USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 167:sc= 1.1 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.0257 F(o=-0.043!,f=1.1) USER MOD Set 2.1: A 31 HIS :FLIP no HD1:sc= 0.00314 F(o=-2.3,f=-1.1) USER MOD Set 2.2: A 35 THR OG1 : rot 143:sc= -1.13 USER MOD Single : A 7 SER OG : rot -21:sc= 0.4 USER MOD Single : A 11 ASN : amide:sc= 0.152 K(o=0.15,f=-8.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.634 K(o=0.63,f=-3.6!) USER MOD Single : A 17 HIS : no HE2:sc= 0.132 K(o=0.13,f=-0.52) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 72:sc= 1.13 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -167:sc= -0.155 (180deg=-0.45) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0752 K(o=0.075,f=-3.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 55 HIS : no HD1:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.5) USER MOD Single : A 65 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 0.709 (180deg=0.696) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -20.245 34.445 -3.619 1.00 0.00 N ATOM 2 CA SER A 7 -20.272 34.662 -2.183 1.00 0.00 C ATOM 3 C SER A 7 -19.876 33.373 -1.480 1.00 0.00 C ATOM 4 O SER A 7 -20.293 32.281 -1.883 1.00 0.00 O ATOM 5 CB SER A 7 -21.687 35.100 -1.808 1.00 0.00 C ATOM 6 OG SER A 7 -22.647 34.275 -2.460 1.00 0.00 O ATOM 0 HA SER A 7 -19.567 35.435 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.820 35.040 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 7 -21.840 36.141 -2.091 1.00 0.00 H new ATOM 0 HG SER A 7 -22.236 33.849 -3.241 1.00 0.00 H new ATOM 12 N GLY A 8 -19.052 33.485 -0.463 1.00 0.00 N ATOM 13 CA GLY A 8 -18.599 32.327 0.246 1.00 0.00 C ATOM 14 C GLY A 8 -18.922 32.423 1.704 1.00 0.00 C ATOM 15 O GLY A 8 -18.906 33.513 2.281 1.00 0.00 O ATOM 0 H GLY A 8 -18.686 34.371 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -19.064 31.435 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.522 32.216 0.116 1.00 0.00 H new ATOM 19 N ARG A 9 -19.267 31.319 2.298 1.00 0.00 N ATOM 20 CA ARG A 9 -19.547 31.277 3.707 1.00 0.00 C ATOM 21 C ARG A 9 -18.559 30.336 4.351 1.00 0.00 C ATOM 22 O ARG A 9 -17.936 29.521 3.655 1.00 0.00 O ATOM 23 CB ARG A 9 -20.996 30.868 3.990 1.00 0.00 C ATOM 24 CG ARG A 9 -22.012 31.864 3.453 1.00 0.00 C ATOM 25 CD ARG A 9 -23.445 31.458 3.750 1.00 0.00 C ATOM 26 NE ARG A 9 -23.821 30.197 3.103 1.00 0.00 N ATOM 27 CZ ARG A 9 -24.965 29.983 2.437 1.00 0.00 C ATOM 28 NH1 ARG A 9 -25.830 30.973 2.248 1.00 0.00 N ATOM 29 NH2 ARG A 9 -25.245 28.777 1.965 1.00 0.00 N ATOM 0 H ARG A 9 -19.363 30.422 1.822 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.436 32.274 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.185 29.890 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -21.134 30.762 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -21.819 32.844 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.883 31.963 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -23.575 31.362 4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.119 32.248 3.417 1.00 0.00 H new ATOM 0 HE ARG A 9 -23.161 29.422 3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -25.626 31.904 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -26.698 30.802 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.590 28.009 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -26.116 28.617 1.459 1.00 0.00 H new ATOM 43 N GLU A 10 -18.392 30.486 5.639 1.00 0.00 N ATOM 44 CA GLU A 10 -17.462 29.712 6.430 1.00 0.00 C ATOM 45 C GLU A 10 -17.752 28.226 6.295 1.00 0.00 C ATOM 46 O GLU A 10 -18.864 27.760 6.565 1.00 0.00 O ATOM 47 CB GLU A 10 -17.505 30.159 7.903 1.00 0.00 C ATOM 48 CG GLU A 10 -16.992 31.585 8.182 1.00 0.00 C ATOM 49 CD GLU A 10 -17.713 32.679 7.414 1.00 0.00 C ATOM 50 OE1 GLU A 10 -17.062 33.597 6.883 1.00 0.00 O ATOM 51 OE2 GLU A 10 -18.955 32.619 7.266 1.00 0.00 O ATOM 0 H GLU A 10 -18.914 31.170 6.186 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.454 29.890 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.534 30.087 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.915 29.458 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.084 31.788 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.930 31.629 7.940 1.00 0.00 H new ATOM 58 N ASN A 11 -16.753 27.510 5.838 1.00 0.00 N ATOM 59 CA ASN A 11 -16.799 26.082 5.611 1.00 0.00 C ATOM 60 C ASN A 11 -16.628 25.406 6.973 1.00 0.00 C ATOM 61 O ASN A 11 -16.438 26.085 7.992 1.00 0.00 O ATOM 62 CB ASN A 11 -15.651 25.743 4.623 1.00 0.00 C ATOM 63 CG ASN A 11 -15.618 24.338 4.013 1.00 0.00 C ATOM 64 OD1 ASN A 11 -16.027 23.342 4.600 1.00 0.00 O ATOM 65 ND2 ASN A 11 -15.133 24.252 2.796 1.00 0.00 N ATOM 0 H ASN A 11 -15.849 27.921 5.604 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.736 25.735 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.692 26.461 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.706 25.904 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.093 23.348 2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.797 25.089 2.321 1.00 0.00 H new ATOM 72 N LEU A 12 -16.722 24.107 7.007 1.00 0.00 N ATOM 73 CA LEU A 12 -16.580 23.364 8.228 1.00 0.00 C ATOM 74 C LEU A 12 -15.176 23.425 8.742 1.00 0.00 C ATOM 75 O LEU A 12 -14.206 23.579 7.990 1.00 0.00 O ATOM 76 CB LEU A 12 -17.033 21.920 8.105 1.00 0.00 C ATOM 77 CG LEU A 12 -18.526 21.723 7.945 1.00 0.00 C ATOM 78 CD1 LEU A 12 -18.835 20.260 7.729 1.00 0.00 C ATOM 79 CD2 LEU A 12 -19.286 22.250 9.157 1.00 0.00 C ATOM 0 H LEU A 12 -16.900 23.530 6.185 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.243 23.845 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -16.530 21.470 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.704 21.376 8.991 1.00 0.00 H new ATOM 0 HG LEU A 12 -18.852 22.290 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.911 20.128 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -18.329 19.910 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.488 19.684 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.355 22.094 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -18.960 21.718 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.087 23.315 9.276 1.00 0.00 H new ATOM 91 N TYR A 13 -15.102 23.274 10.019 1.00 0.00 N ATOM 92 CA TYR A 13 -13.872 23.403 10.749 1.00 0.00 C ATOM 93 C TYR A 13 -13.072 22.122 10.671 1.00 0.00 C ATOM 94 O TYR A 13 -13.570 21.100 10.179 1.00 0.00 O ATOM 95 CB