27.101 1.00 0.00 N ATOM 0 H LYS A 75 -9.761 25.386 -20.408 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.670 24.229 -21.960 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.102 27.065 -22.806 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.282 25.758 -23.637 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.422 24.757 -24.276 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.300 25.944 -23.332 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.172 27.740 -24.794 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.641 26.430 -25.830 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.078 25.703 -26.007 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.513 27.173 -25.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.672 27.459 -27.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.459 28.469 -26.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.037 27.044 -27.740 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.606 24.150 -20.243 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.290 23.814 -19.711 1.00 0.00 C ATOM 1170 C LEU A 76 -5.167 22.313 -19.469 1.00 0.00 C ATOM 1171 O LEU A 76 -5.986 21.719 -18.768 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.034 24.575 -18.409 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.396 26.061 -18.418 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.252 26.654 -17.026 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.527 26.815 -19.414 1.00 0.00 C ATOM 0 H LEU A 76 -7.386 23.752 -19.720 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.542 24.107 -20.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.596 24.089 -17.611 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.978 24.480 -18.158 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.437 26.160 -18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.514 27.712 -17.052 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.917 26.133 -16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.222 26.544 -16.688 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.798 27.871 -19.407 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.478 26.708 -19.136 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.681 26.407 -20.413 1.00 0.00 H new ATOM 1187 N MET A 77 -4.138 21.707 -20.051 1.00 0.00 N ATOM 1188 CA MET A 77 -3.906 20.276 -19.895 1.00 0.00 C ATOM 1189 C MET A 77 -2.532 20.010 -19.289 1.00 0.00 C ATOM 1190 O MET A 77 -1.506 20.326 -19.890 1.00 0.00 O ATOM 1191 CB MET A 77 -4.026 19.568 -21.246 1.00 0.00 C ATOM 1192 CG MET A 77 -4.639 18.180 -21.153 1.00 0.00 C ATOM 1193 SD MET A 77 -3.622 17.033 -20.204 1.00 0.00 S ATOM 1194 CE MET A 77 -2.074 17.134 -21.098 1.00 0.00 C ATOM 0 H MET A 77 -3.451 22.184 -20.635 1.00 0.00 H new ATOM 0 HA MET A 77 -4.664 19.883 -19.218 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.632 20.180 -21.915 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.036 19.490 -21.695 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.624 18.252 -20.692 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.785 17.784 -22.158 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.484 16.238 -20.906 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.275 17.213 -22.166 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.519 18.012 -20.767 1.00 0.00 H new ATOM 1204 N SER A 78 -2.520 19.428 -18.094 1.00 0.00 N ATOM 1205 CA SER A 78 -1.272 19.124 -17.404 1.00 0.00 C ATOM 1206 C SER A 78 -1.271 17.688 -16.889 1.00 0.00 C ATOM 1207 O SER A 78 -2.200 17.262 -16.202 1.00 0.00 O ATOM 1208 CB SER A 78 -1.057 20.095 -16.241 1.00 0.00 C ATOM 1209 OG SER A 78 -0.918 21.426 -16.707 1.00 0.00 O ATOM 0 H SER A 78 -3.361 19.158 -17.584 1.00 0.00 H new ATOM 0 HA SER A 78 -0.455 19.236 -18.117 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.899 20.034 -15.552 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.166 19.807 -15.683 1.00 0.00 H new ATOM 0 HG SER A 78 -0.783 22.027 -15.945 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.222 16.945 -17.226 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.098 15.557 -16.798 1.00 0.00 C ATOM 1217 C VAL A 79 1.265 15.296 -16.168 1.00 0.00 C ATOM 1218 O VAL A 79 2.302 15.533 -16.787 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.302 14.586 -17.976 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.739 14.639 -18.470 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.670 14.905 -19.103 1.00 0.00 C ATOM 0 H VAL A 79 0.555 17.282 -17.795 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.877 15.384 -16.056 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.100 13.573 -17.628 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.863 