USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 982 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 71 SER OG : rot 180:sc= -1.97! USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 LYS NZ :NH3+ 158:sc= -0.0701 (180deg=-0.399) USER MOD Set 2.2: A 68 SER OG : rot -170:sc= -1.01 USER MOD Set 3.1: A 62 TYR OH : rot 15:sc= -1.72! USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0.299 K(o=-1.4,f=-4.5!) USER MOD Set 4.1: A 52 LYS NZ :NH3+ -155:sc= 0.184 (180deg=-0.464) USER MOD Set 4.2: A 54 GLN : amide:sc= 0.281 K(o=0.47,f=-2.1) USER MOD Set 5.1: A 8 THR OG1 : rot 180:sc= -1.7! USER MOD Set 5.2: A 11 GLN : amide:sc=-0.00425 K(o=-1.7,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0288 (180deg=0) USER MOD Single : A 5 SER OG : rot -164:sc= 1.21 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 18 THR OG1 : rot 104:sc= 1.27 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0721) USER MOD Single : A 24 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.81) USER MOD Single : A 28 SER OG : rot 76:sc= 0.909 USER MOD Single : A 29 THR OG1 : rot 28:sc= 0.694 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 33 TYR OH : rot 88:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot -77:sc= 0.617 USER MOD Single : A 40 HIS : no HE2:sc= -0.0259 K(o=-0.026,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot -112:sc= 0.141 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.015) USER MOD Single : A 59 GLN : amide:sc= 0.124 K(o=0.12,f=-0.44) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0.687 K(o=0.69,f=-4.4!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 96:sc= 1.21 USER MOD Single : A 88 GLN :FLIP amide:sc= -1.49! C(o=-6.5!,f=-1.5!) USER MOD Single : A 92 SER OG : rot 84:sc= 1.3 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.0777 K(o=-0.078,f=-5.1!) USER MOD Single : A 100 THR OG1 : rot 73:sc= -1.45! USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= 0.994 (180deg=0.361) USER MOD Single : A 108 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.34) USER MOD Single : A 112 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.41) USER MOD Single : A 113 HIS : no HD1:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.14) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 116 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.5!) USER MOD Single : A 117 HIS : no HD1:sc= -0.0497 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.575 19.937 -0.094 1.00 0.00 N ATOM 2 CA MET A 1 11.151 19.534 -0.063 1.00 0.00 C ATOM 3 C MET A 1 10.882 18.494 -1.142 1.00 0.00 C ATOM 4 O MET A 1 11.467 18.555 -2.224 1.00 0.00 O ATOM 5 CB MET A 1 10.252 20.762 -0.284 1.00 0.00 C ATOM 6 CG MET A 1 8.775 20.430 -0.449 1.00 0.00 C ATOM 7 SD MET A 1 7.766 21.884 -0.792 1.00 0.00 S ATOM 8 CE MET A 1 6.156 21.124 -0.992 1.00 0.00 C ATOM 0 H1 MET A 1 13.069 19.528 0.724 1.00 0.00 H new ATOM 0 H2 MET A 1 13.014 19.593 -0.972 1.00 0.00 H new ATOM 0 H3 MET A 1 12.643 20.974 -0.057 1.00 0.00 H new ATOM 0 HA MET A 1 10.927 19.101 0.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.369 21.441 0.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.595 21.295 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.657 19.712 -1.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.412 19.948 0.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.415 21.893 -1.210 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.191 20.410 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.881 20.606 -0.073 1.00 0.00 H new ATOM 20 N ILE A 2 10.020 17.527 -0.842 1.00 0.00 N ATOM 21 CA ILE A 2 9.587 16.566 -1.846 1.00 0.00 C ATOM 22 C ILE A 2 8.643 17.259 -2.821 1.00 0.00 C ATOM 23 O ILE A 2 7.455 17.430 -2.547 1.00 0.00 O ATOM 24 CB ILE A 2 8.889 15.341 -1.212 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.803 14.691 -0.167 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.501 14.333 -2.290 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.170 13.525 0.558 1.00 0.00 C ATOM 0 H ILE A 2 9.611 17.390 0.082 1.00 0.00 H new ATOM 0 HA ILE A 2 10.469 16.198 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 2 7.979 15.676 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.715 14.350 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.097 15.445 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.011 13.476 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.819 14.803 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.396 13.999 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 2 9.878 13.118 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.274 13.863 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.901 12.752 -0.162 1.00 0.00 H new ATOM 39 N GLU A 3 9.203 17.697 -3.938 1.00 0.00 N ATOM 40 CA GLU A 3 8.481 18.518 -4.895 1.00 0.00 C ATOM 41 C GLU A 3 8.088 17.756 -6.174 1.00 0.00 C ATOM 42 O GLU A 3 6.957 17.897 -6.628 1.00 0.00 O ATOM 43 CB GLU A 3 9.320 19.749 -5.249 1.00 0.00 C ATOM 44 CG GLU A 3 8.611 20.740 -6.156 1.00 0.00 C ATOM 45 CD GLU A 3 9.458 21.957 -6.451 1.00 0.00 C ATOM 46 OE1 GLU A 3 9.501 22.876 -5.603 1.00 0.00 O ATOM 47 OE2 GLU A 3 10.100 21.993 -7.519 1.00 0.00 O ATOM 0 H GLU A 3 10.166 17.494 -4.205 1.00 0.00 H new ATOM 0 HA GLU A 3 7.548 18.820 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.608 20.257 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.240 19.422 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.348 20.248 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.678 21.054 -5.688 1.00 0.00 H new ATOM 54 N PRO A 4 8.995 16.941 -6.784 1.00 0.00 N ATOM 55 CA PRO A 4 8.721 16.257 -8.069 1.00 0.00 C ATOM 56 C PRO A 4 7.666 15.143 -7.977 1.00 0.00 C ATOM 57 O PRO A 4 7.771 14.124 -8.665 1.00 0.00 O ATOM 58 CB PRO A 4 10.080 15.654 -8.461 1.00 0.00 C ATOM 59 CG PRO A 4 11.080 16.318 -7.583 1.00 0.00 C ATOM 60 CD PRO A 4 10.354 16.635 -6.315 1.00 0.00 C ATOM 0 HA PRO A 4 8.310 16.961 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.086 14.574 -8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.300 15.835 -9.513 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.931 15.664 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.470 17.223 -8.048 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.363 15.793 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.802 17.481 -5.793 1.00 0.00 H new ATOM 68 N SER A 5 6.653 15.349 -7.146 1.00 0.00 N ATOM 69 CA SER A 5 5.531 14.430 -7.028 1.00 0.00 C ATOM 70 C SER A 5 4.473 15.052 -6.116 1.00 0.00 C ATOM 71 O SER A 5 4.648 15.110 -4.899 1.00 0.00 O ATOM 72 CB SER A 5 5.996 13.079 -6.473 1.00 0.00 C ATOM 73 OG SER A 5 5.117 12.034 -6.853 1.00 0.00 O ATOM 0 H SER A 5 6.587 16.162 -6.533 1.00 0.00 H new ATOM 0 HA SER A 5 5.101 14.254 -8.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.001 12.861 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.054 13.131 -5.386 1.00 0.00 H new ATOM 0 HG SER A 5 5.287 11.245 -6.297 1.00 0.00 H new ATOM 79 N LYS A 6 3.397 15.550 -6.713 1.00 0.00 N ATOM 80 CA LYS A 6 2.351 16.235 -5.960 1.00 0.00 C ATOM 81 C LYS A 6 1.158 15.325 -5.704 1.00 0.00 C ATOM 82 O LYS A 6 0.753 14.556 -6.579 1.00 0.00 O ATOM 83 CB LYS A 6 1.877 17.491 -6.695 1.00 0.00 C ATOM 84 CG LYS A 6 2.839 18.663 -6.610 1.00 0.00 C ATOM 85 CD LYS A 6 2.205 19.928 -7.172 1.00 0.00 C ATOM 86 CE LYS A 6 3.078 21.150 -6.934 1.00 0.00 C ATOM 87 NZ LYS A 6 4.322 21.124 -7.743 1.00 0.00 N ATOM 0 H LYS A 6 3.225 15.493 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 6 2.787 16.520 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.714 17.245 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.914 17.796 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.128 18.827 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.750 18.432 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.035 19.805 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.230 20.082 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.511 22.050 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.337 21.208 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.882 21.977 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.878 20.280 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.078 21.096 -8.754 1.00 0.00 H new ATOM 101 N ILE A 7 0.596 15.442 -4.501 1.00 0.00 N ATOM 102 CA ILE A 7 -0.587 14.683 -4.100 1.00 0.00 C ATOM 103 C ILE A 7 -0.325 13.184 -4.218 1.00 0.00 C ATOM 104 O ILE A 7 -0.839 12.505 -5.105 1.00 0.00 O ATOM 105 CB ILE A 7 -1.837 15.076 -4.925 1.00 0.00 C ATOM 106 CG1 ILE A 7 -2.018 16.597 -4.920 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.081 14.394 -4.364 1.00 0.00 C ATOM 108 CD1 ILE A 7 -3.161 17.080 -5.787 1.00 0.00 C ATOM 0 H ILE A 7 0.949 16.067 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.792 14.929 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.693 14.744 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.186 16.930 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.094 17.064 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.951 14.681 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.954 13.312 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.229 14.701 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.226 18.167 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.987 16.779 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.095 16.643 -5.435 1.00 0.00 H new ATOM 120 N THR A 8 0.512 12.684 -3.330 1.00 0.00 N ATOM 121 CA THR A 8 0.888 11.284 -3.345 1.00 0.00 C ATOM 122 C THR A 8 0.234 10.529 -2.197 1.00 0.00 C ATOM 123 O THR A 8 -0.448 11.127 -1.360 1.00 0.00 O ATOM 124 CB THR A 8 2.413 11.138 -3.247 1.00 0.00 C ATOM 125 OG1 THR A 8 2.888 11.781 -2.062 1.00 0.00 O ATOM 126 CG2 THR A 8 3.085 11.754 -4.457 1.00 0.00 C ATOM 0 H THR A 8 0.946 13.230 -2.586 1.00 0.00 H new ATOM 0 HA THR A 8 0.542 10.858 -4.287 1.00 0.00 H new ATOM 0 HB THR A 8 2.656 10.076 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.861 11.683 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.166 11.641 -4.370 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.739 11.252 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.834 12.813 -4.512 1.00 0.00 H new ATOM 134 N VAL A 9 0.447 9.219 -2.159 1.00 0.00 N ATOM 135 CA VAL A 9 -0.100 8.384 -1.100 1.00 0.00 C ATOM 136 C VAL A 9 0.465 8.794 0.258 1.00 0.00 C ATOM 137 O VAL A 9 -0.266 8.875 1.246 1.00 0.00 O ATOM 138 CB VAL A 9 0.202 6.886 -1.343 1.00 0.00 C ATOM 139 CG1 VAL A 9 -0.439 6.020 -0.267 1.00 0.00 C ATOM 140 CG2 VAL A 9 -0.265 6.458 -2.723 1.00 0.00 C ATOM 0 H VAL A 9 0.997 8.712 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.180 8.528 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 9 1.282 6.749 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.212 4.972 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.045 6.302 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.519 6.165 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.042 5.401 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.340 6.618 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.251 7.047 -3.481 1.00 0.00 H new ATOM 150 N GLU A 10 1.763 9.078 0.299 1.00 0.00 N ATOM 151 CA GLU A 10 2.422 9.401 1.556 1.00 0.00 C ATOM 152 C GLU A 10 1.961 10.759 2.079 1.00 0.00 C ATOM 153 O GLU A 10 1.800 10.933 3.283 1.00 0.00 O ATOM 154 CB GLU A 10 3.951 9.354 1.415 1.00 0.00 C ATOM 155 CG GLU A 10 4.550 10.473 0.578 1.00 0.00 C ATOM 156 CD GLU A 10 5.511 11.331 1.377 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.677 10.917 1.553 1.00 0.00 O ATOM 158 OE2 GLU A 10 5.097 12.409 1.854 1.00 0.00 O ATOM 0 H GLU A 10 2.374 9.091 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 10 2.136 8.643 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.394 9.387 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.232 8.398 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.072 10.045 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.749 11.098 0.183 1.00 0.00 H new ATOM 165 N GLN A 11 1.721 11.707 1.177 1.00 0.00 N ATOM 166 CA GLN A 11 1.239 13.026 1.576 1.00 0.00 C ATOM 167 C GLN A 11 -0.197 12.936 2.073 1.00 0.00 C ATOM 168 O GLN A 11 -0.607 13.672 2.974 1.00 0.00 O ATOM 169 CB GLN A 11 1.327 14.019 0.415 1.00 0.00 C ATOM 170 CG GLN A 11 2.729 14.197 -0.135 1.00 0.00 C ATOM 171 CD GLN A 11 2.794 15.247 -1.222 1.00 0.00 C ATOM 172 OE1 GLN A 11 2.562 14.954 -2.392 1.00 0.00 O ATOM 173 NE2 GLN A 11 3.121 16.473 -0.846 1.00 0.00 N ATOM 0 H GLN A 11 1.851 11.588 0.172 1.00 0.00 H new ATOM 0 HA GLN A 11 1.876 13.385 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.672 13.683 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.952 14.987 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.402 14.476 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.084 13.246 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.306 16.673 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.188 17.218 -1.539 1.00 0.00 H new ATOM 182 N TRP A 12 -0.961 12.030 1.478 1.00 0.00 N ATOM 183 CA TRP A 12 -2.331 11.793 1.904 1.00 0.00 C ATOM 184 C TRP A 12 -2.340 11.189 3.305 1.00 0.00 C ATOM 185 O TRP A 12 -3.022 11.687 4.202 1.00 0.00 O ATOM 186 CB TRP A 12 -3.044 10.868 0.911 1.00 0.00 C ATOM 187 CG TRP A 12 -4.497 10.644 1.223 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.510 11.556 1.118 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.103 9.425 1.669 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.703 10.980 1.485 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.479 9.672 1.823 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.613 8.146 1.955 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.371 8.688 2.250 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.499 7.173 2.378 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.864 7.448 2.521 1.00 0.00 C ATOM 0 H TRP A 12 -0.654 11.448 0.699 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.866 12.742 1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.958 11.291 -0.090 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.533 9.905 0.895 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.390 12.579 0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.608 11.450 1.503 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.562 7.923 1.