TYR A 13 -14.180 23.857 12.177 1.00 0.00 C ATOM 96 CG TYR A 13 -14.884 25.195 12.156 1.00 0.00 C ATOM 97 CD1 TYR A 13 -16.267 25.292 12.279 1.00 0.00 C ATOM 98 CD2 TYR A 13 -14.163 26.359 11.947 1.00 0.00 C ATOM 99 CE1 TYR A 13 -16.905 26.513 12.191 1.00 0.00 C ATOM 100 CE2 TYR A 13 -14.791 27.582 11.872 1.00 0.00 C ATOM 101 CZ TYR A 13 -16.159 27.654 11.989 1.00 0.00 C ATOM 102 OH TYR A 13 -16.783 28.871 11.881 1.00 0.00 O ATOM 0 H TYR A 13 -15.907 23.053 10.605 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.239 24.169 10.302 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.805 23.116 12.676 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.256 23.932 12.750 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.850 24.398 12.446 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.090 26.306 11.841 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.980 26.574 12.280 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.211 28.481 11.722 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.112 29.572 11.742 1.00 0.00 H new ATOM 112 N PHE A 14 -11.847 22.173 11.120 1.00 0.00 N ATOM 113 CA PHE A 14 -10.973 21.035 11.020 1.00 0.00 C ATOM 114 C PHE A 14 -11.232 20.072 12.147 1.00 0.00 C ATOM 115 O PHE A 14 -11.213 20.436 13.328 1.00 0.00 O ATOM 116 CB PHE A 14 -9.506 21.463 10.936 1.00 0.00 C ATOM 117 CG PHE A 14 -9.215 22.240 9.681 1.00 0.00 C ATOM 118 CD1 PHE A 14 -9.348 23.620 9.649 1.00 0.00 C ATOM 119 CD2 PHE A 14 -8.829 21.581 8.526 1.00 0.00 C ATOM 120 CE1 PHE A 14 -9.102 24.326 8.490 1.00 0.00 C ATOM 121 CE2 PHE A 14 -8.578 22.284 7.364 1.00 0.00 C ATOM 122 CZ PHE A 14 -8.716 23.658 7.345 1.00 0.00 C ATOM 0 H PHE A 14 -11.430 22.993 11.560 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.191 20.510 10.090 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.256 22.072 11.805 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.868 20.580 10.971 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.648 24.148 10.542 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.723 20.506 8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.211 25.400 8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.274 21.759 6.470 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.522 24.209 6.436 1.00 0.00 H new ATOM 132 N GLN A 15 -11.524 18.860 11.760 1.00 0.00 N ATOM 133 CA GLN A 15 -11.815 17.779 12.658 1.00 0.00 C ATOM 134 C GLN A 15 -10.496 17.105 13.015 1.00 0.00 C ATOM 135 O GLN A 15 -9.432 17.562 12.577 1.00 0.00 O ATOM 136 CB GLN A 15 -12.768 16.776 11.967 1.00 0.00 C ATOM 137 CG GLN A 15 -12.130 15.803 10.956 1.00 0.00 C ATOM 138 CD GLN A 15 -11.354 16.420 9.803 1.00 0.00 C ATOM 139 OE1 GLN A 15 -11.652 17.513 9.324 1.00 0.00 O ATOM 140 NE2 GLN A 15 -10.325 15.733 9.374 1.00 0.00 N ATOM 0 H GLN A 15 -11.567 18.590 10.777 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.303 18.143 13.562 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.263 16.188 12.740 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.544 17.343 11.452 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.458 15.140 11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.921 15.181 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.105 14.829 9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.744 16.102 8.621 1.00 0.00 H new ATOM 149 N GLY A 16 -10.558 16.065 13.823 1.00 0.00 N ATOM 150 CA GLY A 16 -9.380 15.283 14.121 1.00 0.00 C ATOM 151 C GLY A 16 -8.790 14.725 12.835 1.00 0.00 C ATOM 152 O GLY A 16 -9.482 14.052 12.059 1.00 0.00 O ATOM 0 H GLY A 16 -11.410 15.744 14.283 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.642 15.902 14.632 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.636 14.468 14.798 1.00 0.00 H new ATOM 156 N HIS A 17 -7.542 15.039 12.593 1.00 0.00 N ATOM 157 CA HIS A 17 -6.859 14.640 11.376 1.00 0.00 C ATOM 158 C HIS A 17 -6.549 13.149 11.452 1.00 0.00 C ATOM 159 O HIS A 17 -6.525 12.576 12.544 1.00 0.00 O ATOM 160 CB HIS A 17 -5.568 15.463 11.237 1.00 0.00 C ATOM 161 CG HIS A 17 -4.845 15.343 9.924 1.00 0.00 C ATOM 162 ND1 HIS A 17 -3.809 14.472 9.680 1.00 0.00 N ATOM 163 CD2 HIS A 17 -5.011 16.046 8.782 1.00 0.00 C ATOM 164 CE1 HIS A 17 -3.382 14.665 8.432 1.00 0.00 C ATOM 165 NE2 HIS A 17 -4.085 15.618 7.837 1.00 0.00 N ATOM 0 H HIS A 17 -6.963 15.581 13.235 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.485 14.823 10.503 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.811 16.513 11.400 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.885 15.167 12.033 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.431 13.794 10.342 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.748 16.820 8.627 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.573 14.119 7.969 1.00 0.00 H new ATOM 173 N MET A 18 -6.358 12.529 10.310 1.00 0.00 N ATOM 174 CA MET A 18 -6.000 11.126 10.226 1.00 0.00 C ATOM 175 C MET A 18 -4.665 10.885 10.936 1.00 0.00 C ATOM 176 O MET A 18 -3.700 11.650 10.756 1.00 0.00 O ATOM 177 CB MET A 18 -6.042 10.681 8.746 1.00 0.00 C ATOM 178 CG MET A 18 -5.515 9.289 8.406 1.00 0.00 C ATOM 179 SD MET A 18 -3.746 9.286 8.055 1.00 0.00 S ATOM 180 CE MET A 18 -3.468 7.558 7.672 1.00 0.00 C ATOM 0 H MET A 18 -6.447 12.986 9.403 1.00 0.00 H new ATOM 0 HA MET A 18 -6.720 10.498 10.750 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.077 10.739 8.408 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.475 11.406 8.162 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.718 8.614 9.238 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.054 8.901 7.542 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.416 7.403 7.434 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.740 6.946 8.532 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.079 7.272 6.816 1.00 0.00 H new ATOM 190 N ALA A 19 -4.670 9.873 11.802 1.00 0.00 N ATOM 191 CA ALA A 19 -3.547 9.492 12.637 1.00 0.00 C ATOM 192 C ALA A 19 -2.309 9.241 11.805 1.00 0.00 C ATOM 193 O ALA A 19 -2.371 8.570 10.775 1.00 0.00 O ATOM 194 CB ALA A 19 -3.904 8.258 13.455 1.00 0.00 C ATOM 0 H ALA A 19 -5.488 9.279 11.942 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.327 10.316 13.316 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.056 7.978 14.080 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.764 8.477 14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.148 7.435 12.784 1.00 0.00 H new ATOM 200 N ALA A 20 -1.204 9.761 12.289 