13.946 -19.302 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.413 14.358 -17.660 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.973 15.651 -18.802 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.512 14.209 -19.927 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.502 15.924 -19.451 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.693 14.810 -18.739 1.00 0.00 H new ATOM 1231 N SER A 80 1.256 14.805 -14.933 1.00 0.00 N ATOM 1232 CA SER A 80 2.492 14.514 -14.217 1.00 0.00 C ATOM 1233 C SER A 80 2.343 13.259 -13.363 1.00 0.00 C ATOM 1234 O SER A 80 1.810 13.308 -12.253 1.00 0.00 O ATOM 1235 CB SER A 80 2.887 15.700 -13.335 1.00 0.00 C ATOM 1236 OG SER A 80 3.960 15.361 -12.474 1.00 0.00 O ATOM 0 H SER A 80 0.406 14.600 -14.407 1.00 0.00 H new ATOM 0 HA SER A 80 3.277 14.340 -14.953 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.173 16.544 -13.962 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.029 16.019 -12.743 1.00 0.00 H new ATOM 0 HG SER A 80 4.194 16.136 -11.922 1.00 0.00 H new ATOM 1242 N PHE A 81 2.816 12.134 -13.888 1.00 0.00 N ATOM 1243 CA PHE A 81 2.735 10.864 -13.175 1.00 0.00 C ATOM 1244 C PHE A 81 4.119 10.240 -13.016 1.00 0.00 C ATOM 1245 O PHE A 81 5.095 10.712 -13.600 1.00 0.00 O ATOM 1246 CB PHE A 81 1.810 9.897 -13.917 1.00 0.00 C ATOM 1247 CG PHE A 81 2.060 9.844 -15.397 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.492 10.784 -16.242 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.863 8.856 -15.943 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.719 10.738 -17.604 1.00 0.00 C ATOM 1251 CE2 PHE A 81 3.094 8.805 -17.305 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.522 9.748 -18.136 1.00 0.00 C ATOM 0 H PHE A 81 3.260 12.075 -14.805 1.00 0.00 H new ATOM 0 HA PHE A 81 2.327 11.058 -12.183 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.933 8.897 -13.500 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.775 10.191 -13.742 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.865 11.561 -15.831 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.314 8.117 -15.297 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.269 11.475 -18.252 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.721 8.029 -17.719 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.702 9.711 -19.200 1.00 0.00 H new ATOM 1262 N SER A 82 4.195 9.178 -12.220 1.00 0.00 N ATOM 1263 CA SER A 82 5.459 8.492 -11.980 1.00 0.00 C ATOM 1264 C SER A 82 6.157 8.163 -13.296 1.00 0.00 C ATOM 1265 O SER A 82 5.538 7.653 -14.229 1.00 0.00 O ATOM 1266 CB SER A 82 5.223 7.209 -11.180 1.00 0.00 C ATOM 1267 OG SER A 82 6.281 6.287 -11.371 1.00 0.00 O ATOM 0 H SER A 82 3.396 8.774 -11.731 1.00 0.00 H new ATOM 0 HA SER A 82 6.102 9.158 -11.404 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.132 7.449 -10.121 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.281 6.754 -11.486 1.00 0.00 H new ATOM 0 HG SER A 82 6.107 5.477 -10.848 1.00 0.00 H new ATOM 1273 N ASP A 83 7.451 8.459 -13.361 1.00 0.00 N ATOM 1274 CA ASP A 83 8.235 8.195 -14.562 1.00 0.00 C ATOM 1275 C ASP A 83 8.143 6.725 -14.958 1.00 0.00 C ATOM 1276 O ASP A 83 8.726 5.858 -14.305 1.00 0.00 O ATOM 1277 CB ASP A 83 9.697 8.585 -14.337 1.00 0.00 C ATOM 1278 CG ASP A 83 9.839 9.934 -13.661 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.845 10.958 -14.376 1.00 0.00 O ATOM 1280 OD2 ASP A 83 9.946 9.967 -12.417 1.00 0.00 O ATOM 0 H ASP A 83 7.978 8.881 -12.597 1.00 0.00 H new ATOM 0 HA ASP A 83 7.827 8.797 -15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.183 7.823 -13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.216 8.606 -15.295 1.00 0.00 H new ATOM 1285 N ILE A 84 7.407 6.451 -16.030 1.00 0.00 N ATOM 1286 CA ILE A 84 7.239 5.086 -16.513 1.00 0.00 C ATOM 1287 C ILE A 84 8.113 4.824 -17.735 1.00 0.00 C ATOM 1288 O ILE A 84 8.904 5.676 -18.140 1.00 0.00 O ATOM 1289 CB ILE A 84 5.771 4.793 -16.873 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.312 5.701 -18.016 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.880 4.977 -15.653 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.876 5.470 -18.432 1.00 0.00 C ATOM 0 H ILE A 84 6.917 7.156 -16.581 1.00 0.00 H new ATOM 0 HA ILE A 84 7.544 4.424 -15.702 1.00 0.00 H new ATOM 0 HB ILE A 84 5.693 3.757 -17.203 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.431 6.741 -17.713 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.961 5.544 -18.877 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.845 4.766 -15.923 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.196 4.293 -14.865 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.960 6.004 -15.296 