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.424 8.898 2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.131 6.183 2.602 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.530 6.665 2.852 1.00 0.00 H new ATOM 206 N LEU A 13 -1.550 10.137 3.494 1.00 0.00 N ATOM 207 CA LEU A 13 -1.457 9.468 4.785 1.00 0.00 C ATOM 208 C LEU A 13 -0.829 10.379 5.833 1.00 0.00 C ATOM 209 O LEU A 13 -1.228 10.356 6.989 1.00 0.00 O ATOM 210 CB LEU A 13 -0.650 8.172 4.669 1.00 0.00 C ATOM 211 CG LEU A 13 -1.324 7.053 3.870 1.00 0.00 C ATOM 212 CD1 LEU A 13 -0.409 5.845 3.773 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.646 6.659 4.510 1.00 0.00 C ATOM 0 H LEU A 13 -0.963 9.729 2.766 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.471 9.224 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.309 8.401 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.439 7.803 5.673 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.522 7.424 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.903 5.059 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.517 6.129 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.183 5.479 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.109 5.863 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.468 6.308 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.310 7.523 4.535 1.00 0.00 H new ATOM 225 N ASN A 14 0.144 11.183 5.425 1.00 0.00 N ATOM 226 CA ASN A 14 0.816 12.104 6.343 1.00 0.00 C ATOM 227 C ASN A 14 -0.192 13.009 7.051 1.00 0.00 C ATOM 228 O ASN A 14 -0.138 13.185 8.270 1.00 0.00 O ATOM 229 CB ASN A 14 1.837 12.958 5.589 1.00 0.00 C ATOM 230 CG ASN A 14 2.596 13.911 6.496 1.00 0.00 C ATOM 231 OD1 ASN A 14 2.148 15.029 6.764 1.00 0.00 O ATOM 232 ND2 ASN A 14 3.759 13.484 6.961 1.00 0.00 N ATOM 0 H ASN A 14 0.488 11.219 4.465 1.00 0.00 H new ATOM 0 HA ASN A 14 1.332 11.507 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.547 12.304 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.324 13.531 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.319 14.086 7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.095 12.553 6.716 1.00 0.00 H new ATOM 239 N ARG A 15 -1.119 13.565 6.287 1.00 0.00 N ATOM 240 CA ARG A 15 -2.124 14.462 6.841 1.00 0.00 C ATOM 241 C ARG A 15 -3.243 13.673 7.511 1.00 0.00 C ATOM 242 O ARG A 15 -3.782 14.092 8.537 1.00 0.00 O ATOM 243 CB ARG A 15 -2.680 15.365 5.744 1.00 0.00 C ATOM 244 CG ARG A 15 -1.616 16.246 5.113 1.00 0.00 C ATOM 245 CD ARG A 15 -2.169 17.062 3.962 1.00 0.00 C ATOM 246 NE ARG A 15 -1.138 17.893 3.338 1.00 0.00 N ATOM 247 CZ ARG A 15 -1.210 18.338 2.085 1.00 0.00 C ATOM 248 NH1 ARG A 15 -2.201 17.943 1.299 1.00 0.00 N ATOM 249 NH2 ARG A 15 -0.274 19.146 1.610 1.00 0.00 N ATOM 0 H ARG A 15 -1.197 13.412 5.282 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.653 15.086 7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.141 14.749 4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.466 15.994 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.204 16.916 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.795 15.625 4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.597 16.393 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.978 17.697 4.323 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.320 18.145 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.908 17.299 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.257 18.283 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.505 19.429 2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.332 19.485 0.650 1.00 0.00 H new ATOM 263 N TRP A 16 -3.575 12.522 6.932 1.00 0.00 N ATOM 264 CA TRP A 16 -4.576 11.625 7.500 1.00 0.00 C ATOM 265 C TRP A 16 -4.151 11.180 8.899 1.00 0.00 C ATOM 266 O TRP A 16 -4.894 11.339 9.866 1.00 0.00 O ATOM 267 CB TRP A 16 -4.756 10.406 6.583 1.00 0.00 C ATOM 268 CG TRP A 16 -5.820 9.444 7.027 1.00 0.00 C ATOM 269 CD1 TRP A 16 -5.685 8.428 7.930 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.177 9.395 6.569 1.00 0.00 C ATOM 271 NE1 TRP A 16 -6.877 7.761 8.072 1.00 0.00 N ATOM 272 CE2 TRP A 16 -7.809 8.335 7.248 1.00 0.00 C ATOM 273 CE3 TRP A 16 -7.923 10.148 5.655 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -9.147 8.012 7.043 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -9.252 9.824 5.453 1.00 0.00 C ATOM 276 CH2 TRP A 16 -9.852 8.766 6.145 1.00 0.00 C ATOM 0 H TRP A 16 -3.161 12.187 6.062 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.526 12.153 7.580 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.996 10.755 5.579 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.807 9.874 6.517 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.774 8.185 8.456 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.042 6.967 8.691 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.469 10.967 5.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.613 7.195 7.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.837 10.397 4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.893 8.540 5.967 1.00 0.00 H new ATOM 287 N LEU A 17 -2.938 10.654 8.993 1.00 0.00 N ATOM 288 CA LEU A 17 -2.384 10.169 10.253 1.00 0.00 C ATOM 289 C LEU A 17 -2.336 11.271 11.305 1.00 0.00 C ATOM 290 O LEU A 17 -2.671 11.044 12.464 1.00 0.00 O ATOM 291 CB LEU A 17 -0.972 9.619 10.027 1.00 0.00 C ATOM 292 CG LEU A 17 -0.873 8.128 9.674 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.850 7.747 8.572 1.00 0.00 C ATOM 294 CD2 LEU A 17 0.550 7.789 9.256 1.00 0.00 C ATOM 0 H LEU A 17 -2.308 10.551 8.198 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.037 9.376 10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.505 10.192 9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.387 9.797 10.929 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.137 7.553 10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.751 6.685 8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.868 7.956 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.632 8.328 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.613 6.730 9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.825 8.384 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.233 8.010 10.076 1.00 0.00 H new ATOM 306 N THR A 18 -1.929 12.464 10.894 1.00 0.00 N ATOM 307 CA THR A 18 -1.778 13.577 11.821 1.00 0.00 C ATOM 308 C THR A 18 -3.127 14.025 12.392 1.00 0.00 C ATOM 309 O THR A 18 -3.228 14.376 13.570 1.00 0.00 O ATOM 310 CB THR A 18 -1.083 14.772 11.133 1.00 0.00 C ATOM 311 OG1 THR A 18 0.183 14.356 10.601 1.00 0.00 O ATOM 312 CG2 THR A 18 -0.871 15.921 12.106 1.00 0.00 C ATOM 0 H THR A 18 -1.698 12.686 9.926 1.00 0.00 H new ATOM 0 HA THR A 18 -1.157 13.226 12.645 1.00 0.00 H new ATOM 0 HB THR A 18 -1.728 15.120 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.111 14.251 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.380 16.747 11.592 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.835 16.255 12.491 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.246 15.586 12.934 1.00 0.00 H new ATOM 320 N ASP A 19 -4.163 13.987 11.566 1.00 0.00 N ATOM 321 CA ASP A 19 -5.478 14.477 11.967 1.00 0.00 C ATOM 322 C ASP A 19 -6.304 13.388 12.642 1.00 0.00 C ATOM 323 O ASP A 19 -6.959 13.630 13.657 1.00 0.00 O ATOM 324 CB ASP A 19 -6.228 15.013 10.745 1.00 0.00 C ATOM 325 CG ASP A 19 -7.627 15.493 11.074 1.00 0.00 C ATOM 326 OD1 ASP A 19 -7.769 16.625 11.579 1.00 0.00 O ATOM 327 OD2 ASP A 19 -8.593 14.754 10.796 1.00 0.00 O ATOM 0 H ASP A 19 -4.120 13.623 10.614 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.328 15.279 12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.661 15.835 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.287 14.230 9.989 1.00 0.00 H new ATOM 332 N TYR A 20 -6.255 12.186 12.090 1.00 0.00 N ATOM 333 CA TYR A 20 -7.090 11.090 12.563 1.00 0.00 C ATOM 334 C TYR A 20 -6.411 10.279 13.662 1.00 0.00 C ATOM 335 O TYR A 20 -6.954 9.265 14.103 1.00 0.00 O ATOM 336 CB TYR A 20 -7.474 10.172 11.403 1.00 0.00 C ATOM 337 CG TYR A 20 -8.457 10.793 10.434 1.00 0.00 C ATOM 338 CD1 TYR A 20 -8.022 11.526 9.337 1.00 0.00 C ATOM 339 CD2 TYR A 20 -9.823 10.643 10.621 1.00 0.00 C ATOM 340 CE1 TYR A 20 -8.924 12.089 8.453 1.00 0.00 C ATOM 341 CE2 TYR A 20 -10.730 11.203 9.743 1.00 0.00 C ATOM 342 CZ TYR A 20 -10.276 11.923 8.660 1.00 0.00 C ATOM 343 OH TYR A 20 -11.179 12.481 7.779 1.00 0.00 O ATOM 0 H TYR A 20 -5.644 11.943 11.311 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.989 11.535 12.989 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.572 9.890 10.860 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.904 9.254 11.805 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.963 11.658 9.172 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.184 10.078 11.468 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.570 12.656 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.790 11.077 9.905 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.091 12.270 8.068 1.00 0.00 H new ATOM 353 N ALA A 21 -5.235 10.718 14.101 1.00 0.00 N ATOM 354 CA ALA A 21 -4.546 10.060 15.207 1.00 0.00 C ATOM 355 C ALA A 21 -5.383 10.151 16.474 1.00 0.00 C ATOM 356 O ALA A 21 -5.763 9.129 17.053 1.00 0.00 O ATOM 357 CB ALA A 21 -3.175 10.678 15.436 1.00 0.00 C ATOM 0 H ALA A 21 -4.742 11.521 13.711 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.408 9.010 14.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.681 10.171 16.265 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.572 10.571 14.534 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.288 11.736 15.673 1.00 0.00 H new ATOM 363 N LYS A 22 -5.662 11.389 16.891 1.00 0.00 N ATOM 364 CA LYS A 22 -6.535 11.670 18.030 1.00 0.00 C ATOM 365 C LYS A 22 -5.886 11.240 19.358 1.00 0.00 C ATOM 366 O LYS A 22 -4.843 10.575 19.363 1.00 0.00 O ATOM 367 CB LYS A 22 -7.901 11.001 17.807 1.00 0.00 C ATOM 368 CG LYS A 22 -8.570 11.460 16.518 1.00 0.00 C ATOM 369 CD LYS A 22 -9.885 10.744 16.263 1.00 0.00 C ATOM 370 CE LYS A 22 -10.432 11.077 14.882 1.00 0.00 C ATOM 371 NZ LYS A 22 -10.711 12.531 14.722 1.00 0.00 N ATOM 0 H LYS A 22 -5.287 12.226 16.445 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.689 12.747 18.103 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.772 9.919 17.781 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.554 11.224 18.651 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.748 12.534 16.566 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.896 11.286 15.680 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.739 9.667 16.350 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.611 11.030 17.024 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.716 10.761 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.348 10.512 14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.191 12.695 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.321 12.855 15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.816 13.060 14.741 1.00 0.00 H new ATOM 385 N PRO A 23 -6.468 11.651 20.506 1.00 0.00 N ATOM 386 CA PRO A 23 -5.914 11.350 21.833 1.00 0.00 C ATOM 387 C PRO A 23 -5.695 9.856 22.063 1.00 0.00 C ATOM 388 O PRO A 23 -6.476 9.018 21.605 1.00 0.00 O ATOM 389 CB PRO A 23 -6.967 11.896 22.811 1.00 0.00 C ATOM 390 CG PRO A 23 -8.188 12.135 21.991 1.00 0.00 C ATOM 391 CD PRO A 23 -7.698 12.450 20.608 1.00 0.00 C ATOM 0 HA PRO A 23 -4.928 11.799 21.958 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.166 11.183 23.612 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.624 12.817 23.282 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.834 11.257 21.986 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.775 12.960 22.395 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.427 12.169 19.847 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.500 13.514 20.482 1.00 0.00 H new ATOM 399 N HIS A 24 -4.628 9.532 22.785 1.00 0.00 N ATOM 400 CA HIS A 24 -4.280 8.148 23.065 1.00 0.00 C ATOM 401 C HIS A 24 -5.167 7.574 24.156 1.00 0.00 C ATOM 402 O HIS A 24 -4.786 7.520 25.324 1.00 0.00 O ATOM 403 CB HIS A 24 -2.811 8.019 23.472 1.00 0.00 C ATOM 404 CG HIS A 24 -1.851 8.244 22.344 1.00 0.00 C ATOM 405 ND1 HIS A 24 -0.727 9.035 22.454 1.00 0.00 N ATOM 406 CD2 HIS A 24 -1.849 7.766 21.078 1.00 0.00 C ATOM 407 CE1 HIS A 24 -0.079 9.036 21.303 1.00 0.00 C ATOM 408 NE2 HIS A 24 -0.739 8.271 20.454 1.00 0.00 N ATOM 0 H HIS A 24 -3.987 10.215 23.188 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.439 7.581 22.148 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.599 8.735 24.266 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.644 7.025 23.887 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.586 7.108 20.641 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.835 9.571 21.093 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.467 8.086 19.489 1.00 0.00 H new ATOM 417 N LEU A 25 -6.364 7.186 23.773 1.00 0.00 N ATOM 418 CA LEU A 25 -7.281 6.526 24.682 1.00 0.00 C ATOM 419 C LEU A 25 -7.886 5.330 23.971 1.00 0.00 C ATOM 420 O LEU A 25 -8.383 5.471 22.856 1.00 0.00 O ATOM 421 CB LEU A 25 -8.371 7.495 25.133 1.00 0.00 C ATOM 422 CG LEU A 25 -9.135 7.068 26.386 1.00 0.00 C ATOM 423 CD1 LEU A 25 -8.179 6.941 27.560 1.00 0.00 C ATOM 424 CD2 LEU A 25 -10.238 8.062 26.704 1.00 0.00 C ATOM 0 H LEU A 25 -6.729 7.317 22.830 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.747 6.191 25.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.917 8.469 25.316 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.083 7.623 24.317 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.595 6.097 26.201 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.732 6.636 28.448 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.419 6.193 27.