1.00 0.00 N ATOM 201 CA ALA A 20 0.080 9.720 11.599 1.00 0.00 C ATOM 202 C ALA A 20 0.486 8.300 11.190 1.00 0.00 C ATOM 203 O ALA A 20 0.377 7.362 11.979 1.00 0.00 O ATOM 204 CB ALA A 20 1.164 10.338 12.469 1.00 0.00 C ATOM 0 H ALA A 20 -1.164 10.235 13.191 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.034 10.299 10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.118 10.301 11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.909 11.375 12.686 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.243 9.781 13.402 1.00 0.00 H new ATOM 210 N PRO A 21 0.884 8.117 9.922 1.00 0.00 N ATOM 211 CA PRO A 21 1.385 6.832 9.423 1.00 0.00 C ATOM 212 C PRO A 21 2.666 6.417 10.150 1.00 0.00 C ATOM 213 O PRO A 21 3.469 7.276 10.553 1.00 0.00 O ATOM 214 CB PRO A 21 1.694 7.121 7.951 1.00 0.00 C ATOM 215 CG PRO A 21 0.872 8.311 7.615 1.00 0.00 C ATOM 216 CD PRO A 21 0.824 9.134 8.857 1.00 0.00 C ATOM 0 HA PRO A 21 0.672 6.021 9.572 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.755 7.319 7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.436 6.271 7.319 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.314 8.872 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.130 8.018 7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.661 9.830 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.089 9.727 8.915 1.00 0.00 H new ATOM 224 N ALA A 22 2.891 5.119 10.280 1.00 0.00 N ATOM 225 CA ALA A 22 4.028 4.555 11.022 1.00 0.00 C ATOM 226 C ALA A 22 5.366 4.642 10.311 1.00 0.00 C ATOM 227 O ALA A 22 6.269 3.844 10.594 1.00 0.00 O ATOM 228 CB ALA A 22 3.754 3.111 11.273 1.00 0.00 C ATOM 0 H ALA A 22 2.284 4.409 9.870 1.00 0.00 H new ATOM 0 HA ALA A 22 4.113 5.151 11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.587 2.673 11.823 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.840 3.010 11.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.635 2.593 10.322 1.00 0.00 H new ATOM 234 N ARG A 23 5.504 5.604 9.430 1.00 0.00 N ATOM 235 CA ARG A 23 6.727 5.803 8.640 1.00 0.00 C ATOM 236 C ARG A 23 7.152 4.530 7.906 1.00 0.00 C ATOM 237 O ARG A 23 8.327 4.312 7.616 1.00 0.00 O ATOM 238 CB ARG A 23 7.856 6.365 9.511 1.00 0.00 C ATOM 239 CG ARG A 23 7.606 7.804 9.898 1.00 0.00 C ATOM 240 CD ARG A 23 8.695 8.382 10.774 1.00 0.00 C ATOM 241 NE ARG A 23 8.522 9.828 10.887 1.00 0.00 N ATOM 242 CZ ARG A 23 8.798 10.589 11.946 1.00 0.00 C ATOM 243 NH1 ARG A 23 9.187 10.045 13.096 1.00 0.00 N ATOM 244 NH2 ARG A 23 8.654 11.899 11.858 1.00 0.00 N ATOM 0 H ARG A 23 4.772 6.285 9.229 1.00 0.00 H new ATOM 0 HA ARG A 23 6.503 6.542 7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.956 5.759 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.801 6.293 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.517 8.407 8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.652 7.873 10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.661 7.924 11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.674 8.155 10.351 1.00 0.00 H new ATOM 0 HE ARG A 23 8.150 10.307 10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.278 9.032 13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.395 10.641 13.898 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.334 12.319 10.985 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.863 12.490 12.663 1.00 0.00 H new ATOM 258 N SER A 24 6.171 3.748 7.509 1.00 0.00 N ATOM 259 CA SER A 24 6.409 2.490 6.854 1.00 0.00 C ATOM 260 C SER A 24 5.323 2.250 5.817 1.00 0.00 C ATOM 261 O SER A 24 4.167 2.521 6.104 1.00 0.00 O ATOM 262 CB SER A 24 6.295 1.403 7.920 1.00 0.00 C ATOM 263 OG SER A 24 7.154 1.662 9.029 1.00 0.00 O ATOM 0 H SER A 24 5.184 3.972 7.634 1.00 0.00 H new ATOM 0 HA SER A 24 7.386 2.485 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.263 1.339 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.546 0.436 7.483 1.00 0.00 H new ATOM 0 HG SER A 24 6.800 2.414 9.548 1.00 0.00 H new ATOM 269 N CYS A 25 5.683 1.737 4.654 1.00 0.00 N ATOM 270 CA CYS A 25 4.727 1.340 3.652 1.00 0.00 C ATOM 271 C CYS A 25 4.763 -0.151 3.687 1.00 0.00 C ATOM 272 O CYS A 25 5.830 -0.759 3.684 1.00 0.00 O ATOM 273 CB CYS A 25 5.107 1.798 2.242 1.00 0.00 C ATOM 274 SG CYS A 25 4.947 3.576 1.928 1.00 0.00 S ATOM 0 H CYS A 25 6.655 1.586 4.383 1.00 0.00 H new ATOM 0 HA CYS A 25 3.753 1.782 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.139 1.504 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.484 1.263 1.525 1.00 0.00 H new ATOM 279 N VAL A 26 3.624 -0.735 3.758 1.00 0.00 N ATOM 280 CA VAL A 26 3.522 -2.146 3.927 1.00 0.00 C ATOM 281 C VAL A 26 2.898 -2.679 2.677 1.00 0.00 C ATOM 282 O VAL A 26 1.808 -2.251 2.296 1.00 0.00 O ATOM 283 CB VAL A 26 2.642 -2.429 5.144 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.826 -3.815 5.669 1.00 0.00 C ATOM 285 CG2 VAL A 26 2.934 -1.446 6.217 1.00 0.00 C ATOM 0 H VAL A 26 2.729 -0.250 3.701 1.00 0.00 H new ATOM 0 HA VAL A 26 4.491 -2.618 4.093 1.00 0.00 H new ATOM 0 HB VAL A 26 1.605 -2.336 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.179 -3.966 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.568 -4.535 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.865 -3.957 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.303 -1.653 7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.982 -1.523 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.731 -0.439 5.853 1.00 0.00 H new ATOM 295 N TYR A 27 3.604 -3.562 2.032 1.00 0.00 N ATOM 296 CA TYR A 27 3.189 -4.086 0.764 1.00 0.00 C ATOM 297 C TYR A 27 2.396 -5.336 0.945 1.00 0.00 C ATOM 298 O TYR A 27 2.774 -6.238 1.710 1.00 0.00 O ATOM 299 CB TYR A 27 4.381 -4.275 -0.171 1.00 0.00 C ATOM 300 CG TYR A 27 4.951 -2.951 -0.630 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.556 -2.076 0.262 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.854 -2.563 -1.952 1.00 0.00 C ATOM 303 CE1 TYR A 27 6.042 -0.856 -0.149 1.00 0.00 C ATOM 304 CE2 TYR A 27 5.350 -1.347 -2.371 1.00 0.00 C ATOM 305 CZ TYR A 27 5.938 -0.498 -1.468 1.00 0.00 C ATOM 306 OH TYR A 27 6.412 0.719 -1.890 1.00 0.00 O ATOM 0 H TYR A 27 4.488 -3.940 2.373 1.00 0.00 H new ATOM 0 HA TYR A 27 2.533 -3.359 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.156 -4.847 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.073 -4.859 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.647 -2.359 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.383 -3.221 