USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 43 GLN : amide:sc= -0.367 K(o=0.44,f=-3.6!) USER MOD Set 1.2: A 47 SER OG : rot -82:sc= 0.806 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 146:sc= -5.52! (180deg=-7.82!) USER MOD Set 2.2: A 49 MET CE :methyl -104:sc= -2.24! (180deg=-4.64!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0789 (180deg=-0.247) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc=3.06e-05 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0481 (180deg=-0.288) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= -0.264 (180deg=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.371 (180deg=-1.35!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0148) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.367 (180deg=-1.03) USER MOD Single : A 24 SER OG : rot 55:sc= 1.07 USER MOD Single : A 25 SER OG : rot 180:sc= -0.258 USER MOD Single : A 26 GLN : amide:sc= -0.0951 K(o=-0.095,f=-0.85) USER MOD Single : A 34 GLN : amide:sc= 0.377 K(o=0.38,f=-0.65) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.73) USER MOD Single : A 42 ASN : amide:sc= 0.131 K(o=0.13,f=-2.5) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 51 THR OG1 : rot 79:sc= 0.802 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.6 (180deg=0.251) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.456 K(o=0.46,f=-6.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -149:sc= 0 (180deg=-0.0138) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.428 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 48:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.558 -7.888 7.188 1.00 10.84 N ATOM 2 CA MET A 1 -24.751 -7.128 8.449 1.00 10.16 C ATOM 3 C MET A 1 -23.772 -7.605 9.526 1.00 9.27 C ATOM 4 O MET A 1 -22.923 -8.464 9.266 1.00 9.22 O ATOM 5 CB MET A 1 -26.211 -7.289 8.917 1.00 10.59 C ATOM 6 CG MET A 1 -26.604 -8.718 9.291 1.00 11.48 C ATOM 7 SD MET A 1 -26.779 -8.950 11.074 1.00 11.94 S ATOM 8 CE MET A 1 -27.952 -10.307 11.138 1.00 12.56 C ATOM 0 H1 MET A 1 -24.223 -7.245 6.443 1.00 10.84 H new ATOM 0 H2 MET A 1 -23.854 -8.639 7.339 1.00 10.84 H new ATOM 0 H3 MET A 1 -25.461 -8.314 6.898 1.00 10.84 H new ATOM 0 HA MET A 1 -24.549 -6.072 8.270 1.00 10.16 H new ATOM 0 HB2 MET A 1 -26.376 -6.643 9.779 1.00 10.59 H new ATOM 0 HB3 MET A 1 -26.873 -6.939 8.125 1.00 10.59 H new ATOM 0 HG2 MET A 1 -27.545 -8.971 8.802 1.00 11.48 H new ATOM 0 HG3 MET A 1 -25.851 -9.409 8.911 1.00 11.48 H new ATOM 0 HE1 MET A 1 -28.157 -10.562 12.178 1.00 12.56 H new ATOM 0 HE2 MET A 1 -28.879 -10.010 10.647 1.00 12.56 H new ATOM 0 HE3 MET A 1 -27.533 -11.174 10.628 1.00 12.56 H new ATOM 20 N ARG A 2 -23.891 -7.037 10.732 1.00 8.82 N ATOM 21 CA ARG A 2 -23.007 -7.365 11.864 1.00 8.17 C ATOM 22 C ARG A 2 -21.646 -6.682 11.699 1.00 7.58 C ATOM 23 O ARG A 2 -21.266 -5.823 12.495 1.00 7.72 O ATOM 24 CB ARG A 2 -22.852 -8.895 12.045 1.00 8.58 C ATOM 25 CG ARG A 2 -22.824 -9.352 13.502 1.00 9.29 C ATOM 26 CD ARG A 2 -21.403 -9.594 13.996 1.00 9.46 C ATOM 27 NE ARG A 2 -21.315 -9.541 15.459 1.00 9.75 N ATOM 28 CZ ARG A 2 -20.171 -9.651 16.144 1.00 10.18 C ATOM 29 NH1 ARG A 2 -19.021 -9.808 15.505 1.00 10.36 N ATOM 30 NH2 ARG A 2 -20.179 -9.602 17.464 1.00 10.67 N ATOM 0 H ARG A 2 -24.600 -6.338 10.953 1.00 8.82 H new ATOM 0 HA ARG A 2 -23.472 -6.983 12.773 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -23.675 -9.395 11.534 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -21.932 -9.216 11.557 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -23.302 -8.598 14.128 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -23.405 -10.268 13.606 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -21.058 -10.567 13.647 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -20.737 -8.847 13.565 1.00 9.46 H new ATOM 0 HE ARG A 2 -22.179 -9.412 15.986 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -19.005 -9.846 14.486 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -18.152 -9.891 16.032 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -21.059 -9.480 17.964 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -19.305 -9.686 17.983 1.00 10.67 H new ATOM 44 N SER A 3 -20.942 -7.062 10.646 1.00 7.20 N ATOM 45 CA SER A 3 -19.658 -6.461 10.283 1.00 6.89 C ATOM 46 C SER A 3 -19.815 -5.667 8.984 1.00 5.94 C ATOM 47 O SER A 3 -19.621 -6.206 7.892 1.00 6.02 O ATOM 48 CB SER A 3 -18.574 -7.544 10.113 1.00 7.63 C ATOM 49 OG SER A 3 -18.051 -7.964 11.368 1.00 8.43 O ATOM 0 H SER A 3 -21.243 -7.801 10.011 1.00 7.20 H new ATOM 0 HA SER A 3 -19.346 -5.791 11.084 1.00 6.89 H new ATOM 0 HB2 SER A 3 -18.995 -8.402 9.588 1.00 7.63 H new ATOM 0 HB3 SER A 3 -17.766 -7.156 9.493 1.00 7.63 H new ATOM 0 HG SER A 3 -17.368 -8.652 11.224 1.00 8.43 H new ATOM 55 N SER A 4 -20.220 -4.399 9.104 1.00 5.38 N ATOM 56 CA SER A 4 -20.408 -3.523 7.940 1.00 4.74 C ATOM 57 C SER A 4 -19.046 -3.143 7.347 1.00 4.08 C ATOM 58 O SER A 4 -18.312 -2.335 7.922 1.00 4.43 O ATOM 59 CB SER A 4 -21.202 -2.263 8.331 1.00 5.40 C ATOM 60 OG SER A 4 -22.199 -2.554 9.305 1.00 6.32 O ATOM 0 H SER A 4 -20.425 -3.954 9.998 1.00 5.38 H new ATOM 0 HA SER A 4 -20.981 -4.061 7.185 1.00 4.74 H new ATOM 0 HB2 SER A 4 -20.519 -1.509 8.722 1.00 5.40 H new ATOM 0 HB3 SER A 4 -21.672 -1.838 7.444 1.00 5.40 H new ATOM 0 HG SER A 4 -22.683 -1.733 9.533 1.00 6.32 H new ATOM 66 N ALA A 5 -18.693 -3.781 6.232 1.00 3.63 N ATOM 67 CA ALA A 5 -17.390 -3.587 5.594 1.00 3.45 C ATOM 68 C ALA A 5 -17.353 -2.346 4.698 1.00 2.57 C ATOM 69 O ALA A 5 -17.941 -2.332 3.614 1.00 2.77 O ATOM 70 CB ALA A 5 -17.014 -4.825 4.784 1.00 4.25 C ATOM 0 H ALA A 5 -19.298 -4.444 5.747 1.00 3.63 H new ATOM 0 HA ALA A 5 -16.663 -3.431 6.391 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -16.043 -4.671 4.313 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -16.964 -5.691 5.445 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -17.767 -4.999 4.015 1.00 4.25 H new ATOM 76 N LYS A 6 -16.636 -1.319 5.152 1.00 2.17 N ATOM 77 CA LYS A 6 -16.394 -0.113 4.363 1.00 1.92 C ATOM 78 C LYS A 6 -15.116 -0.330 3.554 1.00 1.64 C ATOM 79 O LYS A 6 -14.040 -0.473 4.137 1.00 2.32 O ATOM 80 CB LYS A 6 -16.227 1.118 5.276 1.00 2.86 C ATOM 81 CG LYS A 6 -17.458 1.457 6.117 1.00 3.45 C ATOM 82 CD LYS A 6 -17.452 0.749 7.471 1.00 4.36 C ATOM 83 CE LYS A 6 -16.446 1.354 8.449 1.00 5.20 C ATOM 84 NZ LYS A 6 -16.729 2.782 8.753 1.00 5.61 N ATOM 0 H LYS A 6 -16.207 -1.300 6.077 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.244 0.071 3.706 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -15.383 0.947 5.944 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -15.976 1.981 4.659 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -17.502 2.535 6.274 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -18.358 1.178 5.568 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -18.450 0.798 7.906 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -17.220 -0.306 7.324 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -16.456 0.780 9.376 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -15.443 1.267 8.032 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -16.204 3.066 9.604 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -16.433 3.373 7.950 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -17.748 2.907 8.917 1.00 5.61 H new ATOM 98 N GLN A 7 -15.227 -0.438 2.228 1.00 1.12 N ATOM 99 CA GLN A 7 -14.051 -0.727 1.395 1.00 0.87 C ATOM 100 C GLN A 7 -13.078 0.458 1.285 1.00 0.74 C ATOM 101 O GLN A 7 -11.923 0.275 0.890 1.00 0.75 O ATOM 102 CB GLN A 7 -14.446 -1.223 0.003 1.00 1.05 C ATOM 103 CG GLN A 7 -13.403 -2.175 -0.575 1.00 1.31 C ATOM 104 CD GLN A 7 -13.561 -3.609 -0.087 1.00 1.15 C ATOM 105 OE1 GLN A 7 -14.328 -3.882 0.839 1.00 1.76 O ATOM 106 NE2 GLN A 7 -12.802 -4.525 -0.673 1.00 1.09 N ATOM 0 H GLN A 7 -16.101 -0.332 1.713 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.522 -1.528 1.911 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.410 -1.729 0.057 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -14.570 -0.371 -0.665 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -13.470 -2.159 -1.663 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -12.408 -1.816 -0.312 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -12.180 -4.259 -1.436 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -12.840 -5.495 -0.360 1.00 1.09 H new ATOM 115 N GLU A 8 -13.503 1.650 1.706 1.00 0.74 N ATOM 116 CA GLU A 8 -12.612 2.820 1.742 1.00 0.76 C ATOM 117 C GLU A 8 -11.536 2.658 2.840 1.00 0.68 C ATOM 118 O GLU A 8 -10.699 3.540 3.044 1.00 0.98 O ATOM 119 CB GLU A 8 -13.423 4.105 1.983 1.00 0.92 C ATOM 120 CG GLU A 8 -14.651 3.920 2.879 1.00 1.50 C ATOM 121 CD GLU A 8 -15.902 3.553 2.105 1.00 1.93 C ATOM 122 OE1 GLU A 8 -16.512 4.452 1.498 1.00 2.24 O ATOM 123 OE2 GLU A 8 -16.268 2.362 2.096 1.00 2.61 O ATOM 0 H GLU A 8 -14.454 1.835 2.026 1.00 0.74 H new ATOM 0 HA GLU A 8 -12.112 2.894 0.777 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -12.770 4.853 2.432 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -13.747 4.501 1.021 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -14.444 3.141 3.613 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -14.831 4.841 3.433 1.00 1.50 H new ATOM 130 N GLU A 9 -11.598 1.526 3.553 1.00 0.41 N ATOM 131 CA GLU A 9 -10.629 1.186 4.604 1.00 0.38 C ATOM 132 C GLU A 9 -9.482 0.377 4.013 1.00 0.34 C ATOM 133 O GLU A 9 -8.337 0.522 4.435 1.00 0.43 