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.699 7.902 27.744 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.770 7.741 27.599 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.802 9.047 26.875 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.934 8.113 25.867 1.00 0.00 H new ATOM 436 N ARG A 26 -7.816 4.156 24.603 1.00 0.00 N ATOM 437 CA ARG A 26 -8.194 2.901 23.951 1.00 0.00 C ATOM 438 C ARG A 26 -7.268 2.620 22.772 1.00 0.00 C ATOM 439 O ARG A 26 -7.606 1.852 21.870 1.00 0.00 O ATOM 440 CB ARG A 26 -9.659 2.931 23.489 1.00 0.00 C ATOM 441 CG ARG A 26 -10.653 2.660 24.605 1.00 0.00 C ATOM 442 CD ARG A 26 -10.442 1.273 25.183 1.00 0.00 C ATOM 443 NE ARG A 26 -11.408 0.945 26.226 1.00 0.00 N ATOM 444 CZ ARG A 26 -11.260 -0.076 27.068 1.00 0.00 C ATOM 445 NH1 ARG A 26 -10.177 -0.844 26.995 1.00 0.00 N ATOM 446 NH2 ARG A 26 -12.192 -0.334 27.978 1.00 0.00 N ATOM 0 H ARG A 26 -7.500 4.049 25.567 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.092 2.097 24.680 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.874 3.906 23.051 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.798 2.190 22.702 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.540 3.408 25.390 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.670 2.750 24.223 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.513 0.536 24.383 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.434 1.204 25.592 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.240 1.528 26.315 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.461 -0.651 26.295 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.062 -1.626 27.639 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.026 0.251 28.034 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.074 -1.117 28.621 1.00 0.00 H new ATOM 460 N GLN A 27 -6.077 3.222 22.821 1.00 0.00 N ATOM 461 CA GLN A 27 -5.095 3.112 21.748 1.00 0.00 C ATOM 462 C GLN A 27 -4.740 1.654 21.477 1.00 0.00 C ATOM 463 O GLN A 27 -4.593 1.258 20.325 1.00 0.00 O ATOM 464 CB GLN A 27 -3.835 3.921 22.090 1.00 0.00 C ATOM 465 CG GLN A 27 -3.208 3.562 23.429 1.00 0.00 C ATOM 466 CD GLN A 27 -1.999 4.415 23.760 1.00 0.00 C ATOM 467 OE1 GLN A 27 -1.272 4.860 22.873 1.00 0.00 O ATOM 468 NE2 GLN A 27 -1.778 4.654 25.041 1.00 0.00 N ATOM 0 H GLN A 27 -5.770 3.797 23.605 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.537 3.524 20.841 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.096 3.771 21.303 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.087 4.981 22.092 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.953 3.676 24.216 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.914 2.512 23.418 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.404 4.267 25.747 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.982 5.225 25.323 1.00 0.00 H new ATOM 477 N SER A 28 -4.608 0.870 22.548 1.00 0.00 N ATOM 478 CA SER A 28 -4.378 -0.571 22.448 1.00 0.00 C ATOM 479 C SER A 28 -3.190 -0.901 21.535 1.00 0.00 C ATOM 480 O SER A 28 -3.178 -1.947 20.887 1.00 0.00 O ATOM 481 CB SER A 28 -5.649 -1.249 21.921 1.00 0.00 C ATOM 482 OG SER A 28 -6.802 -0.777 22.609 1.00 0.00 O ATOM 0 H SER A 28 -4.657 1.215 23.506 1.00 0.00 H new ATOM 0 HA SER A 28 -4.136 -0.946 23.443 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.753 -1.055 20.854 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.566 -2.329 22.042 1.00 0.00 H new ATOM 0 HG SER A 28 -7.035 0.117 22.282 1.00 0.00 H new ATOM 488 N THR A 29 -2.184 -0.017 21.522 1.00 0.00 N ATOM 489 CA THR A 29 -1.022 -0.140 20.631 1.00 0.00 C ATOM 490 C THR A 29 -1.438 -0.411 19.179 1.00 0.00 C ATOM 491 O THR A 29 -0.784 -1.168 18.460 1.00 0.00 O ATOM 492 CB THR A 29 -0.026 -1.229 21.114 1.00 0.00 C ATOM 493 OG1 THR A 29 -0.712 -2.430 21.504 1.00 0.00 O ATOM 494 CG2 THR A 29 0.810 -0.720 22.280 1.00 0.00 C ATOM 0 H THR A 29 -2.152 0.803 22.128 1.00 0.00 H new ATOM 0 HA THR A 29 -0.512 0.823 20.666 1.00 0.00 H new ATOM 0 HB THR A 29 0.631 -1.460 20.276 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.550 -2.506 21.001 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.500 -1.500 22.601 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.375 0.158 21.967 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.154 -0.453 23.109 1.00 0.00 H new ATOM 502 N TRP A 30 -2.519 0.235 18.753 1.00 0.00 N ATOM 503 CA TRP A 30 -3.041 0.064 17.405 1.00 0.00 C ATOM 504 C TRP A 30 -2.109 0.675 16.363 1.00 0.00 C ATOM 505 O TRP A 30 -2.046 1.893 16.199 1.00 0.00 O ATOM 506 CB TRP A 30 -4.441 0.681 17.300 1.00 0.00 C ATOM 507 CG TRP A 30 -5.019 0.644 15.916 1.00 0.00 C ATOM 508 CD1 TRP A 30 -5.215 1.708 15.081 1.00 0.00 C ATOM 509 CD2 TRP A 30 -5.471 -0.514 15.205 1.00 0.00 C ATOM 510 NE1 TRP A 30 -5.762 1.281 13.895 1.00 0.00 N ATOM 511 CE2 TRP A 30 -5.932 -0.077 13.947 1.00 0.00 C ATOM 512 CE3 TRP A 30 -5.534 -1.877 15.509 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -6.444 -0.957 12.995 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -6.044 -2.748 14.563 1.00 0.00 C ATOM 515 CH2 TRP A 30 -6.493 -2.286 13.318 1.00 0.00 C ATOM 0 H TRP A 30 -3.053 0.886 19.329 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.107 -1.005 17.202 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -5.112 0.153 17.978 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.397 1.717 17.637 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.975 2.734 15.318 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.002 1.879 13.104 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.191 -2.243 16.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -6.790 -0.602 12.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -6.097 -3.803 14.788 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.885 -2.992 12.601 1.00 0.00 H new ATOM 526 N GLU A 31 -1.363 -0.188 15.692 1.00 0.00 N ATOM 527 CA GLU A 31 -0.527 0.213 14.568 1.00 0.00 C ATOM 528 C GLU A 31 -0.158 -1.007 13.735 1.00 0.00 C ATOM 529 O GLU A 31 0.846 -1.014 13.017 1.00 0.00 O ATOM 530 CB GLU A 31 0.728 0.939 15.052 1.00 0.00 C ATOM 531 CG GLU A 31 1.513 0.188 16.108 1.00 0.00 C ATOM 532 CD GLU A 31 2.720 0.967 16.571 1.00 0.00 C ATOM 533 OE1 GLU A 31 2.550 1.913 17.370 1.00 0.00 O ATOM 534 OE2 GLU A 31 3.839 0.663 16.111 1.00 0.00 O ATOM 0 H GLU A 31 -1.319 -1.184 15.909 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.091 0.906 13.944 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.378 1.126 14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.440 1.911 15.452 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.867 -0.021 16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.833 -0.774 15.707 1.00 0.00 H new ATOM 541 N SER A 32 -1.010 -2.024 13.819 1.00 0.00 N ATOM 542 CA SER A 32 -0.808 -3.279 13.112 1.00 0.00 C ATOM 543 C SER A 32 -0.678 -3.043 11.610 1.00 0.00 C ATOM 544 O SER A 32 0.270 -3.509 10.977 1.00 0.00 O ATOM 545 CB SER A 32 -1.989 -4.205 13.397 1.00 0.00 C ATOM 546 OG SER A 32 -2.335 -4.163 14.773 1.00 0.00 O ATOM 0 H SER A 32 -1.861 -1.999 14.381 1.00 0.00 H new ATOM 0 HA SER A 32 0.117 -3.739 13.461 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.845 -3.908 12.792 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.735 -5.226 13.111 1.00 0.00 H new ATOM 0 HG SER A 32 -3.094 -4.760 14.938 1.00 0.00 H new ATOM 552 N TYR A 33 -1.626 -2.298 11.052 1.00 0.00 N ATOM 553 CA TYR A 33 -1.608 -1.993 9.631 1.00 0.00 C ATOM 554 C TYR A 33 -0.636 -0.847 9.352 1.00 0.00 C ATOM 555 O TYR A 33 -0.020 -0.793 8.291 1.00 0.00 O ATOM 556 CB TYR A 33 -3.020 -1.640 9.132 1.00 0.00 C ATOM 557 CG TYR A 33 -3.454 -0.218 9.422 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.722 0.206 10.718 1.00 0.00 C ATOM 559 CD2 TYR A 33 -3.583 0.706 8.391 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.107 1.508 10.976 1.00 0.00 C ATOM 561 CE2 TYR A 33 -3.963 2.009 8.643 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.226 2.404 9.935 1.00 0.00 C ATOM 563 OH TYR A 33 -4.591 3.705 10.189 1.00 0.00 O ATOM 0 H TYR A 33 -2.413 -1.897 11.562 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.270 -2.877 9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.063 -1.807 8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.734 -2.324 9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.628 -0.493 11.536 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.382 0.399 7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.314 1.822 11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.053 2.715 7.831 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.792 4.237 10.385 1.00 0.00 H new ATOM 573 N GLU A 34 -0.495 0.048 10.332 1.00 0.00 N ATOM 574 CA GLU A 34 0.375 1.217 10.213 1.00 0.00 C ATOM 575 C GLU A 34 1.799 0.813 9.865 1.00 0.00 C ATOM 576 O GLU A 34 2.340 1.239 8.848 1.00 0.00 O ATOM 577 CB GLU A 34 0.381 2.002 11.529 1.00 0.00 C ATOM 578 CG GLU A 34 -0.908 2.753 11.815 1.00 0.00 C ATOM 579 CD GLU A 34 -1.082 3.975 10.937 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.140 4.308 10.184 1.00 0.00 O ATOM 581 OE2 GLU A 34 -2.155 4.610 11.012 1.00 0.00 O ATOM 0 H GLU A 34 -0.980 -0.018 11.227 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.015 1.842 9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.575 1.311 12.350 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.206 2.714 11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.754 2.082 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.921 3.058 12.861 1.00 0.00 H new ATOM 588 N THR A 35 2.384 -0.020 10.715 1.00 0.00 N ATOM 589 CA THR A 35 3.775 -0.430 10.581 1.00 0.00 C ATOM 590 C THR A 35 4.082 -1.022 9.211 1.00 0.00 C ATOM 591 O THR A 35 4.868 -0.462 8.449 1.00 0.00 O ATOM 592 CB THR A 35 4.142 -1.452 11.666 1.00 0.00 C ATOM 593 OG1 THR A 35 3.056 -2.372 11.857 1.00 0.00 O ATOM 594 CG2 THR A 35 4.460 -0.756 12.975 1.00 0.00 C ATOM 0 H THR A 35 1.907 -0.431 11.518 1.00 0.00 H new ATOM 0 HA THR A 35 4.376 0.472 10.698 1.00 0.00 H new ATOM 0 HB THR A 35 5.027 -1.998 11.340 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.352 -1.942 12.386 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.717 -1.500 13.729 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.302 -0.078 12.832 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.590 -0.189 13.306 1.00 0.00 H new ATOM 602 N VAL A 36 3.452 -2.148 8.902 1.00 0.00 N ATOM 603 CA VAL A 36 3.721 -2.860 7.654 1.00 0.00 C ATOM 604 C VAL A 36 3.495 -1.966 6.430 1.00 0.00 C ATOM 605 O VAL A 36 4.269 -2.016 5.469 1.00 0.00 O ATOM 606 CB VAL A 36 2.874 -4.151 7.523 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.221 -5.132 8.629 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.385 -3.842 7.541 1.00 0.00 C ATOM 0 H VAL A 36 2.751 -2.590 9.497 1.00 0.00 H new ATOM 0 HA VAL A 36 4.773 -3.144 7.689 1.00 0.00 H new ATOM 0 HB VAL A 36 3.112 -4.606 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.616 -6.032 8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.277 -5.395 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.020 -4.674 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.820 -4.769 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.126 -3.353 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.140 -3.182 6.709 1.00 0.00 H new ATOM 618 N LEU A 37 2.459 -1.134 6.488 1.00 0.00 N ATOM 619 CA LEU A 37 2.118 -0.250 5.384 1.00 0.00 C ATOM 620 C LEU A 37 3.212 0.793 5.184 1.00 0.00 C ATOM 621 O LEU A 37 3.905 0.785 4.166 1.00 0.00 O ATOM 622 CB LEU A 37 0.778 0.442 5.661 1.00 0.00 C ATOM 623 CG LEU A 37 0.135 1.141 4.464 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.326 0.119 3.436 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.027 2.014 4.920 1.00 0.00 C ATOM 0 H LEU A 37 1.839 -1.055 7.294 1.00 0.00 H new ATOM 0 HA LEU A 37 2.030 -0.844 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.078 -0.301 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.926 1.177 6.452 1.00 0.00 H new ATOM 0 HG LEU A 37 0.880 1.783 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.782 0.634 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.530 -0.461 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.057 -0.550 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.474 2.505 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.776 1.394 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.663 2.768 5.618 1.00 0.00 H new ATOM 637 N ARG A 38 3.392 1.657 6.180 1.00 0.00 N ATOM 638 CA ARG A 38 4.332 2.768 6.064 1.00 0.00 C ATOM 639 C ARG A 38 5.743 2.267 5.764 1.00 0.00 C ATOM 640 O ARG A 38 6.425 2.799 4.888 1.00 0.00 O ATOM 641 CB ARG A 38 4.327 3.636 7.336 1.00 0.00 C ATOM 642 CG ARG A 38 4.768 2.905 8.597 1.00 0.00 C ATOM 643 CD ARG A 38 4.746 3.812 9.817 1.00 0.00 C ATOM 644 NE ARG A 38 3.394 4.245 10.173 1.00 0.00 N ATOM 645 CZ ARG A 38 3.126 5.078 11.181 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.113 5.545 11.938 1.00 0.00 N ATOM 647 NH2 ARG A 38 1.871 5.433 11.434 1.00 0.00 N ATOM 0 H ARG A 38 2.901 1.609 7.073 1.00 0.00 H new ATOM 0 HA ARG A 38 4.006 3.387 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.982 4.493 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.322 4.028 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.114 2.050 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.775 2.512 8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.190 3.287 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.365 4.688 9.625 1.00 0.00 H new ATOM 0 HE ARG A 38 2.613 3.891 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.076 5.267 11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.908 6.182 12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.112 5.069 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.666 6.070 12.204 1.00 0.00 H new ATOM 661 N LEU A 39 6.146 1.212 6.459 1.00 0.00 N ATOM 662 CA LEU A 39 7.497 0.675 6.355 1.00 0.00 C ATOM 663 C LEU A 39 7.803 0.166 4.947 1.00 0.00 C ATOM 664 O LEU A 39 8.894 0.387 4.420 1.00 0.00 O ATOM 665 CB LEU A 39 7.673 -0.467 7.362 1.00 0.00 C ATOM 666 CG LEU A 39 9.058 -1.111 7.406 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.084 -0.137 7.962 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.014 -2.384 8.231 1.00 0.00 C ATOM 0 H LEU A 39 5.547 0.704 7.110 1.00 0.00 H new ATOM 0 HA LEU A 39 8.194 1.484 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.438 -0.088 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.941 -1.242 7.135 1.00 0.00 H new ATOM 0 HG LEU A 39 9.358 -1.369 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.064 -0.614 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.127 0.748 7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.798 0.155 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.006 -2.836 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.696 -2.148 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.308 -3.084 7.783 1.00 0.00 H new ATOM 680 N HIS A 40 6.842 -0.513 4.335 1.00 0.00 N ATOM 681 CA HIS A 40 7.106 -1.202 3.078 1.00 0.00 C ATOM 682 C HIS A 40 6.622 -0.428 1.854 1.00 0.00 C ATOM 683 O HIS A 40 7.327 -0.365 0.846 1.00 0.00 O ATOM 684 CB HIS A 40 6.480 -2.599 3.097 1.00 0.00 C ATOM 685 CG HIS A 40 7.078 -3.503 4.129 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.442 -3.819 5.306 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.263 -4.156 4.157 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.209 -4.626 6.017 1.00 0.00 C ATOM 689 NE2 HIS A 40 8.322 -4.847 5.342 1.00 0.00 N ATOM 0 H HIS A 40 5.887 -0.602 4.681 1.00 0.00 H new ATOM 0 HA HIS A 40 8.190 -1.282 2.991 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.410 -2.507 3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.596 -3.055 2.114 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.521 -3.483 5.587 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.022 -4.137 3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.967 -5.036 6.986 1.00 0.00 H new ATOM 698 N VAL A 41 5.436 0.164 1.925 1.00 0.00 N ATOM 699 CA VAL A 41 4.814 0.710 0.721 1.00 0.00 C ATOM 700 C VAL A 41 4.975 2.227 0.588 1.00 0.00 C ATOM 701 O VAL A 41 4.783 2.766 -0.499 1.00 0.00 O ATOM 702 CB VAL A 41 3.317 0.345 0.624 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.098 -1.135 0.897 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.472 1.205 1.550 1.00 0.00 C ATOM 0 H VAL A 41 4.894 0.278 2.782 1.00 0.00 H new ATOM 0 HA VAL A 41 5.351 0.244 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 41 2.994 0.550 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.035 -1.365 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.650 -1.725 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.452 -1.376 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.424 0.920 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.796 1.058 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.589 2.254 1.279 1.00 0.00 H new ATOM 714 N ILE A 42 5.328 2.923 1.664 1.00 0.00 N ATOM 715 CA ILE A 42 5.445 4.380 1.593 1.00 0.00 C ATOM 716 C ILE A 42 6.685 4.827 0.808 1.00 0.00 C ATOM 717 O ILE A 42 6.560 5.597 -0.141 1.00 0.00 O ATOM 718 CB ILE A 42 5.407 5.038 2.993 1.00 0.00 C ATOM 719 CG1 ILE A 42 3.973 5.011 3.532 1.00 0.00 C ATOM 720 CG2 ILE A 42 5.941 6.468 2.956 1.00 0.00 C ATOM 721 CD1 ILE A 42 2.982 5.757 2.663 1.00 0.00 C ATOM 0 H ILE A 42 5.534 2.516 2.576 1.00 0.00 H new ATOM 0 HA