USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 778 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 1 MET N :NH3+ -159:sc= -0.407 (180deg=-0.722) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.167 (180deg=-0.612) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.14) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 86:sc= 2.23 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc=-0.00678 (180deg=-0.0638) USER MOD Single : A 44 HIS : no HE2:sc= 0.576 K(o=0.58,f=-4.2!) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 2.08 (180deg=1.14) USER MOD Single : A 48 MET CE :methyl 179:sc= -0.239 (180deg=-0.242) USER MOD Single : A 49 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.561 K(o=-0.56,f=-4.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0762) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc=-0.00219 (180deg=-0.0298) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.67 K(o=0.67,f=-0.044) USER MOD Single : A 78 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.7) USER MOD Single : A 80 HIS : no HE2:sc= 0.696 K(o=0.7,f=-2.7!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00885) USER MOD Single : A 87 GLN : amide:sc= 0.424 X(o=0.42,f=-0.0043) USER MOD Single : A 88 HIS : no HE2:sc= 0.546 K(o=0.55,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.083 -1.450 8.519 1.00 -0.46 N ATOM 2 CA MET A 1 -14.781 -2.489 9.488 1.00 0.04 C ATOM 3 C MET A 1 -13.292 -2.848 9.433 1.00 0.62 C ATOM 4 O MET A 1 -12.615 -2.781 10.459 1.00 -0.50 O ATOM 5 CB MET A 1 -15.672 -3.714 9.245 1.00 -0.15 C ATOM 6 CG MET A 1 -17.062 -3.631 9.897 1.00 -0.05 C ATOM 7 SD MET A 1 -18.196 -2.305 9.384 1.00 0.74 S ATOM 8 CE MET A 1 -17.760 -0.947 10.507 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.964 -0.969 8.789 1.00 -0.46 H new ATOM 0 H2 MET A 1 -14.305 -0.760 8.496 1.00 -0.46 H new ATOM 0 H3 MET A 1 -15.196 -1.876 7.577 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.994 -2.119 10.491 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.796 -3.850 8.171 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -15.160 -4.600 9.621 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -17.566 -4.582 9.721 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -16.916 -3.542 10.974 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.656 -0.597 11.020 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -17.036 -1.300 11.242 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.325 -0.127 9.935 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.780 -3.230 8.255 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.378 -3.604 8.089 1.00 0.04 C ATOM 20 C PHE A 2 -10.467 -2.423 8.438 1.00 0.62 C ATOM 21 O PHE A 2 -10.598 -1.353 7.846 1.00 -0.50 O ATOM 22 CB PHE A 2 -11.089 -4.051 6.652 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.832 -5.276 6.159 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -13.049 -5.134 5.463 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -11.217 -6.541 6.230 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -13.611 -6.234 4.795 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -11.804 -7.650 5.595 1.00 -0.15 C ATOM 28 CZ PHE A 2 -12.993 -7.493 4.865 1.00 -0.15 C ATOM 0 H PHE A 2 -13.328 -3.287 7.396 1.00 -0.46 H new ATOM 0 HA PHE A 2 -11.178 -4.436 8.764 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -11.320 -3.221 5.984 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -10.020 -4.243 6.564 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -13.550 -4.178 5.443 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -10.292 -6.660 6.774 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -14.521 -6.111 4.226 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -11.340 -8.623 5.669 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -13.432 -8.340 4.358 1.00 -0.15 H new ATOM 38 N THR A 3 -9.544 -2.628 9.384 1.00 -0.46 N ATOM 39 CA THR A 3 -8.605 -1.618 9.850 1.00 0.04 C ATOM 40 C THR A 3 -7.379 -1.605 8.932 1.00 0.62 C ATOM 41 O THR A 3 -6.417 -2.334 9.171 1.00 -0.50 O ATOM 42 CB THR A 3 -8.230 -1.919 11.311 1.00 0.17 C ATOM 43 OG1 THR A 3 -9.406 -2.084 12.078 1.00 -0.55 O ATOM 44 CG2 THR A 3 -7.397 -0.790 11.926 1.00 -0.19 C ATOM 0 H THR A 3 -9.432 -3.526 9.855 1.00 -0.46 H new ATOM 0 HA THR A 3 -9.055 -0.626 9.816 1.00 0.04 H new ATOM 0 HB THR A 3 -7.635 -2.832 11.318 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.165 -2.277 13.008 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -7.152 -1.040 12.958 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -6.477 -0.664 11.355 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.968 0.138 11.903 1.00 -0.19 H new ATOM 52 N ILE A 4 -7.412 -0.782 7.875 1.00 -0.46 N ATOM 53 CA ILE A 4 -6.322 -0.689 6.913 1.00 0.04 C ATOM 54 C ILE A 4 -5.283 0.303 7.449 1.00 0.62 C ATOM 55 O ILE A 4 -5.390 1.507 7.225 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.840 -0.294 5.512 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -8.145 -0.992 5.092 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.741 -0.505 4.463 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.090 -2.519 5.149 1.00 -0.09 C ATOM 0 H ILE A 4 -8.198 -0.165 7.669 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.850 -1.664 6.793 1.00 0.04 H new ATOM 0 HB ILE A 4 -7.094 0.764 5.575 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -8.952 -0.645 5.737 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -8.395 -0.687 4.076 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -6.118 -0.223 3.480 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.878 0.112 4.711 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -5.446 -1.554 4.451 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.050 -2.930 4.837 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -7.307 -2.880 4.482 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -7.873 -2.837 6.169 1.00 -0.09 H new ATOM 71 N ASN A 5 -4.273 -0.197 8.167 1.00 -0.46 N ATOM 72 CA ASN A 5 -3.194 0.636 8.681 1.00 0.04 C ATOM 73 C ASN A 5 -2.381 1.205 7.516 1.00 0.62 C ATOM 74 O ASN A 5 -1.938 0.456 6.650 1.00 -0.50 O ATOM 75 CB ASN A 5 -2.316 -0.175 9.637 1.00 -0.09 C ATOM 76 CG ASN A 5 -3.087 -0.579 10.891 1.00 0.68 C ATOM 77 OD1 ASN A 5 -3.549 -1.713 10.999 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -3.229 0.348 11.841 1.00 -0.87 N ATOM 0 H ASN A 5 -4.185 -1.185 8.405 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.611 1.472 9.242 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -1.950 -1.067 9.129 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -1.442 0.413 9.918 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -3.737 0.127 12.697 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -2.829 1.277 11.711 1.00 -0.87 H new ATOM 85 N ALA A 6 -2.206 2.532 7.489 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.523 3.233 6.412 1.00 0.04 C ATOM 87 C ALA A 6 -0.796 4.464 6.952 1.00 0.62 C ATOM 88 O ALA A 6 -1.033 4.887 8.083 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.543 3.628 5.343 1.00 -0.10 C ATOM 0 H ALA A 6 -2.542 3.151 8.227 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.777 2.575 5.966 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.037 4.154 4.533 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.023 2.732 4.949 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.297 4.280 5.783 1.00 -0.10 H new ATOM 95 N GLU A 7 0.097 5.018 6.127 1.00 -0.46 N ATOM 96 CA GLU A 7 0.955 6.146 6.463 1.00 0.04 C ATOM 97 C GLU A 7 0.734 7.260 5.439 1.00 0.62 C ATOM 98 O GLU A 7 0.193 7.014 4.361 1.00 -0.50 O ATOM 99 CB GLU A 7 2.419 5.686 6.447 1.00 -0.18 C ATOM 100 CG GLU A 7 2.708 4.520 7.405 1.00 -0.40 C ATOM 101 CD GLU A 7 2.791 4.963 8.862 1.00 0.71 C ATOM 102 OE1 GLU A 7 1.717 5.164 9.466 1.00 -0.72 O ATOM 103 OE2 GLU A 7 3.938 5.078 9.349 1.00 -0.72 O ATOM 0 H GLU A 7 0.244 4.679 5.176 1.00 -0.46 H new ATOM 0 HA GLU A 7 0.715 6.523 7.457 1.00 0.04 H new ATOM 0 HB2 GLU A 7 2.686 5.387 5.433 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 3.059 6.528 6.710 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 1.926 3.768 7.302 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 3.647 4.045 7.120 1.00 -0.40 H new ATOM 110 N VAL A 8 1.173 8.480 5.774 1.00 -0.46 N ATOM 111 CA VAL A 8 1.008 9.677 4.953 1.00 0.04 C ATOM 112 C VAL A 8 2.043 9.728 3.816 1.00 0.62 C ATOM 113 O VAL A 8 2.770 10.706 3.660 1.00 -0.50 O ATOM 114 CB VAL A 8 1.009 10.938 5.842 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.239 10.960 6.736 1.00 -0.09 C ATOM 116 CG2 VAL A 8 2.258 11.069 6.730 1.00 -0.09 C ATOM 0 H VAL A 8 1.666 8.662 6.648 1.00 -0.46 H new ATOM 0 HA VAL A 8 0.037 9.639 4.460 1.00 0.04 H new ATOM 0 HB VAL A 8 1.011 11.784 5.155 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.225 11.855 7.358 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.133 10.965 6.113 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.246 10.076 7.373 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 2.187 11.979 7.326 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 2.326 10.206 7.392 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 3.148 11.115 6.102 1.00 -0.09 H new ATOM 126 N ARG A 9 2.080 8.665 3.005 1.00 -0.46 N ATOM 127 CA ARG A 9 2.946 8.498 1.847 1.00 0.04 C ATOM 128 C ARG A 9 4.427 8.689 2.218 1.00 0.62 C ATOM 129 O ARG A 9 5.152 9.436 1.565 1.00 -0.50 O ATOM 130 CB ARG A 9 2.460 9.385 0.684 1.00 -0.08 C ATOM 131 CG ARG A 9 2.439 8.643 -0.662 1.00 -0.10 C ATOM 132 CD ARG A 9 3.797 8.082 -1.090 1.00 -0.23 C ATOM 133 NE ARG A 9 4.811 9.138 -1.209 1.00 -0.32 N ATOM 134 CZ ARG A 9 5.117 9.824 -2.321 1.00 0.76 C ATOM 135 NH1 ARG A 9 4.404 9.675 -3.445 1.00 -0.62 N ATOM 136 NH2 ARG A 9 6.154 10.672 -2.300 1.00 -0.62 N ATOM 0 H ARG A 9 1.472 7.859 3.152 1.00 -0.46 H new ATOM 0 HA ARG A 9 2.880 7.470 1.491 1.00 0.04 H new ATOM 0 HB2 ARG A 9 1.458 9.752 0.907 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 3.108 10.257 0.603 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 1.723 7.824 -0.601 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 2.080 9.324 -1.434 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 4.129 7.340 -0.364 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 3.693 7.569 -2.046 1.00 -0.23 H new ATOM 0 HE ARG A 9 5.333 9.373 -0.365 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 3.613 9.031 -3.466 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 4.652 10.205 -4.280 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 6.699 10.790 -1.446 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 6.398 11.200 -3.138 1.00 -0.62 H new ATOM 150 N LYS A 10 4.875 8.016 3.288 1.00 -0.46 N ATOM 151 CA LYS A 10 6.223 8.186 3.823 1.00 0.04 C ATOM 152 C LYS A 10 7.294 7.537 2.939 1.00 0.62 C ATOM 153 O LYS A 10 8.430 8.007 2.919 1.00 -0.50 O ATOM 154 CB LYS A 10 6.296 7.684 5.272 1.00 -0.10 C ATOM 155 CG LYS A 10 6.289 6.156 5.412 1.00 -0.16 C ATOM 156 CD LYS A 10 6.337 5.787 6.898 1.00 -0.18 C ATOM 157 CE LYS A 10 6.522 4.279 7.090 1.00 -0.04 C ATOM 158 NZ LYS A 10 6.337 3.900 8.502 1.00 -0.14 N ATOM 0 H LYS A 10 4.310 7.341 3.802 1.00 -0.46 H new ATOM 0 HA LYS A 10 6.441 9.254 3.822 1.00 0.04 H new ATOM 0 HB2 LYS A 10 7.202 8.075 5.735 1.00 -0.10 H new ATOM 0 HB3 LYS A 10 5.452 8.092 5.828 1.00 -0.10 H new ATOM 0 HG2 LYS A 10 5.393 5.741 4.950 1.00 -0.16 H new ATOM 0 HG3 LYS A 10 7.145 5.727 4.890 1.00 -0.16 H new ATOM 0 HD2 LYS A 10 7.155 6.321 7.381 1.00 -0.18 H new ATOM 0 HD3 LYS A 10 5.416 6.108 7.385 1.00 -0.18 H new ATOM 0 HE2 LYS A 10 5.808 3.739 6.468 1.00 -0.04 H new ATOM 0 HE3 LYS A 10 7.518 3.986 6.759 1.00 -0.04 H new ATOM 0 HZ1 LYS A 10 6.130 2.883 8.564 1.00 -0.14 H new ATOM 0 HZ2 LYS A 10 7.206 4.110 9.034 1.00 -0.14 H new ATOM 0 HZ3 LYS A 10 5.545 4.440 8.905 1.00 -0.14 H new ATOM 172 N GLU A 11 6.925 6.452 2.241 1.00 -0.46 N ATOM 173 CA GLU A 11 7.766 5.638 1.369 1.00 0.04 C ATOM 174 C GLU A 11 8.799 4.851 2.174 1.00 0.62 C ATOM 175 O GLU A 11 8.690 3.634 2.302 1.00 -0.50 O ATOM 176 CB GLU A 11 8.379 6.467 0.230 1.00 -0.18 C ATOM 177 CG GLU A 11 7.256 7.155 -0.552 1.00 -0.40 C ATOM 178 CD GLU A 11 7.748 7.785 -1.847 1.00 0.71 C ATOM 179 OE1 GLU A 11 8.515 8.765 -1.747 1.00 -0.72 O ATOM 180 OE2 GLU A 11 7.324 7.297 -2.917 1.00 -0.72 O ATOM 0 H GLU A 11 5.967 6.102 2.277 1.00 -0.46 H new ATOM 0 HA GLU A 11 7.132 