USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -11.4! C(o=-13!,f=-14!) USER MOD Set 1.2: A 30 TYR OH : rot 165:sc= -1.58 USER MOD Single : A 1 LYS N :NH3+ 140:sc= -0.22 (180deg=-1.4!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.1) USER MOD Single : A 9 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.8!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.408 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.651 X(o=-0.65,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -125:sc=-0.00207 (180deg=-0.144) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.4!) USER MOD Single : A 40 CYS SG : rot 47:sc= -0.374 USER MOD Single : A 42 THR OG1 : rot -134:sc= 1.01 USER MOD Single : A 47 TYR OH : rot 5:sc= -4.72! USER MOD Single : A 55 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.6!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 SER OG : rot -114:sc= 0.913 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -47:sc= -2.4! USER MOD Single : A 65 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.3!) USER MOD Single : A 69 SER OG : rot 180:sc= -1.49! USER MOD Single : A 72 GLN :FLIP amide:sc=-0.00797 F(o=-1,f=-0.008) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -121:sc= -0.364 USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.138 USER MOD Single : A 89 SER OG : rot 32:sc= 0.121 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.186 4.169 10.998 1.00 0.00 N ATOM 2 CA LYS A 1 -7.160 3.652 9.600 1.00 0.00 C ATOM 3 C LYS A 1 -5.957 4.241 8.862 1.00 0.00 C ATOM 4 O LYS A 1 -6.081 4.791 7.780 1.00 0.00 O ATOM 5 CB LYS A 1 -8.448 4.057 8.882 1.00 0.00 C ATOM 6 CG LYS A 1 -8.611 5.576 8.946 1.00 0.00 C ATOM 7 CD LYS A 1 -10.015 5.918 9.448 1.00 0.00 C ATOM 8 CE LYS A 1 -9.959 7.189 10.297 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.343 7.686 10.539 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.167 4.378 11.273 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.792 3.452 11.641 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.617 5.038 11.058 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.080 2.565 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.417 3.727 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.305 3.569 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.861 6.005 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.450 6.012 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.689 6.062 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.413 5.092 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.464 6.984 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.370 7.953 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.306 8.550 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.800 7.897 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.890 6.958 11.041 1.00 0.00 H new ATOM 25 N LYS A 2 -4.792 4.141 9.437 1.00 0.00 N ATOM 26 CA LYS A 2 -3.593 4.700 8.768 1.00 0.00 C ATOM 27 C LYS A 2 -2.631 3.572 8.385 1.00 0.00 C ATOM 28 O LYS A 2 -2.422 2.630 9.124 1.00 0.00 O ATOM 29 CB LYS A 2 -2.920 5.717 9.707 1.00 0.00 C ATOM 30 CG LYS A 2 -1.616 5.165 10.300 1.00 0.00 C ATOM 31 CD LYS A 2 -0.861 6.292 11.008 1.00 0.00 C ATOM 32 CE LYS A 2 0.036 7.015 10.000 1.00 0.00 C ATOM 33 NZ LYS A 2 1.286 7.462 10.678 1.00 0.00 N ATOM 0 H LYS A 2 -4.622 3.697 10.339 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.883 5.212 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.710 6.635 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.605 5.977 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.835 4.362 11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.997 4.738 9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.567 6.994 11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.259 5.887 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.277 6.351 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.489 7.873 9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.896 7.953 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.047 8.110 11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.789 6.635 11.059 1.00 0.00 H new ATOM 47 N ALA A 3 -2.043 3.684 7.234 1.00 0.00 N ATOM 48 CA ALA A 3 -1.078 2.651 6.766 1.00 0.00 C ATOM 49 C ALA A 3 0.308 3.288 6.645 1.00 0.00 C ATOM 50 O ALA A 3 0.496 4.254 5.934 1.00 0.00 O ATOM 51 CB ALA A 3 -1.520 2.123 5.399 1.00 0.00 C ATOM 0 H ALA A 3 -2.190 4.457 6.585 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.044 1.825 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.814 1.367 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.513 1.681 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.548 2.945 4.683 1.00 0.00 H new ATOM 57 N VAL A 4 1.276 2.765 7.344 1.00 0.00 N ATOM 58 CA VAL A 4 2.644 3.354 7.278 1.00 0.00 C ATOM 59 C VAL A 4 3.586 2.424 6.512 1.00 0.00 C ATOM 60 O VAL A 4 3.894 1.337 6.957 1.00 0.00 O ATOM 61 CB VAL A 4 3.173 3.542 8.700 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.449 4.386 8.667 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.107 4.246 9.542 1.00 0.00 C ATOM 0 H VAL A 4 1.180 1.956 7.958 1.00 0.00 H new ATOM 0 HA VAL A 4 2.596 4.313 6.762 1.00 0.00 H new ATOM 0 HB VAL A 4 3.401 2.571 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.824 4.518 9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.204 3.881 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.229 5.361 8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.478 4.383 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.881 5.218 9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.202 3.639 9.565 1.00 0.00 H new ATOM 73 N ILE A 5 4.063 2.847 5.371 1.00 0.00 N ATOM 74 CA ILE A 5 5.000 1.984 4.599 1.00 0.00 C ATOM 75 C ILE A 5 6.434 2.324 4.998 1.00 0.00 C ATOM 76 O ILE A 5 7.036 3.239 4.472 1.00 0.00 O ATOM 77 CB ILE A 5 4.826 2.220 3.101 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.331 2.069 2.746 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.694 1.208 2.335 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.130 1.132 1.547 1.00 0.00 C ATOM 0 H ILE A 5 3.845 3.747 4.944 1.00 0.00 H new ATOM 0 HA ILE A 5 4.786 0.938 4.820 1.00 0.00 H new ATOM 0 HB ILE A 5 5.146 3.224 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.789 1.680 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.909 3.048 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.578 1.367 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.740 1.343 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.381 0.195 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.066 1.049 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.652 1.535 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.529 0.146 1.785 1.00 0.00 H new ATOM 92 N ASN A 6 6.981 1.597 5.927 1.00 0.00 N ATOM 93 CA ASN A 6 8.369 1.869 6.369 1.00 0.00 C ATOM 94 C ASN A 6 9.349 1.255 5.366 1.00 0.00 C ATOM 95 O ASN A 6 9.604 0.068 5.381 1.00 0.00 O ATOM 96 CB ASN A 6 8.571 1.239 7.745 1.00 0.00 C ATOM 97 CG ASN A 6 7.581 1.852 8.736 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.407 1.539 8.713 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.006 2.720 9.613 1.00 0.00 N ATOM 0 H ASN A 6 6.521 0.820 6.402 1.00 0.00 H new ATOM 0 HA ASN A 6 8.546 2.943 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.424 0.160 7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.593 1.404 8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.353 3.135 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.991 2.984 9.634 1.00 0.00 H new ATOM 106 N GLY A 7 9.894 2.054 4.488 1.00 0.00 N ATOM 107 CA GLY A 7 10.850 1.515 3.478 1.00 0.00 C ATOM 108 C GLY A 7 12.042 0.870 4.186 1.00 0.00 C ATOM 109 O GLY A 7 12.411 -0.253 3.903 1.00 0.00 O ATOM 0 H GLY A 7 9.718 3.057 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.350 0.781 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.194 2.317 2.825 1.00 0.00 H new ATOM 113 N GLU A 8 12.650 1.570 5.103 1.00 0.00 N ATOM 114 CA GLU A 8 13.820 0.995 5.826 1.00 0.00 C ATOM 115 C GLU A 8 13.517 -0.450 6.226 1.00 0.00 C ATOM 116 O GLU A 8 14.409 -1.255 6.403 1.00 0.00 O ATOM 117 CB GLU A 8 14.097 1.821 7.084 1.00 0.00 C ATOM 118 CG GLU A 8 14.628 3.199 6.685 1.00 0.00 C ATOM 119 CD GLU A 8 14.364 4.194 7.817 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.916 3.762 8.866 1.00 0.00 O ATOM 121 OE2 GLU A 8 14.615 5.371 7.615 1.00 0.00 O ATOM 0 H GLU A 8 12.388 2.515 5.383 1.00 0.00 H new ATOM 0 HA GLU A 8 14.693 1.016 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.184 1.927 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.823 1.309 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.697 3.143 6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.143 3.536 5.769 1.00 0.00 H new ATOM 128 N GLN A 9 12.265 -0.785 6.379 1.00 0.00 N ATOM 129 CA GLN A 9 11.909 -2.173 6.777 1.00 0.00 C ATOM 130 C GLN A 9 11.665 -3.029 5.533 1.00 0.00 C ATOM 131 O GLN A 9 12.069 -4.173 5.466 1.00 0.00 O ATOM 132 CB GLN A 9 10.636 -2.138 7.622 1.00 0.00 C ATOM 133 CG GLN A 9 10.871 -1.282 8.868 1.00 0.00 C ATOM 134 CD GLN A 9 11.782 -2.032 9.840 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.141 -3.168 9.602 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.175 -1.440 10.935 1.00 0.00 N ATOM 0 H GLN A 9 11.474 -0.155 6.245 1.00 0.00 H new ATOM 0 HA GLN A 9 12.729 -2.605 7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.811 -1.730 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.352 -3.150 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.325 -0.331 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.920 -1.052 9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.874 -0.486 11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.783 -1.931 11.590 1.00 0.00 H new ATOM 145 N ILE A 10 10.992 -2.493 4.555 1.00 0.00 N ATOM 146 CA ILE A 10 10.705 -3.283 3.329 1.00 0.00 C ATOM 147 C ILE A 10 11.949 -4.035 2.870 1.00 0.00 C ATOM 148 O ILE A 10 12.984 -3.458 2.603 1.00 0.00 O ATOM 149 CB ILE A 10 10.236 -2.364 2.202 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.858 -1.815 2.542 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.149 -3.167 0.902 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.839 -2.942 2.476 1.00 0.00 C ATOM 0 H ILE A 10 10.628 -1.540 4.553 1.00 0.00 H new ATOM 0 HA ILE A 10 9.919 -3.999 3.568 1.00 0.00 H new ATOM 0 HB ILE A 10 10.941 -1.541 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.865 -1.373 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.587 -1.023 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.815 -2.516 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.131 -3.573 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.439 -3.985 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.850 -2.553 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.826 -3.363 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.109 -3.719 3.191 1.00 0.00 H new ATOM 164 N ARG A 11 11.833 -5.323 2.753 1.00 0.00 N ATOM 165 CA ARG A 11 12.973 -6.148 2.284 1.00 0.00 C ATOM 166 C ARG A 11 12.670 -6.626 0.861 1.00 0.00 C ATOM 167 O ARG A 11 13.505 -7.206 0.196 1.00 0.00 O ATOM 168 CB ARG A 11 13.132 -7.354 3.208 1.00 0.00 C ATOM 169 CG ARG A 11 13.976 -6.960 4.419 1.00 0.00 C ATOM 170 CD ARG A 11 13.938 -8.084 5.457 1.00 0.00 C ATOM 171 NE ARG A 11 15.103 -7.954 6.376 1.00 0.00 N ATOM 172 CZ ARG A 11 15.118 -8.605 7.506 1.00 0.00 C ATOM 173 NH1 ARG A 11 15.385 -9.883 7.520 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.868 -7.979 8.623 1.00 0.00 N ATOM 0 H ARG A 11 10.984 -5.847 2.966 1.00 0.00 H new ATOM 0 HA ARG A 11 13.894 -5.565 2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.154 -7.708 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.607 -8.176 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.004 -6.769 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.597 -6.036 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.008 -8.038 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.961 -9.053 4.959 1.00 0.00 H new ATOM 0 HE ARG A 11 15.889 -7.356 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.582 -10.372 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.397 -10.392 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.661 -6.980 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.880 -8.488 9.507 1.00 0.00 H new ATOM 188 N SER A 12 11.471 -6.384 0.394 1.00 0.00 N ATOM 189 CA SER A 12 11.093 -6.816 -0.979 1.00 0.00 C ATOM 190 C SER A 12 9.624 -6.460 -1.231 1.00 0.00 C ATOM 191 O SER A 12 8.870 -6.176 -0.313 1.00 0.00 O ATOM 192 CB SER A 12 11.282 -8.328 -1.109 1.00 0.00 C ATOM 193 OG SER A 12 11.219 -8.921 0.182 1.00 0.00 O ATOM 0 H SER A 12 10.736 -5.902 0.911 1.00 0.00 H new ATOM 0 HA SER A 12 11.724 -6.310 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.510 -8.749 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.242 -8.547 -1.576 1.00 0.00 H new ATOM 0 HG SER A 12 11.338 -9.890 0.103 1.00 0.00 H new ATOM 199 N ILE A 13 9.205 -6.470 -2.466 1.00 0.00 N ATOM 200 CA ILE A 13 7.787 -6.132 -2.759 1.00 0.00 C ATOM 201 C ILE A 13 6.886 -6.904 -1.798 1.00 0.00 C ATOM 202 O ILE A 13 5.995 -6.348 -1.193 1.00 0.00 O ATOM 203 CB ILE A 13 7.446 -6.515 -4.199 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.035 -6.024 -4.539 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.500 -8.034 -4.345 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.848 -4.586 -4.042 1.00 0.00 C ATOM 0 H ILE A 13 9.779 -6.696 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 13 7.634 -5.060 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 13 8.165 -6.055 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.875 -6.069 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.293 -6.676 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.257 -8.310 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.502 -8.388 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.779 -8.491 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.843 -4.244 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.989 -4.553 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.580 -3.937 -4.523 1.00 0.00 H new ATOM 218 N SER A 14 7.119 -8.180 -1.637 1.00 0.00 N ATOM 219 CA SER A 14 6.278 -8.968 -0.697 1.00 0.00 C ATOM 220 C SER A 14 6.211 -8.212 0.625 1.00 0.00 C ATOM 221 O SER A 14 5.154 -8.009 1.189 1.00 0.00 O ATOM 222 CB SER A 14 6.908 -10.342 -0.472 1.00 0.00 C ATOM 223 OG SER A 14 6.715 -11.144 -1.629 1.00 0.00 O ATOM 0 H SER A 14 7.852 -8.706 -2.114 1.00 0.00 H new ATOM 0 HA SER A 14 5.277 -9.104 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.972 -10.236 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.458 -10.823 0.397 1.00 0.00 H new ATOM 0 HG SER A 14 7.120 -12.025 -1.487 1.00 0.00 H new ATOM 229 N ASP A 15 7.339 -7.773 1.109 1.00 0.00 N ATOM 230 CA ASP A 15 7.359 -7.008 2.376 1.00 0.00 C ATOM 231 C ASP A 15 6.388 -5.840 2.256 1.00 0.00 C ATOM 232 O ASP A 15 5.629 -5.546 3.156 1.00 0.00 O ATOM 233 CB ASP A 15 8.767 -6.474 2.619 1.00 0.00 C ATOM 234 CG ASP A 15 9.296 -7.011 3.950 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.886 -6.497 4.979 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.101 -7.927 3.920 1.00 0.00 O ATOM 0 H ASP A 15 8.251 -7.915 0.675 1.00 0.00 H new ATOM 0 HA ASP A 15 7.067 -7.651 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.427 -6.776 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.756 -5.384 2.633 1.00 0.00 H new ATOM 241 N LEU A 16 6.407 -5.178 1.135 1.00 0.00 N ATOM 242 CA LEU A 16 5.486 -4.029 0.927 1.00 0.00 C ATOM 243 C LEU A 16 4.047 -4.490 1.134 1.00 0.00 C ATOM 244 O LEU A 16 3.291 -3.901 1.882 1.00 0.00 O ATOM 245 CB LEU A 16 5.656 -3.518 -0.499 1.00 0.00 C ATOM 246 CG LEU A 16 5.044 -2.124 -0.621 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.600 -1.220 0.481 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.400 -1.535 -1.985 1.00 0.00 C ATOM 0 H LEU A 16 7.024 -5.385 0.350 1.00 0.00 H new ATOM 0 HA LEU A 16 5.715 -3.234 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.714 -3.486 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.175 -4.200 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 16 3.961 -2.193 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.162 -0.226 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.352 -1.640 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.683 -1.149 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.965 -0.540 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.484 -1.468 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.006 -2.177 -2.773 1.00 0.00 H new ATOM 260 N HIS A 17 3.669 -5.543 0.478 1.00 0.00 N ATOM 261 CA HIS A 17 2.289 -6.061 0.622 1.00 0.00 C ATOM 262 C HIS A 17 2.096 -6.582 2.047 1.00 0.00 C ATOM 263 O HIS A 17 0.990 -6.733 2.522 1.00 0.00 O ATOM 264 CB HIS A 17 2.087 -7.183 -0.393 1.00 0.00 C ATOM 265 CG HIS A 17 2.392 -6.647 -1.766 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.712 -5.562 -2.298 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.311 -7.017 -2.717 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.227 -5.318 -3.516 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.203 -6.176 -3.822 1.00 0.00 N ATOM 0 H HIS A 17 4.264 -6.073 -0.159 1.00 0.00 H new ATOM 0 HA HIS A 17 1.558 -5.273 0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.740 -8.025 -0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.063 -7.553 -0.350 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.958 -5.043 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.010 -7.835 -2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.892 -4.524 -4.167 1.00 0.00 H new ATOM 277 N GLN A 18 3.168 -6.846 2.739 1.00 0.00 N ATOM 278 CA GLN A 18 3.045 -7.337 4.129 1.00 0.00 C ATOM 279 C GLN A 18 2.595 -6.182 5.024 1.00 0.00 C ATOM 280 O GLN A 18 1.587 -6.261 5.702 1.00 0.00 O ATOM 281 CB GLN A 18 4.398 -7.862 4.611 1.00 0.00 C ATOM 282 CG GLN A 18 4.459 -9.378 4.410 1.00 0.00 C ATOM 283 CD GLN A 18 3.403 -10.053 5.288 1.00 0.00 C ATOM 284 OE1 GLN A 18 2.342 -10.411 4.816 1.00 0.00 O ATOM 285 NE2 GLN A 18 3.650 -10.243 6.556 1.00 0.00 N ATOM 0 H GLN A 18 4.123 -6.741 2.397 1.00 0.00 H new ATOM 0 HA GLN A 18 2.314 -8.144 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.205 -7.379 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.540 -7.618 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.287 -9.624 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.451 -9.750 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.540 -9.943 6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.953 -10.692 7.150 1.00 0.00 H new ATOM 294 N THR A 19 3.335 -5.104 5.032 1.00 0.00 N ATOM 295 CA THR A 19 2.951 -3.951 5.880 1.00 0.00 C ATOM 296 C THR A 19 1.582 -3.440 5.417 1.00 0.00 C ATOM 297 O THR A 19 0.743 -3.093 6.214 1.00 0.00 O ATOM 298 CB THR A 19 4.032 -2.850 5.781 1.00 0.00 C ATOM 299 OG1 THR A 19 4.602 -2.650 7.066 1.00 0.00 O ATOM 300 CG2 THR A 19 3.435 -1.520 5.305 1.00 0.00 C ATOM 0 H THR A 19 4.187 -4.978 4.486 1.00 0.00 H new ATOM 0 HA THR A 19 2.878 -4.249 6.926 1.00 0.00 H new ATOM 0 HB THR A 19 4.783 -3.174 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.290 -1.954 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.222 -0.768 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.987 -1.654 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.671 -1.191 6.009 1.00 0.00 H new ATOM 308 N LEU A 20 1.352 -3.396 4.133 1.00 0.00 N ATOM 309 CA LEU A 20 0.046 -2.919 3.625 1.00 0.00 C ATOM 310 C LEU A 20 -1.051 -3.862 4.117 1.00 0.00 C ATOM 311 O LEU A 20 -2.128 -3.456 4.484 1.00 0.00 O ATOM 312 CB LEU A 20 0.082 -2.933 2.101 1.00 0.00 C ATOM 313 CG LEU A 20 1.133 -1.937 1.607 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.351 -2.126 0.107 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.655 -0.508 1.884 1.00 0.00 C ATOM 0 H LEU A 20 2.020 -3.673 3.414 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.154 -1.909 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.317 -3.935 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.898 -2.673 1.701 1.00 0.00 H new ATOM 0 HG LEU A 20 2.072 -2.110 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.100 -1.416 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.696 -3.142 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.413 -1.955 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.404 0.201 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.285 -0.331 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.506 -0.376 2.956 1.00 0.00 H new ATOM 327 N LYS A 21 -0.769 -5.124 4.122 1.00 0.00 N ATOM 328 CA LYS A 21 -1.764 -6.128 4.586 1.00 0.00 C ATOM 329 C LYS A 21 -2.070 -5.889 6.064 1.00 0.00 C ATOM 330 O LYS A 21 -3.197 -5.986 6.495 1.00 0.00 O ATOM 331 CB LYS A 21 -1.190 -7.533 4.402 1.00 0.00 C ATOM 332 CG LYS A 21 -2.310 -8.566 4.540 1.00 0.00 C ATOM 333 CD LYS A 21 -1.755 -9.840 5.180 1.00 0.00 C ATOM 334 CE LYS A 21 -2.090 -9.850 6.672 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.742 -11.142 7.027 1.00 0.00 N ATOM 0 H LYS A 21 0.123 -5.515 3.820 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.681 -6.033 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.720 -7.620 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.415 -7.720 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.118 -8.162 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.732 -8.793 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.181 -10.718 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.675 -9.890 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.182 -9.715 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.752 -9.018 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.970 -11.149 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.617 -11.253 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.095 -11.928 6.812 1.00 0.00 H new ATOM 349 N LYS A 22 -1.077 -5.569 6.846 1.00 0.00 N ATOM 350 CA LYS A 22 -1.327 -5.312 8.285 1.00 0.00 C ATOM 