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.619 6.148 -19.246 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.755 4.440 -18.766 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.217 5.656 -17.584 1.00 0.00 H new ATOM 1304 N ASP A 85 7.962 3.641 -18.320 1.00 0.00 N ATOM 1305 CA ASP A 85 8.735 3.266 -19.498 1.00 0.00 C ATOM 1306 C ASP A 85 8.639 4.342 -20.575 1.00 0.00 C ATOM 1307 O ASP A 85 7.574 4.914 -20.801 1.00 0.00 O ATOM 1308 CB ASP A 85 8.244 1.928 -20.052 1.00 0.00 C ATOM 1309 CG ASP A 85 8.141 0.860 -18.980 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.035 0.805 -18.109 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.167 0.081 -19.012 1.00 0.00 O ATOM 0 H ASP A 85 7.311 2.925 -17.997 1.00 0.00 H new ATOM 0 HA ASP A 85 9.779 3.166 -19.201 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.268 2.067 -20.517 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.925 1.590 -20.833 1.00 0.00 H new ATOM 1316 N GLU A 86 9.761 4.613 -21.236 1.00 0.00 N ATOM 1317 CA GLU A 86 9.802 5.622 -22.288 1.00 0.00 C ATOM 1318 C GLU A 86 8.869 5.249 -23.436 1.00 0.00 C ATOM 1319 O GLU A 86 8.196 6.107 -24.006 1.00 0.00 O ATOM 1320 CB GLU A 86 11.231 5.787 -22.810 1.00 0.00 C ATOM 1321 CG GLU A 86 11.856 4.490 -23.296 1.00 0.00 C ATOM 1322 CD GLU A 86 13.321 4.647 -23.656 1.00 0.00 C ATOM 1323 OE1 GLU A 86 14.118 4.994 -22.760 1.00 0.00 O ATOM 1324 OE2 GLU A 86 13.668 4.423 -24.834 1.00 0.00 O ATOM 0 H GLU A 86 10.652 4.148 -21.062 1.00 0.00 H new ATOM 0 HA GLU A 86 9.466 6.568 -21.863 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.229 6.508 -23.627 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.852 6.205 -22.018 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.756 3.730 -22.521 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.308 4.131 -24.167 1.00 0.00 H new ATOM 1331 N ASN A 87 8.836 3.963 -23.771 1.00 0.00 N ATOM 1332 CA ASN A 87 7.987 3.476 -24.852 1.00 0.00 C ATOM 1333 C ASN A 87 6.546 3.938 -24.662 1.00 0.00 C ATOM 1334 O ASN A 87 5.853 4.259 -25.627 1.00 0.00 O ATOM 1335 CB ASN A 87 8.040 1.949 -24.921 1.00 0.00 C ATOM 1336 CG ASN A 87 9.194 1.448 -25.768 1.00 0.00 C ATOM 1337 OD1 ASN A 87 10.039 0.686 -25.297 1.00 0.00 O ATOM 1338 ND2 ASN A 87 9.236 1.876 -27.024 1.00 0.00 N ATOM 0 H ASN A 87 9.387 3.240 -23.309 1.00 0.00 H new ATOM 0 HA ASN A 87 8.361 3.889 -25.789 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.131 1.545 -23.913 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.102 1.574 -25.331 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.990 1.574 -27.641 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.514 2.507 -27.372 1.00 0.00 H new ATOM 1345 N MET A 88 6.101 3.971 -23.410 1.00 0.00 N ATOM 1346 CA MET A 88 4.742 4.395 -23.093 1.00 0.00 C ATOM 1347 C MET A 88 4.617 5.914 -23.162 1.00 0.00 C ATOM 1348 O MET A 88 3.541 6.447 -23.435 1.00 0.00 O ATOM 1349 CB MET A 88 4.342 3.902 -21.701 1.00 0.00 C ATOM 1350 CG MET A 88 2.865 3.569 -21.575 1.00 0.00 C ATOM 1351 SD MET A 88 2.497 1.863 -22.030 1.00 0.00 S ATOM 1352 CE MET A 88 2.102 1.164 -20.429 1.00 0.00 C ATOM 0 H MET A 88 6.661 3.709 -22.599 1.00 0.00 H new ATOM 0 HA MET A 88 4.070 3.958 -23.832 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.928 3.016 -21.456 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.598 4.666 -20.967 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.543 3.745 -20.549 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.289 4.243 -22.210 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.618 0.197 -20.564 1.00 0.00 H new ATOM 0 HE2 MET A 88 3.018 1.034 -19.853 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.429 1.835 -19.895 1.00 0.00 H new ATOM 1362 N LYS A 89 5.724 6.606 -22.913 1.00 0.00 N ATOM 1363 CA LYS A 89 5.739 8.064 -22.948 1.00 0.00 C ATOM 1364 C LYS A 89 5.265 8.581 -24.303 1.00 0.00 C ATOM 1365 O LYS A 89 4.596 9.611 -24.386 1.00 0.00 O ATOM 1366 CB LYS A 89 7.147 8.587 -22.656 1.00 0.00 C ATOM 1367 CG LYS A 89 7.173 10.023 -22.162 1.00 0.00 C ATOM 1368 CD LYS A 89 8.509 10.371 -21.528 1.00 0.00 C ATOM 1369 CE LYS A 89 9.563 10.677 -22.581 1.00 0.00 C ATOM 1370 NZ LYS A 89 9.295 11.967 -23.275 1.00 0.00 N ATOM 0 H LYS A 89 6.622 6.181 -22.685 1.00 0.00 H new ATOM 0 HA LYS A 89 5.056 8.428 -22.180 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.616 7.946 -21.909 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.748 8.513 -23.562 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.978 10.699 -22.995 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.374 10.173 -21.435 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.388 11.233 -20.872 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.845 9.541 -20.906 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.546 10.715 -22.111 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.590 9.870 -23.