O ATOM 134 CB GLU A 9 -11.300 0.403 5.745 1.00 0.42 C ATOM 135 CG GLU A 9 -12.070 1.288 6.720 1.00 0.62 C ATOM 136 CD GLU A 9 -12.550 0.540 7.950 1.00 1.46 C ATOM 137 OE1 GLU A 9 -12.415 -0.701 7.989 1.00 2.23 O ATOM 138 OE2 GLU A 9 -13.062 1.192 8.878 1.00 2.19 O ATOM 0 H GLU A 9 -12.321 0.820 3.418 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.236 2.114 5.019 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -11.982 -0.333 5.318 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -10.537 -0.150 6.293 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -11.433 2.116 7.031 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -12.929 1.722 6.208 1.00 0.62 H new ATOM 145 N LEU A 10 -9.797 -0.459 3.016 1.00 0.28 N ATOM 146 CA LEU A 10 -8.779 -1.211 2.278 1.00 0.29 C ATOM 147 C LEU A 10 -7.838 -0.230 1.578 1.00 0.26 C ATOM 148 O LEU A 10 -6.630 -0.446 1.516 1.00 0.30 O ATOM 149 CB LEU A 10 -9.442 -2.153 1.252 1.00 0.35 C ATOM 150 CG LEU A 10 -8.547 -2.632 0.093 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.316 -3.362 0.624 1.00 0.60 C ATOM 152 CD2 LEU A 10 -9.342 -3.525 -0.859 1.00 1.01 C ATOM 0 H LEU A 10 -10.752 -0.631 2.702 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.206 -1.823 2.975 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.815 -3.029 1.782 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -10.308 -1.644 0.829 1.00 0.35 H new ATOM 0 HG LEU A 10 -8.205 -1.758 -0.462 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.699 -3.691 -0.212 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.739 -2.689 1.258 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -7.630 -4.228 1.206 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.696 -3.855 -1.673 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.715 -4.394 -0.317 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -10.182 -2.964 -1.268 1.00 1.01 H new ATOM 164 N VAL A 11 -8.409 0.885 1.115 1.00 0.26 N ATOM 165 CA VAL A 11 -7.642 1.944 0.469 1.00 0.29 C ATOM 166 C VAL A 11 -6.864 2.765 1.502 1.00 0.29 C ATOM 167 O VAL A 11 -5.649 2.876 1.409 1.00 0.37 O ATOM 168 CB VAL A 11 -8.557 2.893 -0.350 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.735 3.921 -1.132 1.00 0.43 C ATOM 170 CG2 VAL A 11 -9.459 2.096 -1.287 1.00 0.49 C ATOM 0 H VAL A 11 -9.409 1.075 1.178 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.942 1.458 -0.211 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.187 3.438 0.353 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.405 4.570 -1.695 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.147 4.521 -0.437 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -7.067 3.404 -1.821 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -10.092 2.780 -1.852 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.846 1.516 -1.977 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -10.085 1.421 -0.703 1.00 0.49 H new ATOM 180 N LYS A 12 -7.568 3.311 2.508 1.00 0.26 N ATOM 181 CA LYS A 12 -6.935 4.128 3.552 1.00 0.30 C ATOM 182 C LYS A 12 -5.827 3.349 4.286 1.00 0.27 C ATOM 183 O LYS A 12 -4.776 3.913 4.608 1.00 0.32 O ATOM 184 CB LYS A 12 -8.018 4.695 4.492 1.00 0.38 C ATOM 185 CG LYS A 12 -7.571 4.943 5.919 1.00 1.15 C ATOM 186 CD LYS A 12 -7.600 3.648 6.713 1.00 2.01 C ATOM 187 CE LYS A 12 -8.592 3.689 7.879 1.00 2.92 C ATOM 188 NZ LYS A 12 -8.540 4.972 8.625 1.00 3.46 N ATOM 0 H LYS A 12 -8.576 3.200 2.618 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.429 4.977 3.093 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.383 5.633 4.075 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -8.861 4.004 4.507 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -6.563 5.359 5.925 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.222 5.680 6.388 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -7.862 2.825 6.048 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -6.602 3.441 7.098 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -9.602 3.534 7.498 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -8.379 2.866 8.562 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -8.760 4.800 9.627 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -7.587 5.382 8.545 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -9.236 5.634 8.226 1.00 3.46 H new ATOM 202 N ALA A 13 -6.012 2.032 4.432 1.00 0.25 N ATOM 203 CA ALA A 13 -4.988 1.161 5.017 1.00 0.26 C ATOM 204 C ALA A 13 -3.793 1.026 4.066 1.00 0.22 C ATOM 205 O ALA A 13 -2.654 1.206 4.476 1.00 0.22 O ATOM 206 CB ALA A 13 -5.564 -0.214 5.344 1.00 0.30 C ATOM 0 H ALA A 13 -6.864 1.546 4.152 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.646 1.617 5.946 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -4.785 -0.841 5.777 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.381 -0.106 6.058 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -5.938 -0.678 4.432 1.00 0.30 H new ATOM 212 N PHE A 14 -4.087 0.752 2.783 1.00 0.21 N ATOM 213 CA PHE A 14 -3.063 0.624 1.724 1.00 0.19 C ATOM 214 C PHE A 14 -2.098 1.817 1.733 1.00 0.17 C ATOM 215 O PHE A 14 -0.896 1.657 1.963 1.00 0.21 O ATOM 216 CB PHE A 14 -3.749 0.508 0.350 1.00 0.19 C ATOM 217 CG PHE A 14 -2.838 0.051 -0.763 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.672 -1.298 -1.033 1.00 1.16 C ATOM 219 CD2 PHE A 14 -2.159 0.974 -1.546 1.00 1.22 C ATOM 220 CE1 PHE A 14 -1.843 -1.716 -2.055 1.00 1.17 C ATOM 221 CE2 PHE A 14 -1.324 0.556 -2.566 1.00 1.21 C ATOM 222 CZ PHE A 14 -1.166 -0.790 -2.815 1.00 0.16 C ATOM 0 H PHE A 14 -5.040 0.613 2.448 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.481 -0.277 1.918 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.582 -0.190 0.431 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.170 1.478 0.084 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.197 -2.030 -0.438 1.00 1.16 H new ATOM 0 HD2 PHE A 14 -2.284 2.030 -1.357 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.726 -2.770 -2.258 1.00 1.17 H new ATOM 0 HE2 PHE A 14 -0.797 1.283 -3.166 1.00 1.21 H new ATOM 0 HZ PHE A 14 -0.510 -1.119 -3.608 1.00 0.16 H new ATOM 232 N LYS A 15 -2.659 3.019 1.566 1.00 0.17 N ATOM 233 CA LYS A 15 -1.889 4.276 1.593 1.00 0.17 C ATOM 234 C LYS A 15 -1.047 4.407 2.877 1.00 0.14 C ATOM 235 O LYS A 15 0.129 4.761 2.822 1.00 0.14 O ATOM 236 CB LYS A 15 -2.838 5.490 1.482 1.00 0.25 C ATOM 237 CG LYS A 15 -3.984 5.317 0.485 1.00 0.64 C ATOM 238 CD LYS A 15 -3.581 5.706 -0.934 1.00 0.58 C ATOM 239 CE LYS A 15 -4.442 6.838 -1.514 1.00 0.82 C ATOM 240 NZ LYS A 15 -4.743 7.912 -0.521 1.00 0.93 N ATOM 0 H LYS A 15 -3.658 3.153 1.408 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.211 4.255 0.740 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.259 5.696 2.466 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.254 6.365 1.196 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.317 4.279 0.494 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.831 5.926 0.800 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.535 6.014 -0.937 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.657 4.831 -1.580 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.928 7.276 -2.369 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.378 6.421 -1.884 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -4.868 8.818 -1.017 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -5.615 7.675 -0.007 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -3.955 7.992 0.153 1.00 0.93 H new ATOM 254 N ALA A 16 -1.666 4.110 4.026 1.00 0.15 N ATOM 255 CA ALA A 16 -0.994 4.187 5.336 1.00 0.16 C ATOM 256 C ALA A 16 0.202 3.226 5.428 1.00 0.15 C ATOM 257 O ALA A 16 1.301 3.634 5.813 1.00 0.18 O ATOM 258 CB ALA A 16 -1.992 3.903 6.454 1.00 0.20 C ATOM 0 H ALA A 16 -2.640 3.811 4.078 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.605 5.199 5.448 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.486 3.962 7.417 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.795 4.639 6.420 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.409 2.904 6.324 1.00 0.20 H new ATOM 264 N LEU A 17 -0.020 1.959 5.040 1.00 0.15 N ATOM 265 CA LEU A 17 1.028 0.920 5.046 1.00 0.17 C ATOM 266 C LEU A 17 2.278 1.374 4.288 1.00 0.15 C ATOM 267 O LEU A 17 3.404 1.212 4.766 1.00 0.19 O ATOM 268 CB LEU A 17 0.498 -0.378 4.405 1.00 0.21 C ATOM 269 CG LEU A 17 -0.571 -1.133 5.207 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.616 -2.598 4.794 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.338 -1.016 6.709 1.00 0.33 C ATOM 0 H LEU A 17 -0.927 1.625 4.714 1.00 0.15 H new ATOM 0 HA LEU A 17 1.298 0.740 6.087 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.086 -0.135 3.426 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.341 -1.049 4.238 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.533 -0.671 4.982 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.380 -3.116 5.374 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.855 -2.670 3.733 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.355 -3.058 4.979 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.116 -1.564 7.242 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.637 -1.434 6.960 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.369 0.034 7.001 1.00 0.33 H new ATOM 283 N LEU A 18 2.063 1.943 3.101 1.00 0.12 N ATOM 284 CA LEU A 18 3.152 2.453 2.264 1.00 0.12 C ATOM 285 C LEU A 18 3.882 3.618 2.934 1.00 0.13 C ATOM 286 O LEU A 18 5.100 3.601 3.080 1.00 0.15 