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.502 -0.186 0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.276 -1.063 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 27 6.260 0.813 -2.854 1.00 0.00 H new ATOM 316 N TYR A 28 1.289 -5.368 0.270 1.00 0.00 N ATOM 317 CA TYR A 28 0.380 -6.441 0.344 1.00 0.00 C ATOM 318 C TYR A 28 -0.049 -6.880 -1.032 1.00 0.00 C ATOM 319 O TYR A 28 -0.014 -6.118 -1.995 1.00 0.00 O ATOM 320 CB TYR A 28 -0.881 -6.047 1.080 1.00 0.00 C ATOM 321 CG TYR A 28 -0.764 -5.681 2.543 1.00 0.00 C ATOM 322 CD1 TYR A 28 -0.574 -4.371 2.941 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.884 -6.647 3.528 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.503 -4.041 4.272 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.811 -6.325 4.862 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.620 -5.013 5.229 1.00 0.00 C ATOM 327 OH TYR A 28 -0.552 -4.670 6.560 1.00 0.00 O ATOM 0 H TYR A 28 0.996 -4.622 -0.361 1.00 0.00 H new ATOM 0 HA TYR A 28 0.899 -7.243 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.321 -5.198 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.588 -6.873 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.480 -3.596 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.038 -7.677 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.354 -3.012 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.903 -7.094 5.615 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.654 -5.474 7.111 1.00 0.00 H new ATOM 337 N ASP A 29 -0.443 -8.112 -1.084 1.00 0.00 N ATOM 338 CA ASP A 29 -1.025 -8.740 -2.248 1.00 0.00 C ATOM 339 C ASP A 29 -2.510 -8.828 -1.966 1.00 0.00 C ATOM 340 O ASP A 29 -2.926 -9.605 -1.111 1.00 0.00 O ATOM 341 CB ASP A 29 -0.439 -10.149 -2.365 1.00 0.00 C ATOM 342 CG ASP A 29 -0.997 -11.024 -3.477 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.212 -11.315 -3.501 1.00 0.00 O ATOM 344 OD2 ASP A 29 -0.222 -11.523 -4.311 1.00 0.00 O ATOM 0 H ASP A 29 -0.369 -8.743 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.829 -8.192 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.638 -10.060 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.593 -10.663 -1.416 1.00 0.00 H new ATOM 349 N GLY A 30 -3.290 -7.968 -2.559 1.00 0.00 N ATOM 350 CA GLY A 30 -4.713 -8.036 -2.357 1.00 0.00 C ATOM 351 C GLY A 30 -5.490 -7.128 -3.251 1.00 0.00 C ATOM 352 O GLY A 30 -5.234 -5.927 -3.329 1.00 0.00 O ATOM 0 H GLY A 30 -2.973 -7.222 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.045 -9.062 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.936 -7.788 -1.319 1.00 0.00 H new ATOM 356 N HIS A 31 -6.467 -7.707 -3.875 1.00 0.00 N ATOM 357 CA HIS A 31 -7.373 -6.999 -4.779 1.00 0.00 C ATOM 358 C HIS A 31 -8.468 -6.268 -3.989 1.00 0.00 C ATOM 359 O HIS A 31 -9.203 -5.431 -4.520 1.00 0.00 O ATOM 360 CB HIS A 31 -7.954 -7.945 -5.855 1.00 0.00 C ATOM 361 CG HIS A 31 -8.788 -9.109 -5.369 1.00 0.00 C ATOM 362 ND1 HIS A 31 -8.728 -9.836 -4.219 1.00 0.00 N flip ATOM 363 CD2 HIS A 31 -9.791 -9.676 -6.113 1.00 0.00 C flip ATOM 364 CE1 HIS A 31 -9.681 -10.843 -4.255 1.00 0.00 C flip ATOM 365 NE2 HIS A 31 -10.296 -10.702 -5.423 1.00 0.00 N flip ATOM 0 H HIS A 31 -6.677 -8.701 -3.782 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.799 -6.241 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.565 -7.351 -6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.124 -8.343 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.117 -9.349 -7.089 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.880 -11.584 -3.495 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.055 -11.299 -5.751 1.00 0.00 H new ATOM 373 N LEU A 32 -8.563 -6.613 -2.718 1.00 0.00 N ATOM 374 CA LEU A 32 -9.447 -5.986 -1.759 1.00 0.00 C ATOM 375 C LEU A 32 -8.604 -5.673 -0.544 1.00 0.00 C ATOM 376 O LEU A 32 -7.613 -6.370 -0.300 1.00 0.00 O ATOM 377 CB LEU A 32 -10.611 -6.892 -1.292 1.00 0.00 C ATOM 378 CG LEU A 32 -11.860 -7.032 -2.169 1.00 0.00 C ATOM 379 CD1 LEU A 32 -11.593 -7.760 -3.470 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.975 -7.720 -1.397 1.00 0.00 C ATOM 0 H LEU A 32 -8.005 -7.365 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.894 -5.113 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.205 -7.892 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.936 -6.529 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.170 -6.021 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.516 -7.827 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.845 -7.214 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.225 -8.764 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.855 -7.812 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.645 -8.712 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.225 -7.130 -0.515 1.00 0.00 H new ATOM 392 N PRO A 33 -8.954 -4.640 0.237 1.00 0.00 N ATOM 393 CA PRO A 33 -8.246 -4.333 1.483 1.00 0.00 C ATOM 394 C PRO A 33 -8.480 -5.435 2.521 1.00 0.00 C ATOM 395 O PRO A 33 -7.727 -5.583 3.471 1.00 0.00 O ATOM 396 CB PRO A 33 -8.865 -3.007 1.942 1.00 0.00 C ATOM 397 CG PRO A 33 -10.186 -2.936 1.264 1.00 0.00 C ATOM 398 CD PRO A 33 -10.021 -3.651 -0.046 1.00 0.00 C ATOM 0 HA PRO A 33 -7.166 -4.266 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.977 -2.979 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.235 -2.162 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.961 -3.406 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.488 -1.901 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.946 -4.136 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.734 -2.967 -0.844 1.00 0.00 H new ATOM 406 N ALA A 34 -9.516 -6.224 2.294 1.00 0.00 N ATOM 407 CA ALA A 34 -9.857 -7.322 3.172 1.00 0.00 C ATOM 408 C ALA A 34 -8.893 -8.490 2.980 1.00 0.00 C ATOM 409 O ALA A 34 -8.293 -8.984 3.927 1.00 0.00 O ATOM 410 CB ALA A 34 -11.280 -7.773 2.887 1.00 0.00 C ATOM 0 H ALA A 34 -10.142 -6.119 1.496 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.779 -6.982 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.539 -8.600 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.966 -6.943 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.357 -8.099 1.850 1.00 0.00 H new ATOM 416 N THR A 35 -8.690 -8.870 1.738 1.00 0.00 N ATOM 417 CA THR A 35 -7.929 -10.051 1.388 1.00 0.00 C ATOM 418 C THR A 35 -6.453 -9.770 1.121 1.00 0.00 C ATOM 419 O THR A 35 -5.768 -10.572 0.472 1.00 