351 C LYS A 22 -2.187 -4.057 8.402 1.00 0.00 C ATOM 352 O LYS A 22 -3.278 -4.074 8.936 1.00 0.00 O ATOM 353 CB LYS A 22 0.002 -5.078 9.000 1.00 0.00 C ATOM 354 CG LYS A 22 0.485 -6.387 9.628 1.00 0.00 C ATOM 355 CD LYS A 22 1.240 -6.082 10.923 1.00 0.00 C ATOM 356 CE LYS A 22 2.710 -5.805 10.604 1.00 0.00 C ATOM 357 NZ LYS A 22 2.899 -4.348 10.355 1.00 0.00 N ATOM 0 H LYS A 22 -0.106 -5.475 6.548 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.832 -6.165 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.745 -4.705 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.117 -4.316 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.364 -7.039 9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.134 -6.919 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.796 -5.220 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.159 -6.924 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.340 -6.128 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.017 -6.377 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.343 -4.210 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.975 -3.870 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.511 -3.946 11.094 1.00 0.00 H new ATOM 371 N GLU A 23 -1.694 -2.974 7.878 1.00 0.00 N ATOM 372 CA GLU A 23 -2.440 -1.700 7.907 1.00 0.00 C ATOM 373 C GLU A 23 -3.834 -1.941 7.332 1.00 0.00 C ATOM 374 O GLU A 23 -4.822 -1.994 8.037 1.00 0.00 O ATOM 375 CB GLU A 23 -1.691 -0.697 7.027 1.00 0.00 C ATOM 376 CG GLU A 23 -0.280 -0.474 7.580 1.00 0.00 C ATOM 377 CD GLU A 23 0.630 0.035 6.460 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.184 0.057 5.324 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.758 0.392 6.755 1.00 0.00 O ATOM 0 H GLU A 23 -0.783 -2.922 7.421 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.526 -1.318 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.636 -1.067 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.233 0.248 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.307 0.247 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.114 -1.405 7.989 1.00 0.00 H new ATOM 386 N LEU A 24 -3.897 -2.107 6.045 1.00 0.00 N ATOM 387 CA LEU A 24 -5.186 -2.371 5.360 1.00 0.00 C ATOM 388 C LEU A 24 -5.877 -3.565 6.020 1.00 0.00 C ATOM 389 O LEU A 24 -7.066 -3.767 5.875 1.00 0.00 O ATOM 390 CB LEU A 24 -4.886 -2.700 3.896 1.00 0.00 C ATOM 391 CG LEU A 24 -4.292 -1.469 3.210 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.085 -1.888 2.370 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.346 -0.830 2.305 1.00 0.00 C ATOM 0 H LEU A 24 -3.088 -2.070 5.424 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.839 -1.501 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.189 -3.536 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.799 -3.009 3.387 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.978 -0.748 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.661 -1.012 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.333 -2.343 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.400 -2.609 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.922 0.047 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.661 -1.550 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.207 -0.532 2.903 1.00 0.00 H new ATOM 405 N ALA A 25 -5.137 -4.358 6.747 1.00 0.00 N ATOM 406 CA ALA A 25 -5.738 -5.538 7.418 1.00 0.00 C ATOM 407 C ALA A 25 -6.424 -6.433 6.384 1.00 0.00 C ATOM 408 O ALA A 25 -7.587 -6.757 6.504 1.00 0.00 O ATOM 409 CB ALA A 25 -6.753 -5.048 8.441 1.00 0.00 C ATOM 0 H ALA A 25 -4.137 -4.235 6.904 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.962 -6.119 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.205 -5.903 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.253 -4.417 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.529 -4.472 7.937 1.00 0.00 H new ATOM 415 N LEU A 26 -5.704 -6.843 5.373 1.00 0.00 N ATOM 416 CA LEU A 26 -6.304 -7.725 4.332 1.00 0.00 C ATOM 417 C LEU A 26 -6.340 -9.165 4.859 1.00 0.00 C ATOM 418 O LEU A 26 -5.694 -9.475 5.840 1.00 0.00 O ATOM 419 CB LEU A 26 -5.447 -7.659 3.064 1.00 0.00 C ATOM 420 CG LEU A 26 -5.000 -6.218 2.813 1.00 0.00 C ATOM 421 CD1 LEU A 26 -4.015 -6.189 1.651 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.218 -5.357 2.471 1.00 0.00 C ATOM 0 H LEU A 26 -4.724 -6.604 5.224 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.317 -7.397 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.576 -8.306 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.016 -8.026 2.210 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.519 -5.825 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.695 -5.163 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.147 -6.802 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.497 -6.582 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.899 -4.330 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.700 -5.748 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.923 -5.378 3.302 1.00 0.00 H new ATOM 434 N PRO A 27 -7.098 -10.004 4.196 1.00 0.00 N ATOM 435 CA PRO A 27 -7.232 -11.418 4.592 1.00 0.00 C ATOM 436 C PRO A 27 -5.866 -12.106 4.609 1.00 0.00 C ATOM 437 O PRO A 27 -4.848 -11.496 4.349 1.00 0.00 O ATOM 438 CB PRO A 27 -8.132 -12.042 3.519 1.00 0.00 C ATOM 439 CG PRO A 27 -8.613 -10.901 2.589 1.00 0.00 C ATOM 440 CD PRO A 27 -7.877 -9.619 3.006 1.00 0.00 C ATOM 0 HA PRO A 27 -7.647 -11.525 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.585 -12.794 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.983 -12.546 3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.402 -11.142 1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.692 -10.768 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.228 -9.258 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.578 -8.816 3.235 1.00 0.00 H new ATOM 448 N GLU A 28 -5.841 -13.376 4.906 1.00 0.00 N ATOM 449 CA GLU A 28 -4.547 -14.108 4.934 1.00 0.00 C ATOM 450 C GLU A 28 -4.147 -14.459 3.502 1.00 0.00 C ATOM 451 O GLU A 28 -3.007 -14.773 3.223 1.00 0.00 O ATOM 452 CB GLU A 28 -4.703 -15.393 5.748 1.00 0.00 C ATOM 453 CG GLU A 28 -4.926 -15.043 7.221 1.00 0.00 C ATOM 454 CD GLU A 28 -3.573 -14.906 7.923 1.00 0.00 C ATOM 455 OE1 GLU A 28 -2.819 -15.864 7.905 1.00 0.00 O ATOM 456 OE2 GLU A 28 -3.315 -13.844 8.466 1.00 0.00 O ATOM 0 H GLU A 28 -6.662 -13.938 5.130 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.780 -13.484 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.544 -15.975 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.813 -16.013 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.487 -14.112 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.522 -15.818 7.704 1.00 0.00 H new ATOM 463 N TYR A 29 -5.078 -14.403 2.590 1.00 0.00 N ATOM 464 CA TYR A 29 -4.751 -14.727 1.175 1.00 0.00 C ATOM 465 C TYR A 29 -4.445 -13.433 0.419 1.00 0.00 C ATOM 466 O TYR A 29 -4.412 -13.412 -0.795 1.00 0.00 O ATOM 467 CB TYR A 29 -5.932 -15.446 0.514 1.00 0.00 C ATOM 468 CG TYR A 29 -7.233 -14.844 0.988 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.864 -15.351 2.131 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.811 -13.782 0.283 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.072 -14.796 2.568 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.019 -13.227 0.720 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.650 -13.734 1.863 1.00 0.00 C ATOM 474 OH TYR A 29 -10.842 -13.187 2.293 1.00 0.00 O ATOM 0 H TYR A 29 -6.050 -14.147 2.764 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.880 -15.382 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.858 -15.364 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.904 -16.508 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.418 -16.170 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.325 -13.391 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.558 -15.187 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.465 -12.408 0.176 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.103 -12.459 1.692 1.00 0.00 H new ATOM 484 N TYR A 30 -4.220 -12.357 1.135 1.00 0.00 N ATOM 485 CA TYR A 30 -3.906 -11.051 0.472 1.00 0.00 C ATOM 486 C TYR A 30 -3.049 -11.303 -0.771 1.00 0.00 C ATOM 487 O TYR A 30 -1.855 -11.501 -0.686 1.00 0.00 O ATOM 488 CB TYR A 30 -3.134 -10.158 1.452 1.00 0.00 C ATOM 489 CG TYR A 30 -2.677 -8.896 0.752 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.443 -8.352 -0.285 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.485 -8.269 1.143 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.020 -7.183 -0.930 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.060 -7.098 0.497 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.830 -6.556 -0.539 1.00 0.00 C ATOM 495 OH TYR A 30 -1.415 -5.405 -1.177 1.00 0.00 O ATOM 0 H TYR A 30 -4.240 -12.327 2.154 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.833 -10.557 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.768 -9.903 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.273 -10.697 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.361 -8.834 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.893 -8.688 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.612 -6.764 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.142 -6.616 0.798 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.717 -4.970 -0.645 1.00 0.00 H new ATOM 505 N GLY A 31 -3.658 -11.313 -1.926 1.00 0.00 N ATOM 506 CA GLY A 31 -2.891 -11.567 -3.179 1.00 0.00 C ATOM 507 C GLY A 31 -1.599 -10.749 -3.177 1.00 0.00 C ATOM 508 O GLY A 31 -0.563 -11.217 -3.606 1.00 0.00 O ATOM 0 H GLY A 31 -4.657 -11.156 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.659 -12.629 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.497 -11.303 -4.046 1.00 0.00 H new ATOM 512 N GLU A 32 -1.658 -9.530 -2.709 1.00 0.00 N ATOM 513 CA GLU A 32 -0.439 -8.665 -2.683 1.00 0.00 C ATOM 514 C GLU A 32 -0.226 -8.026 -4.058 1.00 0.00 C ATOM 515 O GLU A 32 0.542 -7.099 -4.206 1.00 0.00 O ATOM 516 CB GLU A 32 0.792 -9.499 -2.313 1.00 0.00 C ATOM 517 CG GLU A 32 0.436 -10.470 -1.187 1.00 0.00 C ATOM 518 CD GLU A 32 1.678 -10.746 -0.338 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.698 -11.093 -0.911 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.589 -10.605 0.870 1.00 0.00 O ATOM 0 H GLU A 32 -2.503 -9.093 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.580 -7.883 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.145 -10.051 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.605 -8.845 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.355 -10.049 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.053 -11.402 -1.604 1.00 0.00 H new ATOM 527 N ASN A 33 -0.895 -8.510 -5.066 1.00 0.00 N ATOM 528 CA ASN A 33 -0.718 -7.917 -6.422 1.00 0.00 C ATOM 529 C ASN A 33 -1.575 -6.656 -6.553 1.00 0.00 C ATOM 530 O ASN A 33 -2.226 -6.233 -5.621 1.00 0.00 O ATOM 531 CB ASN A 33 -1.114 -8.930 -7.507 1.00 0.00 C ATOM 532 CG ASN A 33 -2.320 -9.763 -7.058 