4.898 0.882 1.00 0.04 H new ATOM 0 HB2 GLU A 11 9.066 7.211 0.634 1.00 -0.18 H new ATOM 0 HB3 GLU A 11 8.959 5.824 -0.432 1.00 -0.18 H new ATOM 0 HG2 GLU A 11 6.477 6.427 -0.779 1.00 -0.40 H new ATOM 0 HG3 GLU A 11 6.801 7.924 0.072 1.00 -0.40 H new ATOM 187 N GLN A 12 9.783 5.555 2.741 1.00 -0.46 N ATOM 188 CA GLN A 12 10.734 5.008 3.693 1.00 0.04 C ATOM 189 C GLN A 12 11.149 6.151 4.618 1.00 0.62 C ATOM 190 O GLN A 12 12.280 6.632 4.576 1.00 -0.50 O ATOM 191 CB GLN A 12 11.906 4.352 2.948 1.00 -0.10 C ATOM 192 CG GLN A 12 12.788 3.518 3.885 1.00 -0.10 C ATOM 193 CD GLN A 12 13.902 2.791 3.131 1.00 0.68 C ATOM 194 OE1 GLN A 12 14.237 3.139 2.001 1.00 -0.47 O ATOM 195 NE2 GLN A 12 14.480 1.765 3.759 1.00 -0.87 N ATOM 0 H GLN A 12 9.938 6.543 2.541 1.00 -0.46 H new ATOM 0 HA GLN A 12 10.302 4.214 4.302 1.00 0.04 H new ATOM 0 HB2 GLN A 12 11.519 3.715 2.152 1.00 -0.10 H new ATOM 0 HB3 GLN A 12 12.511 5.124 2.473 1.00 -0.10 H new ATOM 0 HG2 GLN A 12 13.227 4.168 4.642 1.00 -0.10 H new ATOM 0 HG3 GLN A 12 12.171 2.789 4.410 1.00 -0.10 H new ATOM 0 HE21 GLN A 12 14.176 1.504 4.697 1.00 -0.87 H new ATOM 0 HE22 GLN A 12 15.226 1.241 3.301 1.00 -0.87 H new ATOM 204 N GLY A 13 10.194 6.607 5.438 1.00 -0.46 N ATOM 205 CA GLY A 13 10.381 7.703 6.370 1.00 0.04 C ATOM 206 C GLY A 13 10.244 9.051 5.666 1.00 0.62 C ATOM 207 O GLY A 13 9.272 9.766 5.902 1.00 -0.50 O ATOM 0 H GLY A 13 9.255 6.210 5.465 1.00 -0.46 H new ATOM 0 HA2 GLY A 13 9.647 7.632 7.172 1.00 0.04 H new ATOM 0 HA3 GLY A 13 11.366 7.628 6.831 1.00 0.04 H new ATOM 211 N LYS A 14 11.232 9.403 4.830 1.00 -0.46 N ATOM 212 CA LYS A 14 11.368 10.734 4.248 1.00 0.04 C ATOM 213 C LYS A 14 11.344 10.667 2.716 1.00 0.62 C ATOM 214 O LYS A 14 12.267 11.132 2.050 1.00 -0.50 O ATOM 215 CB LYS A 14 12.637 11.392 4.816 1.00 -0.10 C ATOM 216 CG LYS A 14 12.658 12.911 4.592 1.00 -0.16 C ATOM 217 CD LYS A 14 13.896 13.526 5.253 1.00 -0.18 C ATOM 218 CE LYS A 14 13.917 15.044 5.040 1.00 -0.04 C ATOM 219 NZ LYS A 14 15.090 15.662 5.680 1.00 -0.14 N ATOM 0 H LYS A 14 11.966 8.757 4.539 1.00 -0.46 H new ATOM 0 HA LYS A 14 10.519 11.360 4.522 1.00 0.04 H new ATOM 0 HB2 LYS A 14 12.704 11.184 5.884 1.00 -0.10 H new ATOM 0 HB3 LYS A 14 13.515 10.946 4.348 1.00 -0.10 H new ATOM 0 HG2 LYS A 14 12.661 13.128 3.524 1.00 -0.16 H new ATOM 0 HG3 LYS A 14 11.755 13.360 5.006 1.00 -0.16 H new ATOM 0 HD2 LYS A 14 13.896 13.302 6.320 1.00 -0.18 H new ATOM 0 HD3 LYS A 14 14.799 13.081 4.834 1.00 -0.18 H new ATOM 0 HE2 LYS A 14 13.926 15.263 3.972 1.00 -0.04 H new ATOM 0 HE3 LYS A 14 13.006 15.482 5.447 1.00 -0.04 H new ATOM 0 HZ1 LYS A 14 15.074 16.689 5.517 1.00 -0.14 H new ATOM 0 HZ2 LYS A 14 15.067 15.473 6.703 1.00 -0.14 H new ATOM 0 HZ3 LYS A 14 15.959 15.261 5.273 1.00 -0.14 H new ATOM 233 N GLY A 15 10.256 10.118 2.163 1.00 -0.46 N ATOM 234 CA GLY A 15 9.913 10.207 0.750 1.00 0.04 C ATOM 235 C GLY A 15 10.999 9.680 -0.192 1.00 0.62 C ATOM 236 O GLY A 15 11.286 10.308 -1.212 1.00 -0.50 O ATOM 0 H GLY A 15 9.575 9.587 2.706 1.00 -0.46 H new ATOM 0 HA2 GLY A 15 8.993 9.649 0.575 1.00 0.04 H new ATOM 0 HA3 GLY A 15 9.706 11.248 0.502 1.00 0.04 H new ATOM 240 N ALA A 16 11.599 8.530 0.138 1.00 -0.46 N ATOM 241 CA ALA A 16 12.627 7.902 -0.682 1.00 0.04 C ATOM 242 C ALA A 16 11.969 6.929 -1.661 1.00 0.62 C ATOM 243 O ALA A 16 11.887 5.730 -1.393 1.00 -0.50 O ATOM 244 CB ALA A 16 13.654 7.212 0.217 1.00 -0.10 C ATOM 0 H ALA A 16 11.379 8.010 0.988 1.00 -0.46 H new ATOM 0 HA ALA A 16 13.158 8.653 -1.266 1.00 0.04 H new ATOM 0 HB1 ALA A 16 14.421 6.744 -0.400 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 14.116 7.949 0.874 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 13.158 6.451 0.819 1.00 -0.10 H new ATOM 250 N SER A 17 11.508 7.450 -2.806 1.00 -0.46 N ATOM 251 CA SER A 17 10.786 6.686 -3.819 1.00 0.04 C ATOM 252 C SER A 17 11.743 5.888 -4.719 1.00 0.62 C ATOM 253 O SER A 17 11.655 5.977 -5.944 1.00 -0.50 O ATOM 254 CB SER A 17 9.914 7.652 -4.639 1.00 0.02 C ATOM 255 OG SER A 17 8.812 6.961 -5.185 1.00 -0.55 O ATOM 0 H SER A 17 11.631 8.432 -3.054 1.00 -0.46 H new ATOM 0 HA SER A 17 10.148 5.953 -3.326 1.00 0.04 H new ATOM 0 HB2 SER A 17 9.565 8.467 -4.005 1.00 0.02 H new ATOM 0 HB3 SER A 17 10.505 8.100 -5.438 1.00 0.02 H new ATOM 0 HG SER A 17 8.085 6.933 -4.528 1.00 -0.55 H new ATOM 261 N ARG A 18 12.666 5.119 -4.120 1.00 -0.46 N ATOM 262 CA ARG A 18 13.683 4.350 -4.831 1.00 0.04 C ATOM 263 C ARG A 18 13.845 2.971 -4.187 1.00 0.62 C ATOM 264 O ARG A 18 14.966 2.535 -3.928 1.00 -0.50 O ATOM 265 CB ARG A 18 15.028 5.108 -4.860 1.00 -0.08 C ATOM 266 CG ARG A 18 14.962 6.453 -5.595 1.00 -0.10 C ATOM 267 CD ARG A 18 14.582 7.623 -4.674 1.00 -0.23 C ATOM 268 NE ARG A 18 13.618 8.521 -5.327 1.00 -0.32 N ATOM 269 CZ ARG A 18 13.194 9.694 -4.827 1.00 0.76 C ATOM 270 NH1 ARG A 18 13.669 10.157 -3.663 1.00 -0.62 N ATOM 271 NH2 ARG A 18 12.280 10.406 -5.500 1.00 -0.62 N ATOM 0 H ARG A 18 12.722 5.017 -3.107 1.00 -0.46 H new ATOM 0 HA ARG A 18 13.358 4.215 -5.863 1.00 0.04 H new ATOM 0 HB2 ARG A 18 15.361 5.279 -3.836 1.00 -0.08 H new ATOM 0 HB3 ARG A 18 15.779 4.479 -5.338 1.00 -0.08 H new ATOM 0 HG2 ARG A 18 15.929 6.658 -6.053 1.00 -0.10 H new ATOM 0 HG3 ARG A 18 14.235 6.383 -6.404 1.00 -0.10 H new ATOM 0 HD2 ARG A 18 14.155 7.237 -3.749 1.00 -0.23 H new ATOM 0 HD3 ARG A 18 15.478 8.182 -4.403 1.00 -0.23 H new ATOM 0 HE ARG A 18 13.242 8.231 -6.230 1.00 -0.32 H new ATOM 0 HH11 ARG A 18 14.362 9.617 -3.144 1.00 -0.62 H new ATOM 0 HH12 ARG A 18 13.338 11.049 -3.296 1.00 -0.62 H new ATOM 0 HH21 ARG A 18 11.912 10.057 -6.385 1.00 -0.62 H new ATOM 0 HH22 ARG A 18 11.953 11.297 -5.128 1.00 -0.62 H new ATOM 285 N ARG A 19 12.730 2.272 -3.937 1.00 -0.46 N ATOM 286 CA ARG A 19 12.759 0.915 -3.404 1.00 0.04 C ATOM 287 C ARG A 19 11.403 0.228 -3.578 1.00 0.62 C ATOM 288 O ARG A 19 11.337 -0.891 -4.084 1.00 -0.50 O ATOM 289 CB ARG A 19 13.197 0.918 -1.926 1.00 -0.08 C ATOM 290 CG ARG A 19 14.007 -0.335 -1.564 1.00 -0.10 C ATOM 291 CD ARG A 19 15.441 -0.240 -2.100 1.00 -0.23 C ATOM 292 NE ARG A 19 16.232 -1.425 -1.742 1.00 -0.32 N ATOM 293 CZ ARG A 19 17.501 -1.633 -2.132 1.00 0.76 C ATOM 294 NH1 ARG A 19 18.144 -0.729 -2.886 1.00 -0.62 N ATOM 295 NH2 ARG A 19 18.133 -2.757 -1.765 1.00 -0.62 N ATOM 0 H ARG A 19 11.790 2.634 -4.099 1.00 -0.46 H new ATOM 0 HA ARG A 19 13.494 0.344 -3.971 1.00 0.04 H new ATOM 0 HB2 ARG A 19 13.796 1.807 -1.727 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 12.316 0.977 -1.287 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 14.028 -0.458 -0.481 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 13.519 -1.219 -1.976 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 15.418 -0.131 -3.184 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 15.921 0.653 -1.700 1.00 -0.23 H new ATOM 0 HE ARG A 19 15.789 -2.136 -1.160 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 17.670 0.128 -3.170 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 19.107 -0.899 -3.175 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 17.651 -3.450 -1.192 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 19.096 -2.920 -2.059 1.00 -0.62 H new ATOM 309 N LEU A 20 10.327 0.898 -3.149 1.00 -0.46 N ATOM 310 CA LEU A 20 8.980 0.340 -3.130 1.00 0.04 C ATOM 311 C LEU A 20 8.405 0.080 -4.525 1.00 0.62 C ATOM 312 O LEU A 20 7.456 -0.692 -4.648 1.00 -0.50 O ATOM 313 CB LEU A 20 8.059 1.237 -2.294 1.00 -0.06 C ATOM 314 CG LEU A 20 7.819 2.618 -2.930 1.00 -0.01 C ATOM 315 CD1 LEU A 20 6.467 2.677 -3.649 1.00 -0.11 C ATOM 316 CD2 LEU A 20 7.848 3.696 -1.846 1.00 -0.11 C ATOM 0 H LEU A 20 10.374 1.856 -2.802 1.00 -0.46 H new ATOM 0 HA LEU A 20 9.044 -0.643 -2.663 1.00 0.04 H new ATOM 0 HB2 LEU A 20 7.101 0.736 -2.157 1.00 -0.06 H new ATOM 0 HB3 LEU A 20 8.494 1.371 -1.303 1.00 -0.06 H new ATOM 0 HG LEU A 20 8.610 2.790 -3.660 1.00 -0.01 H new ATOM 0 HD11 LEU A 20 6.330 3.666 -4.086 1.00 -0.11 H new ATOM 0 HD12 LEU A 20 6.441 1.925 -4.437 1.00 -0.11 H new ATOM 0 HD13 LEU A 20 5.667 2.482 -2.935 1.00 -0.11 H new ATOM 0 HD21 LEU A 20 7.678 4.673 -2.299 1.00 -0.11 H new ATOM 0 HD22 LEU A 20 7.067 3.495 -1.112 1.00 -0.11 H new ATOM 0 HD23 LEU A 20 8.820 3.690 -1.352 1.00 -0.11 H new ATOM 328 N ARG A 21 8.965 0.713 -5.565 1.00 -0.46 N ATOM 329 CA ARG A 21 8.528 0.563 -6.946 1.00 0.04 C ATOM 330 C ARG A 21 9.002 -0.784 -7.505 1.00 0.62 C ATOM 331 O ARG A 21 9.848 -0.832 -8.397 1.00 -0.50 O ATOM 332 CB ARG A 21 9.057 1.739 -7.785 1.00 -0.08 C ATOM 333 CG ARG A 21 8.613 3.102 -7.241 1.00 -0.10 C ATOM 334 CD ARG A 21 8.997 4.203 -8.236 1.00 -0.23 C ATOM 335 NE ARG A 21 8.695 5.539 -7.700 1.00 -0.32 N ATOM 336 CZ ARG A 21 8.459 6.642 -8.430 1.00 0.76 C ATOM 337 NH1 ARG A 21 8.479 6.612 -9.770 1.00 -0.62 N ATOM 338 NH2 ARG A 21 8.200 7.795 -7.800 1.00 -0.62 N ATOM 0 H ARG A 21 9.750 1.355 -5.460 1.00 -0.46 H new ATOM 0 HA ARG A 21 7.439 0.576 -6.990 1.00 0.04 H new ATOM 0 HB2 ARG A 21 10.146 1.700 -7.811 1.00 -0.08 H new ATOM 0 HB3 ARG A 21 8.710 1.632 -8.813 1.00 -0.08 H new ATOM 0 HG2 ARG A 21 7.535 3.106 -7.077 1.00 -0.10 H new ATOM 0 HG3 ARG A 21 9.083 3.290 -6.276 1.00 -0.10 H new ATOM 0 HD2 ARG A 21 10.060 4.133 -8.466 1.00 -0.23 H new ATOM 0 HD3 ARG A 21 8.458 4.054 -9.172 1.00 -0.23 H new ATOM 0 HE ARG A 21 8.662 5.637 -6.685 1.00 -0.32 H new ATOM 0 HH11 ARG A 21 8.677 5.738 -10.258 1.00 -0.62 H new ATOM 0 HH12 ARG A 21 8.297 7.463 -10.302 1.00 -0.62 H new ATOM 0 HH21 ARG A 21 8.184 7.827 -6.781 1.00 -0.62 H new ATOM 0 HH22 ARG A 21 8.019 8.641 -8.340 1.00 -0.62 H new ATOM 352 N ALA A 22 8.455 -1.880 -6.965 1.00 -0.46 N ATOM 353 CA ALA A 22 8.826 -3.245 -7.302 1.00 0.04 C ATOM 354 C ALA A 22 7.775 -4.209 -6.749 1.00 0.62 C ATOM 355 O ALA A 22 7.127 -4.921 -7.514 1.00 -0.50 O ATOM 356 CB ALA A 22 10.218 -3.566 -6.742 1.00 -0.10 C ATOM 0 H ALA A 22 7.719 -1.831 -6.260 1.00 -0.46 H new ATOM 0 HA ALA A 22 8.866 -3.357 -8.385 1.00 0.04 H new ATOM 0 HB1 ALA A 22 10.487 -4.590 -7.000 1.00 -0.10 H new ATOM 0 HB2 ALA A 22 10.949 -2.881 -7.170 1.00 -0.10 H new ATOM 0 HB3 ALA A 22 10.208 -3.455 -5.658 1.00 -0.10 H new ATOM 362 N ALA A 23 7.621 -4.238 -5.418 1.00 -0.46 N ATOM 363 CA ALA A 23 6.744 -5.170 -4.716 1.00 0.04 C ATOM 364 C ALA A 23 6.589 -4.772 -3.247 1.00 0.62 C ATOM 365 O ALA A 23 5.481 -4.814 -2.714 1.00 -0.50 O ATOM 366 CB ALA A 23 7.304 -6.595 -4.810 1.00 -0.10 C ATOM 0 H ALA A 23 8.114 -3.601 -4.793 1.00 -0.46 H new ATOM 0 HA ALA A 23 5.763 -5.136 -5.190 1.00 0.04 H new ATOM 0 HB1 ALA A 23 6.642 -7.282 -4.283 1.00 -0.10 H new ATOM 0 HB2 ALA A 23 7.374 -6.890 -5.857 1.00 -0.10 H new ATOM 0 HB3 ALA A 23 8.295 -6.627 -4.357 1.00 -0.10 H new ATOM 372 N ASN A 24 7.705 -4.420 -2.593 1.00 -0.46 N ATOM 373 CA ASN A 24 7.772 -4.106 -1.172 1.00 0.04 C ATOM 374 C ASN A 24 7.015 -2.808 -0.888 1.00 0.62 C ATOM 375 O ASN A 24 7.597 -1.729 -0.955 1.00 -0.50 O ATOM 376 CB ASN A 24 9.241 -3.990 -0.738 1.00 -0.09 C ATOM 377 CG ASN A 24 10.029 -5.293 -0.891 1.00 0.68 C ATOM 378 OD1 ASN A 24 9.463 -6.355 -1.140 1.00 -0.47 O ATOM 379 ND2 ASN A 24 11.352 -5.211 -0.741 1.00 -0.87 N ATOM 0 H ASN A 24 8.609 -4.346 -3.059 1.00 -0.46 H new ATOM 0 HA ASN A 24 7.303 -4.906 -0.599 1.00 0.04 H new ATOM 0 HB2 ASN A 24 9.725 -3.211 -1.327 1.00 -0.09 H new ATOM 0 HB3 ASN A 24 9.279 -3.672 0.304 1.00 -0.09 H new ATOM 0 HD21 ASN A 24 11.928 -6.047 -0.833 1.00 -0.87 H new ATOM 0 HD22 ASN A 24 11.787 -4.312 -0.535 1.00 -0.87 H new ATOM 386 N LYS A 25 5.719 -2.929 -0.577 1.00 -0.46 N ATOM 387 CA LYS A 25 4.763 -1.835 -0.456 1.00 0.04 C ATOM 388 C LYS A 25 4.457 -1.218 -1.824 1.00 0.62 C ATOM 389 O LYS A 25 5.179 -1.436 -2.797 1.00 -0.50 O ATOM 390 CB LYS A 25 5.196 -0.766 0.567 1.00 -0.10 C ATOM 391 CG LYS A 25 5.485 -1.344 1.962 1.00 -0.16 C ATOM 392 CD LYS A 25 6.950 -1.162 2.371 1.00 -0.18 C ATOM 393 CE LYS A 25 7.163 -1.708 3.785 1.00 -0.04 C ATOM 394 NZ LYS A 25 8.572 -1.609 4.195 1.00 -0.14 N ATOM 0 H LYS A 25 5.294 -3.838 -0.395 1.00 -0.46 H new ATOM 0 HA LYS A 25 3.842 -2.267 -0.065 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.088 -0.260 0.198 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 4.413 -0.012 0.648 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 4.842 -0.858 2.695 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 5.236 -2.405 1.973 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 7.601 -1.682 1.668 