O ATOM 287 CB LEU A 18 2.605 2.926 0.913 1.00 0.12 C ATOM 288 CG LEU A 18 2.004 1.838 0.031 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.436 2.468 -1.227 1.00 0.22 C ATOM 290 CD2 LEU A 18 3.049 0.779 -0.307 1.00 0.15 C ATOM 0 H LEU A 18 1.136 2.063 2.694 1.00 0.12 H new ATOM 0 HA LEU A 18 3.858 1.635 2.119 1.00 0.12 H new ATOM 0 HB2 LEU A 18 1.843 3.684 1.095 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.412 3.410 0.363 1.00 0.12 H new ATOM 0 HG LEU A 18 1.198 1.341 0.571 1.00 0.13 H new ATOM 0 HD11 LEU A 18 1.005 1.692 -1.860 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.662 3.187 -0.957 1.00 0.22 H new ATOM 0 HD13 LEU A 18 2.232 2.979 -1.769 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.599 0.012 -0.937 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.880 1.244 -0.838 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.416 0.324 0.613 1.00 0.15 H new ATOM 302 N LYS A 19 3.114 4.637 3.322 1.00 0.17 N ATOM 303 CA LYS A 19 3.654 5.862 3.922 1.00 0.21 C ATOM 304 C LYS A 19 4.427 5.606 5.231 1.00 0.24 C ATOM 305 O LYS A 19 5.256 6.426 5.632 1.00 0.32 O ATOM 306 CB LYS A 19 2.514 6.864 4.133 1.00 0.23 C ATOM 307 CG LYS A 19 1.881 7.317 2.814 1.00 0.25 C ATOM 308 CD LYS A 19 0.611 8.139 3.035 1.00 0.38 C ATOM 309 CE LYS A 19 0.851 9.635 2.856 1.00 0.80 C ATOM 310 NZ LYS A 19 1.705 10.193 3.936 1.00 1.39 N ATOM 0 H LYS A 19 2.098 4.638 3.230 1.00 0.17 H new ATOM 0 HA LYS A 19 4.386 6.278 3.230 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.749 6.411 4.763 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.894 7.734 4.668 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.602 7.910 2.252 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.645 6.443 2.207 1.00 0.25 H new ATOM 0 HD2 LYS A 19 -0.158 7.810 2.336 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.230 7.952 4.039 1.00 0.38 H new ATOM 0 HE2 LYS A 19 1.324 9.814 1.890 1.00 0.80 H new ATOM 0 HE3 LYS A 19 -0.106 10.157 2.844 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 1.816 11.218 3.796 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 1.258 10.016 4.858 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.639 9.737 3.910 1.00 1.39 H new ATOM 324 N GLU A 20 4.184 4.455 5.873 1.00 0.26 N ATOM 325 CA GLU A 20 4.913 4.067 7.092 1.00 0.30 C ATOM 326 C GLU A 20 6.349 3.591 6.767 1.00 0.27 C ATOM 327 O GLU A 20 7.212 3.578 7.647 1.00 0.30 O ATOM 328 CB GLU A 20 4.148 2.963 7.849 1.00 0.39 C ATOM 329 CG GLU A 20 2.966 3.479 8.666 1.00 0.48 C ATOM 330 CD GLU A 20 2.085 2.368 9.211 1.00 1.05 C ATOM 331 OE1 GLU A 20 2.603 1.262 9.465 1.00 1.75 O ATOM 332 OE2 GLU A 20 0.875 2.608 9.402 1.00 1.76 O ATOM 0 H GLU A 20 3.488 3.775 5.569 1.00 0.26 H new ATOM 0 HA GLU A 20 4.986 4.950 7.727 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.787 2.227 7.131 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.839 2.446 8.515 1.00 0.39 H new ATOM 0 HG2 GLU A 20 3.340 4.078 9.496 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.363 4.140 8.043 1.00 0.48 H new ATOM 339 N GLU A 21 6.583 3.199 5.499 1.00 0.24 N ATOM 340 CA GLU A 21 7.901 2.739 5.015 1.00 0.26 C ATOM 341 C GLU A 21 8.387 1.482 5.754 1.00 0.28 C ATOM 342 O GLU A 21 9.311 1.543 6.570 1.00 0.42 O ATOM 343 CB GLU A 21 8.951 3.865 5.112 1.00 0.28 C ATOM 344 CG GLU A 21 8.666 5.051 4.193 1.00 0.33 C ATOM 345 CD GLU A 21 9.632 6.201 4.397 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.854 5.967 4.356 1.00 1.17 O ATOM 347 OE2 GLU A 21 9.168 7.330 4.644 1.00 1.19 O ATOM 0 H GLU A 21 5.861 3.192 4.779 1.00 0.24 H new ATOM 0 HA GLU A 21 7.775 2.470 3.966 1.00 0.26 H new ATOM 0 HB2 GLU A 21 8.998 4.218 6.142 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.932 3.457 4.870 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.716 4.721 3.156 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.649 5.402 4.367 1.00 0.33 H new ATOM 354 N LYS A 22 7.763 0.340 5.450 1.00 0.24 N ATOM 355 CA LYS A 22 8.126 -0.938 6.078 1.00 0.27 C ATOM 356 C LYS A 22 8.093 -2.109 5.082 1.00 0.33 C ATOM 357 O LYS A 22 8.896 -3.036 5.185 1.00 0.74 O ATOM 358 CB LYS A 22 7.201 -1.223 7.272 1.00 0.37 C ATOM 359 CG LYS A 22 5.708 -1.219 6.946 1.00 0.95 C ATOM 360 CD LYS A 22 4.879 -0.546 8.038 1.00 1.24 C ATOM 361 CE LYS A 22 4.530 -1.508 9.172 1.00 1.69 C ATOM 362 NZ LYS A 22 5.732 -2.153 9.773 1.00 2.44 N ATOM 0 H LYS A 22 7.003 0.272 4.773 1.00 0.24 H new ATOM 0 HA LYS A 22 9.153 -0.847 6.430 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.463 -2.194 7.692 1.00 0.37 H new ATOM 0 HB3 LYS A 22 7.391 -0.479 8.046 1.00 0.37 H new ATOM 0 HG2 LYS A 22 5.546 -0.703 6.000 1.00 0.95 H new ATOM 0 HG3 LYS A 22 5.365 -2.245 6.812 1.00 0.95 H new ATOM 0 HD2 LYS A 22 5.432 0.303 8.441 1.00 1.24 H new ATOM 0 HD3 LYS A 22 3.961 -0.151 7.603 1.00 1.24 H new ATOM 0 HE2 LYS A 22 3.988 -0.967 9.947 1.00 1.69 H new ATOM 0 HE3 LYS A 22 3.860 -2.280 8.794 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 5.496 -2.514 10.719 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 6.041 -2.941 9.169 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 6.499 -1.455 9.850 1.00 2.44 H new ATOM 376 N PHE A 23 7.149 -2.071 4.138 1.00 0.25 N ATOM 377 CA PHE A 23 6.977 -3.146 3.147 1.00 0.25 C ATOM 378 C PHE A 23 7.847 -2.911 1.915 1.00 0.23 C ATOM 379 O PHE A 23 7.813 -1.839 1.322 1.00 0.30 O ATOM 380 CB PHE A 23 5.503 -3.234 2.742 1.00 0.36 C ATOM 381 CG PHE A 23 4.592 -3.308 3.937 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.487 -4.482 4.672 1.00 1.22 C ATOM 383 CD2 PHE A 23 3.934 -2.179 4.396 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.694 -4.540 5.804 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.143 -2.233 5.526 1.00 1.27 C ATOM 386 CZ PHE A 23 3.021 -3.414 6.230 1.00 0.35 C ATOM 0 H PHE A 23 6.486 -1.303 4.036 1.00 0.25 H new ATOM 0 HA PHE A 23 7.291 -4.086 3.600 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.240 -2.364 2.140 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.351 -4.113 2.116 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.031 -5.360 4.356 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.041 -1.245 3.864 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.602 -5.465 6.353 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.619 -1.350 5.860 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.400 -3.456 7.113 1.00 0.35 H new ATOM 396 N SER A 24 8.600 -3.934 1.527 1.00 0.22 N ATOM 397 CA SER A 24 9.523 -3.851 0.385 1.00 0.27 C ATOM 398 C SER A 24 8.927 -4.435 -0.902 1.00 0.26 C ATOM 399 O SER A 24 9.354 -4.069 -1.999 1.00 0.44 O ATOM 400 CB SER A 24 10.864 -4.549 0.716 1.00 0.37 C ATOM 401 OG SER A 24 10.780 -5.352 1.892 1.00 1.04 O ATOM 0 H SER A 24 8.593 -4.844 1.988 1.00 0.22 H new ATOM 0 HA SER A 24 9.702 -2.791 0.204 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.164 -5.172 -0.126 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.641 -3.796 0.848 1.00 0.37 H new ATOM 0 HG SER A 24 10.041 -5.990 1.801 1.00 1.04 H new ATOM 407 N SER A 25 7.972 -5.356 -0.774 1.00 0.21 N ATOM 408 CA SER A 25 7.361 -6.006 -1.943 1.00 0.22 C ATOM 409 C SER A 25 5.831 -5.929 -1.890 1.00 0.20 C ATOM 410 O SER A 25 5.246 -5.640 -0.843 1.00 0.24 O ATOM 411 CB SER A 25 7.824 -7.475 -2.035 1.00 0.31 C ATOM 412 OG SER A 25 7.918 -8.087 -0.752 1.00 0.43 O ATOM 0 H SER A 25 7.603 -5.671 0.123 1.00 0.21 H new ATOM 0 HA SER A 25 7.689 -5.473 -2.836 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.125 -8.037 -2.654 1.00 0.31 H new ATOM 0 HB3 SER A 25 8.794 -7.519 -2.529 1.00 0.31 H new ATOM 0 HG SER A 25 8.212 -9.016 -0.854 1.00 0.43 H new ATOM 418 N GLN A 26 5.191 -6.194 -3.036 1.00 0.22 N ATOM 419 CA GLN A 26 3.726 -6.203 -3.138 1.00 0.23 C ATOM 420 C GLN A 26 3.135 -7.280 -2.217 1.00 0.27 C ATOM 421 O GLN A 26 2.391 -6.973 -1.291 1.00 0.44 O ATOM 422 CB GLN A 26 3.303 -6.457 -4.591 1.00 0.33 C ATOM 423 CG GLN A 26 3.954 -5.518 -5.614 1.00 0.48 C ATOM 424 CD GLN A 26 4.877 -6.232 -6.594 1.00 0.76 C ATOM 425 OE1 GLN A 26 5.462 -7.269 -6.274 1.00 1.53 O ATOM 426 NE2 GLN A 26 5.018 -5.680 -7.791 1.00 0.81 N ATOM 0 H GLN A 26 5.669 -6.406 -3.912 1.00 0.22 H new ATOM 0 HA GLN A 26 3.345 -5.231 -2.825 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.548 -7.486 -4.853 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.220 -6.359 -4.664 1.00 0.33 H new ATOM 0 HG2 GLN A 26 3.172 -5.004 -6.173 1.00 0.48 H new ATOM 0 HG3 GLN A 26 4.522 -4.753 -5.084 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.517 -4.821 -8.019 1.00 0.81 H new ATOM 0 HE22 GLN A 26 5.627 -6.114 -8.484 1.00 0.81 H new ATOM 435 N GLY A 27 3.579 -8.527 -2.413 1.00 0.23 N ATOM 436 CA GLY A 27 3.139 -9.659 -1.584 1.00 0.25 C ATOM 437 C GLY A 27 3.270 -9.420 -0.077 1.00 0.23 C ATOM 438 O GLY A 27 2.532 -10.007 0.720 1.00 0.30 O ATOM 0 H GLY A 27 4.246 -8.780 -3.142 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.098 -9.882 -1.816 1.00 0.25 H new ATOM 0 HA3 GLY A 27 3.721 -10.540 -1.853 1.00 0.25 H new ATOM 442 N GLU A 28 4.196 -8.535 0.303 1.00 0.22 N ATOM 443 CA GLU A 28 4.407 -8.159 1.695 1.00 0.25 C ATOM 444 C GLU A 28 3.196 -7.374 2.240 1.00 0.20 C ATOM 445 O GLU A 28 2.644 -7.711 3.294 1.00 0.24 O ATOM 446 CB GLU A 28 5.694 -7.315 1.784 1.00 0.34 C ATOM 447 CG GLU A 28 6.600 -7.658 2.963 1.00 0.96 C ATOM 448 CD GLU A 28 7.963 -6.997 2.868 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.443 -6.775 1.737 1.00 1.59 O ATOM 450 OE2 GLU A 28 8.553 -6.696 