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.156 12.283 -23.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.531 11.836 -23.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.010 12.684 -22.577 1.00 0.00 H new ATOM 1384 N LYS A 90 5.613 7.858 -25.362 1.00 0.00 N ATOM 1385 CA LYS A 90 5.221 8.241 -26.713 1.00 0.00 C ATOM 1386 C LYS A 90 3.702 8.290 -26.845 1.00 0.00 C ATOM 1387 O LYS A 90 3.136 9.307 -27.244 1.00 0.00 O ATOM 1388 CB LYS A 90 5.801 7.259 -27.732 1.00 0.00 C ATOM 1389 CG LYS A 90 7.248 7.543 -28.096 1.00 0.00 C ATOM 1390 CD LYS A 90 7.683 6.751 -29.318 1.00 0.00 C ATOM 1391 CE LYS A 90 9.134 7.030 -29.676 1.00 0.00 C ATOM 1392 NZ LYS A 90 9.348 8.454 -30.056 1.00 0.00 N ATOM 0 H LYS A 90 6.166 7.003 -25.310 1.00 0.00 H new ATOM 0 HA LYS A 90 5.618 9.237 -26.911 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.728 6.248 -27.332 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.195 7.288 -28.638 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.373 8.609 -28.289 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.892 7.294 -27.252 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.553 5.686 -29.128 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.043 7.004 -30.164 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.772 6.781 -28.828 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.435 6.385 -30.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.290 8.561 -30.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.621 8.744 -30.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.283 9.053 -29.208 1.00 0.00 H new ATOM 1406 N VAL A 91 3.047 7.183 -26.507 1.00 0.00 N ATOM 1407 CA VAL A 91 1.594 7.101 -26.586 1.00 0.00 C ATOM 1408 C VAL A 91 0.935 8.157 -25.706 1.00 0.00 C ATOM 1409 O VAL A 91 0.089 8.924 -26.167 1.00 0.00 O ATOM 1410 CB VAL A 91 1.087 5.708 -26.165 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.426 5.629 -26.295 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.759 4.624 -26.993 1.00 0.00 C ATOM 0 H VAL A 91 3.500 6.331 -26.176 1.00 0.00 H new ATOM 0 HA VAL A 91 1.323 7.279 -27.627 1.00 0.00 H new ATOM 0 HB VAL A 91 1.347 5.547 -25.119 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.766 4.638 -25.993 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.886 6.381 -25.654 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.712 5.811 -27.331 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.389 3.647 -26.682 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.533 4.779 -28.048 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.838 4.668 -26.843 1.00 0.00 H new ATOM 1422 N ILE A 92 1.328 8.191 -24.437 1.00 0.00 N ATOM 1423 CA ILE A 92 0.776 9.154 -23.493 1.00 0.00 C ATOM 1424 C ILE A 92 0.957 10.582 -23.996 1.00 0.00 C ATOM 1425 O ILE A 92 0.031 11.393 -23.945 1.00 0.00 O ATOM 1426 CB ILE A 92 1.434 9.023 -22.106 1.00 0.00 C ATOM 1427 CG1 ILE A 92 1.220 7.615 -21.547 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.873 10.068 -21.153 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.875 7.393 -20.202 1.00 0.00 C ATOM 0 H ILE A 92 2.026 7.563 -24.039 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.288 8.935 -23.404 1.00 0.00 H new ATOM 0 HB ILE A 92 2.506 9.193 -22.211 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.150 7.428 -21.456 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.612 6.887 -22.258 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.348 9.963 -20.177 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.072 11.064 -21.548 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.203 9.927 -21.050 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.682 6.374 -19.867 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.950 7.548 -20.291 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.466 8.097 -19.477 1.00 0.00 H new ATOM 1441 N LYS A 93 2.155 10.884 -24.484 1.00 0.00 N ATOM 1442 CA LYS A 93 2.459 12.214 -25.000 1.00 0.00 C ATOM 1443 C LYS A 93 1.543 12.566 -26.168 1.00 0.00 C ATOM 1444 O LYS A 93 1.046 13.688 -26.263 1.00 0.00 O ATOM 1445 CB LYS A 93 3.921 12.289 -25.444 1.00 0.00 C ATOM 1446 CG LYS A 93 4.386 13.699 -25.768 1.00 0.00 C ATOM 1447 CD LYS A 93 4.765 14.464 -24.512 1.00 0.00 C ATOM 1448 CE LYS A 93 6.217 14.221 -24.127 1.00 0.00 C ATOM 1449 NZ LYS A 93 7.157 14.703 -25.176 1.00 0.00 N ATOM 0 H LYS A 93 2.932 10.225 -24.533 1.00 0.00 H new ATOM 0 HA LYS A 93 2.292 12.935 -24.199 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.553 11.879 -24.656 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.058 11.659 -26.323 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.243 13.655 -26.441 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.594 14.232 -26.295 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.603 15.530 -24.672 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.115 14.162 -23.