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 7.219 -0.106 2.334 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 6.539 -1.155 4.487 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 6.843 -2.749 3.826 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 8.681 -1.988 5.158 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 9.164 -2.157 3.538 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 8.869 -0.612 4.179 1.00 -0.14 H new ATOM 408 N PHE A 26 3.362 -0.457 -1.895 1.00 -0.46 N ATOM 409 CA PHE A 26 2.917 0.222 -3.102 1.00 0.04 C ATOM 410 C PHE A 26 2.015 1.397 -2.698 1.00 0.62 C ATOM 411 O PHE A 26 1.378 1.342 -1.644 1.00 -0.50 O ATOM 412 CB PHE A 26 2.196 -0.775 -4.026 1.00 -0.10 C ATOM 413 CG PHE A 26 0.899 -1.332 -3.469 1.00 -0.10 C ATOM 414 CD1 PHE A 26 -0.302 -0.633 -3.671 1.00 -0.15 C ATOM 415 CD2 PHE A 26 0.894 -2.520 -2.715 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -1.486 -1.064 -3.057 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -0.307 -2.992 -2.156 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.490 -2.245 -2.295 1.00 -0.15 C ATOM 0 H PHE A 26 2.751 -0.296 -1.094 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.766 0.618 -3.659 1.00 0.04 H new ATOM 0 HB2 PHE A 26 1.986 -0.283 -4.976 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.870 -1.605 -4.239 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 -0.313 0.242 -4.304 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 1.812 -3.069 -2.566 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -2.394 -0.490 -3.169 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -0.321 -3.929 -1.619 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.400 -2.578 -1.817 1.00 -0.15 H new ATOM 428 N PRO A 27 1.946 2.466 -3.509 1.00 -0.23 N ATOM 429 CA PRO A 27 1.111 3.618 -3.224 1.00 0.04 C ATOM 430 C PRO A 27 -0.351 3.306 -3.556 1.00 0.53 C ATOM 431 O PRO A 27 -0.633 2.661 -4.563 1.00 -0.50 O ATOM 432 CB PRO A 27 1.658 4.737 -4.114 1.00 -0.12 C ATOM 433 CG PRO A 27 2.177 3.979 -5.336 1.00 -0.12 C ATOM 434 CD PRO A 27 2.710 2.679 -4.731 1.00 -0.01 C ATOM 0 HA PRO A 27 1.134 3.900 -2.171 1.00 0.04 H new ATOM 0 HB2 PRO A 27 0.883 5.455 -4.383 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.452 5.296 -3.618 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.385 3.792 -6.062 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 2.959 4.534 -5.854 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.583 1.845 -5.422 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.776 2.756 -4.517 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.278 3.784 -2.721 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.713 3.756 -2.976 1.00 0.04 C ATOM 444 C ALA A 28 -3.265 5.164 -2.767 1.00 0.62 C ATOM 445 O ALA A 28 -2.610 5.985 -2.128 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.387 2.749 -2.044 1.00 -0.10 C ATOM 0 H ALA A 28 -1.040 4.212 -1.826 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.915 3.442 -4.000 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.459 2.733 -2.240 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -2.971 1.757 -2.219 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.212 3.038 -1.008 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.445 5.451 -3.332 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.023 6.789 -3.372 1.00 0.04 C ATOM 454 C ILE A 29 -6.453 6.750 -2.830 1.00 0.62 C ATOM 455 O ILE A 29 -7.193 5.810 -3.108 1.00 -0.50 O ATOM 456 CB ILE A 29 -4.957 7.342 -4.811 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.487 7.495 -5.247 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.675 8.693 -4.935 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.325 7.955 -6.700 1.00 -0.09 C ATOM 0 H ILE A 29 -5.029 4.745 -3.780 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.451 7.464 -2.736 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.465 6.631 -5.462 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -2.994 8.212 -4.590 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -2.977 6.541 -5.117 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.606 9.049 -5.963 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.723 8.574 -4.662 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.206 9.417 -4.268 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.265 8.041 -6.938 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.788 7.227 -7.366 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.806 8.924 -6.831 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.833 7.787 -2.070 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.188 8.000 -1.581 1.00 0.04 C ATOM 473 C ILE A 30 -8.807 9.150 -2.375 1.00 0.62 C ATOM 474 O ILE A 30 -8.291 10.264 -2.345 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.193 8.301 -0.068 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.484 7.191 0.732 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.644 8.469 0.417 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.352 7.531 2.221 1.00 -0.09 C ATOM 0 H ILE A 30 -6.183 8.516 -1.775 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.778 7.095 -1.723 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.643 9.227 0.100 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -8.039 6.259 0.624 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.492 7.022 0.312 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.648 8.682 1.486 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.114 9.294 -0.119 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.200 7.550 0.228 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.846 6.715 2.737 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.773 8.447 2.335 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.343 7.672 2.651 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.928 8.869 -3.049 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.804 9.847 -3.682 1.00 0.04 C ATOM 492 C TYR A 31 -11.981 10.139 -2.747 1.00 0.62 C ATOM 493 O TYR A 31 -12.253 9.381 -1.815 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.316 9.295 -5.020 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.268 9.185 -6.111 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.300 8.162 -6.071 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.267 10.103 -7.179 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.305 8.096 -7.062 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.287 10.019 -8.182 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.295 9.025 -8.116 1.00 0.46 C ATOM 501 OH TYR A 31 -7.318 8.970 -9.066 1.00 -0.53 O ATOM 0 H TYR A 31 -10.259 7.912 -3.170 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.254 10.769 -3.872 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.745 8.308 -4.848 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.123 9.936 -5.375 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.322 7.428 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.022 10.874 -7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.546 7.329 -7.013 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.296 10.719 -9.005 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.460 9.683 -9.723 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.694 11.240 -3.003 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.867 11.601 -2.227 1.00 0.04 C ATOM 513 C GLY A 32 -14.510 12.872 -2.770 1.00 0.62 C ATOM 514 O GLY A 32 -13.820 13.750 -3.285 1.00 -0.50 O ATOM 0 H GLY A 32 -12.470 11.897 -3.750 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.589 10.785 -2.251 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.587 11.748 -1.184 1.00 0.04 H new ATOM 518 N GLY A 33 -15.838 12.972 -2.631 1.00 -0.46 N ATOM 519 CA GLY A 33 -16.608 14.146 -3.012 1.00 0.04 C ATOM 520 C GLY A 33 -16.463 15.230 -1.947 1.00 0.62 C ATOM 521 O GLY A 33 -17.414 15.523 -1.225 1.00 -0.50 O ATOM 0 H GLY A 33 -16.410 12.222 -2.243 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -16.262 14.522 -3.975 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -17.658 13.880 -3.132 1.00 0.04 H new ATOM 525 N LYS A 34 -15.259 15.802 -1.845 1.00 -0.46 N ATOM 526 CA LYS A 34 -14.902 16.791 -0.840 1.00 0.04 C ATOM 527 C LYS A 34 -13.669 17.572 -1.293 1.00 0.62 C ATOM 528 O LYS A 34 -13.669 18.799 -1.238 1.00 -0.50 O ATOM 529 CB LYS A 34 -14.657 16.095 0.509 1.00 -0.10 C ATOM 530 CG LYS A 34 -14.299 17.105 1.610 1.00 -0.16 C ATOM 531 CD LYS A 34 -14.074 16.441 2.976 1.00 -0.18 C ATOM 532 CE LYS A 34 -15.297 15.697 3.528 1.00 -0.04 C ATOM 533 NZ LYS A 34 -16.495 16.552 3.573 1.00 -0.14 N ATOM 0 H LYS A 34 -14.491 15.580 -2.478 1.00 -0.46 H new ATOM 0 HA LYS A 34 -15.722 17.498 -0.715 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -15.549 15.540 0.800 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -13.850 15.370 0.404 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -13.398 17.646 1.321 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -15.099 17.841 1.696 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -13.244 15.739 2.893 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -13.775 17.205 3.693 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -15.499 14.824 2.908 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -15.076 15.332 4.531 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -17.273 16.035 4.030 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -16.286 17.414 4.116 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -16.773 16.811 2.605 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.615 16.855 -1.700 1.00 -0.46 N ATOM 548 CA GLU A 35 -11.310 17.432 -1.984 1.00 0.04 C ATOM 549 C GLU A 35 -10.609 16.629 -3.081 1.00 0.62 C ATOM 550 O GLU A 35 -11.086 15.570 -3.488 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.479 17.450 -0.687 1.00 -0.18 C ATOM 552 CG GLU A 35 -9.845 18.822 -0.440 1.00 -0.40 C ATOM 553 CD GLU A 35 -9.077 18.836 0.877 1.00 0.71 C ATOM 554 OE1 GLU A 35 -9.753 18.774 1.927 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -7.831 18.900 0.812 1.00 -0.72 O ATOM 0 H GLU A 35 -12.652 15.845 -1.841 1.00 -0.46 H new ATOM 0 HA GLU A 35 -11.423 18.455 -2.344 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -11.116 17.186 0.157 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -9.697 16.693 -0.745 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -9.172 19.069 -1.261 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -10.621 19.588 -0.422 1.00 -0.40 H new ATOM 562 N ALA A 36 -9.461 17.138 -3.542 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.604 16.452 -4.497 1.00 0.04 C ATOM 564 C ALA A 36 -8.099 15.137 -3.889 1.00 0.62 C ATOM 565 O ALA A 36 -7.920 15.062 -2.673 1.00 -0.50 O ATOM 566 CB ALA A 36 -7.431 17.364 -4.864 1.00 -0.10 C ATOM 0 H ALA A 36 -9.103 18.049 -3.255 1.00 -0.46 H new ATOM 0 HA ALA A 36 -9.167 16.218 -5.401 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -6.785 16.856 -5.580 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -7.811 18.284 -5.308 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.861 17.603 -3.966 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.871 14.095 -4.703 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.411 12.806 -4.214 1.00 0.04 C ATOM 574 C PRO A 37 -5.995 12.916 -3.642 1.00 0.53 C ATOM 575 O PRO A 37 -5.205 13.736 -4.109 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.474 11.868 -5.420 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.309 12.809 -6.612 1.00 -0.12 C ATOM 578 CD PRO A 37 -8.035 14.068 -6.146 1.00 -0.01 C ATOM 0 HA PRO A 37 -8.027 12.431 -3.397 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -6.683 11.119 -5.388 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.421 11.330 -5.461 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.259 13.004 -6.832 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.753 12.397 -7.518 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.610 14.960 -6.607 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -9.089 14.038 -6.421 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.689 12.097 -2.627 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.403 12.098 -1.937 1.00 0.04 C ATOM 588 C LEU A 38 -3.873 10.676 -1.758 1.00 0.62 C ATOM 589 O LEU A 38 -4.647 9.721 -1.747 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.448 12.922 -0.635 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.434 