3.920 1.00 1.62 O ATOM 0 H GLU A 28 4.819 -8.061 -0.351 1.00 0.22 H new ATOM 0 HA GLU A 28 4.514 -9.055 2.306 1.00 0.25 H new ATOM 0 HB2 GLU A 28 6.259 -7.440 0.860 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.418 -6.262 1.849 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.115 -7.350 3.890 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.728 -8.739 3.015 1.00 0.96 H new ATOM 457 N ILE A 29 2.758 -6.356 1.482 1.00 0.17 N ATOM 458 CA ILE A 29 1.592 -5.541 1.861 1.00 0.15 C ATOM 459 C ILE A 29 0.273 -6.294 1.580 1.00 0.14 C ATOM 460 O ILE A 29 -0.748 -6.023 2.219 1.00 0.16 O ATOM 461 CB ILE A 29 1.632 -4.114 1.207 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.271 -3.639 0.677 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.674 -4.022 0.092 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.316 -2.210 0.168 1.00 0.16 C ATOM 0 H ILE A 29 3.194 -6.077 0.603 1.00 0.17 H new ATOM 0 HA ILE A 29 1.638 -5.375 2.937 1.00 0.15 H new ATOM 0 HB ILE A 29 1.917 -3.447 2.021 1.00 0.16 H new ATOM 0 HG12 ILE A 29 -0.053 -4.299 -0.128 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.472 -3.716 1.471 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.666 -3.018 -0.331 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.662 -4.237 0.499 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.438 -4.746 -0.688 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.670 -1.922 -0.196 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.613 -1.544 0.979 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.038 -2.136 -0.645 1.00 0.16 H new ATOM 476 N VAL A 30 0.329 -7.315 0.704 1.00 0.14 N ATOM 477 CA VAL A 30 -0.823 -8.193 0.441 1.00 0.16 C ATOM 478 C VAL A 30 -1.203 -8.942 1.726 1.00 0.17 C ATOM 479 O VAL A 30 -2.345 -8.870 2.196 1.00 0.24 O ATOM 480 CB VAL A 30 -0.517 -9.237 -0.675 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.632 -10.271 -0.789 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.296 -8.567 -2.022 1.00 0.23 C ATOM 0 H VAL A 30 1.163 -7.551 0.166 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.645 -7.562 0.104 1.00 0.16 H new ATOM 0 HB VAL A 30 0.403 -9.746 -0.387 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.388 -10.984 -1.576 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.737 -10.799 0.159 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.569 -9.770 -1.031 1.00 0.29 H new ATOM 0 HG21 VAL A 30 -0.085 -9.326 -2.776 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -1.192 -8.014 -2.305 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.548 -7.880 -1.953 1.00 0.23 H new ATOM 492 N ALA A 31 -0.209 -9.626 2.308 1.00 0.17 N ATOM 493 CA ALA A 31 -0.387 -10.367 3.561 1.00 0.21 C ATOM 494 C ALA A 31 -0.705 -9.422 4.726 1.00 0.21 C ATOM 495 O ALA A 31 -1.472 -9.773 5.619 1.00 0.26 O ATOM 496 CB ALA A 31 0.859 -11.199 3.870 1.00 0.25 C ATOM 0 H ALA A 31 0.735 -9.681 1.925 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.235 -11.040 3.436 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.711 -11.743 4.803 1.00 0.25 H new ATOM 0 HB2 ALA A 31 1.033 -11.908 3.060 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.722 -10.540 3.967 1.00 0.25 H new ATOM 502 N ALA A 32 -0.143 -8.205 4.686 1.00 0.18 N ATOM 503 CA ALA A 32 -0.383 -7.195 5.728 1.00 0.20 C ATOM 504 C ALA A 32 -1.869 -6.814 5.833 1.00 0.18 C ATOM 505 O ALA A 32 -2.442 -6.828 6.924 1.00 0.24 O ATOM 506 CB ALA A 32 0.470 -5.952 5.477 1.00 0.21 C ATOM 0 H ALA A 32 0.482 -7.896 3.942 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.093 -7.638 6.681 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.279 -5.216 6.258 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.525 -6.226 5.487 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.215 -5.526 4.507 1.00 0.21 H new ATOM 512 N LEU A 33 -2.501 -6.494 4.693 1.00 0.15 N ATOM 513 CA LEU A 33 -3.928 -6.137 4.684 1.00 0.15 C ATOM 514 C LEU A 33 -4.813 -7.371 4.980 1.00 0.17 C ATOM 515 O LEU A 33 -5.872 -7.252 5.607 1.00 0.21 O ATOM 516 CB LEU A 33 -4.334 -5.453 3.360 1.00 0.21 C ATOM 517 CG LEU A 33 -3.685 -4.074 3.116 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.889 -3.605 1.679 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.249 -3.040 4.079 1.00 0.37 C ATOM 0 H LEU A 33 -2.053 -6.475 3.777 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.092 -5.414 5.483 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.073 -6.113 2.532 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.418 -5.336 3.346 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.615 -4.182 3.291 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -3.419 -2.631 1.544 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -3.438 -4.323 0.994 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.956 -3.525 1.470 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.780 -2.074 3.892 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.326 -2.955 3.932 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -4.046 -3.349 5.104 1.00 0.37 H new ATOM 531 N GLN A 34 -4.336 -8.573 4.622 1.00 0.20 N ATOM 532 CA GLN A 34 -5.070 -9.810 4.935 1.00 0.26 C ATOM 533 C GLN A 34 -5.200 -9.997 6.459 1.00 0.29 C ATOM 534 O GLN A 34 -6.275 -10.344 6.957 1.00 0.38 O ATOM 535 CB GLN A 34 -4.387 -11.038 4.309 1.00 0.29 C ATOM 536 CG GLN A 34 -4.701 -11.234 2.829 1.00 0.33 C ATOM 537 CD GLN A 34 -4.019 -12.464 2.248 1.00 0.58 C ATOM 538 OE1 GLN A 34 -3.781 -13.445 2.953 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.691 -12.417 0.965 1.00 0.58 N ATOM 0 H GLN A 34 -3.458 -8.715 4.123 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.068 -9.718 4.506 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.308 -10.943 4.432 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -4.693 -11.930 4.856 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.779 -11.324 2.698 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.385 -10.351 2.274 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -3.905 -11.586 0.414 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -3.224 -13.212 0.528 1.00 0.58 H new ATOM 548 N GLU A 35 -4.110 -9.712 7.187 1.00 0.28 N ATOM 549 CA GLU A 35 -4.092 -9.797 8.658 1.00 0.34 C ATOM 550 C GLU A 35 -4.906 -8.658 9.298 1.00 0.34 C ATOM 551 O GLU A 35 -5.502 -8.832 10.365 1.00 0.45 O ATOM 552 CB GLU A 35 -2.644 -9.746 9.183 1.00 0.37 C ATOM 553 CG GLU A 35 -1.766 -10.899 8.701 1.00 0.65 C ATOM 554 CD GLU A 35 -0.302 -10.734 9.069 1.00 1.20 C ATOM 555 OE1 GLU A 35 0.189 -9.589 9.081 1.00 1.94 O ATOM 556 OE2 GLU A 35 0.356 -11.753 9.349 1.00 1.78 O ATOM 0 H GLU A 35 -3.223 -9.418 6.779 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.548 -10.748 8.935 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.190 -8.804 8.875 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.664 -9.749 10.273 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.137 -11.831 9.126 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -1.854 -10.985 7.618 1.00 0.65 H new ATOM 563 N GLN A 36 -4.902 -7.489 8.645 1.00 0.26 N ATOM 564 CA GLN A 36 -5.630 -6.305 9.123 1.00 0.28 C ATOM 565 C GLN A 36 -7.126 -6.587 9.268 1.00 0.30 C ATOM 566 O GLN A 36 -7.676 -6.517 10.368 1.00 0.39 O ATOM 567 CB GLN A 36 -5.405 -5.130 8.161 1.00 0.26 C ATOM 568 CG GLN A 36 -4.035 -4.467 8.316 1.00 0.31 C ATOM 569 CD GLN A 36 -4.105 -3.081 8.938 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.343 -2.942 10.138 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.924 -2.050 8.126 1.00 0.65 N ATOM 0 H GLN A 36 -4.396 -7.337 7.773 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.243 -6.047 10.109 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.514 -5.484 7.136 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.182 -4.383 8.325 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.399 -5.103 8.932 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.561 -4.395 7.337 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -3.729 -2.208 7.137 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.980 -1.099 8.489 1.00 0.65 H new ATOM 580 N GLY A 37 -7.778 -6.917 8.157 1.00 0.28 N ATOM 581 CA GLY A 37 -9.204 -7.208 8.191 1.00 0.33 C ATOM 582 C GLY A 37 -9.839 -7.251 6.817 1.00 0.34 C ATOM 583 O GLY A 37 -11.038 -6.990 6.682 1.00 0.46 O ATOM 0 H GLY A 37 -7.347 -6.989 7.235 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.361 -8.166 8.686 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.708 -6.452 8.793 1.00 0.33 H new ATOM 587 N PHE A 38 -9.049 -7.596 5.795 1.00 0.30 N ATOM 588 CA PHE A 38 -9.541 -7.658 4.414 1.00 0.34 C ATOM 589 C PHE A 38 -9.387 -9.071 3.848 1.00 0.45 C ATOM 590 O PHE A 38 -8.450 -9.795 4.197 1.00 0.83 O ATOM 591 CB PHE A 38 -8.800 -6.624 3.556 1.00 0.31 C ATOM 592 CG PHE A 38 -8.816 -5.249 4.175 1.00 0.26 C ATOM 593 CD1 PHE A 38 -9.944 -4.451 4.087 1.00 1.19 C ATOM 594 CD2 PHE A 38 -7.738 -4.792 4.920 1.00 1.24 C ATOM 595 CE1 PHE A 38 -9.973 -3.207 4.685 1.00 1.19 C ATOM 596 CE2 PHE A 38 -7.764 -3.554 5.515 1.00 1.26 C ATOM 597 CZ PHE A 38 -8.879 -2.761 5.401 1.00 0.29 C ATOM 0 H PHE A 38 -8.063 -7.837 5.898 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.604 -7.418 4.400 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.768 -6.945 3.415 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.258 -6.580 2.568 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.809 -4.805 3.546 1.00 1.19 H new ATOM 0 HD2 PHE A 38 -6.866 -5.419 5.034 1.00 