ILE A 42 4.570 4.727 1.044 1.00 0.00 H new ATOM 0 HB ILE A 42 6.055 4.468 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.650 3.974 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.962 5.443 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.899 6.898 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.973 6.462 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.332 7.066 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.989 5.694 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.280 6.803 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.963 5.312 1.668 1.00 0.00 H new ATOM 733 N PRO A 43 7.895 4.352 1.156 1.00 0.00 N ATOM 734 CA PRO A 43 9.116 4.734 0.434 1.00 0.00 C ATOM 735 C PRO A 43 9.138 4.213 -1.006 1.00 0.00 C ATOM 736 O PRO A 43 10.011 4.574 -1.795 1.00 0.00 O ATOM 737 CB PRO A 43 10.244 4.092 1.253 1.00 0.00 C ATOM 738 CG PRO A 43 9.630 3.752 2.567 1.00 0.00 C ATOM 739 CD PRO A 43 8.194 3.447 2.275 1.00 0.00 C ATOM 0 HA PRO A 43 9.203 5.817 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.632 3.202 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.081 4.779 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.128 2.896 3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.720 4.582 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.049 2.402 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.555 3.642 3.136 1.00 0.00 H new ATOM 747 N THR A 44 8.176 3.367 -1.342 1.00 0.00 N ATOM 748 CA THR A 44 8.101 2.786 -2.670 1.00 0.00 C ATOM 749 C THR A 44 6.956 3.386 -3.490 1.00 0.00 C ATOM 750 O THR A 44 7.187 4.101 -4.467 1.00 0.00 O ATOM 751 CB THR A 44 7.925 1.259 -2.575 1.00 0.00 C ATOM 752 OG1 THR A 44 6.923 0.947 -1.597 1.00 0.00 O ATOM 753 CG2 THR A 44 9.229 0.581 -2.196 1.00 0.00 C ATOM 0 H THR A 44 7.434 3.068 -0.709 1.00 0.00 H new ATOM 0 HA THR A 44 9.037 3.016 -3.179 1.00 0.00 H new ATOM 0 HB THR A 44 7.616 0.891 -3.553 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.341 0.499 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.075 -0.496 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.985 0.798 -2.951 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.565 0.954 -1.228 1.00 0.00 H new ATOM 761 N LEU A 45 5.723 3.106 -3.075 1.00 0.00 N ATOM 762 CA LEU A 45 4.541 3.545 -3.812 1.00 0.00 C ATOM 763 C LEU A 45 3.951 4.815 -3.211 1.00 0.00 C ATOM 764 O LEU A 45 3.173 5.515 -3.857 1.00 0.00 O ATOM 765 CB LEU A 45 3.465 2.447 -3.830 1.00 0.00 C ATOM 766 CG LEU A 45 3.728 1.256 -4.764 1.00 0.00 C ATOM 767 CD1 LEU A 45 4.077 1.741 -6.160 1.00 0.00 C ATOM 768 CD2 LEU A 45 4.824 0.355 -4.215 1.00 0.00 C ATOM 0 H LEU A 45 5.516 2.575 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 45 4.861 3.754 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.346 2.067 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.516 2.902 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 45 2.813 0.666 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.260 0.884 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.249 2.327 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.973 2.361 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.986 -0.478 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.747 0.926 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.525 -0.029 -3.240 1.00 0.00 H new ATOM 780 N GLY A 46 4.327 5.105 -1.973 1.00 0.00 N ATOM 781 CA GLY A 46 3.795 6.259 -1.275 1.00 0.00 C ATOM 782 C GLY A 46 4.165 7.562 -1.947 1.00 0.00 C ATOM 783 O GLY A 46 3.380 8.507 -1.953 1.00 0.00 O ATOM 0 H GLY A 46 4.997 4.556 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.709 6.178 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.167 6.264 -0.250 1.00 0.00 H new ATOM 787 N SER A 47 5.357 7.606 -2.526 1.00 0.00 N ATOM 788 CA SER A 47 5.832 8.792 -3.227 1.00 0.00 C ATOM 789 C SER A 47 5.200 8.909 -4.616 1.00 0.00 C ATOM 790 O SER A 47 5.576 9.771 -5.414 1.00 0.00 O ATOM 791 CB SER A 47 7.352 8.740 -3.353 1.00 0.00 C ATOM 792 OG SER A 47 7.962 8.572 -2.085 1.00 0.00 O ATOM 0 H SER A 47 6.017 6.828 -2.524 1.00 0.00 H new ATOM 0 HA SER A 47 5.540 9.669 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.638 7.918 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.714 9.658 -3.816 1.00 0.00 H new ATOM 0 HG SER A 47 8.936 8.540 -2.192 1.00 0.00 H new ATOM 798 N ILE A 48 4.238 8.044 -4.894 1.00 0.00 N ATOM 799 CA ILE A 48 3.562 8.029 -6.179 1.00 0.00 C ATOM 800 C ILE A 48 2.079 8.351 -5.998 1.00 0.00 C ATOM 801 O ILE A 48 1.434 7.831 -5.089 1.00 0.00 O ATOM 802 CB ILE A 48 3.719 6.649 -6.859 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.204 6.315 -7.029 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.006 6.620 -8.205 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.464 4.933 -7.588 1.00 0.00 C ATOM 0 H ILE A 48 3.906 7.337 -4.239 1.00 0.00 H new ATOM 0 HA ILE A 48 4.018 8.787 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 48 3.259 5.895 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.659 7.054 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.699 6.404 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.132 5.639 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.944 6.819 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.431 7.382 -8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.538 4.773 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.041 4.184 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.000 4.845 -8.570 1.00 0.00 H new ATOM 817 N PRO A 49 1.532 9.247 -6.832 1.00 0.00 N ATOM 818 CA PRO A 49 0.098 9.557 -6.834 1.00 0.00 C ATOM 819 C PRO A 49 -0.742 8.324 -7.161 1.00 0.00 C ATOM 820 O PRO A 49 -0.336 7.484 -7.969 1.00 0.00 O ATOM 821 CB PRO A 49 -0.047 10.612 -7.939 1.00 0.00 C ATOM 822 CG PRO A 49 1.323 11.174 -8.118 1.00 0.00 C ATOM 823 CD PRO A 49 2.267 10.044 -7.828 1.00 0.00 C ATOM 0 HA PRO A 49 -0.250 9.903 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.415 10.167 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.758 11.388 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.462 11.550 -9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.494 12.011 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.490 9.464 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.218 10.403 -7.435 1.00 0.00 H new ATOM 831 N LEU A 50 -1.920 8.229 -6.555 1.00 0.00 N ATOM 832 CA LEU A 50 -2.771 7.054 -6.715 1.00 0.00 C ATOM 833 C LEU A 50 -3.282 6.933 -8.147 1.00 0.00 C ATOM 834 O LEU A 50 -3.600 5.842 -8.610 1.00 0.00 O ATOM 835 CB LEU A 50 -3.942 7.083 -5.729 1.00 0.00 C ATOM 836 CG LEU A 50 -3.549 6.938 -4.256 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.404 8.303 -3.599 1.00 0.00 C ATOM 838 CD2 LEU A 50 -4.563 6.082 -3.516 1.00 0.00 C ATOM 0 H LEU A 50 -2.308 8.951 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.162 6.177 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.481 8.022 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.634 6.281 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.582 6.438 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.124 8.176 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.632 8.874 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.352 8.838 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.268 5.990 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.546 6.549 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.604 5.092 -3.970 1.00 0.00 H new ATOM 850 N LYS A 51 -3.327 8.049 -8.858 1.00 0.00 N ATOM 851 CA LYS A 51 -3.727 8.041 -10.264 1.00 0.00 C ATOM 852 C LYS A 51 -2.632 7.439 -11.149 1.00 0.00 C ATOM 853 O LYS A 51 -2.798 7.318 -12.362 1.00 0.00 O ATOM 854 CB LYS A 51 -4.093 9.454 -10.737 1.00 0.00 C ATOM 855 CG LYS A 51 -5.573 9.792 -10.574 1.00 0.00 C ATOM 856 CD LYS A 51 -6.036 9.653 -9.133 1.00 0.00 C ATOM 857 CE LYS A 51 -7.542 9.837 -9.004 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.978 11.208 -9.372 1.00 0.00 N ATOM 0 H LYS A 51 -3.093 8.971 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.612 7.412 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.500 10.179 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.819 9.558 -11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.751 10.812 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.167 9.135 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.756 8.670 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.525 10.391 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.050 9.114 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.845 9.625 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.000 11.304 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.465 11.903 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.775 11.378 -10.378 1.00 0.00 H new ATOM 872 N LYS A 52 -1.514 7.068 -10.531 1.00 0.00 N ATOM 873 CA LYS A 52 -0.444 6.365 -11.227 1.00 0.00 C ATOM 874 C LYS A 52 -0.148 5.037 -10.524 1.00 0.00 C ATOM 875 O LYS A 52 0.806 4.334 -10.861 1.00 0.00 O ATOM 876 CB LYS A 52 0.823 7.228 -11.277 1.00 0.00 C ATOM 877 CG LYS A 52 1.915 6.648 -12.164 1.00 0.00 C ATOM 878 CD LYS A 52 3.282 7.207 -11.817 1.00 0.00 C ATOM 879 CE LYS A 52 4.382 6.519 -12.613 1.00 0.00 C ATOM 880 NZ LYS A 52 4.411 5.043 -12.391 1.00 0.00 N ATOM 0 H LYS A 52 -1.326 7.244 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.766 6.164 -12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.562 8.223 -11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.212 7.348 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.929 5.563 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.688 6.865 -13.208 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.301 8.278 -12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.469 7.080 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.238 6.721 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.347 6.944 -12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.368 4.682 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.151 4.835 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.734 4.582 -13.032 1.00 0.00 H new ATOM 894 N LEU A 53 -0.982 4.690 -9.552 1.00 0.00 N ATOM 895 CA LEU A 53 -0.780 3.477 -8.777 1.00 0.00 C ATOM 896 C LEU A 53 -1.114 2.257 -9.637 1.00 0.00 C ATOM 897 O LEU A 53 -2.279 1.907 -9.831 1.00 0.00 O ATOM 898 CB LEU A 53 -1.625 3.532 -7.492 1.00 0.00 C ATOM 899 CG LEU A 53 -1.325 2.469 -6.425 1.00 0.00 C ATOM 900 CD1 LEU A 53 -2.074 1.185 -6.717 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.173 2.199 -6.328 1.00 0.00 C ATOM 0 H LEU A 53 -1.803 5.232 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 53 0.265 3.393 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.494 4.515 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.675 3.447 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.666 2.856 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.845 0.447 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.146 1.382 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.770 0.800 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.358 1.443 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.541 1.842 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.692 3.119 -6.060 1.00 0.00 H new ATOM 913 N GLN A 54 -0.071 1.639 -10.176 1.00 0.00 N ATOM 914 CA GLN A 54 -0.217 0.532 -11.112 1.00 0.00 C ATOM 915 C GLN A 54 -0.136 -0.812 -10.395 1.00 0.00 C ATOM 916 O GLN A 54 0.679 -0.991 -9.489 1.00 0.00 O ATOM 917 CB GLN A 54 0.872 0.620 -12.185 1.00 0.00 C ATOM 918 CG GLN A 54 0.762 1.859 -13.061 1.00 0.00 C ATOM 919 CD GLN A 54 1.969 2.044 -13.957 1.00 0.00 C ATOM 920 OE1 GLN A 54 2.932 2.722 -13.591 1.00 0.00 O ATOM 921 NE2 GLN A 54 1.933 1.436 -15.131 1.00 0.00 N ATOM 0 H GLN A 54 0.897 1.890 -9.977 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.199 0.604 -11.580 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.849 0.612 -11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.822 -0.267 -12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.135 1.787 -13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.645 2.739 -12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.117 0.884 -15.395 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.722 1.519 -15.773 1.00 0.00 H new ATOM 930 N PRO A 55 -0.976 -1.781 -10.806 1.00 0.00 N ATOM 931 CA PRO A 55 -0.992 -3.128 -10.221 1.00 0.00 C ATOM 932 C PRO A 55 0.348 -3.840 -10.376 1.00 0.00 C ATOM 933 O PRO A 55 0.762 -4.600 -9.501 1.00 0.00 O ATOM 934 CB PRO A 55 -2.081 -3.863 -11.014 1.00 0.00 C ATOM 935 CG PRO A 55 -2.915 -2.786 -11.616 1.00 0.00 C ATOM 936 CD PRO A 55 -1.982 -1.637 -11.872 1.00 0.00 C ATOM 0 HA PRO A 55 -1.182 -3.098 -9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.646 -4.501 -11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.676 -4.506 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.381 -3.124 -12.541 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.720 -2.493 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.531 -1.697 -12.863 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.497 -0.678 -11.813 1.00 0.00 H new ATOM 944 N ALA A 56 1.028 -3.577 -11.489 1.00 0.00 N ATOM 945 CA ALA A 56 2.332 -4.177 -11.755 1.00 0.00 C ATOM 946 C ALA A 56 3.344 -3.776 -10.687 1.00 0.00 C ATOM 947 O ALA A 56 4.146 -4.593 -10.238 1.00 0.00 O ATOM 948 CB ALA A 56 2.830 -3.774 -13.136 1.00 0.00 C ATOM 0 H ALA A 56 0.696 -2.951 -12.223 1.00 0.00 H new ATOM 0 HA ALA A 56 2.219 -5.261 -11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.803 -4.229 -13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.122 -4.114 -13.892 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.922 -2.689 -13.187 1.00 0.00 H new ATOM 954 N ASP A 57 3.278 -2.519 -10.266 1.00 0.00 N ATOM 955 CA ASP A 57 4.191 -2.001 -9.253 1.00 0.00 C ATOM 956 C ASP A 57 3.852 -2.575 -7.884 1.00 0.00 C ATOM 957 O ASP A 57 4.733 -2.790 -7.053 1.00 0.00 O ATOM 958 CB ASP A 57 4.138 -0.472 -9.223 1.00 0.00 C ATOM 959 CG ASP A 57 5.459 0.160 -9.618 1.00 0.00 C ATOM 960 OD1 ASP A 57 6.041 -0.253 -10.643 1.00 0.00 O ATOM 961 OD2 ASP A 57 5.912 1.090 -8.921 1.00 0.00 O ATOM 0 H ASP A 57 2.601 -1.838 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 57 5.205 -2.308 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.356 -0.125 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.865 -0.140 -8.221 1.00 0.00 H new ATOM 966 N ILE A 58 2.566 -2.835 -7.665 1.00 0.00 N ATOM 967 CA ILE A 58 2.109 -3.486 -6.443 1.00 0.00 C ATOM 968 C ILE A 58 2.660 -4.908 -6.373 1.00 0.00 C ATOM 969 O ILE A 58 3.175 -5.341 -5.341 1.00 0.00 O ATOM 970 CB ILE A 58 0.567 -3.542 -6.373 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.030 -2.138 -6.439 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.115 -4.244 -5.101 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.542 -2.135 -6.460 1.00 0.00 C ATOM 0 H ILE A 58 1.820 -2.603 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 58 2.474 -2.898 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 58 0.210 -4.110 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.316 -1.562 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.341 -1.634 -7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.974 -4.274 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.506 -5.261 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.488 -3.701 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.903 -1.108 -6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.895 -2.684 -7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.919 -2.611 -5.555 1.00 0.00 H new ATOM 985 N GLN A 59 2.558 -5.623 -7.486 1.00 0.00 N ATOM 986 CA GLN A 59 3.074 -6.981 -7.572 1.00 0.00 C ATOM 987 C GLN A 59 4.594 -6.977 -7.417 1.00 0.00 C ATOM 988 O GLN A 59 5.170 -7.856 -6.771 1.00 0.00 O ATOM 989 CB GLN A 59 2.666 -7.613 -8.905 1.00 0.00 C ATOM 990 CG GLN A 59 2.999 -9.090 -9.007 1.00 0.00 C ATOM 991 CD GLN A 59 2.508 -9.710 -10.298 1.00 0.00 C ATOM 992 OE1 GLN A 59 2.435 -9.048 -11.335 1.00 0.00 O ATOM 993 NE2 GLN A 59 2.143 -10.981 -10.239 1.00 0.00 N ATOM 0 H GLN A 59 2.121 -5.283 -8.343 1.00 0.00 H new ATOM 0 HA GLN A 59 2.649 -7.576 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.593 -7.481 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.162 -7.081 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.079 -9.221 -8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.555 -9.618 -8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.219 -11.493 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.785 -11.448 -11.072 1.00 0.00 H new ATOM 1002 N ARG A 60 5.233 -5.963 -7.994 1.00 0.00 N ATOM 1003 CA ARG A 60 6.673 -5.777 -7.858 1.00 0.00 C ATOM 1004 C ARG A 60 7.049 -5.577 -6.394 1.00 0.00 C ATOM 1005 O ARG A 60 8.071 -6.083 -5.934 1.00 0.00 O ATOM 1006 CB ARG A 60 7.140 -4.574 -8.681 1.00 0.00 C ATOM 1007 CG ARG A 60 8.633 -4.306 -8.573 1.00 0.00 C ATOM 1008 CD ARG A 60 9.042 -3.072 -9.361 1.00 0.00 C ATOM 1009 NE ARG A 60 10.481 -2.825 -9.276 1.00 0.00 N ATOM 1010 CZ ARG A 60 11.159 -2.046 -10.120 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.534 -1.415 -11.108 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.468 -1.899 -9.972 1.00 0.00 N ATOM 0 H ARG A 60 4.772 -5.254 -8.564 1.00 0.00 H new ATOM 0 HA ARG A 60 7.168 -6.673 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.884 -4.739 -9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.596 -3.688 -8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.904 -4.175 -7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.185 -5.171 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.756 -3.196 -10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.501 -2.204 -8.983 1.00 0.00 H new ATOM 0 HE ARG A 60 10.999 -3.277 -8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.527 -1.524 -11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.061 -0.821 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.953 -2.381 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.990 -1.304 -10.615 1.00 0.00 H new ATOM 1026 N LEU A 61 6.208 -4.842 -5.668 1.00 0.00 N ATOM 1027 CA LEU A 61 6.425 -4.593 -4.250 1.00 0.00 C ATOM 1028 C LEU A 61 6.506 -5.919 -3.499 1.00 0.00 C ATOM 1029 O LEU A 61 7.417 -6.135 -2.699 1.00 0.00 O ATOM 1030 CB LEU A 61 5.288 -3.713 -3.694 1.00 0.00 C ATOM 1031 CG LEU A 61 5.507 -3.089 -2.307 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.335 -4.114 -1.196 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.878 -2.444 -2.225 1.00 0.00 C ATOM 0 H LEU A 61 5.366 -4.407 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 61 7.367 -4.063 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.105 -2.906 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.380 -4.316 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 61 4.747 -2.321 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.498 -3.635 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.326 -4.524 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.058 -4.919 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.016 -2.007 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.646 -3.198 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.958 -1.663 -2.981 1.00 0.00 H new ATOM 1045 N TYR A 62 5.563 -6.812 -3.783 1.00 0.00 N ATOM 1046 CA TYR A 62 5.526 -8.114 -3.130 1.00 0.00 C ATOM 1047 C TYR A 62 6.775 -8.921 -3.466 1.00 0.00 C ATOM 1048 O TYR A 62 7.422 -9.477 -2.579 1.00 0.00 O ATOM 1049 CB TYR A 62 4.275 -8.891 -3.547 1.00 0.00 C ATOM 1050 CG TYR A 62 2.978 -8.205 -3.179 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.788 -7.666 -1.913 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.944 -8.092 -4.101 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.604 -7.041 -1.575 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.758 -7.467 -3.769 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.595 -6.942 -2.507 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.584 -6.317 -2.173 1.00 0.00 O ATOM 0 H TYR A 62 4.816 -6.657 -4.460 1.00 0.00 H new ATOM 0 HA TYR A 62 5.495 -7.950 -2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.299 -9.048 -4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.299 -9.876 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.579 -7.737 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.070 -8.500 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.470 -6.632 -0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.037 -7.391 -4.496 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.459 -5.802 -1.348 1.00 0.00 H new ATOM 1066 N ALA A 63 7.117 -8.962 -4.747 1.00 0.00 N ATOM 1067 CA ALA A 63 8.270 -9.723 -5.214 1.00 0.00 C ATOM 1068 C ALA A 63 9.572 -9.188 -4.620 1.00 0.00 C ATOM 1069 O ALA A 63 10.439 -9.956 -4.200 1.00 0.00 O ATOM 1070 CB ALA A 63 8.336 -9.704 -6.735 1.00 0.00 C ATOM 0 H ALA A 63 6.610 -8.474 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 63 8.148 -10.752 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.202 -10.276 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.428 -10.148 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.425 -8.675 -7.082 1.00 0.00 H new ATOM 1076 N SER A 64 9.700 -7.870 -4.573 1.00 0.00 N ATOM 1077 CA SER A 64 10.911 -7.243 -4.066 1.00 0.00 C ATOM 1078 C SER A 64 11.066 -7.496 -2.568 1.00 0.00 C ATOM 1079 O SER A 64 12.168 -7.759 -2.082 1.00 0.00 O ATOM 1080 CB SER A 64 10.886 -5.738 -4.355 1.00 0.00 C ATOM 1081 OG SER A 64 12.152 -5.143 -4.117 1.00 0.00 O ATOM 0 H SER A 64 8.981 -7.215 -4.880 1.00 0.00 H new ATOM 0 HA SER A 64 11.768 -7.685 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.593 -5.570 -5.391 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.134 -5.258 -3.729 1.00 0.00 H new ATOM 0 HG SER A 64 12.104 -4.184 -4.312 1.00 0.00 H new ATOM 1087 N LYS A 65 9.958 -7.442 -1.840 1.00 0.00 N ATOM 1088 CA LYS A 65 9.990 -7.638 -0.397 1.00 0.00 C ATOM 1089 C LYS A 65 10.095 -9.116 -0.042 1.00 0.00 C ATOM 1090 O LYS A 65 10.506 -9.470 1.064 1.00 0.00 O ATOM 1091 CB LYS A 65 8.775 -6.990 0.270 1.00 0.00 C ATOM 1092 CG LYS A 65 9.006 -5.534 0.649 1.00 0.00 C ATOM 1093 CD LYS A 65 9.328 -4.673 -0.562 1.00 0.00 C ATOM 1094 CE LYS A 65 9.923 -3.334 -0.157 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.262 -3.492 0.471 1.00 0.00 N ATOM 0 H LYS A 65 9.030 -7.265 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 65 10.883 -7.146 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.922 -7.052 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.515 -7.555 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.118 -5.143 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.825 -5.472 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.028 -5.202 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.420 -4.507 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.006 -2.693 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.251 -2.834 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.789 -2.599 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.148 -3.742 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.787 -4.246 -0.016 1.00 0.00 H new ATOM 1109 N LEU A 66 9.727 -9.975 -0.983 1.00 0.00 N ATOM 1110 CA LEU A 66 9.968 -11.403 -0.839 1.00 0.00 C ATOM 1111 C LEU A 66 11.472 -11.653 -0.823 1.00 0.00 C ATOM 1112 O LEU A 66 11.978 -12.433 -0.015 1.00 0.00 O ATOM 1113 CB LEU A 66 9.316 -12.171 -1.991 1.00 0.00 C ATOM 1114 CG LEU A 66 9.445 -13.693 -1.924 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.676 -14.246 -0.735 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.956 -14.323 -3.221 1.00 0.00 C ATOM 0 H LEU A 66 9.262 -9.709 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 66 9.530 -11.753 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.257 -11.915 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.755 -11.828 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 66 10.497 -13.945 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.781 -15.331 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.073 -13.818 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.622 -13.986 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.054 -15.407 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.910 -14.062 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.554 -13.952 -4.054 1.00 0.00 H new ATOM 1128 N GLU A 67 12.179 -10.953 -1.708 1.00 0.00 N ATOM 1129 CA GLU A 67 13.633 -11.012 -1.764 1.00 0.00 C ATOM 1130 C GLU A 67 14.244 -10.427 -0.496 1.00 0.00 C ATOM 1131 O GLU A 67 15.351 -10.792 -0.104 1.00 0.00 O ATOM 1132 CB GLU A 67 14.151 -10.248 -2.985 1.00 0.00 C ATOM 1133 CG GLU A 67 13.836 -10.920 -4.310 1.00 0.00 C ATOM 1134 CD GLU A 67 14.550 -12.245 -4.464 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.781 -12.241 -4.677 1.00 0.00 O ATOM 1136 OE2 GLU A 67 13.893 -13.299 -4.359 1.00 0.00 O ATOM 0 H GLU A 67 11.760 -10.333 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 67 13.927 -12.058 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.720 -9.247 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.231 -10.130 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.760 -11.078 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.122 -10.258 -5.128 1.00 0.00 H new ATOM 1143 N SER A 68 13.517 -9.511 0.136 1.00 0.00 N ATOM 1144 CA SER A 68 13.959 -8.906 1.388 1.00 0.00 C ATOM 1145 C SER A 68 13.974 -9.937 2.516 1.00 0.00 C ATOM 1146 O SER A 68 14.668 -9.765 3.517 1.00 0.00 O ATOM 1147 CB SER A 68 13.047 -7.740 1.769 1.00 0.00 C ATOM 1148 OG SER A 68 12.960 -6.791 0.716 1.00 0.00 O ATOM 0 H SER A 68 12.616 -9.170 -0.200 1.00 0.00 H new ATOM 0 HA SER A 68 14.973 -8.534 1.241 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.052 -8.116 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.428 -7.256 2.668 1.00 0.00 H new ATOM 0 HG SER A 68 12.504 -5.986 1.038 1.00 0.00 H new ATOM 1154 N GLY A 69 13.206 -11.005 2.353 1.00 0.00 N ATOM 1155 CA GLY A 69 13.169 -12.044 3.359 1.00 0.00 C ATOM 1156 C GLY A 69 11.829 -12.145 4.053 1.00 0.00 C ATOM 1157 O GLY A 69 11.739 -12.650 5.172 1.00 0.00 O ATOM 0 H GLY A 69 12.609 -11.169 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.405 -13.001 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.943 -11.851 4.102 1.00 0.00 H new ATOM 1161 N LEU A 70 10.781 -11.662 3.401 1.00 0.00 N ATOM 1162 CA LEU A 70 9.443 -11.762 3.961 1.00 0.00 C ATOM 1163 C LEU A 70 8.816 -13.094 3.585 1.00 0.00 C ATOM 1164 O LEU A 70 8.804 -13.477 2.417 1.00 0.00 O ATOM 1165 CB LEU A 70 8.555 -10.607 3.487 1.00 0.00 C ATOM 1166 CG LEU A 70 8.893 -9.239 4.084 1.00 0.00 C ATOM 1167 CD1 LEU A 70 7.996 -8.168 3.488 1.00 0.00 C ATOM 1168 CD2 LEU A 70 8.744 -9.268 5.597 1.00 0.00 C ATOM 0 H LEU A 70 10.831 -11.201 2.492 1.00 0.00 H new ATOM 0 HA LEU A 70 9.526 -11.700 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.623 -10.539 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.519 -10.844 3.727 1.00 0.00 H new ATOM 0 HG LEU A 70 9.929 -9.002 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.247 -7.200 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.142 -8.131 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.954 -8.403 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.988 -8.287 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.717 -9.524 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.420 -10.014 6.015 1.00 0.00 H new ATOM 1180 N SER A 71 8.319 -13.807 4.582 1.00 0.00 N ATOM 1181 CA SER A 71 7.680 -15.089 4.355 1.00 0.00 C ATOM 1182 C SER A 71 6.330 -14.891 3.662 1.00 0.00 C ATOM 1183 O SER A 71 5.690 -13.848 3.828 1.00 0.00 O ATOM 1184 CB SER A 71 7.514 -15.828 5.684 1.00 0.00 C ATOM 1185 OG SER A 71 6.893 -15.001 6.649 1.00 0.00 O ATOM 0 H SER A 71 8.347 -13.517 5.559 1.00 0.00 H new ATOM 0 HA SER A 71 8.308 -15.694 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.917 -16.727 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.489 -16.150 6.049 1.00 0.00 H new ATOM 0 HG SER A 71 6.796 -15.495 7.490 1.00 0.00 H new ATOM 1191 N PRO A 72 5.891 -15.885 2.867 1.00 0.00 N ATOM 1192 CA PRO A 72 4.652 -15.805 2.084 1.00 0.00 C ATOM 1193 C PRO A 72 3.445 -15.357 2.903 1.00 0.00 C ATOM 1194 O PRO A 72 2.603 -14.615 2.407 1.00 0.00 O ATOM 1195 CB PRO A 72 4.442 -17.237 1.563 1.00 0.00 C ATOM 1196 CG PRO A 72 5.441 -18.077 2.287 1.00 0.00 C ATOM 1197 CD PRO A 72 6.573 -17.164 2.649 1.00 0.00 C ATOM 0 HA PRO A 72 4.742 -15.059 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.426 -17.580 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.594 -17.288 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.001 -18.523 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.788 -18.897 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.097 -17.502 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.313 -17.099 1.851 1.00 0.00 H new ATOM 1205 N THR A 73 3.368 -15.788 4.158 1.00 0.00 N ATOM 1206 CA THR A 73 2.231 -15.450 5.004 1.00 0.00 C ATOM 1207 C THR A 73 2.223 -13.966 5.374 1.00 0.00 C ATOM 1208 O THR A 73 1.162 -13.353 5.488 1.00 0.00 O ATOM 1209 CB THR A 73 2.208 -16.299 6.287 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.481 -16.232 6.945 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.869 -17.747 5.969 1.00 0.00 C ATOM 0 H THR A 73 4.075 -16.369 4.609 1.00 0.00 H new ATOM 0 HA THR A 73 1.336 -15.669 4.421 1.00 0.00 H new ATOM 0 HB THR A 73 1.439 -15.899 6.948 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.456 -16.774 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.858 -18.329 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.887 -17.796 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.618 -18.156 5.291 1.00 0.00 H new ATOM 1219 N ARG A 74 3.405 -13.385 5.540 1.00 0.00 N ATOM 1220 CA ARG A 74 3.505 -11.973 5.883 1.00 0.00 C ATOM 1221 C ARG A 74 3.204 -11.123 4.655 1.00 0.00 C ATOM 1222 O ARG A 74 2.557 -10.081 4.752 1.00 0.00 O ATOM 1223 CB ARG A 74 4.890 -11.639 6.441 1.00 0.00 C ATOM 1224 CG ARG A 74 5.330 -12.549 7.579 1.00 0.00 C ATOM 1225 CD ARG A 74 4.309 -12.600 8.710 1.00 0.00 C ATOM 1226 NE ARG A 74 4.214 -11.334 9.440 1.00 0.00 N ATOM 1227 CZ ARG A 74 4.806 -11.108 10.614 1.00 0.00 C ATOM 1228 NH1 ARG A 74 5.563 -12.046 11.173 1.00 0.00 N ATOM 1229 NH2 ARG A 74 4.634 -9.947 