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.439 -9.478 -7.429 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.137 -10.797 -6.283 1.00 0.00 N ATOM 0 H ASN A 33 -1.554 -9.287 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 33 0.332 -7.656 -6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.353 -8.405 -8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.272 -9.587 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.934 -11.363 -5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.197 -11.039 -5.969 1.00 0.00 H new ATOM 541 N LEU A 34 -1.579 -6.057 -7.711 1.00 0.00 N ATOM 542 CA LEU A 34 -2.393 -4.825 -7.926 1.00 0.00 C ATOM 543 C LEU A 34 -3.871 -5.194 -7.915 1.00 0.00 C ATOM 544 O LEU A 34 -4.703 -4.511 -7.360 1.00 0.00 O ATOM 545 CB LEU A 34 -2.060 -4.256 -9.298 1.00 0.00 C ATOM 546 CG LEU A 34 -0.568 -3.945 -9.380 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.151 -3.812 -10.846 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.289 -2.633 -8.650 1.00 0.00 C ATOM 0 H LEU A 34 -1.050 -6.370 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.178 -4.099 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.335 -4.970 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.640 -3.351 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.000 -4.752 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.915 -3.590 -10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.355 -4.747 -11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.715 -3.005 -11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.776 -2.405 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.857 -1.829 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.586 -2.727 -7.606 1.00 0.00 H new ATOM 560 N ASP A 35 -4.184 -6.267 -8.560 1.00 0.00 N ATOM 561 CA ASP A 35 -5.590 -6.740 -8.653 1.00 0.00 C ATOM 562 C ASP A 35 -6.142 -7.080 -7.271 1.00 0.00 C ATOM 563 O ASP A 35 -7.301 -6.857 -6.982 1.00 0.00 O ATOM 564 CB ASP A 35 -5.599 -8.012 -9.483 1.00 0.00 C ATOM 565 CG ASP A 35 -5.268 -7.683 -10.940 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.531 -6.564 -11.349 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.758 -8.556 -11.623 1.00 0.00 O ATOM 0 H ASP A 35 -3.508 -6.858 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.202 -5.955 -9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.872 -8.721 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.577 -8.490 -9.422 1.00 0.00 H new ATOM 572 N ALA A 36 -5.329 -7.638 -6.424 1.00 0.00 N ATOM 573 CA ALA A 36 -5.820 -8.016 -5.069 1.00 0.00 C ATOM 574 C ALA A 36 -5.823 -6.789 -4.185 1.00 0.00 C ATOM 575 O ALA A 36 -6.840 -6.386 -3.660 1.00 0.00 O ATOM 576 CB ALA A 36 -4.902 -9.065 -4.451 1.00 0.00 C ATOM 0 H ALA A 36 -4.348 -7.849 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.827 -8.424 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.271 -9.333 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.885 -9.952 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.893 -8.661 -4.365 1.00 0.00 H new ATOM 582 N LEU A 37 -4.686 -6.186 -4.029 1.00 0.00 N ATOM 583 CA LEU A 37 -4.602 -4.965 -3.191 1.00 0.00 C ATOM 584 C LEU A 37 -5.772 -4.065 -3.563 1.00 0.00 C ATOM 585 O LEU A 37 -6.540 -3.608 -2.731 1.00 0.00 O ATOM 586 CB LEU A 37 -3.292 -4.238 -3.493 1.00 0.00 C ATOM 587 CG LEU A 37 -3.369 -2.814 -2.936 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.368 -2.862 -1.407 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.166 -2.000 -3.421 1.00 0.00 C ATOM 0 H LEU A 37 -3.806 -6.487 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.636 -5.221 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.454 -4.772 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.116 -4.212 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.287 -2.342 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.423 -1.848 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.229 -3.434 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.452 -3.338 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.227 -0.988 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.245 -2.471 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.169 -1.961 -4.510 1.00 0.00 H new ATOM 601 N TRP A 38 -5.903 -3.818 -4.828 1.00 0.00 N ATOM 602 CA TRP A 38 -7.001 -2.971 -5.313 1.00 0.00 C ATOM 603 C TRP A 38 -8.312 -3.585 -4.893 1.00 0.00 C ATOM 604 O TRP A 38 -9.138 -2.962 -4.258 1.00 0.00 O ATOM 605 CB TRP A 38 -6.985 -2.920 -6.832 1.00 0.00 C ATOM 606 CG TRP A 38 -8.132 -2.085 -7.255 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.369 -2.542 -7.507 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.174 -0.655 -7.428 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.178 -1.469 -7.849 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.476 -0.278 -7.812 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.204 0.336 -7.293 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.801 1.058 -8.053 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.513 1.668 -7.525 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.812 2.040 -7.907 1.00 0.00 C ATOM 0 H TRP A 38 -5.283 -4.176 -5.554 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.883 -1.969 -4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.048 -2.497 -7.193 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.064 -3.923 -7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.682 -3.574 -7.452 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.164 -1.548 -8.096 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.200 0.064 -7.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.803 1.332 -8.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.750 2.424 -7.411 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.048 3.078 -8.087 1.00 0.00 H new ATOM 625 N ASP A 39 -8.500 -4.814 -5.254 1.00 0.00 N ATOM 626 CA ASP A 39 -9.755 -5.508 -4.890 1.00 0.00 C ATOM 627 C ASP A 39 -10.051 -5.203 -3.428 1.00 0.00 C ATOM 628 O ASP A 39 -11.187 -5.195 -2.995 1.00 0.00 O ATOM 629 CB ASP A 39 -9.590 -7.013 -5.089 1.00 0.00 C ATOM 630 CG ASP A 39 -10.449 -7.476 -6.268 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.130 -6.643 -6.845 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.413 -8.656 -6.574 1.00 0.00 O ATOM 0 H ASP A 39 -7.835 -5.372 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.577 -5.167 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.543 -7.252 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.883 -7.543 -4.183 1.00 0.00 H new ATOM 637 N CYS A 40 -9.027 -4.924 -2.667 1.00 0.00 N ATOM 638 CA CYS A 40 -9.232 -4.588 -1.242 1.00 0.00 C ATOM 639 C CYS A 40 -9.748 -3.150 -1.145 1.00 0.00 C ATOM 640 O CYS A 40 -10.800 -2.896 -0.596 1.00 0.00 O ATOM 641 CB CYS A 40 -7.902 -4.708 -0.500 1.00 0.00 C ATOM 642 SG CYS A 40 -7.107 -6.274 -0.934 1.00 0.00 S ATOM 0 H CYS A 40 -8.056 -4.916 -2.979 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.956 -5.270 -0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.251 -3.873 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.068 -4.658 0.576 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.144 -6.437 -2.223 1.00 0.00 H new ATOM 648 N LEU A 41 -9.020 -2.200 -1.678 1.00 0.00 N ATOM 649 CA LEU A 41 -9.478 -0.792 -1.605 1.00 0.00 C ATOM 650 C LEU A 41 -10.840 -0.633 -2.289 1.00 0.00 C ATOM 651 O LEU A 41 -11.484 0.390 -2.167 1.00 0.00 O ATOM 652 CB LEU A 41 -8.462 0.100 -2.310 1.00 0.00 C ATOM 653 CG LEU A 41 -7.049 -0.254 -1.847 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.065 0.707 -2.496 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.957 -0.129 -0.325 1.00 0.00 C ATOM 0 H LEU A 41 -8.132 -2.345 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.573 -0.507 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.542 -0.025 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.673 1.147 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.813 -1.279 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.053 0.464 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.131 0.618 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.305 1.728 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.948 -0.382 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.187 0.895 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.670 -0.810 0.140 1.00 0.00 H new ATOM 667 N THR A 42 -11.280 -1.620 -3.020 1.00 0.00 N ATOM 668 CA THR A 42 -12.582 -1.498 -3.714 1.00 0.00 C ATOM 669 C THR A 42 -13.536 -2.611 -3.272 1.00 0.00 C ATOM 670 O THR A 42 -14.326 -3.105 -4.051 1.00 0.00 O ATOM 671 CB THR A 42 -12.357 -1.583 -5.223 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.902 -2.886 -5.561 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.309 -0.549 -5.631 1.00 0.00 C ATOM 0 H THR A 42 -10.791 -2.503 -3.164 1.00 0.00 H new ATOM 0 HA THR A 42 -13.030 -0.538 -3.459 1.00 0.00 H new ATOM 0 HB THR A 42 -13.291 -1.382 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.137 -2.818 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.143 -0.604 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.661 0.449 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.374 -0.753 -5.109 1.00 0.00 H new ATOM 681 N GLY A 43 -13.480 -3.008 -2.029 1.00 0.00 N ATOM 682 CA GLY A 43 -14.400 -4.085 -1.558 1.00 0.00 C ATOM 683 C GLY A 43 -13.789 -4.801 -0.354 1.00 0.00 C ATOM 684 O GLY A 43 -13.740 -6.014 -0.301 1.00 0.00 O ATOM 0 H GLY A 43 -12.843 -2.637 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.365 -3.658 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.582 -4.798 -2.362 1.00 0.00 H new ATOM 688 N TRP A 44 -13.319 -4.060 0.610 1.00 0.00 N ATOM 689 CA TRP A 44 -12.705 -4.694 1.807 1.00 0.00 C ATOM 690 C TRP A 44 -12.182 -3.596 2.733 1.00 0.00 C ATOM 691 O TRP A 44 -12.685 -3.381 3.817 1.00 0.00 O ATOM 692 CB TRP A 44 -11.540 -5.575 1.353 1.00 0.00 C ATOM 693 CG TRP A 44 -10.955 -6.287 2.526 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.962 -5.808 3.308 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.303 -7.595 3.059 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.676 -6.741 4.287 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.479 -7.860 4.177 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.246 -8.567 2.683 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.587 -9.049 4.899 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.358 -9.765 3.407 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.530 -10.006 4.513 1.00 0.00 C ATOM 0 H TRP A 44 -13.334 -3.040 0.620 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.441 -5.300 2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.886 -6.297 0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.777 -4.964 0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.472 -4.853 3.188 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.960 -6.618 5.003 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.888 -8.392 1.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.947 -9.229 5.