12.546 0.493 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -6.908 12.752 0.124 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -5.217 11.148 1.080 1.00 -0.11 C ATOM 0 H LEU A 38 -6.343 11.405 -2.260 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.676 12.610 -2.568 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.446 12.903 -0.207 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.656 13.955 -0.914 1.00 -0.06 H new ATOM 0 HG LEU A 38 -5.192 13.261 1.279 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -7.537 12.466 0.967 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -7.079 13.801 -0.118 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -7.156 12.136 -0.740 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -5.951 10.965 1.865 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -5.332 10.401 0.294 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -4.213 11.081 1.499 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.542 10.547 -1.674 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.827 9.278 -1.718 1.00 0.04 C ATOM 607 C ALA A 39 -1.356 8.844 -0.328 1.00 0.62 C ATOM 608 O ALA A 39 -1.159 9.680 0.553 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.645 9.405 -2.680 1.00 -0.10 C ATOM 0 H ALA A 39 -1.921 11.350 -1.571 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.508 8.505 -2.075 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.104 8.459 -2.719 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.011 9.655 -3.676 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 0.024 10.192 -2.332 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.175 7.529 -0.154 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.747 6.879 1.081 1.00 0.04 C ATOM 617 C ILE A 40 0.061 5.621 0.742 1.00 0.62 C ATOM 618 O ILE A 40 -0.094 5.073 -0.348 1.00 -0.50 O ATOM 619 CB ILE A 40 -1.972 6.518 1.946 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.023 5.729 1.139 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.592 7.779 2.565 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.101 5.108 2.028 1.00 -0.09 C ATOM 0 H ILE A 40 -1.332 6.862 -0.909 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.118 7.563 1.650 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.627 5.873 2.754 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.493 6.394 0.414 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.525 4.941 0.573 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.454 7.501 3.171 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -1.853 8.277 3.193 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -2.909 8.456 1.771 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.815 4.564 1.409 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.637 4.421 2.736 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.620 5.895 2.574 1.00 -0.09 H new ATOM 634 N GLU A 41 0.901 5.153 1.677 1.00 -0.46 N ATOM 635 CA GLU A 41 1.593 3.871 1.555 1.00 0.04 C ATOM 636 C GLU A 41 0.702 2.751 2.085 1.00 0.62 C ATOM 637 O GLU A 41 0.206 2.844 3.207 1.00 -0.50 O ATOM 638 CB GLU A 41 2.901 3.857 2.360 1.00 -0.18 C ATOM 639 CG GLU A 41 4.083 4.541 1.669 1.00 -0.40 C ATOM 640 CD GLU A 41 4.420 3.903 0.323 1.00 0.71 C ATOM 641 OE1 GLU A 41 4.873 2.739 0.344 1.00 -0.72 O ATOM 642 OE2 GLU A 41 4.213 4.591 -0.700 1.00 -0.72 O ATOM 0 H GLU A 41 1.117 5.656 2.538 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.820 3.723 0.499 1.00 0.04 H new ATOM 0 HB2 GLU A 41 2.727 4.344 3.319 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 3.170 2.822 2.572 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 3.852 5.596 1.520 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.957 4.494 2.319 1.00 -0.40 H new ATOM 649 N LEU A 42 0.567 1.678 1.295 1.00 -0.46 N ATOM 650 CA LEU A 42 -0.008 0.404 1.706 1.00 0.04 C ATOM 651 C LEU A 42 1.056 -0.682 1.537 1.00 0.62 C ATOM 652 O LEU A 42 1.754 -0.711 0.525 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.237 0.077 0.840 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.563 0.281 1.587 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -2.816 1.744 1.963 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.712 -0.225 0.713 1.00 -0.11 C ATOM 0 H LEU A 42 0.867 1.680 0.320 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.326 0.456 2.747 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.226 0.706 -0.050 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.172 -0.957 0.501 1.00 -0.06 H new ATOM 0 HG LEU A 42 -2.503 -0.282 2.518 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -3.768 1.825 2.488 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.013 2.098 2.610 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -2.848 2.352 1.059 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -4.657 -0.083 1.237 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.729 0.332 -0.224 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.569 -1.285 0.502 1.00 -0.11 H new ATOM 668 N ASP A 43 1.157 -1.593 2.514 1.00 -0.46 N ATOM 669 CA ASP A 43 2.004 -2.778 2.419 1.00 0.04 C ATOM 670 C ASP A 43 1.426 -3.765 1.401 1.00 0.62 C ATOM 671 O ASP A 43 0.351 -3.530 0.858 1.00 -0.50 O ATOM 672 CB ASP A 43 2.155 -3.423 3.802 1.00 -0.40 C ATOM 673 CG ASP A 43 2.908 -2.514 4.769 1.00 0.71 C ATOM 674 OD1 ASP A 43 4.158 -2.545 4.722 1.00 -0.72 O ATOM 675 OD2 ASP A 43 2.224 -1.806 5.539 1.00 -0.72 O ATOM 0 H ASP A 43 0.648 -1.523 3.395 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.995 -2.486 2.071 1.00 0.04 H new ATOM 0 HB2 ASP A 43 1.169 -3.649 4.208 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 2.685 -4.371 3.706 1.00 -0.40 H new ATOM 680 N HIS A 44 2.140 -4.869 1.147 1.00 -0.46 N ATOM 681 CA HIS A 44 1.707 -5.942 0.257 1.00 0.04 C ATOM 682 C HIS A 44 1.727 -7.264 1.032 1.00 0.62 C ATOM 683 O HIS A 44 2.466 -8.185 0.687 1.00 -0.50 O ATOM 684 CB HIS A 44 2.595 -5.950 -0.999 1.00 -0.10 C ATOM 685 CG HIS A 44 2.069 -6.816 -2.121 1.00 -0.03 C ATOM 686 ND1 HIS A 44 1.824 -8.169 -2.054 1.00 -0.15 N ATOM 687 CD2 HIS A 44 1.776 -6.410 -3.397 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.382 -8.564 -3.259 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.336 -7.529 -4.113 1.00 -0.50 N ATOM 0 H HIS A 44 3.054 -5.040 1.566 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.684 -5.789 -0.088 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.701 -4.928 -1.362 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.592 -6.296 -0.724 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 1.955 -8.764 -1.236 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 1.868 -5.405 -3.782 1.00 0.20 H new ATOM 0 HE1 HIS A 44 1.102 -9.577 -3.507 1.00 0.24 H new ATOM 697 N ASP A 45 0.911 -7.348 2.090 1.00 -0.46 N ATOM 698 CA ASP A 45 0.799 -8.529 2.938 1.00 0.04 C ATOM 699 C ASP A 45 -0.492 -8.454 3.751 1.00 0.62 C ATOM 700 O ASP A 45 -1.436 -9.196 3.488 1.00 -0.50 O ATOM 701 CB ASP A 45 2.031 -8.650 3.847 1.00 -0.40 C ATOM 702 CG ASP A 45 1.858 -9.769 4.870 1.00 0.71 C ATOM 703 OD1 ASP A 45 1.819 -10.938 4.431 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.746 -9.430 6.068 1.00 -0.72 O ATOM 0 H ASP A 45 0.303 -6.582 2.381 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.760 -9.423 2.316 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.916 -8.843 3.240 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 2.199 -7.705 4.364 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.541 -7.552 4.737 1.00 -0.46 N ATOM 710 CA LYS A 46 -1.701 -7.377 5.600 1.00 0.04 C ATOM 711 C LYS A 46 -2.954 -7.089 4.764 1.00 0.62 C ATOM 712 O LYS A 46 -4.007 -7.680 4.992 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.404 -6.290 6.645 1.00 -0.10 C ATOM 714 CG LYS A 46 -1.328 -4.880 6.045 1.00 -0.16 C ATOM 715 CD LYS A 46 -0.633 -3.895 6.988 1.00 -0.18 C ATOM 716 CE LYS A 46 -0.861 -2.470 6.477 1.00 -0.04 C ATOM 717 NZ LYS A 46 0.014 -1.498 7.151 1.00 -0.14 N ATOM 0 H LYS A 46 0.231 -6.922 4.955 1.00 -0.46 H new ATOM 0 HA LYS A 46 -1.906 -8.299 6.144 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -2.179 -6.310 7.411 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -0.460 -6.519 7.140 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -0.790 -4.917 5.098 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -2.335 -4.524 5.826 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 -1.027 -4.000 7.999 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 0.434 -4.111 7.038 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -0.681 -2.437 5.403 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -1.903 -2.190 6.634 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -0.424 -0.555 7.118 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 0.150 -1.782 8.142 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 0.936 -1.469 6.670 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.816 -6.214 3.762 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.893 -5.817 2.872 1.00 0.04 C ATOM 733 C VAL A 47 -4.342 -6.968 1.968 1.00 0.62 C ATOM 734 O VAL A 47 -5.516 -7.025 1.615 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.491 -4.583 2.052 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -3.115 -3.416 2.968 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -2.330 -4.868 1.096 1.00 -0.09 C ATOM 0 H VAL A 47 -1.930 -5.757 3.549 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.750 -5.550 3.490 1.00 0.04 H new ATOM 0 HB VAL A 47 -4.363 -4.316 1.455 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -2.834 -2.554 2.363 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -3.968 -3.156 3.595 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.275 -3.705 3.599 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -2.086 -3.963 0.540 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -1.459 -5.190 1.667 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -2.618 -5.655 0.399 1.00 -0.09 H new ATOM 747 N MET A 48 -3.430 -7.876 1.590 1.00 -0.46 N ATOM 748 CA MET A 48 -3.741 -9.026 0.750 1.00 0.04 C ATOM 749 C MET A 48 -4.743 -9.931 1.471 1.00 0.62 C ATOM 750 O MET A 48 -5.757 -10.319 0.892 1.00 -0.50 O ATOM 751 CB MET A 48 -2.444 -9.767 0.385 1.00 -0.15 C ATOM 752 CG MET A 48 -2.668 -11.017 -0.473 1.00 -0.05 C ATOM 753 SD MET A 48 -3.557 -10.800 -2.038 1.00 0.74 S ATOM 754 CE MET A 48 -2.492 -9.609 -2.885 1.00 -0.13 C ATOM 0 H MET A 48 -2.449 -7.826 1.865 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.203 -8.699 -0.181 1.00 0.04 H new ATOM 0 HB2 MET A 48 -1.784 -9.084 -0.150 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -1.930 -10.054 1.302 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -1.694 -11.453 -0.696 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -3.214 -11.745 0.127 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -2.902 -9.392 -3.871 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -2.440 -8.689 -2.303 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -1.491 -10.028 -2.992 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.459 -10.233 2.744 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.343 -11.006 3.606 1.00 0.04 C ATOM 766 C ASN A 49 -6.698 -10.311 3.755 1.00 0.62 C ATOM 767 O ASN A 49 -7.734 -10.951 3.589 1.00 -0.50 O ATOM 768 CB ASN A 49 -4.694 -11.225 4.979 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.512 -12.191 4.912 1.00 0.68 C ATOM 770 OD1 ASN A 49 -3.680 -13.390 5.120 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -2.310 -11.680 4.633 1.00 -0.87 N ATOM 0 H ASN A 49 -3.597 -9.941 3.204 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.510 -11.979 3.143 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.356 -10.268 5.376 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.439 -11.613 5.673 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -1.494 -12.291 4.587 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -2.208 -10.679 4.466 1.00 -0.87 H new ATOM 778 N MET A 50 -6.691 -9.008 4.064 1.00 -0.46 N ATOM 779 CA MET A 50 -7.902 -8.220 4.267 1.00 0.04 C ATOM 780 C MET A 50 -8.796 -8.232 3.023 1.00 0.62 C ATOM 781 O MET A 50 -9.997 -8.469 3.137 1.00 -0.50 O ATOM 782 CB MET A 50 -7.533 -6.780 4.648 1.00 -0.15 C ATOM 783 CG MET A 50 -6.902 -6.688 6.043 1.00 -0.05 C ATOM 784 SD MET A 50 -6.007 -5.141 6.346 1.00 0.74 S ATOM 785 CE MET A 50 -5.411 -5.428 8.031 1.00 -0.13 C ATOM 0 H MET A 50 -5.832 -8.470 4.180 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.467 -8.673 5.082 1.00 0.04 H new ATOM 0 HB2 MET A 50 -6.838 -6.379 3.911 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.427 -6.158 4.615 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -7.686 -6.795 6.793 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.216 -7.525 6.176 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -4.838 -4.563 8.366 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -6.261 -5.581 8.696 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -4.775 -6.313 8.046 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.224 -7.954 1.843 1.00 -0.46 N ATOM 796 CA GLN A 51 -9.003 -7.752 0.631 1.00 0.04 C ATOM 797 C GLN A 51 -9.565 -9.060 0.074 1.00 0.62 C ATOM 798 O GLN A 51 -10.762 -9.129 -0.201 1.00 -0.50 O ATOM 799 CB GLN A 51 -8.247 -6.874 -0.384 1.00 -0.10 C ATOM 800 CG GLN A 51 -7.059 -7.543 -1.094 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.447 -8.378 -2.312 1.00 0.68 C ATOM 802 OE1 GLN A 51 -8.601 -8.400 -2.729 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -6.466 -9.073 -2.891 1.00 -0.87 N ATOM 0 H GLN A 51 -7.217 -7.865 1.711 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.893 -7.178 0.888 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -8.955 -6.536 -1.141 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.884 -5.986 0.132 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -6.355 -6.771 -1.406 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.537 -8.181 -0.381 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -5.519 -9.029 -2.515 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -6.663 -9.648 -3.710 1.00 -0.87 H new ATOM 812 N ALA A 52 -8.715 -10.087 -0.074 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.059 -11.403 -0.607 1.00 0.04 C ATOM 814 C ALA A 52 -9.535 -11.348 -2.068 1.00 0.62 C ATOM 815 O ALA A 52 -8.790 -11.737 -2.967 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.047 -12.129 0.317 1.00 -0.10 C ATOM 0 H ALA A 52 -7.731 -10.015 0.186 1.00 -0.46 H new ATOM 0 HA ALA A 52 -8.144 -11.994 -0.628 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -10.287 -13.106 -0.103 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.597 -12.257 1.302 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -10.959 -11.540 0.409 1.00 -0.10 H new ATOM 822 N LYS A 53 -10.769 -10.880 -2.303 1.00 -0.46 N ATOM 823 CA LYS A 53 -11.366 -10.738 -3.623 1.00 0.04 C ATOM 824 C LYS A 53 -12.253 -9.480 -3.644 1.00 0.62 C ATOM 825 O LYS A 53 -11.732 -8.376 -3.780 1.00 -0.50 O ATOM 826 CB LYS A 53 -12.109 -12.035 -3.996 1.00 -0.10 C ATOM 827 CG LYS A 53 -12.645 -12.009 -5.437 1.00 -0.16 C ATOM 828 CD LYS A 53 -13.866 -12.923 -5.579 1.00 -0.18 C ATOM 829 CE LYS A 53 -14.407 -12.878 -7.012 1.00 -0.04 C ATOM 830 NZ LYS A 53 -15.656 -13.648 -7.144 1.00 -0.14 N ATOM 0 H LYS A 53 -11.392 -10.583 -1.552 1.00 -0.46 H new ATOM 0 HA LYS A 53 -10.604 -10.594 -4.389 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -11.435 -12.884 -3.877 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -12.938 -12.187 -3.305 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -12.915 -10.989 -5.711 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -11.864 -12.329 -6.126 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -13.594 -13.946 -5.319 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -14.643 -12.612 -4.881 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -14.585 -11.842 -7.302 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -13.659 -13.277 -7.697 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -15.994 -13.596 -8.126 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -15.480 -14.641 -6.891 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -16.377 -13.251 -6.508 1.00 -0.14 H new ATOM 844 N ALA A 54 -13.581 -9.643 -3.559 1.00 -0.46 N ATOM 845 CA ALA A 54 -14.570 -8.581 -3.728 1.00 0.04 C ATOM 846 C ALA A 54 -15.239 -8.218 -2.399 1.00 0.62 C ATOM 847 O ALA A 54 -15.622 -7.066 -2.205 1.00 -0.50 O ATOM 848 CB ALA A 54 -15.616 -9.029 -4.751 1.00 -0.10 C ATOM 0 H ALA A 54 -14.005 -10.550 -3.364 1.00 -0.46 H new ATOM 0 HA ALA A 54 -14.063 -7.686 -4.088 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -16.358 -8.241 -4.882 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -15.129 -9.231 -5.705 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.108 -9.935 -4.396 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.364 -9.208 -1.503 1.00 -0.46 N ATOM 855 CA GLU A 55 -15.942 -9.123 -0.163 1.00 0.04 C ATOM 856 C GLU A 55 -15.535 -7.848 0.584 1.00 0.62 C ATOM 857 O GLU A 55 -16.354 -7.253 1.281 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.512 -10.382 0.602 1.00 -0.18 C ATOM 859 CG GLU A 55 -16.169 -10.500 1.981 1.00 -0.40 C ATOM 860 CD GLU A 55 -15.803 -11.826 2.634 1.00 0.71 C ATOM 861 OE1 GLU A 55 -14.643 -11.934 3.088 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -16.679 -12.718 2.646 1.00 -0.72 O ATOM 0 H GLU A 55 -15.040 -10.152 -1.715 1.00 -0.46 H new ATOM 0 HA GLU A 55 -17.028 -9.069 -0.243 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -15.762 -11.263 0.010 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.429 -10.375 0.722 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.847 -9.674 2.616 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -17.252 -10.423 1.882 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.275 -7.431 0.407 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.696 -6.194 0.910 1.00 0.04 C ATOM 871 C PHE A 56 -14.667 -5.012 0.845 1.00 0.62 C ATOM 872 O PHE A 56 -14.972 -4.405 1.871 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.440 -5.904 0.083 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.529 -4.812 0.608 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.885 -4.978 1.849 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -11.113 -3.781 -0.256 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.757 -4.203 2.166 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -10.006 -2.983 0.076 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.305 -3.218 1.272 1.00 -0.15 C ATOM 0 H PHE A 56 -13.600 -7.984 -0.122 1.00 -0.46 H new ATOM 0 HA PHE A 56 -13.455 -6.321 1.965 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.861 -6.824 0.005 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.750 -5.635 -0.927 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -11.259 -5.702 2.558 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.647 -3.603 -1.178 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -9.236 -4.365 3.098 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.693 -2.190 -0.587 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.421 -2.642 1.503 1.00 -0.15 H new ATOM 889 N TYR A 57 -15.158 -4.699 -0.360 1.00 -0.46 N ATOM 890 CA TYR A 57 -16.024 -3.555 -0.618 1.00 0.04 C ATOM 891 C TYR A 57 -17.513 -3.908 -0.532 1.00 0.62 C ATOM 892 O TYR A 57 -18.350 -3.133 -0.994 1.00 -0.50 O ATOM 893 CB TYR A 57 -15.646 -2.915 -1.962 1.00 -0.10 C ATOM 894 CG TYR A 57 -15.582 -3.844 -3.161 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -16.744 -4.133 -3.902 1.00 0.00 C ATOM 896 CD2 TYR A 57 -14.337 -4.331 -3.602 1.00 0.00 C ATOM 897 CE1 TYR A 57 -16.660 -4.905 -5.073 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -14.254 -5.094 -4.779 1.00 -0.26 C ATOM 899 CZ TYR A 57 -15.413 -5.376 -5.518 1.00 0.46 C ATOM 900 OH TYR A 57 -15.325 -6.103 -6.670 1.00 -0.53 O ATOM 0 H TYR A 57 -14.957 -5.248 -1.196 1.00 -0.46 H new ATOM 0 HA TYR A 57 -15.863 -2.820 0.171 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -16.367 -2.127 -2.179 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -14.674 -2.435 -1.850 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -17.702 -3.761 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.443 -4.118 -3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.555 -5.137 -5.632 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -13.297 -5.464 -5.115 1.00 -0.26 H new ATOM 0 HH TYR A 57 -14.390 -6.348 -6.831 1.00 -0.53 H new ATOM 910 N SER A 58 -17.855 -5.049 0.085 1.00 -0.46 N ATOM 911 CA SER A 58 -19.230 -5.477 0.302 1.00 0.04 C ATOM 912 C SER A 58 -19.709 -5.175 1.729 1.00 0.62 C ATOM 913 O SER A 58 -20.886 -5.388 2.014 1.00 -0.50 O ATOM 914 CB SER A 58 -19.358 -6.974 -0.010 1.00 0.02 C ATOM 915 OG SER A 58 -18.823 -7.256 -1.287 1.00 -0.55 O ATOM 0 H SER A 58 -17.166 -5.706 0.451 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.871 -4.910 -0.373 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.834 -7.557 0.748 1.00 0.02 H new ATOM 0 HB3 SER A 58 -20.406 -7.272 0.027 1.00 0.02 H new ATOM 0 HG SER A 58 -18.909 -8.214 -1.473 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.826 -4.696 2.621 1.00 -0.46 N ATOM 922 CA GLU A 59 -19.137 -4.480 4.033 1.00 0.04 C ATOM 923 C GLU A 59 -18.518 -3.198 4.614 1.00 0.62 C ATOM 924 O GLU A 59 -18.694 -2.946 5.803 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.712 -5.717 4.837 1.00 -0.18 C ATOM 926 CG GLU A 59 -17.199 -5.959 4.777 1.00 -0.40 C ATOM 927 CD GLU A 59 -16.801 -7.168 5.616 1.00 0.71 C ATOM 928 OE1 GLU A 59 -16.804 -7.023 6.858 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -16.501 -8.215 5.001 1.00 -0.72 O ATOM 0 H GLU A 59 -17.868 -4.447 2.374 1.00 -0.46 H new ATOM 0 HA GLU A 59 -20.215 -4.335 4.111 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -19.017 -5.594 5.876 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -19.233 -6.594 4.453 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -16.894 -6.115 3.742 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -16.672 -5.075 5.135 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.818 -2.394 3.798 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.163 -1.141 4.186 1.00 0.04 C ATOM 938 C VAL A 60 -15.868 -1.391 4.975 1.00 0.62 C ATOM 939 O VAL A 60 -15.724 -2.406 5.656 1.00 -0.50 O ATOM 940 CB VAL A 60 -18.143 -0.154 4.872 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.881 0.057 6.372 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -18.099 1.223 4.200 1.00 -0.09 C ATOM 0 H VAL A 60 -17.689 -2.611 2.810 1.00 -0.46 H new ATOM 0 HA VAL A 60 -16.851 -0.637 3.271 1.00 0.04 H new ATOM 0 HB VAL A 60 -19.120 -0.623 4.760 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -18.610 0.761 6.773 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -17.970 -0.895 6.894 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -16.876 0.456 6.513 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -18.796 1.895 4.701 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -17.090 1.629 4.269 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -18.380 1.125 3.151 1.00 -0.09 H new ATOM 952 N LEU A 61 -14.921 -0.453 4.868 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.607 -0.526 5.497 1.00 0.04 C ATOM 954 C LEU A 61 -13.164 0.866 5.954 1.00 0.62 C ATOM 955 O LEU A 61 -13.801 1.865 5.624 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.594 -1.196 4.558 1.00 -0.06 C ATOM 957 CG LEU A 61 -12.637 -0.675 3.116 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -11.215 -0.474 2.595 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -13.380 -1.652 2.195 1.00 -0.11 C ATOM 0 H LEU A 61 -15.056 0.400 4.325 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.665 -1.152 6.388 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.591 -1.047 4.957 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -12.777 -2.270 4.550 1.00 -0.06 H new ATOM 0 HG LEU A 61 -13.171 0.275 3.117 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -11.252 -0.104 1.570 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -10.696 0.249 3.224 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -10.681 -1.424 2.619 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -13.394 -1.256 1.180 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -12.871 -2.616 2.201 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -14.403 -1.779 2.549 1.00 -0.11 H new ATOM 971 N THR A 62 -12.090 0.924 6.752 1.00 -0.46 N ATOM 972 CA THR A 62 -11.632 2.142 7.406 1.00 0.04 C ATOM 973 C THR A 62 -10.107 2.188 7.388 1.00 0.62 C ATOM 974 O THR A 62 -9.454 1.309 7.948 1.00 -0.50 O ATOM 975 CB THR A 62 -12.185 2.183 8.838 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.597 2.140 8.802 