0.00 O ATOM 420 CB THR A 35 -8.578 -10.674 0.145 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.906 -9.625 -0.787 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.836 -11.442 0.512 1.00 0.00 C ATOM 0 H THR A 35 -9.053 -8.362 0.932 1.00 0.00 H new ATOM 0 HA THR A 35 -7.950 -10.731 2.239 1.00 0.00 H new ATOM 0 HB THR A 35 -7.874 -11.373 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.751 -9.940 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.275 -11.873 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.584 -12.240 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.553 -10.765 0.977 1.00 0.00 H new ATOM 430 N ARG A 36 -5.941 -8.660 1.624 1.00 0.00 N ATOM 431 CA ARG A 36 -4.550 -8.357 1.408 1.00 0.00 C ATOM 432 C ARG A 36 -3.596 -9.238 2.230 1.00 0.00 C ATOM 433 O ARG A 36 -3.813 -9.481 3.413 1.00 0.00 O ATOM 434 CB ARG A 36 -4.256 -6.850 1.440 1.00 0.00 C ATOM 435 CG ARG A 36 -4.835 -5.997 2.563 1.00 0.00 C ATOM 436 CD ARG A 36 -4.414 -6.414 3.960 1.00 0.00 C ATOM 437 NE ARG A 36 -4.603 -5.311 4.892 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.176 -5.287 6.157 1.00 0.00 C ATOM 439 NH1 ARG A 36 -3.970 -6.424 6.815 1.00 0.00 N ATOM 440 NH2 ARG A 36 -4.024 -4.121 6.776 1.00 0.00 N ATOM 0 H ARG A 36 -6.459 -7.972 2.171 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.326 -8.645 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.173 -6.729 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.604 -6.429 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.538 -4.961 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.923 -6.030 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.998 -7.276 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.368 -6.721 3.956 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.102 -4.490 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.138 -7.318 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.644 -6.402 7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.233 -3.252 6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.698 -4.095 7.742 1.00 0.00 H new ATOM 454 N VAL A 37 -2.580 -9.756 1.569 1.00 0.00 N ATOM 455 CA VAL A 37 -1.600 -10.667 2.154 1.00 0.00 C ATOM 456 C VAL A 37 -0.310 -9.896 2.372 1.00 0.00 C ATOM 457 O VAL A 37 0.121 -9.176 1.477 1.00 0.00 O ATOM 458 CB VAL A 37 -1.308 -11.860 1.198 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.327 -12.856 1.799 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.588 -12.561 0.767 1.00 0.00 C ATOM 0 H VAL A 37 -2.403 -9.554 0.585 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.994 -11.060 3.091 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.839 -11.434 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.156 -13.669 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.617 -12.354 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.739 -13.259 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.343 -13.388 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.106 -12.944 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.233 -11.853 0.246 1.00 0.00 H new ATOM 470 N LEU A 38 0.277 -10.040 3.540 1.00 0.00 N ATOM 471 CA LEU A 38 1.491 -9.339 3.916 1.00 0.00 C ATOM 472 C LEU A 38 2.657 -9.865 3.085 1.00 0.00 C ATOM 473 O LEU A 38 3.006 -11.052 3.148 1.00 0.00 O ATOM 474 CB LEU A 38 1.739 -9.543 5.427 1.00 0.00 C ATOM 475 CG LEU A 38 2.762 -8.646 6.163 1.00 0.00 C ATOM 476 CD1 LEU A 38 4.200 -8.826 5.703 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.362 -7.195 6.077 1.00 0.00 C ATOM 0 H LEU A 38 -0.080 -10.657 4.269 1.00 0.00 H new ATOM 0 HA LEU A 38 1.393 -8.271 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.781 -9.427 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.051 -10.578 5.569 1.00 0.00 H new ATOM 0 HG LEU A 38 2.738 -8.975 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.850 -8.160 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.508 -9.859 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.275 -8.589 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.096 -6.583 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.318 -6.891 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.383 -7.060 6.536 1.00 0.00 H new ATOM 489 N LEU A 39 3.198 -9.003 2.259 1.00 0.00 N ATOM 490 CA LEU A 39 4.360 -9.330 1.470 1.00 0.00 C ATOM 491 C LEU A 39 5.621 -8.946 2.220 1.00 0.00 C ATOM 492 O LEU A 39 6.461 -9.798 2.527 1.00 0.00 O ATOM 493 CB LEU A 39 4.298 -8.631 0.114 1.00 0.00 C ATOM 494 CG LEU A 39 3.142 -9.058 -0.784 1.00 0.00 C ATOM 495 CD1 LEU A 39 3.101 -8.213 -2.039 1.00 0.00 C ATOM 496 CD2 LEU A 39 3.282 -10.523 -1.140 1.00 0.00 C ATOM 0 H LEU A 39 2.846 -8.057 2.115 1.00 0.00 H new ATOM 0 HA LEU A 39 4.377 -10.406 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.230 -7.556 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.234 -8.813 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 39 2.207 -8.911 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.269 -8.533 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.969 -7.166 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.036 -8.331 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.453 -10.822 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.224 -10.681 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.270 -11.122 -0.229 1.00 0.00 H new ATOM 508 N MET A 40 5.732 -7.657 2.525 1.00 0.00 N ATOM 509 CA MET A 40 6.902 -7.086 3.199 1.00 0.00 C ATOM 510 C MET A 40 6.675 -5.634 3.572 1.00 0.00 C ATOM 511 O MET A 40 5.747 -4.985 3.080 1.00 0.00 O ATOM 512 CB MET A 40 8.153 -7.202 2.322 1.00 0.00 C ATOM 513 CG MET A 40 8.004 -6.540 0.977 1.00 0.00 C ATOM 514 SD MET A 40 9.436 -6.769 -0.097 1.00 0.00 S ATOM 515 CE MET A 40 10.712 -5.917 0.822 1.00 0.00 C ATOM 0 H MET A 40 5.009 -6.970 2.311 1.00 0.00 H new ATOM 0 HA MET A 40 7.055 -7.659 4.114 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.998 -6.756 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.389 -8.256 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.119 -6.938 0.480 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.835 -5.473 1.122 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.585 -5.774 0.185 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.339 -4.947 1.149 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.991 -6.510 1.693 1.00 0.00 H new ATOM 525 N TYR A 41 7.529 -5.150 4.438 1.00 0.00 N ATOM 526 CA TYR