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.086 -10.505 3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.621 -10.929 5.066 1.00 0.00 H new ATOM 712 N VAL A 45 -11.171 -2.905 2.298 1.00 0.00 N ATOM 713 CA VAL A 45 -10.582 -1.812 3.112 1.00 0.00 C ATOM 714 C VAL A 45 -11.680 -0.906 3.666 1.00 0.00 C ATOM 715 O VAL A 45 -12.761 -0.812 3.120 1.00 0.00 O ATOM 716 CB VAL A 45 -9.665 -0.982 2.218 1.00 0.00 C ATOM 717 CG1 VAL A 45 -9.225 0.281 2.961 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.442 -1.816 1.839 1.00 0.00 C ATOM 0 H VAL A 45 -10.720 -3.054 1.396 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.027 -2.244 3.944 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.200 -0.692 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.570 0.871 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.102 0.872 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.689 0.001 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.784 -1.227 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.906 -2.107 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.763 -2.710 1.304 1.00 0.00 H new ATOM 728 N GLU A 46 -11.396 -0.218 4.736 1.00 0.00 N ATOM 729 CA GLU A 46 -12.403 0.709 5.318 1.00 0.00 C ATOM 730 C GLU A 46 -11.866 2.135 5.207 1.00 0.00 C ATOM 731 O GLU A 46 -10.736 2.413 5.555 1.00 0.00 O ATOM 732 CB GLU A 46 -12.644 0.366 6.788 1.00 0.00 C ATOM 733 CG GLU A 46 -11.319 -0.018 7.450 1.00 0.00 C ATOM 734 CD GLU A 46 -11.315 0.467 8.901 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.339 0.963 9.343 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.288 0.335 9.546 1.00 0.00 O ATOM 0 H GLU A 46 -10.506 -0.259 5.234 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.346 0.616 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.086 1.219 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.354 -0.457 6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.183 -1.099 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.486 0.425 6.905 1.00 0.00 H new ATOM 743 N TYR A 47 -12.661 3.038 4.713 1.00 0.00 N ATOM 744 CA TYR A 47 -12.192 4.443 4.567 1.00 0.00 C ATOM 745 C TYR A 47 -13.019 5.341 5.501 1.00 0.00 C ATOM 746 O TYR A 47 -14.004 4.887 6.048 1.00 0.00 O ATOM 747 CB TYR A 47 -12.367 4.859 3.102 1.00 0.00 C ATOM 748 CG TYR A 47 -11.316 4.165 2.263 1.00 0.00 C ATOM 749 CD1 TYR A 47 -10.053 4.745 2.111 1.00 0.00 C ATOM 750 CD2 TYR A 47 -11.599 2.940 1.644 1.00 0.00 C ATOM 751 CE1 TYR A 47 -9.075 4.105 1.339 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.619 2.302 0.872 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.357 2.885 0.719 1.00 0.00 C ATOM 754 OH TYR A 47 -8.393 2.256 -0.041 1.00 0.00 O ATOM 0 H TYR A 47 -13.617 2.865 4.403 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.141 4.539 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.364 4.593 2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.273 5.941 3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.831 5.688 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.573 2.488 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.100 4.556 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.839 1.359 0.394 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.551 2.754 0.021 1.00 0.00 H new ATOM 764 N PRO A 48 -12.607 6.582 5.686 1.00 0.00 N ATOM 765 CA PRO A 48 -11.411 7.179 5.040 1.00 0.00 C ATOM 766 C PRO A 48 -10.133 6.411 5.384 1.00 0.00 C ATOM 767 O PRO A 48 -10.081 5.649 6.329 1.00 0.00 O ATOM 768 CB PRO A 48 -11.334 8.606 5.603 1.00 0.00 C ATOM 769 CG PRO A 48 -12.535 8.805 6.559 1.00 0.00 C ATOM 770 CD PRO A 48 -13.334 7.494 6.586 1.00 0.00 C ATOM 0 HA PRO A 48 -11.495 7.153 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.394 8.756 6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.364 9.337 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.188 9.062 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.163 9.628 6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.391 7.088 7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.358 7.649 6.246 1.00 0.00 H new ATOM 778 N LEU A 49 -9.103 6.607 4.606 1.00 0.00 N ATOM 779 CA LEU A 49 -7.817 5.894 4.856 1.00 0.00 C ATOM 780 C LEU A 49 -6.640 6.845 4.688 1.00 0.00 C ATOM 781 O LEU A 49 -6.650 7.746 3.869 1.00 0.00 O ATOM 782 CB LEU A 49 -7.645 4.774 3.836 1.00 0.00 C ATOM 783 CG LEU A 49 -6.184 4.282 3.820 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.815 3.672 5.173 1.00 0.00 C ATOM 785 CD2 LEU A 49 -6.016 3.230 2.724 1.00 0.00 C ATOM 0 H LEU A 49 -9.097 7.235 3.802 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.842 5.499 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.312 3.946 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.927 5.130 2.845 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.526 5.129 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.781 3.329 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.929 4.424 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.472 2.828 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.984 2.880 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.681 2.389 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.263 3.669 1.757 1.00 0.00 H new ATOM 797 N VAL A 50 -5.595 6.599 5.410 1.00 0.00 N ATOM 798 CA VAL A 50 -4.381 7.425 5.251 1.00 0.00 C ATOM 799 C VAL A 50 -3.282 6.482 4.762 1.00 0.00 C ATOM 800 O VAL A 50 -3.164 5.379 5.239 1.00 0.00 O ATOM 801 CB VAL A 50 -3.995 8.064 6.606 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.574 7.656 7.026 1.00 0.00 C ATOM 803 CG2 VAL A 50 -4.058 9.587 6.484 1.00 0.00 C ATOM 0 H VAL A 50 -5.529 5.857 6.107 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.537 8.239 4.543 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.697 7.712 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.330 8.120 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.521 6.572 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.862 7.987 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.786 10.040 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.363 9.919 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.070 9.889 6.214 1.00 0.00 H new ATOM 813 N LEU A 51 -2.469 6.892 3.844 1.00 0.00 N ATOM 814 CA LEU A 51 -1.378 5.990 3.402 1.00 0.00 C ATOM 815 C LEU A 51 -0.068 6.721 3.637 1.00 0.00 C ATOM 816 O LEU A 51 0.497 7.319 2.744 1.00 0.00 O ATOM 817 CB LEU A 51 -1.513 5.609 1.923 1.00 0.00 C ATOM 818 CG LEU A 51 -0.373 4.651 1.557 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.580 3.315 2.266 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.352 4.400 0.052 1.00 0.00 C ATOM 0 H LEU A 51 -2.508 7.801 3.383 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.421 5.060 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.478 5.135 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.473 6.501 1.298 1.00 0.00 H new ATOM 0 HG LEU A 51 0.570 5.103 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.231 2.635 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.588 3.473 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.531 2.882 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.463 3.718 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.300 3.958 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.204 5.344 -0.472 1.00 0.00 H new ATOM 832 N GLU A 52 0.408 6.689 4.846 1.00 0.00 N ATOM 833 CA GLU A 52 1.671 7.392 5.161 1.00 0.00 C ATOM 834 C GLU A 52 2.828 6.551 4.638 1.00 0.00 C ATOM 835 O GLU A 52 3.416 5.752 5.342 1.00 0.00 O ATOM 836 CB GLU A 52 1.780 7.577 6.674 1.00 0.00 C ATOM 837 CG GLU A 52 3.168 8.113 7.029 1.00 0.00 C ATOM 838 CD GLU A 52 3.025 9.428 7.797 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.362 10.318 7.290 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.581 9.524 8.879 1.00 0.00 O ATOM 0 H GLU A 52 -0.027 6.204 5.631 1.00 0.00 H new ATOM 0 HA GLU A 52 1.696 8.375 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.013 8.269 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.606 6.627 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.708 7.384 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.752 8.271 6.122 1.00 0.00 H new ATOM 847 N TRP A 53 3.139 6.728 3.387 1.00 0.00 N ATOM 848 CA TRP A 53 4.238 5.956 2.764 1.00 0.00 C ATOM 849 C TRP A 53 5.580 6.526 3.226 1.00 0.00 C ATOM 850 O TRP A 53 5.992 7.589 2.804 1.00 0.00 O ATOM 851 CB TRP A 53 4.119 6.076 1.246 1.00 0.00 C ATOM 852 CG TRP A 53 4.779 4.906 0.603 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.097 4.620 0.697 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.188 3.863 -0.227 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.356 3.472 -0.023 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.214 2.969 -0.611 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.877 3.605 -0.684 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.957 1.863 -1.414 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.617 2.485 -1.499 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.658 1.619 -1.862 1.00 0.00 C ATOM 0 H TRP A 53 2.670 7.385 2.764 1.00 0.00 H new ATOM 0 HA TRP A 53 4.176 4.908 3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.069 6.120 0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.584 7.002 0.906 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.827 5.196 1.246 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.279 3.047 -0.110 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.071 4.268 -0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.760 1.195 -1.