1.24 H new ATOM 0 HE1 PHE A 38 -10.850 -2.583 4.593 1.00 1.19 H new ATOM 0 HE2 PHE A 38 -6.907 -3.205 6.072 1.00 1.26 H new ATOM 0 HZ PHE A 38 -8.901 -1.789 5.871 1.00 0.29 H new ATOM 607 N ASP A 39 -10.358 -9.477 3.027 1.00 0.46 N ATOM 608 CA ASP A 39 -10.386 -10.794 2.409 1.00 0.58 C ATOM 609 C ASP A 39 -10.756 -10.645 0.938 1.00 0.69 C ATOM 610 O ASP A 39 -11.734 -9.982 0.595 1.00 1.55 O ATOM 611 CB ASP A 39 -11.393 -11.703 3.133 1.00 0.72 C ATOM 612 CG ASP A 39 -11.277 -13.162 2.734 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.143 -13.646 2.564 1.00 2.21 O ATOM 614 OD2 ASP A 39 -12.321 -13.825 2.601 1.00 2.24 O ATOM 0 H ASP A 39 -11.153 -8.890 2.773 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.402 -11.255 2.487 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.244 -11.615 4.209 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.404 -11.355 2.922 1.00 0.72 H new ATOM 619 N ASN A 40 -9.939 -11.260 0.105 1.00 0.95 N ATOM 620 CA ASN A 40 -10.009 -11.176 -1.372 1.00 1.07 C ATOM 621 C ASN A 40 -8.935 -10.201 -1.876 1.00 0.91 C ATOM 622 O ASN A 40 -9.036 -9.638 -2.969 1.00 1.18 O ATOM 623 CB ASN A 40 -11.410 -10.774 -1.890 1.00 1.35 C ATOM 624 CG ASN A 40 -11.608 -11.055 -3.375 1.00 1.76 C ATOM 625 OD1 ASN A 40 -11.180 -12.090 -3.889 1.00 2.30 O ATOM 626 ND2 ASN A 40 -12.251 -10.130 -4.072 1.00 2.30 N ATOM 0 H ASN A 40 -9.178 -11.855 0.431 1.00 0.95 H new ATOM 0 HA ASN A 40 -9.820 -12.173 -1.770 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -12.168 -11.312 -1.321 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.567 -9.711 -1.704 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -12.407 -10.261 -5.071 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -12.590 -9.287 -3.609 1.00 2.30 H new ATOM 633 N ILE A 41 -7.913 -9.994 -1.041 1.00 0.58 N ATOM 634 CA ILE A 41 -6.784 -9.130 -1.355 1.00 0.44 C ATOM 635 C ILE A 41 -5.612 -9.996 -1.796 1.00 0.39 C ATOM 636 O ILE A 41 -5.141 -10.855 -1.045 1.00 0.62 O ATOM 637 CB ILE A 41 -6.399 -8.241 -0.135 1.00 0.40 C ATOM 638 CG1 ILE A 41 -7.291 -6.994 -0.085 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.932 -7.820 -0.169 1.00 0.39 C ATOM 640 CD1 ILE A 41 -8.751 -7.264 -0.375 1.00 1.68 C ATOM 0 H ILE A 41 -7.851 -10.428 -0.120 1.00 0.58 H new ATOM 0 HA ILE A 41 -7.060 -8.454 -2.165 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.553 -8.842 0.761 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -7.206 -6.540 0.902 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.918 -6.265 -0.804 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.711 -7.202 0.701 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.299 -8.707 -0.155 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.738 -7.250 -1.078 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -9.312 -6.331 -0.320 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -8.851 -7.689 -1.374 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -9.144 -7.967 0.359 1.00 1.68 H new ATOM 652 N ASN A 42 -5.190 -9.800 -3.035 1.00 0.33 N ATOM 653 CA ASN A 42 -4.121 -10.611 -3.640 1.00 0.31 C ATOM 654 C ASN A 42 -3.047 -9.741 -4.305 1.00 0.24 C ATOM 655 O ASN A 42 -3.069 -8.510 -4.205 1.00 0.25 O ATOM 656 CB ASN A 42 -4.727 -11.607 -4.654 1.00 0.40 C ATOM 657 CG ASN A 42 -5.656 -10.946 -5.671 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.210 -10.189 -6.537 1.00 0.66 O ATOM 659 ND2 ASN A 42 -6.952 -11.197 -5.543 1.00 0.91 N ATOM 0 H ASN A 42 -5.569 -9.083 -3.653 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.629 -11.168 -2.842 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.919 -12.111 -5.185 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.280 -12.374 -4.112 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -7.621 -10.757 -6.175 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.279 -11.830 -4.813 1.00 0.91 H new ATOM 666 N GLN A 43 -2.096 -10.405 -4.971 1.00 0.24 N ATOM 667 CA GLN A 43 -0.983 -9.740 -5.663 1.00 0.26 C ATOM 668 C GLN A 43 -1.483 -8.708 -6.678 1.00 0.22 C ATOM 669 O GLN A 43 -1.049 -7.560 -6.656 1.00 0.24 O ATOM 670 CB GLN A 43 -0.099 -10.799 -6.358 1.00 0.37 C ATOM 671 CG GLN A 43 0.975 -10.241 -7.291 1.00 0.56 C ATOM 672 CD GLN A 43 1.980 -9.353 -6.577 1.00 0.88 C ATOM 673 OE1 GLN A 43 1.993 -8.137 -6.766 1.00 1.66 O ATOM 674 NE2 GLN A 43 2.821 -9.957 -5.747 1.00 1.43 N ATOM 0 H GLN A 43 -2.075 -11.422 -5.046 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.392 -9.203 -4.921 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.387 -11.403 -5.592 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.743 -11.467 -6.930 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.502 -11.069 -7.765 1.00 0.56 H new ATOM 0 HG3 GLN A 43 0.496 -9.671 -8.087 1.00 0.56 H new ATOM 0 HE21 GLN A 43 2.775 -10.968 -5.621 1.00 1.43 H new ATOM 0 HE22 GLN A 43 3.514 -9.410 -5.235 1.00 1.43 H new ATOM 683 N SER A 44 -2.415 -9.116 -7.546 1.00 0.25 N ATOM 684 CA SER A 44 -2.986 -8.231 -8.568 1.00 0.29 C ATOM 685 C SER A 44 -3.600 -6.966 -7.951 1.00 0.28 C ATOM 686 O SER A 44 -3.339 -5.854 -8.408 1.00 0.34 O ATOM 687 CB SER A 44 -4.027 -8.983 -9.393 1.00 0.36 C ATOM 688 OG SER A 44 -3.713 -10.366 -9.525 1.00 0.83 O ATOM 0 H SER A 44 -2.793 -10.063 -7.561 1.00 0.25 H new ATOM 0 HA SER A 44 -2.174 -7.912 -9.222 1.00 0.29 H new ATOM 0 HB2 SER A 44 -5.005 -8.878 -8.924 1.00 0.36 H new ATOM 0 HB3 SER A 44 -4.098 -8.532 -10.383 1.00 0.36 H new ATOM 0 HG SER A 44 -4.406 -10.809 -10.058 1.00 0.83 H new ATOM 694 N LYS A 45 -4.374 -7.155 -6.879 1.00 0.27 N ATOM 695 CA LYS A 45 -4.990 -6.048 -6.120 1.00 0.30 C ATOM 696 C LYS A 45 -3.933 -5.021 -5.668 1.00 0.22 C ATOM 697 O LYS A 45 -4.150 -3.809 -5.728 1.00 0.26 O ATOM 698 CB LYS A 45 -5.720 -6.652 -4.888 1.00 0.39 C ATOM 699 CG LYS A 45 -6.384 -5.657 -3.931 1.00 0.64 C ATOM 700 CD LYS A 45 -5.397 -5.026 -2.945 1.00 1.44 C ATOM 701 CE LYS A 45 -5.667 -3.534 -2.768 1.00 1.92 C ATOM 702 NZ LYS A 45 -7.125 -3.206 -2.841 1.00 2.16 N ATOM 0 H LYS A 45 -4.595 -8.079 -6.507 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.698 -5.520 -6.759 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.484 -7.341 -5.248 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.000 -7.243 -4.321 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -6.864 -4.869 -4.511 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -7.170 -6.167 -3.374 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -5.472 -5.528 -1.981 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -4.378 -5.173 -3.303 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -5.272 -3.208 -1.806 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -5.133 -2.977 -3.538 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -7.336 -2.416 -2.198 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -7.372 -2.935 -3.814 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -7.682 -4.038 -2.561 1.00 2.16 H new ATOM 716 N VAL A 46 -2.806 -5.539 -5.180 1.00 0.17 N ATOM 717 CA VAL A 46 -1.714 -4.730 -4.640 1.00 0.15 C ATOM 718 C VAL A 46 -0.854 -4.102 -5.744 1.00 0.15 C ATOM 719 O VAL A 46 -0.555 -2.906 -5.687 1.00 0.20 O ATOM 720 CB VAL A 46 -0.872 -5.589 -3.657 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.468 -4.957 -3.317 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.674 -5.819 -2.378 1.00 0.22 C ATOM 0 H VAL A 46 -2.624 -6.542 -5.148 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.142 -3.891 -4.091 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.657 -6.536 -4.153 1.00 0.18 H new ATOM 0 HG11 VAL A 46 1.010 -5.603 -2.627 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.052 -4.829 -4.229 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.304 -3.985 -2.851 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.088 -6.422 -1.684 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -1.907 -4.859 -1.917 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.600 -6.341 -2.618 1.00 0.22 H new ATOM 732 N SER A 47 -0.499 -4.875 -6.773 1.00 0.17 N ATOM 733 CA SER A 47 0.296 -4.353 -7.889 1.00 0.21 C ATOM 734 C SER A 47 -0.485 -3.285 -8.673 1.00 0.22 C ATOM 735 O SER A 47 0.094 -2.300 -9.149 1.00 0.24 O ATOM 736 CB SER A 47 0.735 -5.497 -8.817 1.00 0.29 C ATOM 737 OG SER A 47 -0.287 -6.467 -8.978 1.00 1.26 O ATOM 0 H SER A 47 -0.748 -5.861 -6.857 1.00 0.17 H new ATOM 0 HA SER A 47 1.188 -3.880 -7.478 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.007 -5.091 -9.791 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.627 -5.973 -8.410 1.00 0.29 H new ATOM 0 HG SER A 47 -0.278 -7.082 -8.215 1.00 1.26 H new ATOM 743 N ARG A 48 -1.813 -3.451 -8.739 1.00 0.23 N ATOM 744 CA ARG A 48 -2.680 -2.480 -9.411 1.00 0.26 C ATOM 745 C ARG A 48 -2.739 -1.170 -8.626 1.00 0.20 C ATOM 746 O ARG A 48 -2.493 -0.103 -9.187 1.00 0.22 O ATOM 747 CB ARG A 48 -4.097 -3.044 -9.620 1.00 0.32 C ATOM 748 CG ARG A 48 -4.220 -3.929 -10.857 1.00 0.41 C ATOM 749 CD ARG A 48 -5.681 -4.144 -11.272 1.00 1.03 C ATOM 750 NE ARG A 48 -6.170 -5.489 -10.942 1.00 1.58 N ATOM 751 CZ ARG A 48 -6.893 -5.796 -9.857 1.00 2.32 C ATOM 752 NH1 ARG A 48 -7.205 -4.860 -8.966 1.00 2.75 N ATOM 753 NH2 ARG A 48 -7.280 -7.049 -9.659 1.00 3.20 N ATOM 0 H ARG A 48 -2.307 -4.247 -8.336 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.249 -2.278 -10.392 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.384 -3.620 -8.740 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.801 -2.216 -9.703 