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.759 3.456 9.575 1.00 -0.19 C ATOM 0 H THR A 62 -11.511 0.110 6.960 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.998 3.020 6.874 1.00 0.04 H new ATOM 0 HB THR A 62 -11.783 1.320 9.369 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.948 2.165 9.716 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -12.170 3.447 10.584 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.671 3.500 9.627 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -12.132 4.329 9.039 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.542 3.221 6.751 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.107 3.402 6.635 1.00 0.04 C ATOM 987 C ILE A 63 -7.620 4.281 7.783 1.00 0.62 C ATOM 988 O ILE A 63 -8.037 5.432 7.897 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.720 4.008 5.272 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.401 3.283 4.099 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.193 3.936 5.109 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.109 3.968 2.764 1.00 -0.09 C ATOM 0 H ILE A 63 -10.083 3.958 6.299 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.624 2.427 6.695 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.060 5.043 5.254 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -8.056 2.250 4.061 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.478 3.254 4.265 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -5.909 4.363 4.147 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.715 4.499 5.911 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.871 2.896 5.154 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.607 3.426 1.960 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.477 4.994 2.793 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.034 3.974 2.585 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.714 3.744 8.607 1.00 -0.46 N ATOM 1005 CA VAL A 64 -6.022 4.495 9.641 1.00 0.04 C ATOM 1006 C VAL A 64 -4.806 5.146 8.980 1.00 0.62 C ATOM 1007 O VAL A 64 -3.730 4.551 8.965 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.634 3.561 10.804 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.949 4.346 11.931 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.867 2.853 11.375 1.00 -0.09 C ATOM 0 H VAL A 64 -6.442 2.762 8.568 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.656 5.269 10.073 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.943 2.819 10.405 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.685 3.665 12.740 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -4.046 4.821 11.547 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.629 5.110 12.307 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -6.565 2.200 12.194 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.574 3.595 11.745 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -7.340 2.259 10.593 1.00 -0.09 H new ATOM 1020 N VAL A 65 -4.978 6.352 8.420 1.00 -0.46 N ATOM 1021 CA VAL A 65 -3.902 7.087 7.755 1.00 0.04 C ATOM 1022 C VAL A 65 -3.072 7.840 8.799 1.00 0.62 C ATOM 1023 O VAL A 65 -3.042 9.068 8.816 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.441 7.984 6.618 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -5.084 7.128 5.523 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.475 9.036 7.039 1.00 -0.09 C ATOM 0 H VAL A 65 -5.872 6.843 8.418 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.232 6.383 7.261 1.00 0.04 H new ATOM 0 HB VAL A 65 -3.559 8.521 6.269 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -5.459 7.774 4.729 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -4.341 6.443 5.113 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -5.910 6.556 5.946 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -5.786 9.610 6.166 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -6.342 8.540 7.475 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -5.032 9.707 7.775 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.411 7.083 9.684 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.754 7.583 10.884 1.00 0.04 C ATOM 1038 C ASP A 66 -2.772 8.309 11.771 1.00 0.62 C ATOM 1039 O ASP A 66 -2.911 9.531 11.714 1.00 -0.50 O ATOM 1040 CB ASP A 66 -0.523 8.438 10.535 1.00 -0.40 C ATOM 1041 CG ASP A 66 0.217 8.936 11.776 1.00 0.71 C ATOM 1042 OD1 ASP A 66 0.169 8.224 12.804 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 0.825 10.022 11.672 1.00 -0.72 O ATOM 0 H ASP A 66 -2.320 6.073 9.575 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.368 6.743 11.462 1.00 0.04 H new ATOM 0 HB2 ASP A 66 0.160 7.852 9.920 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -0.837 9.293 9.936 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.503 7.537 12.586 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.469 8.054 13.542 1.00 0.04 C ATOM 1050 C GLY A 67 -5.858 8.202 12.921 1.00 0.62 C ATOM 1051 O GLY A 67 -6.807 7.579 13.392 1.00 -0.50 O ATOM 0 H GLY A 67 -3.432 6.519 12.593 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.524 7.385 14.401 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.131 9.022 13.913 1.00 0.04 H new ATOM 1055 N LYS A 68 -5.983 9.046 11.890 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.267 9.399 11.294 1.00 0.04 C ATOM 1057 C LYS A 68 -7.941 8.186 10.645 1.00 0.62 C ATOM 1058 O LYS A 68 -7.446 7.660 9.649 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.086 10.522 10.267 1.00 -0.10 C ATOM 1060 CG LYS A 68 -6.894 11.884 10.941 1.00 -0.16 C ATOM 1061 CD LYS A 68 -6.718 12.967 9.869 1.00 -0.18 C ATOM 1062 CE LYS A 68 -6.702 14.377 10.469 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -8.019 14.768 11.002 1.00 -0.14 N ATOM 0 H LYS A 68 -5.187 9.504 11.446 1.00 -0.46 H new ATOM 0 HA LYS A 68 -7.919 9.750 12.094 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.223 10.303 9.637 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -7.957 10.560 9.613 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -7.755 12.115 11.568 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -6.021 11.859 11.594 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -5.788 12.793 9.329 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -7.527 12.892 9.143 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -5.961 14.423 11.267 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -6.394 15.092 9.706 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -8.005 15.776 11.258 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -8.749 14.605 10.279 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -8.235 14.200 11.846 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.087 7.781 11.205 1.00 -0.46 N ATOM 1078 CA GLU A 69 -9.926 6.692 10.728 1.00 0.04 C ATOM 1079 C GLU A 69 -10.806 7.176 9.570 1.00 0.62 C ATOM 1080 O GLU A 69 -11.972 7.514 9.772 1.00 -0.50 O ATOM 1081 CB GLU A 69 -10.795 6.191 11.892 1.00 -0.18 C ATOM 1082 CG GLU A 69 -9.961 5.538 12.998 1.00 -0.40 C ATOM 1083 CD GLU A 69 -10.862 4.986 14.096 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -11.312 3.831 13.934 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -11.099 5.735 15.067 1.00 -0.72 O ATOM 0 H GLU A 69 -9.466 8.228 12.040 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.303 5.875 10.363 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.357 7.026 12.309 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.523 5.472 11.516 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.356 4.734 12.578 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.271 6.269 13.420 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.253 7.202 8.353 1.00 -0.46 N ATOM 1093 CA ILE A 70 -10.985 7.599 7.157 1.00 0.04 C ATOM 1094 C ILE A 70 -11.798 6.406 6.651 1.00 0.62 C ATOM 1095 O ILE A 70 -11.239 5.465 6.089 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.024 8.158 6.090 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.363 9.438 6.633 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.797 8.453 4.797 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -8.470 10.143 5.608 1.00 -0.09 C ATOM 0 H ILE A 70 -9.282 6.947 8.175 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.680 8.405 7.394 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.250 7.425 5.865 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -10.140 10.128 6.962 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.767 9.186 7.511 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.113 8.848 4.046 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.251 7.534 4.427 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.577 9.187 4.999 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -8.036 11.037 6.057 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -7.672 9.469 5.297 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -9.066 10.425 4.740 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.122 6.465 6.834 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.051 5.467 6.320 1.00 0.04 C ATOM 1113 C LYS A 71 -14.123 5.540 4.791 1.00 0.62 C ATOM 1114 O LYS A 71 -14.283 6.623 4.225 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.425 5.609 6.995 1.00 -0.10 C ATOM 1116 CG LYS A 71 -16.102 6.973 6.786 1.00 -0.16 C ATOM 1117 CD LYS A 71 -17.518 7.016 7.380 1.00 -0.18 C ATOM 1118 CE LYS A 71 -17.582 6.775 8.893 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -16.745 7.725 9.649 1.00 -0.14 N ATOM 0 H LYS A 71 -13.578 7.218 7.350 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.685 4.471 6.569 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -16.084 4.829 6.615 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -15.309 5.435 8.065 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -15.494 7.753 7.245 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -16.151 7.193 5.720 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -17.961 7.988 7.161 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -18.131 6.266 6.879 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -18.616 6.859 9.228 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -17.258 5.757 9.110 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -16.861 7.555 10.668 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -15.747 7.593 9.387 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -17.036 8.698 9.425 1.00 -0.14 H new ATOM 1133 N VAL A 72 -13.987 4.384 4.128 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.037 4.251 2.678 1.00 0.04 C ATOM 1135 C VAL A 72 -14.862 3.021 2.303 1.00 0.62 C ATOM 1136 O VAL A 72 -14.920 2.051 3.057 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.624 4.185 2.066 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.806 5.445 2.366 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.853 2.949 2.531 1.00 -0.09 C ATOM 0 H VAL A 72 -13.835 3.495 4.605 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.519 5.137 2.265 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.770 4.116 0.988 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.818 5.353 1.915 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.314 6.316 1.952 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.703 5.564 3.445 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.863 2.945 2.074 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.752 2.970 3.616 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.393 2.050 2.234 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.504 3.066 1.132 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.274 1.956 0.594 1.00 0.04 C ATOM 1151 C LYS A 73 -15.386 1.111 -0.321 1.00 0.62 C ATOM 1152 O LYS A 73 -15.450 -0.114 -0.273 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.506 2.498 -0.144 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.577 1.412 -0.297 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.809 1.979 -1.010 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.975 0.989 -0.926 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -22.166 1.497 -1.627 1.00 -0.14 N ATOM 0 H LYS A 73 -15.499 3.888 0.528 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.624 1.313 1.402 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.918 3.346 0.403 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.213 2.866 -1.127 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -18.175 0.572 -0.863 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -18.860 