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.612 2.293 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.455 0.763 -2.488 1.00 0.00 H new ATOM 871 N ARG A 54 6.263 5.832 4.094 1.00 0.00 N ATOM 872 CA ARG A 54 7.573 6.339 4.583 1.00 0.00 C ATOM 873 C ARG A 54 8.689 5.810 3.682 1.00 0.00 C ATOM 874 O ARG A 54 8.815 4.621 3.467 1.00 0.00 O ATOM 875 CB ARG A 54 7.803 5.859 6.017 1.00 0.00 C ATOM 876 CG ARG A 54 8.109 7.059 6.915 1.00 0.00 C ATOM 877 CD ARG A 54 8.800 6.579 8.191 1.00 0.00 C ATOM 878 NE ARG A 54 7.978 6.959 9.375 1.00 0.00 N ATOM 879 CZ ARG A 54 8.207 6.404 10.534 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.299 5.716 10.724 1.00 0.00 N ATOM 881 NH2 ARG A 54 7.343 6.538 11.502 1.00 0.00 N ATOM 0 H ARG A 54 5.970 4.937 4.485 1.00 0.00 H new ATOM 0 HA ARG A 54 7.573 7.429 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.920 5.334 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.630 5.150 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.748 7.768 6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.187 7.585 7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.934 5.498 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.793 7.021 8.268 1.00 0.00 H new ATOM 0 HE ARG A 54 7.236 7.653 9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.974 5.612 9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.478 5.282 11.630 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.489 7.076 11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.521 6.105 12.408 1.00 0.00 H new ATOM 895 N GLN A 55 9.501 6.682 3.154 1.00 0.00 N ATOM 896 CA GLN A 55 10.607 6.223 2.270 1.00 0.00 C ATOM 897 C GLN A 55 10.023 5.512 1.047 1.00 0.00 C ATOM 898 O GLN A 55 9.940 4.301 1.002 1.00 0.00 O ATOM 899 CB GLN A 55 11.504 5.256 3.046 1.00 0.00 C ATOM 900 CG GLN A 55 11.995 5.932 4.327 1.00 0.00 C ATOM 901 CD GLN A 55 13.523 6.007 4.310 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.192 4.994 4.279 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.107 7.174 4.329 1.00 0.00 N ATOM 0 H GLN A 55 9.447 7.691 3.296 1.00 0.00 H new ATOM 0 HA GLN A 55 11.193 7.081 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.953 4.348 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.353 4.958 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.572 6.933 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.657 5.372 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.545 8.025 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.125 7.235 4.318 1.00 0.00 H new ATOM 912 N PHE A 56 9.616 6.256 0.053 1.00 0.00 N ATOM 913 CA PHE A 56 9.038 5.620 -1.165 1.00 0.00 C ATOM 914 C PHE A 56 10.168 5.204 -2.110 1.00 0.00 C ATOM 915 O PHE A 56 10.462 4.035 -2.262 1.00 0.00 O ATOM 916 CB PHE A 56 8.118 6.616 -1.875 1.00 0.00 C ATOM 917 CG PHE A 56 7.435 5.931 -3.036 1.00 0.00 C ATOM 918 CD1 PHE A 56 8.154 5.654 -4.204 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.084 5.574 -2.943 1.00 0.00 C ATOM 920 CE1 PHE A 56 7.523 5.019 -5.281 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.453 4.940 -4.020 1.00 0.00 C ATOM 922 CZ PHE A 56 6.172 4.662 -5.189 1.00 0.00 C ATOM 0 H PHE A 56 9.659 7.275 0.032 1.00 0.00 H new ATOM 0 HA PHE A 56 8.464 4.739 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.374 7.001 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.694 7.470 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.196 5.930 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.529 5.788 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.078 4.805 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.411 4.665 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.685 4.172 -6.019 1.00 0.00 H new ATOM 932 N GLU A 57 10.806 6.151 -2.746 1.00 0.00 N ATOM 933 CA GLU A 57 11.917 5.803 -3.677 1.00 0.00 C ATOM 934 C GLU A 57 12.809 4.748 -3.024 1.00 0.00 C ATOM 935 O GLU A 57 13.255 3.815 -3.663 1.00 0.00 O ATOM 936 CB GLU A 57 12.746 7.052 -3.975 1.00 0.00 C ATOM 937 CG GLU A 57 11.826 8.176 -4.454 1.00 0.00 C ATOM 938 CD GLU A 57 12.043 9.418 -3.588 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.024 9.446 -2.863 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.225 10.320 -3.664 1.00 0.00 O ATOM 0 H GLU A 57 10.606 7.148 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 57 11.504 5.412 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.284 7.365 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.494 6.831 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.032 8.408 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.785 7.857 -4.397 1.00 0.00 H new ATOM 947 N GLN A 58 13.070 4.887 -1.754 1.00 0.00 N ATOM 948 CA GLN A 58 13.921 3.899 -1.055 1.00 0.00 C ATOM 949 C GLN A 58 13.240 2.533 -1.109 1.00 0.00 C ATOM 950 O GLN A 58 13.846 1.535 -1.444 1.00 0.00 O ATOM 951 CB GLN A 58 14.092 4.328 0.401 1.00 0.00 C ATOM 952 CG GLN A 58 14.773 5.697 0.455 1.00 0.00 C ATOM 953 CD GLN A 58 16.272 5.514 0.699 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.871 4.581 0.202 1.00 0.00 O ATOM 955 NE2 GLN A 58 16.908 6.372 1.449 1.00 0.00 N ATOM 0 H GLN A 58 12.725 5.650 -1.171 1.00 0.00 H new ATOM 0 HA GLN A 58 14.898 3.841 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.121 4.374 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.689 3.592 0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.609 6.233 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.336 6.301 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.405 7.155 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.908 6.259 1.618 1.00 0.00 H new ATOM 964 N SER A 59 11.975 2.486 -0.788 1.00 0.00 N ATOM 965 CA SER A 59 11.243 1.191 -0.828 1.00 0.00 C ATOM 966 C SER A 59 10.853 0.876 -2.275 1.00 0.00 C ATOM 967 O SER A 59 10.182 -0.098 -2.550 1.00 0.00 O ATOM 968 CB SER A 59 9.983 1.288 0.030 1.00 0.00 C ATOM 969 OG SER A 59 9.280 2.478 -0.300 1.00 0.00 O ATOM 0 H SER A 59 11.418 3.290 -0.500 1.00 0.00 H new ATOM 0 HA SER A 59 11.883 0.398 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.348 0.418 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.248 1.290 1.087 1.00 0.00 H new ATOM 0 HG SER A 59 9.286 3.085 0.469 1.00 0.00 H new ATOM 975 N LYS A 60 11.271 1.693 -3.203 1.00 0.00 N ATOM 976 CA LYS A 60 10.930 1.436 -4.628 1.00 0.00 C ATOM 977 C LYS A 60 12.138 0.805 -5.323 1.00 0.00 C ATOM 978 O LYS A 60 12.027 0.229 -6.387 1.00 0.00 O ATOM 979 CB LYS A 60 10.579 2.759 -5.314 1.00 0.00 C ATOM 980 CG LYS A 60 9.934 2.479 -6.673 1.00 0.00 C ATOM 981 CD LYS A 60 10.731 3.184 -7.772 1.00 0.00 C ATOM 982 CE LYS A 60 10.054 4.510 -8.125 1.00 0.00 C ATOM 983 NZ LYS A 60 10.347 4.855 -9.545 1.00 0.00 N ATOM 0 H LYS A 60 11.834 2.527 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 60 10.076 0.761 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.897 3.335 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.478 3.362 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.907 1.406 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.902 2.829 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.753 3.363 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.792 2.549 -8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.977 4.433 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.413 5.301 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.887 5.756 -9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.375 4.945 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.984 4.104 -10.167 1.00 0.00 H new ATOM 997 N GLN A 61 13.296 0.922 -4.731 1.00 0.00 N ATOM 998 CA GLN A 61 14.515 0.347 -5.351 1.00 0.00 C ATOM 999 C GLN A 61 14.659 -1.132 -4.977 1.00 0.00 C ATOM 1000 O GLN A 61 14.887 -1.974 -5.823 1.00 0.00 O ATOM 1001 CB GLN A 61 15.745 1.115 -4.862 1.00 0.00 C ATOM 1002 CG GLN A 61 15.737 2.527 -5.452 1.00 0.00 C ATOM 1003 CD GLN A 61 17.006 3.266 -5.025 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.957 3.348 -5.777 1.00 0.00 O ATOM 1005 NE2 GLN A 61 17.061 3.812 -3.842 1.00 0.00 N ATOM 0 H GLN A 61 13.447 1.395 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 61 14.431 0.431 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.746 1.165 -3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.654 0.592 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.681 2.478 -6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.855 3.070 -5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.263 3.743 -3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.902 4.308 -3.548 1.00 0.00 H new ATOM 1014 N LEU A 62 14.553 -1.449 -3.716 1.00 0.00 N ATOM 1015 CA LEU A 62 14.712 -2.880 -3.292 1.00 0.00 C ATOM 1016 C LEU A 62 13.939 -3.770 -4.262 1.00 0.00 C ATOM 1017 O LEU A 62 14.413 -4.803 -4.691 1.00 0.00 O ATOM 1018 CB LEU A 62 14.162 -3.137 -1.874 1.00 0.00 C ATOM 1019 CG LEU A 62 13.531 -1.881 -1.272 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.245 -1.547 -2.033 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.190 -2.149 0.196 1.00 0.00 C ATOM 0 H LEU A 62 14.365 -0.789 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 62 15.779 -3.104 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.420 -3.934 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.969 -3.483 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 62 14.228 -1.046 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.792 -0.652 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.479 -1.370 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.547 -2.381 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.739 -1.258 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.488 -2.980 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.100 -2.400 0.741 1.00 0.00 H new ATOM 1033 N THR A 63 12.747 -3.373 -4.606 1.00 0.00 N ATOM 1034 CA THR A 63 11.928 -4.186 -5.543 1.00 0.00 C ATOM 1035 C THR A 63 11.557 -3.320 -6.753 1.00 0.00 C ATOM 1036 O THR A 63 10.400 -3.134 -7.055 1.00 0.00 O ATOM 1037 CB THR A 63 10.663 -4.681 -4.817 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.598 -4.819 -5.746 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.261 -3.688 -3.716 1.00 0.00 C ATOM 0 H THR A 63 12.303 -2.516 -4.276 1.00 0.00 H new ATOM 0 HA THR A 63 12.491 -5.054 -5.886 1.00 0.00 H new ATOM 0 HB THR A 63 10.875 -5.649 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.544 -4.015 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.366 -4.049 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.073 -3.596 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.059 -2.714 -4.161 1.00 0.00 H new ATOM 1047 N GLU A 64 12.559 -2.805 -7.436 1.00 0.00 N ATOM 1048 CA GLU A 64 12.353 -1.940 -8.646 1.00 0.00 C ATOM 1049 C GLU A 64 10.904 -1.452 -8.759 1.00 0.00 C ATOM 1050 O GLU A 64 10.586 -0.341 -8.385 1.00 0.00 O ATOM 1051 CB GLU A 64 12.731 -2.744 -9.887 1.00 0.00 C ATOM 1052 CG GLU A 64 13.759 -1.962 -10.708 1.00 0.00 C ATOM 1053 CD GLU A 64 14.859 -2.911 -11.188 1.00 0.00 C ATOM 1054 OE1 GLU A 64 15.316 -3.709 -10.386 1.00 0.00 O ATOM 1055 OE2 GLU A 64 15.224 -2.824 -12.349 1.00 0.00 O ATOM 0 H GLU A 64 13.539 -2.954 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 64 12.984 -1.056 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.142 -3.711 -9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.844 -2.943 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.274 -1.489 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.191 -1.164 -10.104 1.00 0.00 H new ATOM 1062 N ASN A 65 10.023 -2.270 -9.268 1.00 0.00 N ATOM 1063 CA ASN A 65 8.602 -1.844 -9.396 1.00 0.00 C ATOM 1064 C ASN A 65 7.779 -2.476 -8.273 1.00 0.00 C ATOM 1065 O ASN A 65 6.817 -3.177 -8.515 1.00 0.00 O ATOM 1066 CB ASN A 65 8.052 -2.301 -10.749 1.00 0.00 C ATOM 1067 CG ASN A 65 8.013 -1.113 -11.713 1.00 0.00 C ATOM 1068 OD1 ASN A 65 8.179 0.020 -11.306 1.00 0.00 O ATOM 1069 ND2 ASN A 65 7.798 -1.326 -12.982 1.00 0.00 N ATOM 0 H ASN A 65 10.226 -3.213 -9.600 1.00 0.00 H new ATOM 0 HA ASN A 65 8.540 -0.758 -9.327 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.677 -3.094 -11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.051 -2.715 -10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.769 -0.541 -13.633 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.659 -2.277 -13.323 1.00 0.00 H new ATOM 1076 N GLY A 66 8.150 -2.237 -7.044 1.00 0.00 N ATOM 1077 CA GLY A 66 7.387 -2.828 -5.911 1.00 0.00 C ATOM 1078 C GLY A 66 6.359 -1.816 -5.408 1.00 0.00 C ATOM 1079 O GLY A 66 5.173 -2.078 -5.376 1.00 0.00 O ATOM 0 H GLY