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.673 -3.475 -11.683 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -3.754 -4.894 -10.659 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -6.308 -3.402 -10.778 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -5.778 -3.979 -12.345 1.00 1.03 H new ATOM 0 HE ARG A 48 -5.942 -6.246 -11.587 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -6.893 -3.899 -9.106 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -7.756 -5.103 -8.143 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -7.027 -7.773 -10.331 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -7.831 -7.288 -8.834 1.00 3.20 H new ATOM 767 N MET A 49 -3.002 -1.260 -7.316 1.00 0.17 N ATOM 768 CA MET A 49 -3.064 -0.067 -6.459 1.00 0.16 C ATOM 769 C MET A 49 -1.710 0.661 -6.388 1.00 0.13 C ATOM 770 O MET A 49 -1.674 1.887 -6.333 1.00 0.14 O ATOM 771 CB MET A 49 -3.553 -0.427 -5.045 1.00 0.18 C ATOM 772 CG MET A 49 -5.072 -0.457 -4.913 1.00 0.27 C ATOM 773 SD MET A 49 -5.631 -0.336 -3.199 1.00 1.49 S ATOM 774 CE MET A 49 -7.219 0.472 -3.406 1.00 2.00 C ATOM 0 H MET A 49 -3.174 -2.139 -6.828 1.00 0.17 H new ATOM 0 HA MET A 49 -3.783 0.614 -6.914 1.00 0.16 H new ATOM 0 HB2 MET A 49 -3.153 -1.403 -4.769 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.149 0.295 -4.335 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.498 0.365 -5.488 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.451 -1.381 -5.349 1.00 0.27 H new ATOM 0 HE1 MET A 49 -7.134 1.521 -3.121 1.00 2.00 H new ATOM 0 HE2 MET A 49 -7.529 0.404 -4.449 1.00 2.00 H new ATOM 0 HE3 MET A 49 -7.961 -0.017 -2.774 1.00 2.00 H new ATOM 784 N LEU A 50 -0.597 -0.089 -6.424 1.00 0.13 N ATOM 785 CA LEU A 50 0.747 0.517 -6.392 1.00 0.14 C ATOM 786 C LEU A 50 0.988 1.414 -7.613 1.00 0.17 C ATOM 787 O LEU A 50 1.398 2.569 -7.474 1.00 0.21 O ATOM 788 CB LEU A 50 1.841 -0.560 -6.294 1.00 0.18 C ATOM 789 CG LEU A 50 2.200 -0.977 -4.862 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.643 -2.432 -4.811 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.272 -0.070 -4.275 1.00 0.32 C ATOM 0 H LEU A 50 -0.599 -1.108 -6.475 1.00 0.13 H new ATOM 0 HA LEU A 50 0.798 1.140 -5.499 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.514 -1.442 -6.844 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.740 -0.192 -6.787 1.00 0.18 H new ATOM 0 HG LEU A 50 1.301 -0.873 -4.255 1.00 0.19 H new ATOM 0 HD11 LEU A 50 2.891 -2.701 -3.784 1.00 0.33 H new ATOM 0 HD12 LEU A 50 1.835 -3.071 -5.168 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.520 -2.568 -5.444 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.504 -0.391 -3.260 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.171 -0.126 -4.888 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.909 0.958 -4.256 1.00 0.32 H new ATOM 803 N THR A 51 0.698 0.885 -8.805 1.00 0.19 N ATOM 804 CA THR A 51 0.838 1.645 -10.054 1.00 0.23 C ATOM 805 C THR A 51 -0.204 2.778 -10.129 1.00 0.24 C ATOM 806 O THR A 51 0.108 3.900 -10.532 1.00 0.32 O ATOM 807 CB THR A 51 0.692 0.707 -11.270 1.00 0.28 C ATOM 808 OG1 THR A 51 1.285 -0.563 -11.017 1.00 0.35 O ATOM 809 CG2 THR A 51 1.325 1.263 -12.531 1.00 0.34 C ATOM 0 H THR A 51 0.363 -0.070 -8.933 1.00 0.19 H new ATOM 0 HA THR A 51 1.832 2.093 -10.069 1.00 0.23 H new ATOM 0 HB THR A 51 -0.383 0.611 -11.426 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.677 -1.105 -10.472 1.00 0.35 H new ATOM 0 HG21 THR A 51 1.188 0.556 -13.349 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.853 2.211 -12.788 1.00 0.34 H new ATOM 0 HG23 THR A 51 2.390 1.422 -12.364 1.00 0.34 H new ATOM 817 N LYS A 52 -1.433 2.472 -9.695 1.00 0.20 N ATOM 818 CA LYS A 52 -2.548 3.430 -9.693 1.00 0.22 C ATOM 819 C LYS A 52 -2.252 4.660 -8.821 1.00 0.24 C ATOM 820 O LYS A 52 -2.446 5.795 -9.253 1.00 0.32 O ATOM 821 CB LYS A 52 -3.819 2.723 -9.193 1.00 0.22 C ATOM 822 CG LYS A 52 -5.107 3.520 -9.384 1.00 0.32 C ATOM 823 CD LYS A 52 -6.087 3.299 -8.233 1.00 0.46 C ATOM 824 CE LYS A 52 -6.224 4.538 -7.354 1.00 0.74 C ATOM 825 NZ LYS A 52 -6.881 5.668 -8.065 1.00 1.23 N ATOM 0 H LYS A 52 -1.684 1.551 -9.334 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.691 3.786 -10.713 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -3.917 1.770 -9.712 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.700 2.498 -8.133 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -4.870 4.581 -9.461 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -5.578 3.230 -10.323 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -7.064 3.030 -8.635 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -5.750 2.459 -7.626 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -6.802 4.287 -6.464 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -5.236 4.851 -7.015 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -6.815 6.529 -7.485 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -6.406 5.828 -8.976 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -7.882 5.439 -8.231 1.00 1.23 H new ATOM 839 N PHE A 53 -1.797 4.424 -7.588 1.00 0.23 N ATOM 840 CA PHE A 53 -1.495 5.506 -6.639 1.00 0.27 C ATOM 841 C PHE A 53 -0.136 6.165 -6.923 1.00 0.31 C ATOM 842 O PHE A 53 0.094 7.305 -6.521 1.00 0.49 O ATOM 843 CB PHE A 53 -1.538 4.973 -5.197 1.00 0.25 C ATOM 844 CG PHE A 53 -2.932 4.668 -4.711 1.00 0.27 C ATOM 845 CD1 PHE A 53 -3.924 5.635 -4.765 1.00 1.24 C ATOM 846 CD2 PHE A 53 -3.256 3.414 -4.211 1.00 1.13 C ATOM 847 CE1 PHE A 53 -5.205 5.359 -4.329 1.00 1.27 C ATOM 848 CE2 PHE A 53 -4.535 3.135 -3.775 1.00 1.13 C ATOM 849 CZ PHE A 53 -5.510 4.110 -3.834 1.00 0.37 C ATOM 0 H PHE A 53 -1.628 3.488 -7.219 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.259 6.273 -6.765 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -0.934 4.068 -5.134 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.082 5.707 -4.533 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -3.692 6.616 -5.153 1.00 1.24 H new ATOM 0 HD2 PHE A 53 -2.497 2.647 -4.163 1.00 1.13 H new ATOM 0 HE1 PHE A 53 -5.968 6.122 -4.376 1.00 1.27 H new ATOM 0 HE2 PHE A 53 -4.773 2.155 -3.388 1.00 1.13 H new ATOM 0 HZ PHE A 53 -6.511 3.894 -3.492 1.00 0.37 H new ATOM 859 N GLY A 54 0.759 5.445 -7.612 1.00 0.27 N ATOM 860 CA GLY A 54 2.076 5.984 -7.938 1.00 0.32 C ATOM 861 C GLY A 54 3.049 5.903 -6.773 1.00 0.28 C ATOM 862 O GLY A 54 3.586 6.921 -6.333 1.00 0.32 O ATOM 0 H GLY A 54 0.593 4.497 -7.950 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.487 5.439 -8.788 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.972 7.024 -8.247 1.00 0.32 H new ATOM 866 N ALA A 55 3.269 4.686 -6.270 1.00 0.25 N ATOM 867 CA ALA A 55 4.175 4.458 -5.140 1.00 0.24 C ATOM 868 C ALA A 55 5.646 4.503 -5.576 1.00 0.25 C ATOM 869 O ALA A 55 5.973 4.214 -6.728 1.00 0.43 O ATOM 870 CB ALA A 55 3.859 3.121 -4.482 1.00 0.30 C ATOM 0 H ALA A 55 2.830 3.838 -6.629 1.00 0.25 H new ATOM 0 HA ALA A 55 4.021 5.261 -4.419 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.536 2.959 -3.644 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.830 3.127 -4.122 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.984 2.319 -5.209 1.00 0.30 H new ATOM 876 N VAL A 56 6.525 4.847 -4.633 1.00 0.22 N ATOM 877 CA VAL A 56 7.969 4.930 -4.884 1.00 0.26 C ATOM 878 C VAL A 56 8.751 4.134 -3.832 1.00 0.26 C ATOM 879 O VAL A 56 8.420 4.177 -2.650 1.00 0.39 O ATOM 880 CB VAL A 56 8.461 6.402 -4.874 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.695 7.229 -5.896 1.00 0.55 C ATOM 882 CG2 VAL A 56 8.340 7.032 -3.485 1.00 0.44 C ATOM 0 H VAL A 56 6.259 5.076 -3.675 1.00 0.22 H new ATOM 0 HA VAL A 56 8.148 4.504 -5.871 1.00 0.26 H new ATOM 0 HB VAL A 56 9.517 6.394 -5.144 1.00 0.34 H new ATOM 0 HG11 VAL A 56 8.054 8.258 -5.874 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.850 6.812 -6.891 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.632 7.210 -5.656 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.695 8.062 -3.521 1.00 0.44 H new ATOM 0 HG22 VAL A 56 7.297 7.018 -3.169 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.942 6.465 -2.775 1.00 0.44 H new ATOM 892 N ARG A 57 9.793 3.419 -4.262 1.00 0.39 N ATOM 893 CA ARG A 57 10.642 2.663 -3.331 1.00 0.41 C ATOM 894 C ARG A 57 11.778 3.557 -2.837 1.00 0.46 C ATOM 895 O ARG A 57 12.519 4.140 -3.630 1.00 0.58 O ATOM 896 CB ARG A 57 11.186 1.391 -3.980 1.00 0.48 C ATOM 897 CG ARG A 57 10.086 0.433 -4.427 1.00 0.65 C ATOM 898 CD ARG A 57 10.596 -0.970 -4.742 1.00 0.87 C ATOM 899 NE ARG A 57 12.015 -0.992 -5.080 1.00 0.83 N ATOM 900 CZ ARG A 57 12.725 -2.109 -5.234 1.00 1.10 C ATOM 901 NH1 ARG A 57 12.159 -3.298 -5.072 1.00 1.87 N ATOM 902 NH2 ARG A 57 14.008 -2.015 -5.532 1.00 1.34 N ATOM 0 H ARG A 57 10.070 3.346 -5.241 1.00 0.39 H new ATOM 0 HA ARG A 57 10.037 2.353 -2.479 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.797 1.662 -4.841 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.840 0.880 -3.273 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.330 0.370 -3.645 1.00 0.65 H new ATOM 0 HG3 ARG A 57 9.596 0.841 -5.311 1.00 0.65 H new ATOM 0 HD2 ARG A 57 10.422 -1.617 -3.882 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.023 -1.382 -5.572 1.00 0.87 H new ATOM 0 HE ARG A 57 12.492 -0.099 -5.206 1.00 0.83 H new ATOM 0 HH11 ARG A 57 11.171 -3.363 -4.827 1.00 1.87 H new ATOM 0 HH12 ARG A 57 12.712 -4.147 -5.192 1.00 1.87 H new ATOM 0 HH21 ARG A 57 14.440 -1.098 -5.641 1.00 1.34 H new ATOM 0 HH22 ARG A 57 