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.433 14.727 -23.186 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.375 13.156 -23.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.062 14.967 -24.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.317 13.947 -25.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.749 15.532 -25.653 1.00 0.00 H new ATOM 1463 N ALA A 94 1.324 11.600 -27.054 1.00 0.00 N ATOM 1464 CA ALA A 94 0.465 11.807 -28.214 1.00 0.00 C ATOM 1465 C ALA A 94 -0.961 12.138 -27.788 1.00 0.00 C ATOM 1466 O ALA A 94 -1.552 13.111 -28.260 1.00 0.00 O ATOM 1467 CB ALA A 94 0.479 10.576 -29.108 1.00 0.00 C ATOM 0 H ALA A 94 1.730 10.666 -26.991 1.00 0.00 H new ATOM 0 HA ALA A 94 0.854 12.655 -28.777 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.167 10.745 -29.970 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.497 10.385 -29.449 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.117 9.715 -28.547 1.00 0.00 H new ATOM 1473 N THR A 95 -1.512 11.322 -26.894 1.00 0.00 N ATOM 1474 CA THR A 95 -2.870 11.527 -26.407 1.00 0.00 C ATOM 1475 C THR A 95 -3.027 12.908 -25.780 1.00 0.00 C ATOM 1476 O THR A 95 -3.924 13.667 -26.144 1.00 0.00 O ATOM 1477 CB THR A 95 -3.262 10.458 -25.370 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.198 9.155 -25.962 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.665 10.709 -24.837 1.00 0.00 C ATOM 0 H THR A 95 -1.038 10.513 -26.493 1.00 0.00 H new ATOM 0 HA THR A 95 -3.531 11.445 -27.270 1.00 0.00 H new ATOM 0 HB THR A 95 -2.559 10.515 -24.539 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.261 8.893 -26.076 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.919 9.941 -24.106 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.704 11.689 -24.362 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.378 10.677 -25.661 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.147 13.227 -24.836 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.187 14.518 -24.160 1.00 0.00 C ATOM 1489 C ALA A 96 -1.908 15.657 -25.135 1.00 0.00 C ATOM 1490 O ALA A 96 -2.369 16.781 -24.939 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.187 14.545 -23.014 1.00 0.00 C ATOM 0 H ALA A 96 -1.398 12.609 -24.522 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.190 14.658 -23.756 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.228 15.515 -22.518 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.433 13.761 -22.298 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.183 14.379 -23.403 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.150 15.358 -26.186 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.809 16.359 -27.190 1.00 0.00 C ATOM 1499 C GLU A 97 -2.020 16.697 -28.055 1.00 0.00 C ATOM 1500 O GLU A 97 -2.216 17.847 -28.447 1.00 0.00 O ATOM 1501 CB GLU A 97 0.337 15.858 -28.072 1.00 0.00 C ATOM 1502 CG GLU A 97 0.595 16.731 -29.288 1.00 0.00 C ATOM 1503 CD GLU A 97 2.054 16.740 -29.702 1.00 0.00 C ATOM 1504 OE1 GLU A 97 2.443 15.880 -30.520 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.806 17.605 -29.208 1.00 0.00 O ATOM 0 H GLU A 97 -0.761 14.432 -26.364 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.491 17.263 -26.671 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.247 15.804 -27.475 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.112 14.844 -28.404 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.013 16.376 -30.121 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.276 17.751 -29.072 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.830 15.686 -28.349 1.00 0.00 N ATOM 1513 CA LYS A 98 -4.023 15.873 -29.166 1.00 0.00 C ATOM 1514 C LYS A 98 -4.906 16.977 -28.594 1.00 0.00 C ATOM 1515 O LYS A 98 -5.578 17.695 -29.335 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.815 14.567 -29.256 1.00 0.00 C ATOM 1517 CG LYS A 98 -5.214 14.194 -30.673 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.997 13.981 -31.558 1.00 0.00 C ATOM 1519 CE LYS A 98 -4.353 13.213 -32.821 1.00 0.00 C ATOM 1520 NZ LYS A 98 -3.991 11.773 -32.715 1.00 0.00 N ATOM 0 H LYS A 98 -2.682 14.727 -28.033 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.705 16.167 -30.166 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.218 13.760 -28.831 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.714 14.654 -28.645 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.815 13.285 -30.655 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.839 14.981 -31.095 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.568 14.946 -31.827 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.233 13.436 -31.003 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.422 13.306 -33.013 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.837 13.656 -33.