11.236 1.00 0.00 N ATOM 0 H ARG A 74 4.300 -13.865 5.444 1.00 0.00 H new ATOM 0 HA ARG A 74 2.772 -11.751 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.621 -11.702 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.891 -10.607 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.492 -13.556 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.285 -12.200 7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.331 -12.853 8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.580 -13.396 9.404 1.00 0.00 H new ATOM 0 HE ARG A 74 3.663 -10.581 9.027 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.693 -12.943 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.014 -11.869 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.048 -9.225 10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.088 -9.777 12.134 1.00 0.00 H new ATOM 1243 N VAL A 75 3.663 -11.589 3.495 1.00 0.00 N ATOM 1244 CA VAL A 75 3.348 -10.937 2.226 1.00 0.00 C ATOM 1245 C VAL A 75 1.851 -11.063 1.941 1.00 0.00 C ATOM 1246 O VAL A 75 1.222 -10.149 1.402 1.00 0.00 O ATOM 1247 CB VAL A 75 4.151 -11.558 1.060 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.841 -10.856 -0.254 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.643 -11.511 1.351 1.00 0.00 C ATOM 0 H VAL A 75 4.254 -12.416 3.408 1.00 0.00 H new ATOM 0 HA VAL A 75 3.624 -9.886 2.307 1.00 0.00 H new ATOM 0 HB VAL A 75 3.850 -12.601 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.420 -11.314 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.778 -10.950 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.103 -9.801 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.190 -11.953 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.956 -10.475 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.854 -12.071 2.262 1.00 0.00 H new ATOM 1259 N ARG A 76 1.297 -12.207 2.327 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.134 -12.469 2.217 1.00 0.00 C ATOM 1261 C ARG A 76 -0.916 -11.427 3.010 1.00 0.00 C ATOM 1262 O ARG A 76 -1.906 -10.879 2.524 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.429 -13.875 2.753 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.838 -14.387 2.499 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.020 -15.746 3.154 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.249 -16.428 2.749 1.00 0.00 N ATOM 1267 CZ ARG A 76 -3.621 -17.614 3.235 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -2.927 -18.176 4.221 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -4.693 -18.229 2.754 1.00 0.00 N ATOM 0 H ARG A 76 1.829 -12.981 2.726 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.439 -12.409 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.279 -14.572 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.246 -13.882 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.568 -13.681 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.019 -14.463 1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.166 -16.377 2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.023 -15.621 4.237 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.851 -15.975 2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.111 -17.700 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.211 -19.082 4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.238 -17.796 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.972 -19.135 3.129 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.446 -11.152 4.226 1.00 0.00 N ATOM 1284 CA TYR A 77 -1.051 -10.136 5.082 1.00 0.00 C ATOM 1285 C TYR A 77 -0.953 -8.756 4.437 1.00 0.00 C ATOM 1286 O TYR A 77 -1.935 -8.013 4.394 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.373 -10.129 6.457 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.857 -9.033 7.380 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.118 -9.087 7.959 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.045 -7.945 7.675 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.555 -8.086 8.807 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.474 -6.941 8.521 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.730 -7.015 9.083 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.159 -6.015 9.926 1.00 0.00 O ATOM 0 H TYR A 77 0.358 -11.623 4.641 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.106 -10.380 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.540 -11.093 6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.703 -10.024 6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.767 -9.923 7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.939 -7.883 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.538 -8.142 9.251 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.171 -6.103 8.741 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.456 -5.337 10.014 1.00 0.00 H new ATOM 1304 N ILE A 78 0.233 -8.423 3.934 1.00 0.00 N ATOM 1305 CA ILE A 78 0.447 -7.153 3.248 1.00 0.00 C ATOM 1306 C ILE A 78 -0.515 -7.007 2.069 1.00 0.00 C ATOM 1307 O ILE A 78 -1.064 -5.930 1.829 1.00 0.00 O ATOM 1308 CB ILE A 78 1.908 -7.011 2.755 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.873 -7.068 3.944 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.093 -5.709 1.984 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.335 -7.007 3.556 1.00 0.00 C ATOM 0 H ILE A 78 1.061 -9.016 3.989 1.00 0.00 H new ATOM 0 HA ILE A 78 0.252 -6.359 3.968 1.00 0.00 H new ATOM 0 HB ILE A 78 2.128 -7.840 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.652 -6.240 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.694 -7.988 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.126 -5.629 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.428 -5.700 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.857 -4.865 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.952 -7.053 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.575 -7.850 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.532 -6.075 3.027 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.737 -8.103 1.354 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.661 -8.108 0.227 1.00 0.00 C ATOM 1325 C HIS A 79 -3.081 -7.797 0.694 1.00 0.00 C ATOM 1326 O HIS A 79 -3.828 -7.108 0.006 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.628 -9.461 -0.496 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.520 -9.520 -1.705 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.592 -10.379 -1.812 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.489 -8.818 -2.862 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.178 -10.203 -2.983 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.527 -9.262 -3.636 1.00 0.00 N ATOM 0 H HIS A 79 -0.289 -9.001 1.535 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.346 -7.333 -0.471 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.604 -9.676 -0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.924 -10.244 0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.777 -8.050 -3.126 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.043 -10.739 -3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.759 -8.919 -4.568 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.438 -8.300 1.869 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.774 -8.100 2.415 1.00 0.00 C ATOM 1343 C VAL A 80 -4.948 -6.679 2.951 1.00 0.00 C ATOM 1344 O VAL A 80 -5.957 -6.026 2.680 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.083 -9.116 3.538 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.458 -8.860 4.138 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.997 -10.538 3.008 1.00 0.00 C ATOM 0 H VAL A 80 -2.819 -8.851 2.464 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.477 -8.257 1.597 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.337 -8.989 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.652 -9.588 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.491 -7.854 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.217 -8.955 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.217 -11.240 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.719 -10.670 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.992 -10.725 2.629 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.960 -6.197 3.698 1.00 0.00 N ATOM 1358 CA VAL A 81 -4.044 -4.870 4.302 1.00 0.00 C ATOM 1359 C VAL A 81 -3.983 -3.775 3.233 1.00 0.00 C ATOM 1360 O VAL A 81 -4.703 -2.775 3.309 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.943 -4.651 5.373 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.548 -4.671 4.763 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -3.180 -3.352 6.128 1.00 0.00 C ATOM 0 H VAL A 81 -3.096 -6.701 3.899 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.009 -4.807 4.806 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.003 -5.480 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.806 -4.514 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.373 -5.635 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.464 -3.878 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.397 -3.217 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.163 -2.516 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.150 -3.391 6.623 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.146 -3.977 2.220 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.046 -3.030 1.119 1.00 0.00 C ATOM 1375 C LEU A 82 -4.317 -3.084 0.279 1.00 0.00 C ATOM 1376 O LEU A 82 -4.784 -2.065 -0.237 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.815 -3.341 0.260 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.480 -2.300 -0.812 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.205 -0.944 -0.181 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.283 -2.749 -1.634 1.00 0.00 C ATOM 0 H LEU A 82 -2.530 -4.786 2.140 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.933 -2.023 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.953 -3.450 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.968 -4.304 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.342 -2.204 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.969 -0.221 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.087 -0.612 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.361 -1.026 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.059 -1.997 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.580 -2.875 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.511 -3.697 -2.121 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.877 -4.286 0.154 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.157 -4.482 -0.515 1.00 0.00 C ATOM 1394 C HIS A 83 -7.237 -3.658 0.174 1.00 0.00 C ATOM 1395 O HIS A 83 -7.969 -2.916 -0.478 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.532 -5.972 -0.504 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.875 -6.291 -1.087 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.989 -6.523 -0.311 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -8.278 -6.445 -2.371 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.016 -6.806 -1.087 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.613 -6.766 -2.342 1.00 0.00 N ATOM 0 H HIS A 83 -4.458 -5.144 0.512 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.073 -4.150 -1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.772 -6.527 -1.055 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.505 -6.331 0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.664 -6.336 -3.253 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.017 -7.032 -0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.198 -6.944 -3.158 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.300 -3.783 1.493 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.292 -3.086 2.301 1.00 0.00 C ATOM 1412 C GLU A 84 -8.189 -1.574 2.118 1.00 0.00 C ATOM 1413 O GLU A 84 -9.154 -0.918 1.722 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.095 -3.439 3.776 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.213 -2.944 4.672 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.526 -3.631 4.372 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -11.246 -3.182 3.455 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.837 -4.640 5.037 1.00 0.00 O ATOM 0 H GLU A 84 -6.665 -4.371 2.033 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.282 -3.403 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.014 -4.522 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.151 -3.016 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.945 -3.115 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.330 -1.868 4.545 1.00 0.00 H new ATOM 1425 N ALA A 85 -7.002 -1.038 2.391 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.767 0.400 2.338 1.00 0.00 C ATOM 1427 C ALA A 85 -7.121 0.977 0.971 1.00 0.00 C ATOM 1428 O ALA A 85 -7.808 1.996 0.875 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.318 0.709 2.682 1.00 0.00 C ATOM 0 H ALA A 85 -6.182 -1.585 2.653 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.418 0.871 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.155 1.786 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.098 0.349 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.661 0.214 1.967 1.00 0.00 H new ATOM 1435 N MET A 86 -6.676 0.309 -0.084 1.00 0.00 N ATOM 1436 CA MET A 86 -6.884 0.810 -1.436 1.00 0.00 C ATOM 1437 C MET A 86 -8.327 0.625 -1.896 1.00 0.00 C ATOM 1438 O MET A 86 -8.770 1.290 -2.830 1.00 0.00 O ATOM 1439 CB MET A 86 -5.916 0.142 -2.413 1.00 0.00 C ATOM 1440 CG MET A 86 -4.466 0.538 -2.181 1.00 0.00 C ATOM 1441 SD MET A 86 -4.203 2.316 -2.345 1.00 0.00 S ATOM 1442 CE MET A 86 -2.489 2.459 -1.839 1.00 0.00 C ATOM 0 H MET A 86 -6.172 -0.576 -0.031 1.00 0.00 H new ATOM 0 HA MET A 86 -6.682 1.881 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.009 -0.940 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.199 0.404 -3.432 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.160 0.219 -1.185 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.830 0.012 -2.893 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.181 3.503 -1.888 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.380 2.096 -0.817 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.863 1.864 -2.504 1.00 0.00 H new ATOM 1452 N SER A 87 -9.068 -0.265 -1.242 1.00 0.00 N ATOM 1453 CA SER A 87 -10.483 -0.428 -1.549 1.00 0.00 C ATOM 1454 C SER A 87 -11.254 0.792 -1.063 1.00 0.00 C ATOM 1455 O SER A 87 -12.118 1.317 -1.767 1.00 0.00 O ATOM 1456 CB SER A 87 -11.042 -1.701 -0.908 1.00 0.00 C ATOM 1457 OG SER A 87 -10.400 -2.854 -1.425 1.00 0.00 O ATOM 0 H SER A 87 -8.717 -0.877 -0.505 1.00 0.00 H new ATOM 0 HA SER A 87 -10.597 -0.521 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.906 -1.658 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.115 -1.764 -1.092 1.00 0.00 H new ATOM 0 HG SER A 87 -9.668 -3.116 -0.828 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.908 1.257 0.134 1.00 0.00 N ATOM 1464 CA GLN A 88 -11.519 2.455 0.690 1.00 0.00 C ATOM 1465 C GLN A 88 -11.108 3.679 -0.121 1.00 0.00 C ATOM 1466 O GLN A 88 -11.934 4.544 -0.415 1.00 0.00 O ATOM 1467 CB GLN A 88 -11.131 2.632 2.163 1.00 0.00 C ATOM 1468 CG GLN A 88 -11.536 1.467 3.063 1.00 0.00 C ATOM 1469 CD GLN A 88 -13.044 1.336 3.272 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -13.838 1.653 2.259 1.00 0.00 O flip ATOM 1471 NE2 GLN A 88 -13.492 0.916 4.339 1.00 0.00 N flip ATOM 0 H GLN A 88 -10.208 0.821 0.735 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.602 2.346 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.052 2.768 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.591 3.545 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.158 0.540 2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.054 1.587 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.857 0.680 5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -14.498 0.804 4.461 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.833 3.734 -0.497 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.324 4.800 -1.357 1.00 0.00 C ATOM 1482 C ALA A 89 -10.060 4.806 -2.697 1.00 0.00 C ATOM 1483 O ALA A 89 -10.388 5.865 -3.238 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.830 4.625 -1.573 1.00 0.00 C ATOM 0 H ALA A 89 -9.130 3.050 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.499 5.758 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.459 5.424 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.316 4.664 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.641 3.662 -2.047 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.321 3.614 -3.217 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.081 3.450 -4.449 1.00 0.00 C ATOM 1492 C ARG A 90 -12.472 4.061 -4.318 1.00 0.00 C ATOM 1493 O ARG A 90 -12.856 4.923 -5.107 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.213 1.967 -4.795 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.185 1.700 -5.930 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.543 0.231 -6.023 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.624 -0.001 -6.976 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.568 -0.926 -6.825 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.573 -1.711 -5.750 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -15.511 -1.060 -7.749 1.00 0.00 N ATOM 0 H ARG A 90 -10.013 2.736 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.543 3.966 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.232 1.575 -5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.540 1.422 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.091 2.287 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.745 2.028 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.664 -0.340 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.840 -0.134 -5.040 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.658 0.584 -7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.851 -1.605 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.299 -2.419 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.510 -0.455 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.237 -1.768 -7.638 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.216 3.614 -3.309 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.600 4.045 -3.113 1.00 0.00 C ATOM 1516 C GLU A 91 -14.685 5.533 -2.778 1.00 0.00 C ATOM 1517 O GLU A 91 -15.739 6.149 -2.924 1.00 0.00 O ATOM 1518 CB GLU A 91 -15.263 3.212 -2.013 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.313 1.727 -2.336 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.962 0.911 -1.240 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -15.325 0.711 -0.187 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -17.110 0.459 -1.426 1.00 0.00 O ATOM 0 H GLU A 91 -12.882 2.950 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.133 3.887 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.720 3.356 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.277 3.577 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.862 1.580 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.300 1.362 -2.503 1.00 0.00 H new ATOM 1529 N SER A 92 -13.569 6.109 -2.348 1.00 0.00 N ATOM 1530 CA SER A 92 -13.517 7.531 -2.033 1.00 0.00 C ATOM 1531 C SER A 92 -13.289 8.368 -3.293 1.00 0.00 C ATOM 1532 O SER A 92 -13.199 9.594 -3.230 1.00 0.00 O ATOM 1533 CB SER A 92 -12.420 7.802 -1.002 1.00 0.00 C ATOM 1534 OG SER A 92 -12.648 7.059 0.185 1.00 0.00 O ATOM 0 H SER A 92 -12.688 5.613 -2.210 1.00 0.00 H new ATOM 0 HA SER A 92 -14.478 7.822 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.449 7.538 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.388 8.866 -0.769 1.00 0.00 H new ATOM 0 HG SER A 92 -12.290 6.153 0.078 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.184 7.691 -4.433 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.064 8.374 -5.708 1.00 0.00 C ATOM 1542 C GLY A 93 -11.709 9.022 -5.918 1.00 0.00 C ATOM 1543 O GLY A 93 -11.529 9.802 -6.850 1.00 0.00 O ATOM 0 H GLY A 93 -13.180 6.673 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.246 7.661 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.839 9.138 -5.777 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.749 8.698 -5.061 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.419 9.285 -5.164 1.00 0.00 C ATOM 1549 C LEU A 94 -8.453 8.314 -5.831 1.00 0.00 C ATOM 1550 O LEU A 94 -7.277 8.617 -6.024 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.921 9.730 -3.779 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.785 8.637 -2.709 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.462 7.902 -2.836 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.917 9.239 -1.321 1.00 0.00 C ATOM 0 H LEU A 94 -10.865 8.037 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.473 10.172 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.948 10.206 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.603 10.492 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.588 7.916 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.396 7.135 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.398 7.435 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.640 8.608 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.819 8.453 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.134 9.983 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.893 9.714 -1.222 1.00 0.00 H new ATOM 1566 N LEU A 95 -8.963 7.148 -6.187 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.171 6.156 -6.894 1.00 0.00 C ATOM 1568 C LEU A 95 -8.737 5.943 -8.296 1.00 0.00 C ATOM 1569 O LEU A 95 -8.479 6.743 -9.194 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.108 4.846 -6.090 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.184 3.759 -6.651 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -5.836 4.339 -7.041 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.991 2.657 -5.625 1.00 0.00 C ATOM 0 H LEU A 95 -9.924 6.864 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.148 6.517 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.787 5.080 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.116 4.437 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.653 3.344 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.200 3.547 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.976 5.106 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.363 4.781 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.333 1.890 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.545 3.074 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.957 2.214 -5.381 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.531 4.894 -8.455 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.154 4.552 -9.731 1.00 0.00 C ATOM 1587 C LEU A 96 -10.806 3.189 -9.618 1.00 0.00 C ATOM 1588 O LEU A 96 -12.017 3.035 -9.785 1.00 0.00 O ATOM 1589 CB LEU A 96 -9.118 4.521 -10.869 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.630 3.981 -12.209 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -10.794 4.814 -12.721 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.505 3.958 -13.228 1.00 0.00 C ATOM 0 H LEU A 96 -9.764 4.250 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.898 5.314 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.743 5.533 -11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.272 3.912 -10.551 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.986 2.962 -12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.139 4.411 -13.673 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.609 4.784 -11.997 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.470 5.845 -12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.881 3.573 -14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.124 4.969 -13.373 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.701 3.316 -12.868 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.981 2.209 -9.302 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.407 0.823 -9.214 1.00 0.00 C ATOM 1606 C GLN A 97 -9.642 0.139 -8.099 1.00 0.00 C ATOM 1607 O GLN A 97 -8.949 0.803 -7.332 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.162 0.096 -10.539 1.00 0.00 C ATOM 1609 CG GLN A 97 -11.136 0.468 -11.644 1.00 0.00 C ATOM 1610 CD GLN A 97 -10.930 -0.361 -12.892 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -10.168 0.008 -13.785 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -11.611 -1.491 -12.962 1.00 0.00 N ATOM 0 H GLN A 97 -8.992 2.351 -9.098 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.476 0.792 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.148 0.311 -10.876 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.219 -0.979 -10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.157 0.335 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.019 1.524 -11.888 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.232 -1.760 -12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.515 -2.094 -13.779 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.772 -1.172 -7.996 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.028 -1.924 -7.000 1.00 0.00 C ATOM 1623 C ASN A 98 -7.914 -2.741 -7.665 1.00 0.00 C ATOM 1624 O ASN A 98 -8.126 -3.854 -8.144 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.968 -2.817 -6.171 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.741 -3.848 -6.988 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -11.032 -3.649 -8.171 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -11.105 -4.943 -6.343 1.00 0.00 N ATOM 0 H ASN A 98 -10.383 -1.736 -8.587 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.559 -1.219 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.381 -3.337 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.680 -2.183 -5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.647 -5.662 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.844 -5.069 -5.365 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.697 -2.182 -7.704 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.556 -2.834 -8.337 1.00 0.00 C ATOM 1637 C PRO A 99 -4.887 -3.843 -7.411 1.00 0.00 C ATOM 1638 O PRO A 99 -4.155 -4.723 -7.856 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.623 -1.666 -8.641 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.910 -0.656 -7.581 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.344 -0.857 -7.157 1.00 0.00 C ATOM 0 HA PRO A 99 -5.837 -3.410 -9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.579 -1.978 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.811 -1.259 -9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.236 -0.784 -6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.758 0.355 -7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.446 -0.833 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.991 -0.076 -7.555 1.00 0.00 H new ATOM 1649 N THR A 100 -5.171 -3.722 -6.123 1.00 0.00 N ATOM 1650 CA THR A 100 -4.599 -4.603 -5.121 1.00 0.00 C ATOM 1651 C THR A 100 -5.249 -5.980 -5.169 1.00 0.00 C ATOM 1652 O THR A 100 -4.704 -6.958 -4.661 1.00 0.00 O ATOM 1653 CB THR A 100 -4.761 -4.001 -3.717 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.085 -3.469 -3.567 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.735 -2.905 -3.478 1.00 0.00 C ATOM 0 H THR A 100 -5.801 -3.014 -5.746 1.00 0.00 H new ATOM 0 HA THR A 100 -3.537 -4.712 -5.341 1.00 0.00 H new ATOM 0 HB THR A 100 -4.600 -4.790 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.726 -4.206 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.869 -2.493 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.731 -3.320 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.868 -2.114 -4.216 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.420 -6.047 -5.783 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.117 -7.307 -5.951 1.00 0.00 C ATOM 1665 C GLU A 101 -6.729 -7.937 -7.281 1.00 0.00 C ATOM 1666 O GLU A 101 -6.743 -9.157 -7.438 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.626 -7.082 -5.877 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.444 -8.361 -5.854 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.880 -8.113 -5.455 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.130 -7.909 -4.246 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -11.759 -8.123 -6.335 1.00 0.00 O ATOM 0 H GLU A 101 -6.907 -5.240 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.832 -7.988 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.852 -6.503 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.935 -6.481 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.418 -8.825 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.992 -9.067 -5.157 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.357 -7.086 -8.232 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.954 -7.538 -9.555 1.00 0.00 C ATOM 1680 C ALA A 102 -4.514 -8.039 -9.537 1.00 0.00 C ATOM 1681 O ALA A 102 -4.137 -8.910 -10.321 1.00 0.00 O ATOM 1682 CB ALA A 102 -6.115 -6.412 -10.568 1.00 0.00 C ATOM 0 H ALA A 102 -6.327 -6.074 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.599 -8.366 -9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.810 -6.763 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.159 -6.099 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.492 -5.567 -10.275 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.716 -7.483 -8.640 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.332 -7.902 -8.488 1.00 0.00 C ATOM 1690 C ALA A 103 -2.205 -8.926 -7.369 1.00 0.00 C ATOM 1691 O ALA A 103 -2.780 -8.758 -6.292 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.439 -6.702 -8.210 1.00 0.00 C ATOM 0 H ALA A 103 -4.004 -6.739 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.009 -8.365 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.407 -7.034 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.506 -5.998 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.763 -6.212 -7.292 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.462 -9.990 -7.626 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.250 -11.029 -6.633 1.00 0.00 C ATOM 1700 C LYS A 104 0.242 -11.301 -6.488 1.00 0.00 C ATOM 1701 O LYS A 104 1.002 -11.069 -7.424 1.00 0.00 O ATOM 1702 CB LYS A 104 -1.972 -12.329 -7.024 1.00 0.00 C ATOM 1703 CG LYS A 104 -3.477 -12.183 -7.208 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.842 -11.887 -8.657 1.00 0.00 C ATOM 1705 CE LYS A 104 -5.333 -11.625 -8.824 1.00 0.00 C ATOM 1706 NZ LYS A 104 -6.168 -12.760 -8.348 1.00 0.00 N ATOM 0 H LYS A 104 -0.994 -10.157 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.660 -10.681 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.540 -12.705 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.783 -13.080 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.973 -13.099 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.846 -11.381 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.280 -11.020 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.549 -12.728 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.604 -10.723 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.550 -11.435 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.085 -12.746 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.681 -13.657 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.323 -12.671 -7.323 1.00 0.00 H new ATOM 1720 N PRO A 105 0.682 -11.757 -5.302 1.00 0.00 N ATOM 1721 CA PRO A 105 2.083 -12.148 -5.072 1.00 0.00 C ATOM 1722 C PRO A 105 2.617 -13.167 -6.101 1.00 0.00 C ATOM 1723 O PRO A 105 3.714 -12.979 -6.629 1.00 0.00 O ATOM 1724 CB PRO A 105 2.066 -12.741 -3.660 1.00 0.00 C ATOM 1725 CG PRO A 105 0.896 -12.099 -2.999 1.00 0.00 C ATOM 1726 CD PRO A 105 -0.131 -11.889 -4.081 1.00 0.00 C ATOM 0 HA PRO A 105 2.755 -11.296 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.961 -13.826 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.992 -12.523 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.501 -12.732 -2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.179 -11.151 -2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.822 -12.729 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.730 -10.997 -3.899 1.00 0.00 H new ATOM 1734 N PRO A 106 1.882 -14.274 -6.395 1.00 0.00 N ATOM 1735 CA PRO A 106 2.288 -15.223 -7.433 1.00 0.00 C ATOM 1736 C PRO A 106 1.926 -14.727 -8.832 1.00 0.00 C ATOM 1737 O PRO A 106 1.527 -13.576 -9.009 1.00 0.00 O ATOM 1738 CB PRO A 106 1.499 -16.503 -7.100 1.00 0.00 C ATOM 1739 CG PRO A 106 0.734 -16.209 -5.850 1.00 0.00 C ATOM 1740 CD PRO A 106 0.637 -14.715 -5.757 1.00 0.00 C ATOM 0 HA PRO A 106 3.368 -15.372 -7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.826 -16.768 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.172 -17.348 -6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.257 -16.661 -5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.242 -16.621 -4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.242 -14.333 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.569 -14.377 -4.723 1.00 0.00 H new ATOM 1748 N ARG A 107 2.061 -15.600 -9.820 1.00 0.00 N ATOM 1749 CA ARG A 107 1.766 -15.244 -11.200 1.00 0.00 C ATOM 1750 C ARG A 107 0.277 -15.430 -11.478 1.00 0.00 C ATOM 1751 O ARG A 107 -0.493 -14.473 -11.452 1.00 0.00 O ATOM 1752 CB ARG A 107 2.608 -16.098 -12.154 1.00 0.00 C ATOM 1753 CG ARG A 107 4.104 -15.985 -11.903 1.00 0.00 C ATOM 1754 CD ARG A 107 4.895 -16.992 -12.725 1.00 0.00 C ATOM 1755 NE ARG A 107 6.325 -16.952 -12.410 1.00 0.00 N ATOM 1756 CZ ARG A 107 6.968 -17.910 -11.734 1.00 0.00 C ATOM 1757 NH1 ARG A 107 6.322 -19.010 -11.364 1.00 0.00 N ATOM 1758 NH2 ARG A 107 8.256 -17.773 -11.438 1.00 0.00 N ATOM 0 H ARG A 107 2.374 -16.562 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 107 2.019 -14.196 -11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.308 -17.141 -12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.396 -15.800 -13.181 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.438 -14.976 -12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.307 -16.142 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.510 -17.995 -12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.751 -16.787 -13.786 1.00 0.00 H new ATOM 0 HE ARG A 107 6.863 -16.145 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.335 -19.124 -11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.813 -19.741 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.759 -16.934 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.742 -18.507 -10.922 1.00 0.00 H new ATOM 1772 N HIS A 108 -0.123 -16.674 -11.728 1.00 0.00 N ATOM 1773 CA HIS A 108 -1.531 -17.025 -11.863 1.00 0.00 C ATOM 1774 C HIS A 108 -1.691 -18.544 -11.936 1.00 0.00 C ATOM 1775 O HIS A 108 -1.470 -19.161 -12.976 1.00 0.00 O ATOM 1776 CB HIS A 108 -2.206 -16.320 -13.068 1.00 0.00 C ATOM 1777 CG HIS A 108 -1.696 -16.700 -14.433 1.00 0.00 C ATOM 1778 ND1 HIS A 108 -0.578 -16.139 -15.010 1.00 0.00 N ATOM 1779 CD2 HIS A 108 -2.193 -17.563 -15.353 1.00 0.00 C ATOM 1780 CE1 HIS A 108 -0.410 -16.642 -16.219 1.00 0.00 C ATOM 1781 NE2 HIS A 108 -1.378 -17.509 -16.455 1.00 0.00 N ATOM 0 H HIS A 108 0.516 -17.461 -11.842 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.048 -16.663 -10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.275 -16.529 -13.032 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -2.087 -15.243 -12.945 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.071 -18.181 -15.239 1.00 0.00 H new ATOM 0 HE1 HIS A 108 0.387 -16.387 -16.902 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.499 -18.048 -17.313 1.00 0.00 H new ATOM 1790 N PRO A 109 -2.032 -19.170 -10.806 1.00 0.00 N ATOM 1791 CA PRO A 109 -2.217 -20.616 -10.726 1.00 0.00 C ATOM 1792 C PRO A 109 -3.623 -21.045 -11.143 1.00 0.00 C ATOM 1793 O PRO A 109 -4.288 -20.364 -11.930 1.00 0.00 O ATOM 1794 CB PRO A 109 -1.986 -20.888 -9.242 1.00 0.00 C ATOM 1795 CG PRO A 109 -2.495 -19.667 -8.555 1.00 0.00 C ATOM 1796 CD PRO A 109 -2.259 -18.516 -9.500 1.00 0.00 C ATOM 0 HA PRO A 109 -1.553 -21.166 -11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.520 -21.780 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.930 -21.053 -9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -3.555 -19.766 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.974 -19.507 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.117 -17.844 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -1.398 -17.920 -9.197 1.00 0.00 H new ATOM 1804 N LEU A 110 -4.072 -22.174 -10.607 1.00 0.00 N ATOM 1805 CA LEU A 110 -5.417 -22.687 -10.863 1.00 0.00 C ATOM 1806 C LEU A 110 -6.458 -21.904 -10.061 1.00 0.00 C ATOM 1807 O LEU A 110 -7.326 -22.485 -9.409 1.00 0.00 O ATOM 1808 CB LEU A 110 -5.488 -24.179 -10.507 1.00 0.00 C ATOM 1809 CG LEU A 110 -4.881 -24.562 -9.151 1.00 0.00 C ATOM 1810 CD1 LEU A 110 -5.765 -25.572 -8.437 1.00 0.00 C ATOM 1811 CD2 LEU A 110 -3.483 -25.133 -9.339 1.00 0.00 C ATOM 0 H LEU A 110 -3.517 -22.760 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.637 -22.563 -11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.533 -24.488 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.979 -24.746 -11.287 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.814 -23.663 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.319 -25.832 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.752 -25.140 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.859 -26.470 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.065 -25.400 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.534 -26.021 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.846 -24.387 -9.815 1.00 0.00 H new ATOM 1823 N GLU A 111 -6.372 -20.584 -10.134 1.00 0.00 N ATOM 1824 CA GLU A 111 -7.230 -19.708 -9.352 1.00 0.00 C ATOM 1825 C GLU A 111 -8.668 -19.720 -9.868 1.00 0.00 C ATOM 1826 O GLU A 111 -9.584 -20.166 -9.175 1.00 0.00 O ATOM 1827 CB GLU A 111 -6.688 -18.275 -9.384 1.00 0.00 C ATOM 1828 CG GLU A 111 -7.468 -17.314 -8.502 1.00 0.00 C ATOM 1829 CD GLU A 111 -7.107 -15.863 -8.746 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -6.001 -15.443 -8.345 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -7.938 -15.130 -9.322 1.00 0.00 O ATOM 0 H GLU A 111 -5.709 -20.093 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.233 -20.079 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.645 -18.282 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.707 -17.910 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.535 -17.452 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.283 -17.558 -7.456 1.00 0.00 H new ATOM 1838 N HIS A 112 -8.860 -19.246 -11.091 1.00 0.00 N ATOM 1839 CA HIS A 112 -10.198 -19.018 -11.610 1.00 0.00 C ATOM 1840 C HIS A 112 -10.273 -19.321 -13.106 1.00 0.00 C ATOM 1841 O HIS A 112 -9.969 -18.466 -13.936 1.00 0.00 O ATOM 1842 CB HIS A 112 -10.595 -17.561 -11.335 1.00 0.00 C ATOM 1843 CG HIS A 112 -12.026 -17.228 -11.638 1.00 0.00 C ATOM 1844 ND1 HIS A 112 -13.064 -17.543 -10.793 1.00 0.00 N ATOM 1845 CD2 HIS A 112 -12.582 -16.567 -12.681 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -14.194 -17.095 -11.302 1.00 0.00 C ATOM 1847 NE2 HIS A 112 -13.934 -16.497 -12.448 1.00 0.00 N ATOM 0 H HIS A 112 -8.108 -19.013 -11.739 1.00 0.00 H new ATOM 0 HA HIS A 112 -10.893 -19.691 -11.108 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -10.400 -17.338 -10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -9.952 -16.907 -11.925 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.059 -16.168 -13.538 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.171 -17.200 -10.855 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.622 -16.056 -13.059 1.00 0.00 H new ATOM 1856 N HIS A 113 -10.649 -20.549 -13.443 1.00 0.00 N ATOM 1857 CA HIS A 113 -10.859 -20.917 -14.840 1.00 0.00 C ATOM 1858 C HIS A 113 -11.917 -22.011 -14.974 1.00 0.00 C ATOM 1859 O HIS A 113 -12.618 -22.081 -15.982 1.00 0.00 O ATOM 1860 CB HIS A 113 -9.543 -21.354 -15.511 1.00 0.00 C ATOM 1861 CG HIS A 113 -8.891 -22.559 -14.896 1.00 0.00 C ATOM 1862 ND1 HIS A 113 -7.857 -22.479 -13.992 1.00 0.00 N ATOM 1863 CD2 HIS A 113 -9.131 -23.881 -15.070 1.00 0.00 C ATOM 1864 CE1 HIS A 113 -7.491 -23.695 -13.635 1.00 0.00 C ATOM 1865 NE2 HIS A 113 -8.250 -24.567 -14.273 1.00 0.00 N ATOM 0 H HIS A 113 -10.814 -21.302 -12.775 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.222 -20.028 -15.356 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -9.740 -21.562 -16.563 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -8.840 -20.521 -15.477 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -9.879 -24.315 -15.717 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -6.703 -23.937 -12.938 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -8.191 -25.582 -14.187 1.00 0.00 H new ATOM 1874 N HIS A 114 -12.050 -22.855 -13.955 1.00 0.00 N ATOM 1875 CA HIS A 114 -12.988 -23.972 -14.025 1.00 0.00 C ATOM 1876 C HIS A 114 -14.305 -23.624 -13.337 1.00 0.00 C ATOM 1877 O HIS A 114 -14.594 -24.125 -12.251 1.00 0.00 O ATOM 1878 CB HIS A 114 -12.385 -25.236 -13.401 1.00 0.00 C ATOM 1879 CG HIS A 114 -13.218 -26.467 -13.612 1.00 0.00 C ATOM 1880 ND1 HIS A 114 -13.992 -27.035 -12.623 1.00 0.00 N ATOM 1881 CD2 HIS A 114 -13.397 -27.233 -14.712 1.00 0.00 C ATOM 1882 CE1 HIS A 114 -14.608 -28.095 -13.103 1.00 0.00 C ATOM 1883 NE2 HIS A 114 -14.265 -28.235 -14.367 1.00 0.00 N ATOM 0 H HIS A 114 -11.528 -22.789 -13.081 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.189 -24.168 -15.078 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.394 -25.402 -13.823 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.253 -25.076 -12.331 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -12.942 -27.083 -15.680 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.279 -28.739 -12.554 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -14.594 -28.973 -14.990 1.00 0.00 H new ATOM 1892 N HIS A 115 -15.076 -22.751 -13.980 1.00 0.00 N ATOM 1893 CA HIS A 115 -16.382 -22.310 -13.483 1.00 0.00 C ATOM 1894 C HIS A 115 -16.804 -21.090 -14.279 1.00 0.00 C ATOM 1895 O HIS A 115 -17.945 -20.967 -14.729 1.00 0.00 O ATOM 1896 CB HIS A 115 -16.322 -21.941 -11.995 1.00 0.00 C ATOM 1897 CG HIS A 115 -17.588 -22.235 -11.254 1.00 0.00 C ATOM 1898 ND1 HIS A 115 -18.509 -21.271 -10.910 1.00 0.00 N ATOM 1899 CD2 HIS A 115 -18.078 -23.403 -10.777 1.00 0.00 C ATOM 1900 CE1 HIS A 115 -19.507 -21.833 -10.255 1.00 0.00 C ATOM 1901 NE2 HIS A 115 -19.272 -23.127 -10.163 1.00 0.00 N ATOM 0 H HIS A 115 -14.812 -22.325 -14.868 1.00 0.00 H new ATOM 0 HA HIS A 115 -17.096 -23.125 -13.599 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -15.502 -22.486 -11.527 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -16.094 -20.879 -11.901 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -17.614 -24.374 -10.864 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -20.371 -21.319 -9.860 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -19.879 -23.810 -9.710 1.00 0.00 H new ATOM 1910 N HIS A 116 -15.846 -20.195 -14.440 1.00 0.00 N ATOM 1911 CA HIS A 116 -16.008 -18.983 -15.221 1.00 0.00 C ATOM 1912 C HIS A 116 -14.623 -18.498 -15.619 1.00 0.00 C ATOM 1913 O HIS A 116 -13.672 -18.665 -14.854 1.00 0.00 O ATOM 1914 CB HIS A 116 -16.721 -17.900 -14.400 1.00 0.00 C ATOM 1915 CG HIS A 116 -17.073 -16.661 -15.175 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -16.165 -15.663 -15.476 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -18.253 -16.256 -15.700 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -16.774 -14.704 -16.147 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -18.039 -15.041 -16.295 1.00 0.00 N ATOM 0 H HIS A 116 -14.919 -20.292 -14.025 1.00 0.00 H new ATOM 0 HA HIS A 116 -16.614 -19.189 -16.103 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -17.634 -18.322 -13.980 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -16.084 -17.620 -13.561 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -15.178 -15.667 -15.219 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -19.190 -16.792 -15.658 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -16.314 -13.798 -16.512 1.00 0.00 H new ATOM 1928 N HIS A 117 -14.495 -17.942 -16.809 1.00 0.00 N ATOM 1929 CA HIS A 117 -13.237 -17.337 -17.216 1.00 0.00 C ATOM 1930 C HIS A 117 -13.227 -15.874 -16.793 1.00 0.00 C ATOM 1931 O HIS A 117 -13.051 -15.000 -17.666 1.00 0.00 O ATOM 1932 CB HIS A 117 -13.035 -17.441 -18.734 1.00 0.00 C ATOM 1933 CG HIS A 117 -13.017 -18.840 -19.274 1.00 0.00 C ATOM 1934 ND1 HIS A 117 -13.021 -19.114 -20.622 1.00 0.00 N ATOM 1935 CD2 HIS A 117 -13.004 -20.044 -18.649 1.00 0.00 C ATOM 1936 CE1 HIS A 117 -13.014 -20.421 -20.805 1.00 0.00 C ATOM 1937 NE2 HIS A 117 -13.002 -21.010 -19.626 1.00 0.00 N ATOM 1938 OXT HIS A 117 -13.457 -15.602 -15.593 1.00 0.00 O ATOM 0 H HIS A 117 -15.238 -17.896 -17.506 1.00 0.00 H new ATOM 0 HA HIS A 117 -12.420 -17.872 -16.732 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -13.831 -16.886 -19.231 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -12.095 -16.954 -18.995 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -12.997 -20.212 -17.582 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -13.018 -20.924 -21.761 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -12.993 -22.017 -19.465 1.00 0.00 H new TER 1947 HIS A 117