14.567 -2.860 -5.653 1.00 1.34 H new ATOM 916 N THR A 58 11.865 3.694 -1.525 1.00 0.44 N ATOM 917 CA THR A 58 12.825 4.599 -0.884 1.00 0.54 C ATOM 918 C THR A 58 13.592 3.901 0.246 1.00 0.50 C ATOM 919 O THR A 58 13.111 2.932 0.831 1.00 0.44 O ATOM 920 CB THR A 58 12.074 5.843 -0.326 1.00 0.69 C ATOM 921 OG1 THR A 58 10.665 5.737 -0.519 1.00 1.32 O ATOM 922 CG2 THR A 58 12.515 7.152 -0.952 1.00 1.17 C ATOM 0 H THR A 58 11.275 3.184 -0.867 1.00 0.44 H new ATOM 0 HA THR A 58 13.551 4.910 -1.635 1.00 0.54 H new ATOM 0 HB THR A 58 12.325 5.855 0.735 1.00 0.69 H new ATOM 0 HG1 THR A 58 10.224 6.533 -0.156 1.00 1.32 H new ATOM 0 HG21 THR A 58 11.948 7.974 -0.514 1.00 1.17 H new ATOM 0 HG22 THR A 58 13.578 7.304 -0.766 1.00 1.17 H new ATOM 0 HG23 THR A 58 12.336 7.120 -2.027 1.00 1.17 H new ATOM 930 N ARG A 59 14.777 4.433 0.558 1.00 0.59 N ATOM 931 CA ARG A 59 15.612 3.916 1.648 1.00 0.63 C ATOM 932 C ARG A 59 15.100 4.439 2.998 1.00 0.69 C ATOM 933 O ARG A 59 14.913 5.645 3.162 1.00 0.83 O ATOM 934 CB ARG A 59 17.082 4.350 1.439 1.00 0.78 C ATOM 935 CG ARG A 59 18.056 3.192 1.258 1.00 1.38 C ATOM 936 CD ARG A 59 19.461 3.555 1.735 1.00 1.32 C ATOM 937 NE ARG A 59 20.165 4.436 0.788 1.00 1.45 N ATOM 938 CZ ARG A 59 20.447 5.729 1.002 1.00 1.72 C ATOM 939 NH1 ARG A 59 20.097 6.321 2.138 1.00 2.35 N ATOM 940 NH2 ARG A 59 21.094 6.422 0.073 1.00 2.08 N ATOM 0 H ARG A 59 15.183 5.229 0.066 1.00 0.59 H new ATOM 0 HA ARG A 59 15.559 2.827 1.647 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.137 4.997 0.563 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.398 4.946 2.295 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.697 2.324 1.812 1.00 1.38 H new ATOM 0 HG3 ARG A 59 18.091 2.907 0.206 1.00 1.38 H new ATOM 0 HD2 ARG A 59 19.396 4.047 2.706 1.00 1.32 H new ATOM 0 HD3 ARG A 59 20.040 2.643 1.878 1.00 1.32 H new ATOM 0 HE ARG A 59 20.461 4.031 -0.100 1.00 1.45 H new ATOM 0 HH11 ARG A 59 19.608 5.791 2.860 1.00 2.35 H new ATOM 0 HH12 ARG A 59 20.317 7.305 2.289 1.00 2.35 H new ATOM 0 HH21 ARG A 59 21.374 5.970 -0.798 1.00 2.08 H new ATOM 0 HH22 ARG A 59 21.311 7.406 0.230 1.00 2.08 H new ATOM 954 N ASN A 60 14.881 3.537 3.958 1.00 0.68 N ATOM 955 CA ASN A 60 14.387 3.925 5.291 1.00 0.81 C ATOM 956 C ASN A 60 15.546 4.201 6.264 1.00 0.95 C ATOM 957 O ASN A 60 16.707 4.320 5.854 1.00 1.04 O ATOM 958 CB ASN A 60 13.406 2.861 5.846 1.00 0.82 C ATOM 959 CG ASN A 60 14.054 1.564 6.329 1.00 0.78 C ATOM 960 OD1 ASN A 60 15.259 1.354 6.191 1.00 1.00 O ATOM 961 ND2 ASN A 60 13.241 0.688 6.903 1.00 0.83 N ATOM 0 H ASN A 60 15.036 2.535 3.843 1.00 0.68 H new ATOM 0 HA ASN A 60 13.834 4.859 5.187 1.00 0.81 H new ATOM 0 HB2 ASN A 60 12.850 3.300 6.674 1.00 0.82 H new ATOM 0 HB3 ASN A 60 12.681 2.618 5.069 1.00 0.82 H new ATOM 0 HD21 ASN A 60 13.609 -0.198 7.249 1.00 0.83 H new ATOM 0 HD22 ASN A 60 12.248 0.900 6.998 1.00 0.83 H new ATOM 968 N ALA A 61 15.214 4.305 7.556 1.00 1.04 N ATOM 969 CA ALA A 61 16.196 4.597 8.613 1.00 1.20 C ATOM 970 C ALA A 61 17.384 3.624 8.608 1.00 1.20 C ATOM 971 O ALA A 61 18.524 4.032 8.851 1.00 1.38 O ATOM 972 CB ALA A 61 15.515 4.585 9.980 1.00 1.32 C ATOM 0 H ALA A 61 14.261 4.190 7.900 1.00 1.04 H new ATOM 0 HA ALA A 61 16.597 5.590 8.408 1.00 1.20 H new ATOM 0 HB1 ALA A 61 16.250 4.802 10.755 1.00 1.32 H new ATOM 0 HB2 ALA A 61 14.730 5.341 10.002 1.00 1.32 H new ATOM 0 HB3 ALA A 61 15.078 3.603 10.160 1.00 1.32 H new ATOM 978 N LYS A 62 17.114 2.340 8.343 1.00 1.07 N ATOM 979 CA LYS A 62 18.163 1.311 8.339 1.00 1.12 C ATOM 980 C LYS A 62 18.609 0.920 6.923 1.00 1.01 C ATOM 981 O LYS A 62 19.051 -0.208 6.697 1.00 1.02 O ATOM 982 CB LYS A 62 17.696 0.066 9.096 1.00 1.21 C ATOM 983 CG LYS A 62 17.518 0.294 10.594 1.00 1.40 C ATOM 984 CD LYS A 62 16.816 -0.880 11.268 1.00 2.00 C ATOM 985 CE LYS A 62 17.756 -2.065 11.473 1.00 2.34 C ATOM 986 NZ LYS A 62 17.037 -3.370 11.442 1.00 2.62 N ATOM 0 H LYS A 62 16.181 1.989 8.129 1.00 1.07 H new ATOM 0 HA LYS A 62 19.026 1.747 8.842 1.00 1.12 H new ATOM 0 HB2 LYS A 62 16.750 -0.273 8.673 1.00 1.21 H new ATOM 0 HB3 LYS A 62 18.419 -0.735 8.942 1.00 1.21 H new ATOM 0 HG2 LYS A 62 18.493 0.448 11.056 1.00 1.40 H new ATOM 0 HG3 LYS A 62 16.941 1.204 10.757 1.00 1.40 H new ATOM 0 HD2 LYS A 62 16.419 -0.561 12.232 1.00 2.00 H new ATOM 0 HD3 LYS A 62 15.966 -1.192 10.661 1.00 2.00 H new ATOM 0 HE2 LYS A 62 18.522 -2.056 10.698 1.00 2.34 H new ATOM 0 HE3 LYS A 62 18.269 -1.958 12.429 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 17.716 -4.144 11.585 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 16.323 -3.391 12.198 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 16.569 -3.487 10.521 1.00 2.62 H new ATOM 1000 N MET A 63 18.546 1.866 5.988 1.00 0.97 N ATOM 1001 CA MET A 63 19.027 1.653 4.612 1.00 0.94 C ATOM 1002 C MET A 63 18.247 0.571 3.839 1.00 0.80 C ATOM 1003 O MET A 63 18.742 0.069 2.826 1.00 0.86 O ATOM 1004 CB MET A 63 20.533 1.299 4.610 1.00 1.12 C ATOM 1005 CG MET A 63 21.356 2.011 5.666 1.00 1.30 C ATOM 1006 SD MET A 63 21.114 3.799 5.652 1.00 2.18 S ATOM 1007 CE MET A 63 22.257 4.297 4.361 1.00 3.12 C ATOM 0 H MET A 63 18.164 2.797 6.154 1.00 0.97 H new ATOM 0 HA MET A 63 18.858 2.597 4.094 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.639 0.223 4.751 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.946 1.534 3.629 1.00 1.12 H new ATOM 0 HG2 MET A 63 21.093 1.621 6.649 1.00 1.30 H new ATOM 0 HG3 MET A 63 22.412 1.790 5.507 1.00 1.30 H new ATOM 0 HE1 MET A 63 22.218 5.379 4.238 1.00 3.12 H new ATOM 0 HE2 MET A 63 23.269 3.999 4.636 1.00 3.12 H new ATOM 0 HE3 MET A 63 21.979 3.815 3.423 1.00 3.12 H new ATOM 1017 N GLU A 64 17.045 0.218 4.299 1.00 0.73 N ATOM 1018 CA GLU A 64 16.218 -0.787 3.614 1.00 0.64 C ATOM 1019 C GLU A 64 15.306 -0.116 2.579 1.00 0.52 C ATOM 1020 O GLU A 64 14.577 0.825 2.904 1.00 0.49 O ATOM 1021 CB GLU A 64 15.378 -1.590 4.622 1.00 0.70 C ATOM 1022 CG GLU A 64 16.212 -2.314 5.678 1.00 0.88 C ATOM 1023 CD GLU A 64 15.551 -3.581 6.185 1.00 1.35 C ATOM 1024 OE1 GLU A 64 14.791 -3.509 7.166 1.00 2.03 O ATOM 1025 OE2 GLU A 64 15.788 -4.653 5.597 1.00 1.79 O ATOM 0 H GLU A 64 16.621 0.610 5.140 1.00 0.73 H new ATOM 0 HA GLU A 64 16.885 -1.478 3.099 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.683 -0.915 5.121 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.779 -2.322 4.081 1.00 0.70 H new ATOM 0 HG2 GLU A 64 17.186 -2.562 5.257 1.00 0.88 H new ATOM 0 HG3 GLU A 64 16.389 -1.642 6.517 1.00 0.88 H new ATOM 1032 N MET A 65 15.384 -0.581 1.329 1.00 0.52 N ATOM 1033 CA MET A 65 14.565 -0.040 0.239 1.00 0.48 C ATOM 1034 C MET A 65 13.143 -0.593 0.316 1.00 0.43 C ATOM 1035 O MET A 65 12.905 -1.763 0.009 1.00 0.62 O ATOM 1036 CB MET A 65 15.189 -0.372 -1.125 1.00 0.58 C ATOM 1037 CG MET A 65 16.539 0.297 -1.358 1.00 0.71 C ATOM 1038 SD MET A 65 16.850 0.662 -3.093 1.00 1.38 S ATOM 1039 CE MET A 65 15.830 2.121 -3.326 1.00 1.18 C ATOM 0 H MET A 65 16.009 -1.335 1.045 1.00 0.52 H new ATOM 0 HA MET A 65 14.526 1.044 0.347 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.309 -1.452 -1.207 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.501 -0.067 -1.914 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.584 1.222 -0.784 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.330 -0.351 -0.981 1.00 0.71 H new ATOM 0 HE1 MET A 65 15.468 2.151 -4.354 1.00 1.18 H new ATOM 0 HE2 MET A 65 14.981 2.084 -2.643 1.00 1.18 H new ATOM 0 HE3 MET A 65 16.421 3.014 -3.123 1.00 1.18 H new ATOM 1049 N VAL A 66 12.210 0.250 0.751 1.00 0.32 N ATOM 1050 CA VAL A 66 10.813 -0.148 0.922 1.00 0.28 C ATOM 1051 C VAL A 66 9.855 0.776 0.164 1.00 0.25 C ATOM 1052 O VAL A 66 10.175 1.933 -0.126 1.00 0.30 O ATOM 1053 CB VAL A 66 10.423 -0.186 2.425 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.107 -1.357 3.126 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.774 1.126 3.124 1.00 0.31 C ATOM 0 H VAL A 66 12.398 1.223 0.994 1.00 0.32 H new ATOM 0 HA VAL A 66 10.720 -1.150 0.503 1.00 0.28 H new ATOM 0 HB VAL A 66 9.343 -0.321 2.484 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.822 -1.368 4.178 1.00 0.32 H new ATOM 0 HG12 VAL A 66 10.799 -2.292 2.657 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.189 -1.249 3.044 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.488 1.067 4.174 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.847 1.302 3.049 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.237 1.947 2.648 1.00 0.31 H new ATOM 1065 N TYR A 67 8.674 0.240 -0.156 1.00 0.23 N ATOM 1066 CA TYR A 67 7.620 0.978 -0.852 1.00 0.22 C ATOM 1067 C TYR A 67 7.085 2.119 0.016 1.00 0.23 C ATOM 1068 O TYR A 67 6.763 1.920 1.189 1.00 0.36 O ATOM 1069 CB TYR A 67 6.444 0.039 -1.212 1.00 0.22 C ATOM 1070 CG TYR A 67 6.552 -0.655 -2.554 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.887 0.048 -3.704 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.231 -2.003 -2.679 1.00 1.15 C ATOM 1073 CE1 TYR A 67 6.960 -0.582 -4.929 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.294 -2.641 -3.902 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.660 -1.927 -5.025 1.00 0.26 C ATOM 1076 OH TYR A 67 6.721 -2.556 -6.246 1.00 0.32 O ATOM 0 H TYR A 67 8.422 -0.724 0.062 1.00 0.23 H new ATOM 0 HA TYR A 67 8.057 1.389 -1.762 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.358 -0.721 -0.435 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.521 0.618 -1.195 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.094 