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.250 11.284 -33.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.967 11.683 -32.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.503 11.344 -31.918 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.900 17.108 -27.271 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.700 18.126 -26.600 1.00 0.00 C ATOM 1536 C PHE A 99 -5.349 19.520 -27.113 1.00 0.00 C ATOM 1537 O PHE A 99 -6.155 20.447 -27.026 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.486 18.057 -25.087 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.285 16.977 -24.416 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.814 15.675 -24.369 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.509 17.264 -23.833 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.547 14.679 -23.752 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.246 16.272 -23.214 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.765 14.978 -23.175 1.00 0.00 C ATOM 0 H PHE A 99 -4.350 16.522 -26.643 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.750 17.932 -26.820 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.427 17.893 -24.885 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.749 19.019 -24.647 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.862 15.435 -24.820 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.891 18.274 -23.863 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.168 13.668 -23.721 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.197 16.509 -22.761 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.341 14.201 -22.694 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.141 19.660 -27.646 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.681 20.939 -28.174 1.00 0.00 C ATOM 1556 C LYS A 100 -4.636 21.462 -29.242 1.00 0.00 C ATOM 1557 O LYS A 100 -4.711 22.666 -29.485 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.274 20.797 -28.759 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.192 20.628 -27.706 1.00 0.00 C ATOM 1560 CD LYS A 100 0.177 21.003 -28.248 1.00 0.00 C ATOM 1561 CE LYS A 100 1.063 21.597 -27.163 1.00 0.00 C ATOM 1562 NZ LYS A 100 2.392 22.006 -27.694 1.00 0.00 N ATOM 0 H LYS A 100 -3.462 18.903 -27.724 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.656 21.654 -27.352 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.254 19.938 -29.430 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.049 21.677 -29.361 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.425 21.249 -26.841 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.177 19.594 -27.361 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.658 20.120 -28.668 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.064 21.721 -29.060 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.567 22.461 -26.722 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.200 20.867 -26.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.965 22.406 -26.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.877 21.177 -28.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.263 22.722 -28.437 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.365 20.549 -29.876 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.316 20.919 -30.917 1.00 0.00 C ATOM 1578 C ASN A 101 -7.581 21.519 -30.311 1.00 0.00 C ATOM 1579 O ASN A 101 -8.301 22.273 -30.966 1.00 0.00 O ATOM 1580 CB ASN A 101 -6.674 19.699 -31.767 1.00 0.00 C ATOM 1581 CG ASN A 101 -5.476 18.809 -32.035 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.559 17.586 -31.925 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -4.352 19.422 -32.389 1.00 0.00 N ATOM 0 H ASN A 101 -5.315 19.548 -29.687 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.847 21.671 -31.552 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.447 19.121 -31.260 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.095 20.032 -32.716 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.512 18.876 -32.582 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.329 20.439 -32.468 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.846 21.180 -29.054 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.023 21.685 -28.356 1.00 0.00 C ATOM 