1.029 0.684 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -20.095 2.928 -0.556 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -19.571 2.184 -2.054 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.676 0.035 -1.360 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -21.219 0.801 0.119 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -22.936 0.803 -1.551 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -22.465 2.395 -1.196 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -21.939 1.653 -2.630 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.568 1.787 -1.143 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.676 1.215 -2.147 1.00 0.04 C ATOM 1173 C ALA A 74 -14.463 0.695 -3.352 1.00 0.62 C ATOM 1174 O ALA A 74 -15.549 0.142 -3.196 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.750 0.147 -1.552 1.00 -0.10 C ATOM 0 H ALA A 74 -14.513 2.805 -1.118 1.00 -0.46 H new ATOM 0 HA ALA A 74 -13.028 2.015 -2.505 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.104 -0.251 -2.334 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.138 0.592 -0.768 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.349 -0.660 -1.130 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.920 0.899 -4.557 1.00 -0.46 N ATOM 1182 CA GLN A 75 -14.535 0.480 -5.811 1.00 0.04 C ATOM 1183 C GLN A 75 -13.461 -0.132 -6.707 1.00 0.62 C ATOM 1184 O GLN A 75 -13.389 -1.355 -6.828 1.00 -0.50 O ATOM 1185 CB GLN A 75 -15.236 1.671 -6.486 1.00 -0.10 C ATOM 1186 CG GLN A 75 -16.515 2.122 -5.769 1.00 -0.10 C ATOM 1187 CD GLN A 75 -17.666 1.131 -5.936 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -18.433 1.226 -6.891 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -17.807 0.186 -5.003 1.00 -0.87 N ATOM 0 H GLN A 75 -13.024 1.369 -4.685 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.299 -0.274 -5.622 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -14.542 2.510 -6.534 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -15.482 1.402 -7.513 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -16.305 2.253 -4.707 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -16.820 3.095 -6.156 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -17.151 0.137 -4.223 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -18.571 -0.487 -5.070 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.627 0.711 -7.329 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.586 0.269 -8.242 1.00 0.04 C ATOM 1200 C ASP A 76 -10.354 -0.164 -7.442 1.00 0.62 C ATOM 1201 O ASP A 76 -9.376 0.573 -7.313 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.298 1.368 -9.275 1.00 -0.40 C ATOM 1203 CG ASP A 76 -10.225 0.964 -10.286 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -10.081 -0.255 -10.522 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -9.580 1.890 -10.824 1.00 -0.72 O ATOM 0 H ASP A 76 -12.662 1.723 -7.207 1.00 -0.46 H new ATOM 0 HA ASP A 76 -11.913 -0.604 -8.808 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -12.218 1.611 -9.806 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.980 2.273 -8.757 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.428 -1.386 -6.905 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.315 -2.082 -6.284 1.00 0.04 C ATOM 1212 C VAL A 77 -8.554 -2.823 -7.385 1.00 0.62 C ATOM 1213 O VAL A 77 -9.096 -3.742 -7.999 1.00 -0.50 O ATOM 1214 CB VAL A 77 -9.812 -3.017 -5.160 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -10.282 -2.195 -3.955 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -10.964 -3.957 -5.547 1.00 -0.09 C ATOM 0 H VAL A 77 -11.293 -1.927 -6.894 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.635 -1.380 -5.801 1.00 0.04 H new ATOM 0 HB VAL A 77 -8.948 -3.641 -4.932 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.630 -2.866 -3.170 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -9.454 -1.595 -3.579 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -11.097 -1.538 -4.258 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.237 -4.570 -4.688 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -11.825 -3.367 -5.861 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -10.648 -4.602 -6.367 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.302 -2.426 -7.653 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.478 -3.053 -8.680 1.00 0.04 C ATOM 1228 C GLN A 78 -5.800 -4.286 -8.073 1.00 0.62 C ATOM 1229 O GLN A 78 -4.582 -4.328 -7.885 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.505 -2.018 -9.272 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.016 -2.394 -10.678 1.00 -0.10 C ATOM 1232 CD GLN A 78 -6.064 -2.173 -11.770 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -7.226 -1.891 -11.493 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -5.649 -2.294 -13.032 1.00 -0.87 N ATOM 0 H GLN A 78 -6.838 -1.662 -7.161 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.077 -3.403 -9.521 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -5.996 -1.046 -9.312 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -4.646 -1.914 -8.610 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -4.128 -1.807 -10.914 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -4.716 -3.442 -10.681 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -4.676 -2.529 -13.229 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -6.304 -2.151 -13.800 1.00 -0.87 H new ATOM 1243 N ARG A 79 -6.639 -5.280 -7.747 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.293 -6.515 -7.061 1.00 0.04 C ATOM 1245 C ARG A 79 -6.536 -7.711 -7.972 1.00 0.62 C ATOM 1246 O ARG A 79 -7.352 -7.643 -8.892 1.00 -0.50 O ATOM 1247 CB ARG A 79 -7.101 -6.626 -5.756 1.00 -0.08 C ATOM 1248 CG ARG A 79 -8.621 -6.765 -5.944 1.00 -0.10 C ATOM 1249 CD ARG A 79 -9.107 -8.214 -6.085 1.00 -0.23 C ATOM 1250 NE ARG A 79 -10.547 -8.250 -6.360 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -11.111 -8.113 -7.571 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -10.358 -7.916 -8.665 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -12.444 -8.175 -7.682 1.00 -0.62 N ATOM 0 H ARG A 79 -7.633 -5.232 -7.972 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.233 -6.505 -6.806 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -6.739 -7.487 -5.194 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -6.904 -5.743 -5.148 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -9.125 -6.306 -5.093 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -8.919 -6.206 -6.831 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -8.565 -8.709 -6.891 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -8.892 -8.766 -5.170 1.00 -0.23 H new ATOM 0 HE ARG A 79 -11.172 -8.391 -5.566 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -9.342 -7.869 -8.583 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -10.802 -7.814 -9.578 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -13.018 -8.325 -6.853 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -12.885 -8.072 -8.596 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.843 -8.816 -7.674 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.938 -10.073 -8.396 1.00 0.04 C ATOM 1269 C HIS A 80 -6.089 -11.201 -7.368 1.00 0.62 C ATOM 1270 O HIS A 80 -5.205 -11.356 -6.526 1.00 -0.50 O ATOM 1271 CB HIS A 80 -4.670 -10.241 -9.247 1.00 -0.10 C ATOM 1272 CG HIS A 80 -4.784 -11.292 -10.322 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -5.394 -12.521 -10.213 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -4.309 -11.183 -11.603 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -5.289 -13.133 -11.403 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -4.629 -12.361 -12.282 1.00 -0.50 N ATOM 0 H HIS A 80 -5.182 -8.853 -6.898 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.800 -10.095 -9.063 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -4.429 -9.285 -9.712 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.837 -10.496 -8.592 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -5.844 -12.898 -9.379 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -3.781 -10.336 -12.015 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -5.682 -14.114 -11.624 1.00 0.24 H new ATOM 1284 N PRO A 81 -7.185 -11.981 -7.396 1.00 -0.23 N ATOM 1285 CA PRO A 81 -7.371 -13.111 -6.497 1.00 0.04 C ATOM 1286 C PRO A 81 -6.530 -14.305 -6.961 1.00 0.53 C ATOM 1287 O PRO A 81 -5.959 -14.283 -8.051 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.868 -13.419 -6.556 1.00 -0.12 C ATOM 1289 CG PRO A 81 -9.230 -13.047 -7.992 1.00 -0.12 C ATOM 1290 CD PRO A 81 -8.336 -11.839 -8.275 1.00 -0.01 C ATOM 0 HA PRO A 81 -7.050 -12.894 -5.478 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -9.074 -14.468 -6.345 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.431 -12.831 -5.831 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -9.031 -13.866 -8.683 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -10.287 -12.798 -8.089 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -8.029 -11.817 -9.321 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.865 -10.907 -8.078 1.00 -0.01 H new ATOM 1298 N TYR A 82 -6.465 -15.349 -6.124 1.00 -0.46 N ATOM 1299 CA TYR A 82 -5.726 -16.588 -6.356 1.00 0.04 C ATOM 1300 C TYR A 82 -4.219 -16.357 -6.206 1.00 0.62 C ATOM 1301 O TYR A 82 -3.612 -16.844 -5.254 1.00 -0.50 O ATOM 1302 CB TYR A 82 -6.088 -17.250 -7.700 1.00 -0.10 C ATOM 1303 CG TYR A 82 -7.564 -17.231 -8.058 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -8.507 -17.823 -7.200 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -7.996 -16.594 -9.238 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -9.878 -17.767 -7.510 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -9.365 -16.543 -9.550 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -10.307 -17.123 -8.685 1.00 0.46 C ATOM 1309 OH TYR A 82 -11.636 -17.061 -8.987 1.00 -0.53 O ATOM 0 H TYR A 82 -6.950 -15.348 -5.227 1.00 -0.46 H new ATOM 0 HA TYR A 82 -6.030 -17.299 -5.588 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -5.532 -16.750 -8.493 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -5.750 -18.286 -7.678 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -8.178 -18.322 -6.300 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.274 -16.144 -9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.601 -18.218 -6.846 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -9.693 -16.057 -10.457 1.00 -0.26 H new ATOM 0 HH TYR A 82 -11.757 -16.580 -9.832 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.627 -15.606 -7.142 1.00 -0.46 N ATOM 1320 CA LYS A 83 -2.230 -15.200 -7.128 1.00 0.04 C ATOM 1321 C LYS A 83 -2.130 -13.818 -6.467 1.00 0.62 C ATOM 1322 O LYS A 83 -2.731 -12.868 -6.969 1.00 -0.50 O ATOM 1323 CB LYS A 83 -1.656 -15.187 -8.556 1.00 -0.10 C ATOM 1324 CG LYS A 83 -2.617 -14.627 -9.617 1.00 -0.16 C ATOM 1325 CD LYS A 83 -1.905 -14.331 -10.942 1.00 -0.18 C ATOM 1326 CE LYS A 83 -1.117 -13.016 -10.882 1.00 -0.04 C ATOM 1327 NZ LYS A 83 -0.639 -12.620 -12.217 1.00 -0.14 N ATOM 0 H LYS A 83 -4.132 -15.255 -7.956 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.639 -15.913 -6.554 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -0.741 -14.595 -8.562 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -1.379 -16.204 -8.833 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -3.421 -15.342 -9.790 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -3.078 -13.713 -9.242 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -1.227 -15.150 -11.182 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 -2.639 -14.279 -11.746 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 -1.749 -12.229 -10.471 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -0.268 -13.128 -10.207 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 -0.110 -11.728 -12.146 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 -0.017 -13.362 -12.597 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 -1.452 -12.490 -12.852 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.397 -13.674 -5.350 1.00 -0.23 N ATOM 1342 CA PRO A 84 -1.312 -12.420 -4.620 1.00 0.04 C ATOM 1343 C PRO A 84 -0.440 -11.425 -5.390 1.00 0.53 C ATOM 1344 O PRO A 84 0.780 -11.576 -5.427 1.00 -0.50 O ATOM 1345 CB PRO A 84 -0.715 -12.792 -3.258 1.00 -0.12 C ATOM 1346 CG PRO A 84 0.144 -14.017 -3.563 1.00 -0.12 C ATOM 1347 CD PRO A 