1.106 -3.638 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.927 -2.560 -1.805 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.250 -0.027 -5.809 1.00 1.13 H new ATOM 0 HE2 TYR A 67 6.058 -3.692 -3.979 1.00 1.19 H new ATOM 0 HH TYR A 67 6.482 -3.500 -6.140 1.00 0.32 H new ATOM 1086 N CYS A 68 6.943 3.289 -0.590 1.00 0.17 N ATOM 1087 CA CYS A 68 6.406 4.471 0.082 1.00 0.17 C ATOM 1088 C CYS A 68 5.496 5.240 -0.864 1.00 0.20 C ATOM 1089 O CYS A 68 5.426 4.949 -2.061 1.00 0.27 O ATOM 1090 CB CYS A 68 7.540 5.383 0.576 1.00 0.16 C ATOM 1091 SG CYS A 68 7.026 6.679 1.733 1.00 1.61 S ATOM 0 H CYS A 68 7.197 3.449 -1.565 1.00 0.17 H new ATOM 0 HA CYS A 68 5.829 4.141 0.946 1.00 0.17 H new ATOM 0 HB2 CYS A 68 8.299 4.766 1.057 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.011 5.853 -0.287 1.00 0.16 H new ATOM 0 HG CYS A 68 8.061 7.383 2.083 1.00 1.61 H new ATOM 1097 N LEU A 69 4.782 6.210 -0.313 1.00 0.21 N ATOM 1098 CA LEU A 69 3.889 7.058 -1.096 1.00 0.25 C ATOM 1099 C LEU A 69 4.432 8.485 -1.124 1.00 0.30 C ATOM 1100 O LEU A 69 4.881 8.998 -0.094 1.00 0.41 O ATOM 1101 CB LEU A 69 2.471 7.040 -0.492 1.00 0.36 C ATOM 1102 CG LEU A 69 1.320 7.105 -1.503 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.420 5.960 -2.509 1.00 0.61 C ATOM 1104 CD2 LEU A 69 -0.017 7.065 -0.785 1.00 0.94 C ATOM 0 H LEU A 69 4.803 6.432 0.682 1.00 0.21 H new ATOM 0 HA LEU A 69 3.836 6.675 -2.115 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.359 6.132 0.101 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.377 7.882 0.194 1.00 0.36 H new ATOM 0 HG LEU A 69 1.394 8.046 -2.048 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.594 6.025 -3.217 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.365 6.030 -3.047 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.372 5.007 -1.982 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.824 7.112 -1.516 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.097 6.139 -0.216 1.00 0.94 H new ATOM 0 HD23 LEU A 69 -0.092 7.915 -0.107 1.00 0.94 H new ATOM 1116 N PRO A 70 4.404 9.161 -2.291 1.00 0.37 N ATOM 1117 CA PRO A 70 4.835 10.559 -2.391 1.00 0.51 C ATOM 1118 C PRO A 70 3.763 11.496 -1.821 1.00 0.71 C ATOM 1119 O PRO A 70 2.925 11.071 -1.016 1.00 1.00 O ATOM 1120 CB PRO A 70 5.027 10.734 -3.902 1.00 0.70 C ATOM 1121 CG PRO A 70 4.014 9.833 -4.520 1.00 0.64 C ATOM 1122 CD PRO A 70 3.853 8.663 -3.580 1.00 0.41 C ATOM 0 HA PRO A 70 5.736 10.796 -1.825 1.00 0.51 H new ATOM 0 HB2 PRO A 70 4.872 11.770 -4.203 1.00 0.70 H new ATOM 0 HB3 PRO A 70 6.037 10.462 -4.207 1.00 0.70 H new ATOM 0 HG2 PRO A 70 3.066 10.352 -4.659 1.00 0.64 H new ATOM 0 HG3 PRO A 70 4.341 9.498 -5.504 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.808 8.371 -3.481 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.397 7.787 -3.935 1.00 0.41 H new ATOM 1130 N ALA A 71 3.776 12.759 -2.232 1.00 0.96 N ATOM 1131 CA ALA A 71 2.743 13.713 -1.808 1.00 1.23 C ATOM 1132 C ALA A 71 1.363 13.170 -2.198 1.00 1.34 C ATOM 1133 O ALA A 71 1.172 12.756 -3.346 1.00 1.89 O ATOM 1134 CB ALA A 71 2.987 15.084 -2.433 1.00 1.66 C ATOM 0 H ALA A 71 4.483 13.150 -2.854 1.00 0.96 H new ATOM 0 HA ALA A 71 2.785 13.833 -0.725 1.00 1.23 H new ATOM 0 HB1 ALA A 71 2.211 15.776 -2.106 1.00 1.66 H new ATOM 0 HB2 ALA A 71 3.962 15.458 -2.120 1.00 1.66 H new ATOM 0 HB3 ALA A 71 2.963 14.998 -3.519 1.00 1.66 H new ATOM 1140 N GLU A 72 0.448 13.074 -1.216 1.00 1.48 N ATOM 1141 CA GLU A 72 -0.894 12.483 -1.409 1.00 1.76 C ATOM 1142 C GLU A 72 -1.497 12.814 -2.780 1.00 1.89 C ATOM 1143 O GLU A 72 -1.849 13.960 -3.058 1.00 2.17 O ATOM 1144 CB GLU A 72 -1.834 12.928 -0.286 1.00 2.19 C ATOM 1145 CG GLU A 72 -1.405 12.412 1.086 1.00 2.59 C ATOM 1146 CD GLU A 72 -2.526 12.427 2.101 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -3.463 11.618 1.961 1.00 3.59 O ATOM 1148 OE2 GLU A 72 -2.473 13.250 3.032 1.00 3.75 O ATOM 0 H GLU A 72 0.616 13.403 -0.265 1.00 1.48 H new ATOM 0 HA GLU A 72 -0.775 11.400 -1.374 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -1.875 14.017 -0.263 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -2.843 12.576 -0.502 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -1.029 11.394 0.984 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -0.580 13.021 1.455 1.00 2.59 H new ATOM 1155 N LEU A 73 -1.522 11.803 -3.651 1.00 2.03 N ATOM 1156 CA LEU A 73 -1.995 11.943 -5.023 1.00 2.45 C ATOM 1157 C LEU A 73 -3.390 11.334 -5.171 1.00 3.07 C ATOM 1158 O LEU A 73 -3.543 10.113 -5.277 1.00 3.39 O ATOM 1159 CB LEU A 73 -0.991 11.269 -5.980 1.00 2.45 C ATOM 1160 CG LEU A 73 -1.221 11.538 -7.478 1.00 2.84 C ATOM 1161 CD1 LEU A 73 0.107 11.667 -8.212 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -2.066 10.444 -8.114 1.00 3.46 C ATOM 0 H LEU A 73 -1.212 10.859 -3.419 1.00 2.03 H new ATOM 0 HA LEU A 73 -2.067 13.001 -5.277 1.00 2.45 H new ATOM 0 HB2 LEU A 73 0.013 11.602 -5.719 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -1.023 10.192 -5.813 1.00 2.45 H new ATOM 0 HG LEU A 73 -1.764 12.480 -7.563 1.00 2.84 H new ATOM 0 HD11 LEU A 73 -0.079 11.857 -9.269 1.00 3.20 H new ATOM 0 HD12 LEU A 73 0.677 12.494 -7.789 1.00 3.20 H new ATOM 0 HD13 LEU A 73 0.674 10.742 -8.103 1.00 3.20 H new ATOM 0 HD21 LEU A 73 -2.210 10.664 -9.172 1.00 3.46 H new ATOM 0 HD22 LEU A 73 -1.559 9.485 -8.009 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -3.035 10.398 -7.618 1.00 3.46 H new ATOM 1174 N GLY A 74 -4.403 12.194 -5.128 1.00 3.54 N ATOM 1175 CA GLY A 74 -5.785 11.756 -5.274 1.00 4.27 C ATOM 1176 C GLY A 74 -6.745 12.516 -4.378 1.00 4.79 C ATOM 1177 O GLY A 74 -7.137 12.012 -3.323 1.00 5.47 O ATOM 0 H GLY A 74 -4.292 13.199 -4.993 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -6.092 11.879 -6.313 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -5.849 10.692 -5.046 1.00 4.27 H new ATOM 1181 N VAL A 75 -7.131 13.730 -4.793 1.00 4.77 N ATOM 1182 CA VAL A 75 -8.108 14.536 -4.043 1.00 5.51 C ATOM 1183 C VAL A 75 -9.524 14.343 -4.631 1.00 5.62 C ATOM 1184 O VAL A 75 -10.406 13.842 -3.932 1.00 5.34 O ATOM 1185 CB VAL A 75 -7.710 16.052 -3.901 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -6.632 16.486 -4.894 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -8.914 16.990 -3.970 1.00 6.50 C ATOM 0 H VAL A 75 -6.783 14.176 -5.642 1.00 4.77 H new ATOM 0 HA VAL A 75 -8.108 14.164 -3.019 1.00 5.51 H new ATOM 0 HB VAL A 75 -7.283 16.135 -2.902 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -6.403 17.541 -4.744 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -5.731 15.893 -4.736 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -6.992 16.334 -5.911 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -8.578 18.022 -3.866 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -9.417 16.867 -4.929 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -9.608 16.752 -3.164 1.00 6.50 H new ATOM 1197 N PRO A 76 -9.748 14.608 -5.951 1.00 6.42 N ATOM 1198 CA PRO A 76 -11.082 14.428 -6.585 1.00 6.97 C ATOM 1199 C PRO A 76 -11.609 12.976 -6.566 1.00 7.29 C ATOM 1200 O PRO A 76 -12.805 12.745 -6.756 1.00 7.83 O ATOM 1201 CB PRO A 76 -10.850 14.884 -8.042 1.00 7.90 C ATOM 1202 CG PRO A 76 -9.372 14.818 -8.229 1.00 8.03 C ATOM 1203 CD PRO A 76 -8.798 15.226 -6.907 1.00 7.16 C ATOM 0 HA PRO A 76 -11.841 14.991 -6.042 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -11.368 14.234 -8.747 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -11.225 15.894 -8.205 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -9.053 13.813 -8.505 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -9.044 15.486 -9.025 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -7.783 14.853 -6.771 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -8.757 16.310 -6.798 1.00 7.16 H new ATOM 1211 N THR A 77 -10.711 12.006 -6.395 1.00 7.25 N ATOM 1212 CA THR A 77 -11.070 10.587 -6.383 1.00 7.86 C ATOM 1213 C THR A 77 -10.000 9.776 -5.637 1.00 8.48 C ATOM 1214 O THR A 77 -8.911 10.284 -5.340 1.00 8.73 O ATOM 1215 CB THR A 77 -11.225 10.077 -7.837 1.00 7.90 C ATOM 1216 OG1 THR A 77 -11.875 8.815 -7.870 1.00 8.72 O ATOM 1217 CG2 THR A 77 -9.910 9.939 -8.603 1.00 7.87 C ATOM 0 H THR A 77 -9.715 12.181 -6.261 1.00 7.25 H new ATOM 0 HA THR A 77 -12.019 10.461 -5.863 1.00 7.86 H new ATOM 0 HB THR A 77 -11.821 10.847 -8.328 1.00 7.90 H new ATOM 0 HG1 THR A 77 -11.962 8.516 -8.799 1.00 8.72 H new ATOM 0 HG21 THR A 77 -10.112 9.577 -9.611 1.00 7.87 H new ATOM 0 HG22 THR A 77 -9.418 10.910 -8.659 1.00 7.87 H new ATOM 0 HG23 THR A 77 -9.261 9.232 -8.087 1.00 7.87 H new ATOM 1225 N THR A 78 -10.312 8.512 -5.355 1.00 9.01 N ATOM 1226 CA THR A 78 -9.384 7.611 -4.670 1.00 9.88 C ATOM 1227 C THR A 78 -8.510 6.873 -5.692 1.00 10.40 C ATOM 1228 O THR A 78 -8.931 5.802 -6.182 1.00 10.57 O ATOM 1229 CB THR A 78 -10.159 6.613 -3.789 1.00 10.27 C ATOM 1230 OG1 THR A 78 -11.211 5.998 -4.523 1.00 10.30 O ATOM 1231 CG2 THR A 78 -10.769 7.246 -2.550 1.00 10.39 C ATOM 1232 OXT THR A 78 -7.429 7.397 -6.035 1.00 10.83 O ATOM 0 H THR A 78 -11.208 8.085 -5.592 1.00 9.01 H new ATOM 0 HA THR A 78 -8.733 8.200 -4.025 1.00 9.88 H new ATOM 0 HB THR A 78 -9.418 5.879 -3.473 1.00 10.27 H new ATOM 0 HG1 THR A 78 -10.868 5.683 -5.385 1.00 10.30 H new ATOM 0 HG21 THR A 78 -11.299 6.486 -1.977 1.00 10.39 H new ATOM 0 HG22 THR A 78 -9.979 7.678 -1.936 1.00 10.39 H new ATOM 0 HG23 THR A 78 -11.467 8.029 -2.847 1.00 10.39 H new TER 1240 THR A 78