1592 C LYS A 102 -8.627 22.389 -27.062 1.00 0.00 C ATOM 1593 O LYS A 102 -9.411 22.457 -26.116 1.00 0.00 O ATOM 1594 CB LYS A 102 -9.991 20.540 -28.051 1.00 0.00 C ATOM 1595 CG LYS A 102 -9.313 19.304 -27.485 1.00 0.00 C ATOM 1596 CD LYS A 102 -8.990 18.297 -28.576 1.00 0.00 C ATOM 1597 CE LYS A 102 -10.171 17.381 -28.857 1.00 0.00 C ATOM 1598 NZ LYS A 102 -11.112 17.977 -29.846 1.00 0.00 N ATOM 0 H LYS A 102 -7.261 20.557 -28.497 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.518 22.407 -29.005 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.742 20.889 -27.342 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.518 20.268 -28.965 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.396 19.594 -26.972 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.961 18.841 -26.741 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.712 18.824 -29.489 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.128 17.700 -28.278 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.807 16.424 -29.232 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.702 17.178 -27.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.589 17.218 -30.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.822 18.551 -29.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.583 18.579 -30.509 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.406 22.913 -27.028 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.928 23.607 -25.846 1.00 0.00 C ATOM 1614 C GLY A 103 -5.667 24.405 -26.111 1.00 0.00 C ATOM 1615 O GLY A 103 -5.473 25.479 -25.542 1.00 0.00 O ATOM 0 H GLY A 103 -6.739 22.869 -27.798 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.707 24.276 -25.481 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.735 22.881 -25.056 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.807 23.878 -26.976 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.556 24.548 -27.314 1.00 0.00 C ATOM 1621 C PHE A 104 -2.729 24.819 -26.061 1.00 0.00 C ATOM 1622 O PHE A 104 -1.900 25.729 -26.034 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.838 25.861 -28.046 1.00 0.00 C ATOM 1624 CG PHE A 104 -4.942 25.758 -29.059 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -6.258 25.996 -28.696 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -4.664 25.424 -30.375 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -7.276 25.901 -29.626 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -5.678 25.328 -31.309 1.00 0.00 C ATOM 1629 CZ PHE A 104 -6.985 25.568 -30.934 1.00 0.00 C ATOM 0 H PHE A 104 -4.953 22.990 -27.456 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.986 23.890 -27.969 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.097 26.627 -27.315 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.927 26.192 -28.545 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.491 26.259 -27.675 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.643 25.237 -30.674 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.298 26.087 -29.330 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.448 25.066 -32.331 1.00 0.00 H new ATOM 0 HZ PHE A 104 -7.779 25.495 -31.663 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.960 24.022 -25.023 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.237 24.173 -23.766 1.00 0.00 C ATOM 1641 C LYS A 105 -1.971 22.815 -23.124 1.00 0.00 C ATOM 1642 O LYS A 105 -2.801 22.296 -22.377 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.030 25.058 -22.801 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.161 25.795 -21.798 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.778 24.903 -20.629 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.804 25.599 -19.691 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.293 24.678 -18.639 1.00 0.00 N ATOM 0 H LYS A 105 -3.643 23.264 -25.028 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.279 24.647 -23.982 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.603 25.785 -23.376 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.748 24.440 -22.262 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.259 26.155 -22.293 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.694 26.671 -21.429 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.675 24.619 -20.078 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.329 23.983 -21.004 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.034 25.994 -20.265 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.298 26.449 -19.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.368 25.190 -18.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.090 24.320 -18.