A 66 8.947 -1.659 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.887 -3.742 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.067 -3.103 -5.105 1.00 0.00 H new ATOM 1083 N ALA A 67 6.809 -0.663 -5.005 1.00 0.00 N ATOM 1084 CA ALA A 67 5.879 0.369 -4.490 1.00 0.00 C ATOM 1085 C ALA A 67 5.085 0.995 -5.636 1.00 0.00 C ATOM 1086 O ALA A 67 3.893 1.166 -5.549 1.00 0.00 O ATOM 1087 CB ALA A 67 6.686 1.454 -3.781 1.00 0.00 C ATOM 0 H ALA A 67 7.792 -0.392 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 67 5.180 -0.096 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.010 2.219 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.241 1.012 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.384 1.907 -4.485 1.00 0.00 H new ATOM 1093 N GLU A 68 5.742 1.353 -6.697 1.00 0.00 N ATOM 1094 CA GLU A 68 5.041 1.990 -7.844 1.00 0.00 C ATOM 1095 C GLU A 68 3.693 1.307 -8.101 1.00 0.00 C ATOM 1096 O GLU A 68 2.776 1.905 -8.629 1.00 0.00 O ATOM 1097 CB GLU A 68 5.920 1.854 -9.085 1.00 0.00 C ATOM 1098 CG GLU A 68 6.300 3.245 -9.579 1.00 0.00 C ATOM 1099 CD GLU A 68 7.457 3.139 -10.573 1.00 0.00 C ATOM 1100 OE1 GLU A 68 8.337 2.327 -10.342 1.00 0.00 O ATOM 1101 OE2 GLU A 68 7.445 3.873 -11.547 1.00 0.00 O ATOM 0 H GLU A 68 6.747 1.231 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 68 4.858 3.040 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.816 1.280 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.388 1.310 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.442 3.720 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.587 3.875 -8.737 1.00 0.00 H new ATOM 1108 N SER A 69 3.572 0.058 -7.755 1.00 0.00 N ATOM 1109 CA SER A 69 2.292 -0.671 -8.004 1.00 0.00 C ATOM 1110 C SER A 69 1.252 -0.353 -6.919 1.00 0.00 C ATOM 1111 O SER A 69 0.198 0.200 -7.190 1.00 0.00 O ATOM 1112 CB SER A 69 2.571 -2.174 -8.006 1.00 0.00 C ATOM 1113 OG SER A 69 2.556 -2.652 -9.345 1.00 0.00 O ATOM 0 H SER A 69 4.304 -0.494 -7.309 1.00 0.00 H new ATOM 0 HA SER A 69 1.892 -0.353 -8.967 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.538 -2.377 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.820 -2.696 -7.413 1.00 0.00 H new ATOM 0 HG SER A 69 2.736 -3.615 -9.351 1.00 0.00 H new ATOM 1119 N VAL A 70 1.530 -0.713 -5.695 1.00 0.00 N ATOM 1120 CA VAL A 70 0.552 -0.454 -4.601 1.00 0.00 C ATOM 1121 C VAL A 70 0.195 1.027 -4.576 1.00 0.00 C ATOM 1122 O VAL A 70 -0.879 1.411 -4.164 1.00 0.00 O ATOM 1123 CB VAL A 70 1.168 -0.853 -3.261 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.223 -0.444 -2.133 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.378 -2.369 -3.227 1.00 0.00 C ATOM 0 H VAL A 70 2.392 -1.175 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.350 -1.041 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 70 2.128 -0.352 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.657 -0.726 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.071 0.635 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.735 -0.948 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.817 -2.654 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.419 -2.872 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.047 -2.662 -4.036 1.00 0.00 H new ATOM 1135 N LEU A 71 1.087 1.858 -5.022 1.00 0.00 N ATOM 1136 CA LEU A 71 0.813 3.316 -5.038 1.00 0.00 C ATOM 1137 C LEU A 71 -0.155 3.623 -6.169 1.00 0.00 C ATOM 1138 O LEU A 71 -1.054 4.415 -6.025 1.00 0.00 O ATOM 1139 CB LEU A 71 2.107 4.068 -5.285 1.00 0.00 C ATOM 1140 CG LEU A 71 1.799 5.552 -5.475 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.373 6.160 -4.137 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.048 6.272 -5.989 1.00 0.00 C ATOM 0 H LEU A 71 2.003 1.587 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 71 0.386 3.620 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.787 3.931 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.608 3.673 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 71 0.992 5.665 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.153 7.219 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.483 5.648 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.179 6.046 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.828 7.331 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.856 6.159 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.351 5.840 -6.943 1.00 0.00 H new ATOM 1154 N GLN A 72 0.021 2.999 -7.297 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.905 3.252 -8.431 1.00 0.00 C ATOM 1156 C GLN A 72 -2.297 2.811 -8.004 1.00 0.00 C ATOM 1157 O GLN A 72 -3.295 3.367 -8.410 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.423 2.460 -9.667 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.476 1.442 -10.137 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.059 0.861 -11.488 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.738 -0.401 -11.570 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 -1.025 1.562 -12.479 1.00 0.00 N flip ATOM 0 H GLN A 72 0.765 2.326 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.927 4.309 -8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.199 3.153 -10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.504 1.940 -9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.578 0.643 -9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.450 1.924 -10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.276 2.549 -12.415 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.745 1.164 -13.376 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.357 1.803 -7.194 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.661 1.296 -6.728 1.00 0.00 C ATOM 1173 C VAL A 73 -4.187 2.181 -5.598 1.00 0.00 C ATOM 1174 O VAL A 73 -5.377 2.347 -5.435 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.469 -0.123 -6.222 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.735 -0.596 -5.509 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.141 -1.034 -7.410 1.00 0.00 C ATOM 0 H VAL A 73 -1.545 1.303 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.382 1.309 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.645 -0.157 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.591 -1.614 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.944 0.061 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.574 -0.573 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.001 -2.056 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.962 -1.007 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.227 -0.688 -7.892 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.317 2.743 -4.808 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.795 3.609 -3.691 1.00 0.00 C ATOM 1189 C PHE A 74 -4.283 4.948 -4.260 1.00 0.00 C ATOM 1190 O PHE A 74 -5.245 5.522 -3.789 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.659 3.845 -2.690 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.775 2.846 -1.563 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.843 2.929 -0.663 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.820 1.832 -1.422 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.956 1.999 0.377 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.932 0.903 -0.381 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.000 0.987 0.519 1.00 0.00 C ATOM 0 H PHE A 74 -2.305 2.643 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.618 3.115 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.694 3.741 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.709 4.861 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.580 3.711 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.996 1.767 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.782 2.063 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.194 0.122 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.087 0.271 1.323 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.640 5.437 -5.282 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.064 6.717 -5.897 1.00 0.00 C ATOM 1209 C ARG A 75 -5.266 6.446 -6.783 1.00 0.00 C ATOM 1210 O ARG A 75 -6.234 7.174 -6.781 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.930 7.263 -6.752 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.220 8.396 -6.012 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.830 9.735 -6.428 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.954 10.848 -5.966 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.106 12.046 -6.460 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.040 12.232 -7.751 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.326 13.057 -5.666 1.00 0.00 N ATOM 0 H ARG A 75 -2.830 4.997 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.318 7.441 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.221 6.468 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.322 7.627 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.317 8.259 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.154 8.383 -6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.943 9.774 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.827 9.841 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.235 10.673 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.870 11.441 -8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.159 13.168 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.379 12.912 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.445 13.993 -6.053 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.205 5.382 -7.529 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.337 5.012 -8.412 1.00 0.00 C ATOM 1233 C GLU A 76 -7.572 4.852 -7.535 1.00 0.00 C ATOM 1234 O GLU A 76 -8.637 5.345 -7.842 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.010 3.684 -9.080 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.292 3.917 -10.409 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.324 4.170 -11.510 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.925 5.231 -11.499 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.496 3.297 -12.346 1.00 0.00 O ATOM 0 H GLU A 76 -4.408 4.746 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.512 5.770 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.383 3.083 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.927 3.120 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.618 4.769 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.681 3.050 -10.661 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.421 4.180 -6.422 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.558 4.007 -5.498 1.00 0.00 C ATOM 1248 C ALA A 77 -8.908 5.389 -4.978 1.00 0.00 C ATOM 1249 O ALA A 77 -10.061 5.748 -4.843 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.166 3.087 -4.337 1.00 0.00 C ATOM 0 H ALA A 77 -6.549 3.745 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.408 3.550 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.015 2.969 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.874 2.112 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.329 