A 41 7.525 -3.773 4.903 1.00 0.00 C ATOM 527 C TYR A 41 8.642 -2.992 4.235 1.00 0.00 C ATOM 528 O TYR A 41 9.716 -3.529 3.961 1.00 0.00 O ATOM 529 CB TYR A 41 7.735 -3.697 6.420 1.00 0.00 C ATOM 530 CG TYR A 41 6.545 -4.051 7.282 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.837 -3.046 7.922 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.136 -5.363 7.472 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.756 -3.332 8.727 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.049 -5.657 8.276 1.00 0.00 C ATOM 535 CZ TYR A 41 4.364 -4.635 8.901 1.00 0.00 C ATOM 536 OH TYR A 41 3.285 -4.917 9.704 1.00 0.00 O ATOM 0 H TYR A 41 8.270 -5.714 4.855 1.00 0.00 H new ATOM 0 HA TYR A 41 6.554 -3.348 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.558 -4.361 6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.049 -2.684 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.139 -2.018 7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.673 -6.165 6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.220 -2.534 9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.738 -6.682 8.414 1.00 0.00 H new ATOM 0 HH TYR A 41 3.135 -5.885 9.723 1.00 0.00 H new ATOM 546 N VAL A 42 8.371 -1.752 3.922 1.00 0.00 N ATOM 547 CA VAL A 42 9.365 -0.849 3.390 1.00 0.00 C ATOM 548 C VAL A 42 9.304 0.398 4.237 1.00 0.00 C ATOM 549 O VAL A 42 8.225 0.907 4.486 1.00 0.00 O ATOM 550 CB VAL A 42 9.098 -0.468 1.920 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.240 0.366 1.350 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.901 -1.706 1.090 1.00 0.00 C ATOM 0 H VAL A 42 7.447 -1.334 4.029 1.00 0.00 H new ATOM 0 HA VAL A 42 10.341 -1.334 3.416 1.00 0.00 H new ATOM 0 HB VAL A 42 8.189 0.133 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.023 0.619 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.348 1.281 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.167 -0.205 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.713 -1.423 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.797 -2.324 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.050 -2.269 1.473 1.00 0.00 H new ATOM 562 N ARG A 43 10.415 0.868 4.719 1.00 0.00 N ATOM 563 CA ARG A 43 10.414 2.075 5.506 1.00 0.00 C ATOM 564 C ARG A 43 10.207 3.223 4.519 1.00 0.00 C ATOM 565 O ARG A 43 10.801 3.200 3.434 1.00 0.00 O ATOM 566 CB ARG A 43 11.750 2.227 6.246 1.00 0.00 C ATOM 567 CG ARG A 43 11.758 3.294 7.337 1.00 0.00 C ATOM 568 CD ARG A 43 10.937 2.867 8.554 1.00 0.00 C ATOM 569 NE ARG A 43 11.496 1.676 9.212 1.00 0.00 N ATOM 570 CZ ARG A 43 10.873 0.905 10.117 1.00 0.00 C ATOM 571 NH1 ARG A 43 9.599 1.117 10.432 1.00 0.00 N ATOM 572 NH2 ARG A 43 11.526 -0.113 10.670 1.00 0.00 N ATOM 0 H ARG A 43 11.331 0.441 4.585 1.00 0.00 H new ATOM 0 HA ARG A 43 9.630 2.062 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.013 1.268 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.527 2.464 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.785 3.493 7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.358 4.226 6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.896 3.689 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.912 2.662 8.245 1.00 0.00 H new ATOM 0 HE ARG A 43 12.447 1.411 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.082 1.874 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.139 0.523 11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.493 -0.303 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.060 -0.704 11.359 1.00 0.00 H new ATOM 586 N ILE A 44 9.317 4.157 4.848 1.00 0.00 N ATOM 587 CA ILE A 44 9.058 5.336 3.970 1.00 0.00 C ATOM 588 C ILE A 44 10.382 6.008 3.575 1.00 0.00 C ATOM 589 O ILE A 44 11.176 6.422 4.440 1.00 0.00 O ATOM 590 CB ILE A 44 8.214 6.468 4.633 1.00 0.00 C ATOM 591 CG1 ILE A 44 6.858 6.006 5.166 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.021 7.643 3.672 1.00 0.00 C ATOM 593 CD1 ILE A 44 5.731 5.723 4.203 1.00 0.00 C ATOM 0 H ILE A 44 8.760 4.137 5.702 1.00 0.00 H new ATOM 0 HA ILE A 44 8.507 4.920 3.127 1.00 0.00 H new ATOM 0 HB ILE A 44 8.794 6.788 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.028 5.097 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.507 6.766 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.429 8.418 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.994 8.050 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.502 7.300 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.848 5.407 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.500 6.626 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.030 4.931 3.516 1.00 0.00 H new ATOM 605 N GLY A 45 10.617 6.070 2.291 1.00 0.00 N ATOM 606 CA GLY A 45 11.769 6.756 1.745 1.00 0.00 C ATOM 607 C GLY A 45 12.729 5.799 1.094 1.00 0.00 C ATOM 608 O GLY A 45 13.691 6.205 0.436 1.00 0.00 O ATOM 0 H GLY A 45 10.014 5.645 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.440 7.495 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.280 7.299 2.540 1.00 0.00 H new ATOM 612 N ASN A 46 12.460 4.531 1.265 1.00 0.00 N ATOM 613 CA ASN A 46 13.336 3.500 0.765 1.00 0.00 C ATOM 614 C ASN A 46 12.706 2.732 -0.383 1.00 0.00 C ATOM 615 O ASN A 46 11.495 2.788 -0.621 1.00 0.00 O ATOM 616 CB ASN A 46 13.696 2.571 1.913 1.00 0.00 C ATOM 617 CG ASN A 46 14.734 1.508 1.584 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.613 1.723 0.747 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.666 0.371 2.229 1.00 0.00 N ATOM 0 H ASN A 46 11.633 4.184 1.751 1.00 0.00 H new ATOM 0 HA ASN A 46 14.239 3.963 0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.065 3.172 2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.788 2.076 2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.350 -0.362 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.929 0.218 2.917 1.00 0.00 H new ATOM 626 N THR A 47 13.543 2.038 -1.085 1.00 0.00 N ATOM 627 CA THR A 47 13.181 1.201 -2.189 1.00 0.00 C ATOM 628 C THR A 47 13.147 -0.246 -1.730 1.00 0.00 C ATOM 629 O THR A 47 13.715 -0.603 -0.686 1.00 0.00 O ATOM 630 CB THR A 47 14.186 1.363 -3.341 1.00 0.00 C ATOM 631 OG1 THR A 47 15.520 1.348 -2.814 1.00 0.00 O ATOM 632 CG2 THR A 47 13.958 2.651 -4.112 1.00 0.00 C ATOM 0 H THR A 47 14.546 2.038 -0.897 1.00 0.00 H new ATOM 0 HA THR A 47 12.195 1.494 -2.550 1.00 0.00 H new ATOM 0 HB THR A 47 14.043 0.532 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.162 1.449 