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.200 23.879 -19.087 1.00 0.00 H new ATOM 1661 N VAL A 106 -0.808 22.243 -23.419 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.431 20.947 -22.869 1.00 0.00 C ATOM 1663 C VAL A 106 0.920 21.019 -22.168 1.00 0.00 C ATOM 1664 O VAL A 106 1.845 21.673 -22.648 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.372 19.868 -23.967 1.00 0.00 C ATOM 1666 CG1 VAL A 106 0.048 18.529 -23.378 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.714 19.751 -24.673 1.00 0.00 C ATOM 0 H VAL A 106 -0.110 22.658 -24.037 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.198 20.675 -22.144 1.00 0.00 H new ATOM 0 HB VAL A 106 0.375 20.165 -24.703 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.084 17.779 -24.168 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.034 18.625 -22.923 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.673 18.223 -22.620 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.653 18.984 -25.445 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.483 19.478 -23.950 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.969 20.707 -25.130 1.00 0.00 H new ATOM 1677 N GLU A 107 1.027 20.340 -21.030 1.00 0.00 N ATOM 1678 CA GLU A 107 2.267 20.328 -20.262 1.00 0.00 C ATOM 1679 C GLU A 107 2.439 19.001 -19.528 1.00 0.00 C ATOM 1680 O GLU A 107 1.717 18.707 -18.575 1.00 0.00 O ATOM 1681 CB GLU A 107 2.284 21.484 -19.260 1.00 0.00 C ATOM 1682 CG GLU A 107 2.869 22.768 -19.823 1.00 0.00 C ATOM 1683 CD GLU A 107 4.357 22.661 -20.098 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.976 21.678 -19.640 1.00 0.00 O ATOM 1685 OE2 GLU A 107 4.902 23.560 -20.771 1.00 0.00 O ATOM 0 H GLU A 107 0.271 19.792 -20.620 1.00 0.00 H new ATOM 0 HA GLU A 107 3.097 20.449 -20.958 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.266 21.676 -18.922 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.860 21.186 -18.384 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.350 23.025 -20.747 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.691 23.582 -19.121 1.00 0.00 H new ATOM 1692 N THR A 108 3.402 18.202 -19.978 1.00 0.00 N ATOM 1693 CA THR A 108 3.669 16.907 -19.367 1.00 0.00 C ATOM 1694 C THR A 108 4.927 16.953 -18.507 1.00 0.00 C ATOM 1695 O THR A 108 5.888 17.649 -18.835 1.00 0.00 O ATOM 1696 CB THR A 108 3.828 15.805 -20.431 1.00 0.00 C ATOM 1697 OG1 THR A 108 5.066 15.976 -21.131 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.672 15.836 -21.420 1.00 0.00 C ATOM 0 H THR A 108 4.010 18.430 -20.764 1.00 0.00 H new ATOM 0 HA THR A 108 2.811 16.672 -18.738 1.00 0.00 H new ATOM 0 HB THR A 108 3.827 14.839 -19.925 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.902 15.947 -22.097 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.807 15.049 -22.162 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.734 15.677 -20.888 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.646 16.804 -21.920 1.00 0.00 H new ATOM 1706 N ASP A 109 4.914 16.208 -17.408 1.00 0.00 N ATOM 1707 CA ASP A 109 6.056 16.163 -16.502 1.00 0.00 C ATOM 1708 C ASP A 109 6.911 14.927 -16.766 1.00 0.00 C ATOM 1709 O ASP A 109 6.540 13.813 -16.396 1.00 0.00 O ATOM 1710 CB ASP A 109 5.581 16.169 -15.048 1.00 0.00 C ATOM 1711 CG ASP A 109 6.729 16.286 -14.064 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.762 16.887 -14.426 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.594 15.777 -12.932 1.00 0.00 O ATOM 0 H ASP A 109 4.126 15.627 -17.123 1.00 0.00 H new ATOM 0 HA ASP A 109 6.665 17.049 -16.681 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.891 17.000 -14.898 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.026 15.253 -14.847 1.00 0.00 H new ATOM 1718 N MET A 110 8.056 15.132 -17.408 1.00 0.00 N ATOM 1719 CA MET A 110 8.963 14.034 -17.721 1.00 0.00 C ATOM 1720 C MET A 110 9.470 13.367 -16.447 1.00 0.00 C ATOM 1721 O MET A 110 9.440 13.961 -15.368 1.00 0.00 O ATOM 1722 CB MET A 110 10.145 14.542 -18.550 1.00 0.00 C ATOM 1723 CG MET A 110 9.808 14.768 -20.014 1.00 0.00 C ATOM 1724 SD MET A 110 9.041 16.372 -20.311 1.00 0.00 S ATOM 1725 CE MET A 110 10.426 17.469 -20.016 1.00 0.00 C ATOM 0 H MET A 110 8.378 16.048 -17.722 1.00 0.00 H new ATOM 0 HA MET A 110 8.412 13.295 -18.302 1.00 0.00 H new ATOM 0 HB2 MET A 110 10.505 15.477 -18.120 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.962 13.824 -18.480 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.718 14.689 -20.609 1.00 0.00 H new ATOM 0 HG3 MET A 110 9.136 13.980 -20.354 1.00 0.00 H new ATOM 0 HE1 MET A 110 10.258 18.414 -20.533 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.523 17.653 -18.946 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.341 17.009 -20.390 1.00 0.00 H new TER 1735 MET A 110