84 -0.639 -14.716 -4.674 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.278 -11.931 -4.495 1.00 0.04 H new ATOM 0 HB2 PRO A 84 -0.119 -11.978 -2.846 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -1.492 -13.019 -2.528 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 1.145 -13.737 -3.890 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 0.261 -14.656 -2.688 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.034 -15.220 -5.367 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -1.303 -15.477 -4.264 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.062 -10.419 -6.021 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.350 -9.469 -6.863 1.00 0.04 C ATOM 1357 C LYS A 85 -1.114 -8.139 -6.952 1.00 0.62 C ATOM 1358 O LYS A 85 -1.669 -7.797 -7.995 1.00 -0.50 O ATOM 1359 CB LYS A 85 -0.086 -10.115 -8.238 1.00 -0.10 C ATOM 1360 CG LYS A 85 1.147 -9.518 -8.927 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.442 -10.145 -8.387 1.00 -0.18 C ATOM 1362 CE LYS A 85 3.690 -9.584 -9.080 1.00 -0.04 C ATOM 1363 NZ LYS A 85 3.931 -8.173 -8.736 1.00 -0.14 N ATOM 0 H LYS A 85 -2.066 -10.248 -5.958 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.617 -9.225 -6.423 1.00 0.04 H new ATOM 0 HB2 LYS A 85 0.053 -11.189 -8.113 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -0.959 -9.979 -8.876 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 1.081 -9.682 -10.003 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 1.169 -8.440 -8.770 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 2.512 -9.964 -7.314 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 2.406 -11.225 -8.526 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 4.559 -10.179 -8.797 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 3.577 -9.679 -10.160 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 4.803 -7.847 -9.200 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 3.129 -7.595 -9.059 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 4.032 -8.079 -7.705 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.115 -7.374 -5.852 1.00 -0.46 N ATOM 1378 CA LEU A 86 -1.702 -6.039 -5.802 1.00 0.04 C ATOM 1379 C LEU A 86 -0.845 -5.046 -6.586 1.00 0.62 C ATOM 1380 O LEU A 86 0.378 -5.169 -6.621 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.825 -5.562 -4.348 1.00 -0.06 C ATOM 1382 CG LEU A 86 -3.134 -6.013 -3.691 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -3.004 -5.923 -2.170 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -4.291 -5.106 -4.126 1.00 -0.11 C ATOM 0 H LEU A 86 -0.704 -7.672 -4.967 1.00 -0.46 H new ATOM 0 HA LEU A 86 -2.694 -6.090 -6.251 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -0.982 -5.944 -3.771 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.764 -4.474 -4.320 1.00 -0.06 H new ATOM 0 HG LEU A 86 -3.335 -7.040 -3.998 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -3.936 -6.244 -1.706 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -2.191 -6.567 -1.836 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -2.792 -4.893 -1.883 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -5.213 -5.440 -3.651 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -4.080 -4.079 -3.828 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -4.403 -5.154 -5.209 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.512 -4.058 -7.194 1.00 -0.46 N ATOM 1397 CA GLN A 87 -0.886 -2.967 -7.927 1.00 0.04 C ATOM 1398 C GLN A 87 -1.168 -1.642 -7.216 1.00 0.62 C ATOM 1399 O GLN A 87 -0.248 -0.866 -6.962 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.426 -2.921 -9.366 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.382 -4.271 -10.091 1.00 -0.10 C ATOM 1402 CD GLN A 87 0.020 -4.868 -10.128 1.00 0.68 C ATOM 1403 OE1 GLN A 87 0.955 -4.239 -10.618 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 0.177 -6.090 -9.616 1.00 -0.87 N ATOM 0 H GLN A 87 -2.530 -4.000 -7.186 1.00 -0.46 H new ATOM 0 HA GLN A 87 0.191 -3.131 -7.963 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.456 -2.564 -9.346 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -0.848 -2.194 -9.937 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -2.057 -4.968 -9.595 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -1.747 -4.144 -11.110 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 -0.622 -6.582 -9.217 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 1.096 -6.532 -9.623 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.451 -1.376 -6.938 1.00 -0.46 N ATOM 1414 CA HIS A 88 -2.956 -0.082 -6.504 1.00 0.04 C ATOM 1415 C HIS A 88 -4.370 -0.266 -5.944 1.00 0.62 C ATOM 1416 O HIS A 88 -5.027 -1.263 -6.241 1.00 -0.50 O ATOM 1417 CB HIS A 88 -2.967 0.866 -7.715 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.214 2.311 -7.369 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.428 2.961 -7.379 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.250 3.240 -7.083 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.195 4.247 -7.073 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -2.884 4.468 -6.884 1.00 -0.50 N ATOM 0 H HIS A 88 -3.183 -2.082 -7.014 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.324 0.344 -5.724 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.011 0.787 -8.232 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.736 0.535 -8.413 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.336 2.543 -7.581 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.188 3.056 -7.022 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -4.961 5.004 -6.990 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.851 0.700 -5.152 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.270 0.842 -4.849 1.00 0.04 C ATOM 1432 C ILE A 89 -6.644 2.314 -5.001 1.00 0.62 C ATOM 1433 O ILE A 89 -5.948 3.190 -4.487 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.642 0.324 -3.443 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -6.490 -1.201 -3.268 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -8.111 0.690 -3.173 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -5.095 -1.621 -2.807 1.00 -0.09 C ATOM 0 H ILE A 89 -4.262 1.403 -4.705 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.835 0.226 -5.548 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.949 0.791 -2.743 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -7.225 -1.552 -2.544 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -6.716 -1.692 -4.214 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -8.399 0.334 -2.184 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -8.230 1.772 -3.218 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.747 0.223 -3.925 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -5.057 -2.705 -2.704 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -4.357 -1.300 -3.542 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -4.875 -1.157 -1.846 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.769 2.563 -5.679 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.408 3.863 -5.780 1.00 0.04 C ATOM 1451 C ASP A 90 -9.632 3.836 -4.861 1.00 0.62 C ATOM 1452 O ASP A 90 -10.747 3.563 -5.306 1.00 -0.50 O ATOM 1453 CB ASP A 90 -8.786 4.137 -7.243 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.564 4.158 -8.159 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -7.039 3.057 -8.437 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.162 5.274 -8.554 1.00 -0.72 O ATOM 0 H ASP A 90 -8.271 1.835 -6.187 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.743 4.669 -5.470 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.482 3.372 -7.586 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.305 5.093 -7.310 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.415 4.089 -3.564 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.470 4.093 -2.557 1.00 0.04 C ATOM 1463 C PHE A 91 -11.429 5.258 -2.805 1.00 0.62 C ATOM 1464 O PHE A 91 -11.053 6.244 -3.435 1.00 -0.50 O ATOM 1465 CB PHE A 91 -9.869 4.211 -1.150 1.00 -0.10 C ATOM 1466 CG PHE A 91 -8.965 3.077 -0.718 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.535 1.901 -0.198 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.567 3.247 -0.688 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -8.714 0.890 0.329 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.747 2.238 -0.151 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.322 1.058 0.350 1.00 -0.15 C ATOM 0 H PHE A 91 -8.491 4.298 -3.186 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.018 3.154 -2.629 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.304 5.141 -1.095 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.686 4.291 -0.433 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.608 1.775 -0.204 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.125 4.152 -1.077 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.155 -0.016 0.718 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.675 2.370 -0.124 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -6.691 0.279 0.752 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.659 5.152 -2.288 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.653 6.220 -2.325 1.00 0.04 C ATOM 1483 C VAL A 92 -14.249 6.391 -0.926 1.00 0.62 C ATOM 1484 O VAL A 92 -14.546 5.397 -0.268 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.737 5.945 -3.386 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -14.128 5.862 -4.792 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -15.548 4.672 -3.122 1.00 -0.09 C ATOM 0 H VAL A 92 -12.992 4.306 -1.826 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.172 7.153 -2.619 1.00 0.04 H new ATOM 0 HB VAL A 92 -15.421 6.791 -3.319 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -14.916 5.667 -5.519 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -13.638 6.805 -5.032 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -13.397 5.054 -4.825 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -16.291 4.544 -3.909 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -14.880 3.811 -3.110 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -16.051 4.754 -2.158 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.418 7.643 -0.477 1.00 -0.46 N ATOM 1498 CA ARG A 93 -15.031 7.980 0.806 1.00 0.04 C ATOM 1499 C ARG A 93 -16.391 7.294 0.976 1.00 0.62 C ATOM 1500 O ARG A 93 -17.203 7.296 0.054 1.00 -0.50 O ATOM 1501 CB ARG A 93 -15.226 9.502 0.901 1.00 -0.08 C ATOM 1502 CG ARG A 93 -13.954 10.263 1.295 1.00 -0.10 C ATOM 1503 CD ARG A 93 -13.693 10.191 2.805 1.00 -0.23 C ATOM 1504 NE ARG A 93 -12.601 11.100 3.188 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -12.425 11.639 4.408 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -13.251 11.342 5.422 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -11.403 12.477 4.618 1.00 -0.62 N ATOM 0 H ARG A 93 -14.125 8.462 -1.009 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.365 7.631 1.595 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -15.579 9.875 -0.061 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -16.007 9.715 1.631 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -13.101 9.848 0.758 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -14.045 11.306 0.991 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -14.600 10.455 3.349 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.438 9.169 3.087 1.00 -0.23 H new ATOM 0 HE ARG A 93 -11.920 11.342 2.468 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -14.028 10.698 5.275 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -13.102 11.760 6.340 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -10.764 12.703 3.856 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -11.263 12.890 5.540 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.640 6.742 2.171 1.00 -0.46 N ATOM 1522 CA ALA A 94 -17.939 6.203 2.560 1.00 0.04 C ATOM 1523 C ALA A 94 -18.764 7.298 3.227 1.00 0.62 C ATOM 1524 O ALA A 94 -18.254 8.052 4.057 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.755 5.012 3.501 1.00 -0.10 C ATOM 0 H ALA A 94 -15.932 6.659 2.900 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.468 5.855 1.673 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.731 4.618 3.785 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.183 4.234 2.996 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.220 5.334 4.395 1.00 -0.10 H new TER 1531 ALA A 94