3.525 -3.792 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.906 6.195 -4.736 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.176 7.580 -4.285 1.00 0.00 C ATOM 1258 C LYS A 78 -9.060 8.220 -5.343 1.00 0.00 C ATOM 1259 O LYS A 78 -9.859 9.097 -5.082 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.862 8.346 -4.230 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.902 9.376 -3.099 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.893 10.786 -3.693 1.00 0.00 C ATOM 1263 CE LYS A 78 -5.952 11.678 -2.882 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.488 12.812 -3.730 1.00 0.00 N ATOM 0 H LYS A 78 -6.921 5.950 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.649 7.591 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.035 7.654 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.683 8.846 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.796 9.231 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.044 9.242 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.571 10.751 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.901 11.201 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.465 12.057 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.098 11.099 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.848 13.419 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.983 12.441 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.308 13.369 -4.044 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.893 7.765 -6.550 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.669 8.289 -7.686 1.00 0.00 C ATOM 1280 C ALA A 79 -11.075 7.692 -7.656 1.00 0.00 C ATOM 1281 O ALA A 79 -12.048 8.333 -8.000 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.951 7.870 -8.965 1.00 0.00 C ATOM 0 H ALA A 79 -8.230 7.030 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.751 9.375 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.500 8.243 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.943 8.285 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.896 6.782 -9.012 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.177 6.461 -7.245 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.494 5.787 -7.180 1.00 0.00 C ATOM 1290 C GLU A 80 -13.404 6.518 -6.192 1.00 0.00 C ATOM 1291 O GLU A 80 -14.597 6.631 -6.394 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.280 4.349 -6.708 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.914 3.475 -7.905 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.893 2.302 -7.999 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.262 1.780 -6.960 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.257 1.947 -9.108 1.00 0.00 O ATOM 0 H GLU A 80 -10.388 5.887 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.963 5.795 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.487 4.313 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.185 3.972 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.946 4.064 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.894 3.104 -7.800 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.848 7.005 -5.121 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.669 7.721 -4.108 1.00 0.00 C ATOM 1305 C GLY A 81 -13.063 7.477 -2.728 1.00 0.00 C ATOM 1306 O GLY A 81 -13.069 8.339 -1.871 1.00 0.00 O ATOM 0 H GLY A 81 -11.854 6.938 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.693 8.789 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.699 7.366 -4.137 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.528 6.306 -2.513 1.00 0.00 N ATOM 1311 CA CYS A 82 -11.907 6.000 -1.201 1.00 0.00 C ATOM 1312 C CYS A 82 -10.883 7.084 -0.873 1.00 0.00 C ATOM 1313 O CYS A 82 -10.002 7.375 -1.658 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.210 4.644 -1.286 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.449 3.340 -1.486 1.00 0.00 S ATOM 0 H CYS A 82 -12.496 5.548 -3.195 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.668 5.970 -0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.515 4.632 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.623 4.468 -0.385 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.357 2.499 -0.499 1.00 0.00 H new ATOM 1321 N ASP A 83 -10.987 7.684 0.277 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.014 8.747 0.644 1.00 0.00 C ATOM 1323 C ASP A 83 -8.689 8.094 1.024 1.00 0.00 C ATOM 1324 O ASP A 83 -8.629 7.258 1.900 1.00 0.00 O ATOM 1325 CB ASP A 83 -10.551 9.548 1.833 1.00 0.00 C ATOM 1326 CG ASP A 83 -9.626 10.735 2.107 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -8.627 10.540 2.780 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -9.933 11.820 1.640 1.00 0.00 O ATOM 0 H ASP A 83 -11.701 7.485 0.977 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.866 9.419 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.560 9.901 1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.614 8.911 2.715 1.00 0.00 H new ATOM 1333 N ILE A 84 -7.624 8.457 0.373 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.315 7.840 0.715 1.00 0.00 C ATOM 1335 C ILE A 84 -5.255 8.930 0.827 1.00 0.00 C ATOM 1336 O ILE A 84 -4.867 9.538 -0.151 1.00 0.00 O ATOM 1337 CB ILE A 84 -5.883 6.823 -0.347 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -6.957 6.700 -1.439 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.646 5.471 0.326 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.045 5.707 -1.026 1.00 0.00 C ATOM 0 H ILE A 84 -7.601 9.149 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.423 7.318 1.666 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.960 7.159 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.403 7.677 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.497 6.374 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.338 4.741 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.864 5.571 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.567 5.135 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.793 5.638 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.599 4.726 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.519 6.049 -0.106 1.00 0.00 H new ATOM 1352 N THR A 85 -4.782 9.181 2.012 1.00 0.00 N ATOM 1353 CA THR A 85 -3.743 10.236 2.184 1.00 0.00 C ATOM 1354 C THR A 85 -2.403 9.717 1.661 1.00 0.00 C ATOM 1355 O THR A 85 -1.575 9.240 2.410 1.00 0.00 O ATOM 1356 CB THR A 85 -3.612 10.588 3.667 1.00 0.00 C ATOM 1357 OG1 THR A 85 -4.803 11.225 4.107 1.00 0.00 O ATOM 1358 CG2 THR A 85 -2.423 11.530 3.866 1.00 0.00 C ATOM 0 H THR A 85 -5.067 8.705 2.868 1.00 0.00 H new ATOM 0 HA THR A 85 -4.032 11.127 1.626 1.00 0.00 H new ATOM 0 HB THR A 85 -3.452 9.678 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.621 11.726 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.330 11.780 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.510 11.040 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.581 12.442 3.290 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.178 9.811 0.379 1.00 0.00 N ATOM 1367 CA ILE A 86 -0.886 9.321 -0.180 1.00 0.00 C ATOM 1368 C ILE A 86 0.244 10.221 0.319 1.00 0.00 C ATOM 1369 O ILE A 86 0.314 11.389 -0.008 1.00 0.00 O ATOM 1370 CB ILE A 86 -0.923 9.353 -1.711 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.247 8.761 -2.217 1.00 0.00 C ATOM 1372 CG2 ILE A 86 0.242 8.529 -2.263 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.236 7.240 -2.046 1.00 0.00 C ATOM 0 H ILE A 86 -2.828 10.203 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.720 8.294 0.146 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.840 10.386 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.083 9.192 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.392 9.017 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.218 8.550 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.184 8.950 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.155 7.499 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.178 6.826 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.411 6.816 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.112 6.993 -0.992 1.00 0.00 H new ATOM 1385 N ILE A 87 1.125 9.686 1.116 1.00 0.00 N ATOM 1386 CA ILE A 87 2.248 10.505 1.647 1.00 0.00 C ATOM 1387 C ILE A 87 3.571 9.789 1.358 1.00 0.00 C ATOM 1388 O ILE A 87 3.900 8.802 1.982 1.00 0.00 O ATOM 1389 CB ILE A 87 2.052 10.687 3.162 1.00 0.00 C ATOM 1390 CG1 ILE A 87 1.179 11.918 3.414 1.00 0.00 C ATOM 1391 CG2 ILE A 87 3.399 10.874 3.869 1.00 0.00 C ATOM 1392 CD1 ILE A 87 0.542 11.816 4.801 1.00 0.00 C ATOM 0 H ILE A 87 1.115 8.713 1.423 1.00 0.00 H new ATOM 0 HA ILE A 87 2.268 11.484 1.169 1.00 0.00 H new ATOM 0 HB ILE A 87 1.570 9.793 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.781 12.824 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.404 11.990 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.234 11.001 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.024 9.997 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.899 11.758 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.080 12.693 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.073 10.918 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.325 11.765 5.558 1.00 0.00 H new ATOM 1404 N LEU A 88 4.332 10.281 0.418 1.00 0.00 N ATOM 1405 CA LEU A 88 5.631 9.627 0.097 1.00 0.00 C ATOM 1406 C LEU A 88 6.756 10.346 0.844 1.00 0.00 C ATOM 1407 O LEU A 88 7.568 11.031 0.252 1.00 0.00 O ATOM 1408 CB LEU A 88 5.890 9.702 -1.410 1.00 0.00 C ATOM 1409 CG LEU A 88 4.761 9.004 -2.184 1.00 0.00 C ATOM 1410 CD1 LEU A 88 4.224 7.804 -1.398 1.00 0.00 C ATOM 1411 CD2 LEU A 88 3.623 9.996 -2.426 1.00 0.00 C ATOM 0 H LEU A 88 4.110 11.106 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 88 5.596 8.581 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.962 10.744 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.845 9.232 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 88 5.160 8.650 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.426 7.325 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.029 7.089 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.834 8.143 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.821 9.503 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.242 10.353 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.994 10.841 -3.007 1.00 0.00 H new ATOM 1423 N SER A 89 6.811 10.200 2.139 1.00 0.00 N ATOM 1424 CA SER A 89 7.883 10.879 2.921 1.00 0.00 C ATOM 1425 C SER A 89 8.216 10.047 4.161 1.00 0.00 C ATOM 1426 O SER A 89 9.384 9.978 4.507 1.00 0.00 O ATOM 1427 CB SER A 89 7.399 12.264 3.351 1.00 0.00 C ATOM 1428 OG SER A 89 7.834 13.229 2.401 1.00 0.00 O ATOM 1429 OXT SER A 89 7.298 9.496 4.744 1.00 0.00 O ATOM 0 H SER A 89 6.160 9.640 2.690 1.00 0.00 H new ATOM 0 HA SER A 89 8.775 10.981 2.303 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.312 12.275 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.789 12.508 4.339 1.00 0.00 H new ATOM 0 HG SER A 89 7.869 12.820 1.511 1.00 0.00 H new TER 1435 SER A 89