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.689 2.727 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.953 2.650 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.069 3.502 -3.440 1.00 0.00 H new ATOM 640 N ALA A 48 12.459 -1.060 -2.476 1.00 0.00 N ATOM 641 CA ALA A 48 12.361 -2.466 -2.147 1.00 0.00 C ATOM 642 C ALA A 48 12.054 -3.301 -3.357 1.00 0.00 C ATOM 643 O ALA A 48 11.452 -2.825 -4.311 1.00 0.00 O ATOM 644 CB ALA A 48 11.299 -2.704 -1.097 1.00 0.00 C ATOM 0 H ALA A 48 11.955 -0.782 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 48 13.333 -2.765 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.246 -3.768 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.551 -2.150 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.334 -2.365 -1.473 1.00 0.00 H new ATOM 650 N THR A 49 12.493 -4.528 -3.316 1.00 0.00 N ATOM 651 CA THR A 49 12.208 -5.490 -4.341 1.00 0.00 C ATOM 652 C THR A 49 11.182 -6.469 -3.763 1.00 0.00 C ATOM 653 O THR A 49 11.485 -7.252 -2.862 1.00 0.00 O ATOM 654 CB THR A 49 13.508 -6.195 -4.742 1.00 0.00 C ATOM 655 OG1 THR A 49 14.495 -5.167 -4.931 1.00 0.00 O ATOM 656 CG2 THR A 49 13.332 -6.955 -6.047 1.00 0.00 C ATOM 0 H THR A 49 13.068 -4.893 -2.557 1.00 0.00 H new ATOM 0 HA THR A 49 11.800 -5.026 -5.239 1.00 0.00 H new ATOM 0 HB THR A 49 13.801 -6.909 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.348 -5.576 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.268 -7.447 -6.311 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.549 -7.704 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.052 -6.259 -6.838 1.00 0.00 H new ATOM 664 N ILE A 50 9.971 -6.383 -4.261 1.00 0.00 N ATOM 665 CA ILE A 50 8.843 -7.144 -3.756 1.00 0.00 C ATOM 666 C ILE A 50 8.680 -8.376 -4.598 1.00 0.00 C ATOM 667 O ILE A 50 8.456 -8.265 -5.783 1.00 0.00 O ATOM 668 CB ILE A 50 7.509 -6.374 -3.960 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.614 -4.882 -3.635 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.392 -7.018 -3.146 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.005 -4.579 -2.221 1.00 0.00 C ATOM 0 H ILE A 50 9.734 -5.772 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 50 9.035 -7.346 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 50 7.273 -6.443 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.344 -4.428 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.654 -4.410 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.465 -6.466 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.257 -8.051 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.654 -6.998 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.055 -3.499 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.264 -4.999 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.981 -5.018 -2.011 1.00 0.00 H new ATOM 683 N THR A 51 8.814 -9.528 -4.032 1.00 0.00 N ATOM 684 CA THR A 51 8.504 -10.695 -4.801 1.00 0.00 C ATOM 685 C THR A 51 7.073 -11.097 -4.440 1.00 0.00 C ATOM 686 O THR A 51 6.758 -11.302 -3.267 1.00 0.00 O ATOM 687 CB THR A 51 9.485 -11.825 -4.476 1.00 0.00 C ATOM 688 OG1 THR A 51 10.830 -11.335 -4.644 1.00 0.00 O ATOM 689 CG2 THR A 51 9.240 -13.022 -5.389 1.00 0.00 C ATOM 0 H THR A 51 9.125 -9.690 -3.074 1.00 0.00 H new ATOM 0 HA THR A 51 8.589 -10.494 -5.869 1.00 0.00 H new ATOM 0 HB THR A 51 9.338 -12.151 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.467 -12.050 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.946 -13.816 -5.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.222 -13.385 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.377 -12.721 -6.428 1.00 0.00 H new ATOM 697 N ALA A 52 6.223 -11.187 -5.433 1.00 0.00 N ATOM 698 CA ALA A 52 4.844 -11.565 -5.250 1.00 0.00 C ATOM 699 C ALA A 52 4.361 -12.261 -6.500 1.00 0.00 C ATOM 700 O ALA A 52 4.546 -11.747 -7.598 1.00 0.00 O ATOM 701 CB ALA A 52 3.986 -10.345 -4.962 1.00 0.00 C ATOM 0 H ALA A 52 6.473 -10.997 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 52 4.764 -12.239 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.949 -10.653 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.340 -9.857 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.052 -9.648 -5.798 1.00 0.00 H new ATOM 707 N ARG A 53 3.815 -13.452 -6.320 1.00 0.00 N ATOM 708 CA ARG A 53 3.245 -14.290 -7.383 1.00 0.00 C ATOM 709 C ARG A 53 4.266 -14.627 -8.450 1.00 0.00 C ATOM 710 O ARG A 53 3.925 -14.852 -9.617 1.00 0.00 O ATOM 711 CB ARG A 53 1.995 -13.661 -7.994 1.00 0.00 C ATOM 712 CG ARG A 53 0.946 -13.329 -6.964 1.00 0.00 C ATOM 713 CD ARG A 53 -0.332 -12.847 -7.609 1.00 0.00 C ATOM 714 NE ARG A 53 -1.281 -12.349 -6.616 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.590 -12.229 -6.800 1.00 0.00 C ATOM 716 NH1 ARG A 53 -3.147 -12.678 -7.906 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.338 -11.683 -5.860 1.00 0.00 N ATOM 0 H ARG A 53 3.750 -13.885 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 53 2.945 -15.227 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.274 -12.752 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.572 -14.345 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.738 -14.211 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.327 -12.561 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.104 -12.056 -8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.787 -13.663 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.908 -12.071 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.572 -13.119 -8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.153 -12.584 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.910 -11.354 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.344 -11.590 -5.999 1.00 0.00 H new ATOM 731 N GLY A 54 5.503 -14.709 -8.022 1.00 0.00 N ATOM 732 CA GLY A 54 6.587 -15.018 -8.914 1.00 0.00 C ATOM 733 C GLY A 54 6.966 -13.833 -9.766 1.00 0.00 C ATOM 734 O GLY A 54 7.314 -13.977 -10.937 1.00 0.00 O ATOM 0 H GLY A 54 5.782 -14.564 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.452 -15.342 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.303 -15.852 -9.556 1.00 0.00 H new ATOM 738 N HIS A 55 6.804 -12.654 -9.210 1.00 0.00 N ATOM 739 CA HIS A 55 7.243 -11.430 -9.866 1.00 0.00 C ATOM 740 C HIS A 55 7.981 -10.577 -8.859 1.00 0.00 C ATOM 741 O HIS A 55 7.490 -10.391 -7.747 1.00 0.00 O ATOM 742 CB HIS A 55 6.069 -10.572 -10.371 1.00 0.00 C ATOM 743 CG HIS A 55 5.099 -11.202 -11.320 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.151 -11.055 -12.685 1.00 0.00 N ATOM 745 CD2 HIS A 55 3.992 -11.934 -11.070 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.100 -11.679 -13.213 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.358 -12.234 -12.267 1.00 0.00 N ATOM 0 H HIS A 55 6.369 -12.510 -8.299 1.00 0.00 H new ATOM 0 HA HIS A 55 7.861 -11.732 -10.712 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.510 -10.226 -9.502 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.485 -9.688 -10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.653 -12.238 -10.091 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.882 -11.726 -14.270 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.499 -12.770 -12.392 1.00 0.00 H new ATOM 755 N GLU A 56 9.159 -10.104 -9.207 1.00 0.00 N ATOM 756 CA GLU A 56 9.840 -9.138 -8.382 1.00 0.00 C ATOM 757 C GLU A 56 9.528 -7.739 -8.905 1.00 0.00 C ATOM 758 O GLU A 56 9.743 -7.445 -10.088 1.00 0.00 O ATOM 759 CB GLU A 56 11.360 -9.317 -8.337 1.00 0.00 C ATOM 760 CG GLU A 56 11.866 -10.575 -7.655 1.00 0.00 C ATOM 761 CD GLU A 56 11.791 -11.800 -8.519 1.00 0.00 C ATOM 762 OE1 GLU A 56 12.660 -11.952 -9.405 1.00 0.00 O ATOM 763 OE2 GLU A 56 10.909 -12.647 -8.322 1.00 0.00 O ATOM 0 H GLU A 56 9.661 -10.374 -10.053 1.00 0.00 H new ATOM 0 HA GLU A 56 9.477 -9.287 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.737 -9.306 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.792 -8.455 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.900 -10.420 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.286 -10.745 -6.748 1.00 0.00 H new ATOM 770 N PHE A 57 9.010 -6.902 -8.041 1.00 0.00 N ATOM 771 CA PHE A 57 8.661 -5.548 -8.364 1.00 0.00 C ATOM 772 C PHE A 57 9.569 -4.643 -7.565 1.00 0.00 C ATOM 773 O PHE A 57 9.545 -4.691 -6.346 1.00 0.00 O ATOM 774 CB PHE A 57 7.221 -5.277 -7.918 1.00 0.00 C ATOM 775 CG PHE A 57 6.151 -6.144 -8.522 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.657 -7.236 -7.825 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.617 -5.851 -9.767 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.650 -8.016 -8.356 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.614 -6.633 -10.307 1.00 0.00 C ATOM 780 CZ PHE A 57 4.130 -7.714 -9.597 1.00 0.00 C ATOM 0 H PHE A 57 8.816 -7.153 -7.072 1.00 0.00 H new ATOM 0 HA PHE A 57 8.759 -5.376 -9.436 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.175 -5.385 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.985 -4.237 -8.145 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.065 -7.479 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.989 -5.002 -10.321 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.270 -8.861 -7.801 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.210 -6.400 -11.281 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.343 -8.324 -10.014 1.00 0.00 H new ATOM 790 N GLU A 58 10.380 -3.848 -8.207 1.00 0.00 N ATOM 791 CA GLU A 58 11.206 -2.954 -7.449 1.00 0.00 C ATOM 792 C GLU A 58 10.469 -1.635 -7.394 1.00 0.00 C ATOM 793 O GLU A 58 10.116 -1.062 -8.425 1.00 0.00 O ATOM 794 CB GLU A 58 12.609 -2.810 -8.023 1.00 0.00 C ATOM 795 CG GLU A 58 13.512 -1.985 -7.142 1.00 0.00 C ATOM 796 CD GLU A 58 14.855 -1.732 -7.762 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.867 -2.293 -7.292 1.00 0.00 O ATOM 798 OE2 GLU A 58 14.922 -0.982 -8.757 1.00 0.00 O ATOM 0 H GLU A 58 10.485 -3.800 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 58 11.370 -3.350 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.045 -3.799 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.549 -2.349 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.030 -1.031 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.647 -2.495 -6.188 1.00 0.00 H new ATOM 805 N VAL A 59 10.197 -1.210 -6.202 1.00 0.00 N ATOM 806 CA VAL A 59 9.413 -0.029 -5.914 1.00 0.00 C ATOM 807 C VAL A 59 10.209 0.924 -5.077 1.00 0.00 C ATOM 808 O VAL A 59 11.282 0.587 -4.562 1.00 0.00 O ATOM 809 CB VAL A 59 8.173 -0.406 -5.086 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.191 -1.230 -5.878 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.623 -1.194 -3.894 1.00 0.00 C ATOM 0 H VAL A 59 10.523 -1.688 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 59 9.130 0.421 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 59 7.668 0.513 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.332 -1.473 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.858 -0.663 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.671 -2.151 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.757 -1.471 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.137 -2.096 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.303 -0.589 -3.294 1.00 0.00 H new ATOM 821 N GLU A 60 9.649 2.079 -4.926 1.00 0.00 N ATOM 822 CA GLU A 60 10.176 3.109 -4.098 1.00 0.00 C ATOM 823 C GLU A 60 9.025 3.579 -3.252 1.00 0.00 C ATOM 824 O GLU A 60 8.040 4.116 -3.777 1.00 0.00 O ATOM 825 CB GLU A 60 10.746 4.257 -4.937 1.00 0.00 C ATOM 826 CG GLU A 60 11.388 5.368 -4.113 1.00 0.00 C ATOM 827 CD GLU A 60 12.025 6.428 -4.976 1.00 0.00 C ATOM 828 OE1 GLU A 60 13.227 6.305 -5.320 1.00 0.00 O ATOM 829 OE2 GLU A 60 11.352 7.405 -5.353 1.00 0.00 O ATOM 0 H GLU A 60 8.781 2.339 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 60 11.001 2.744 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.488 3.855 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.946 4.683 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.632 5.828 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.142 4.938 -3.454 1.00 0.00 H new ATOM 836 N ALA A 61 9.102 3.319 -1.965 1.00 0.00 N ATOM 837 CA ALA A 61 8.070 3.771 -1.062 1.00 0.00 C ATOM 838 C ALA A 61 8.355 5.224 -0.808 1.00 0.00 C ATOM 839 O ALA A 61 9.130 5.573 0.077 1.00 0.00 O ATOM 840 CB ALA A 61 8.067 2.977 0.233 1.00 0.00 C ATOM 0 H ALA A 61 9.862 2.801 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 61 7.081 3.627 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.276 3.348 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.892 1.924 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.030 3.089 0.731 1.00 0.00 H new ATOM 846 N LYS A 62 7.787 6.043 -1.653 1.00 0.00 N ATOM 847 CA LYS A 62 8.046 7.459 -1.662 1.00 0.00 C ATOM 848 C LYS A 62 7.565 8.194 -0.418 1.00 0.00 C ATOM 849 O LYS A 62 8.344 8.854 0.264 1.00 0.00 O ATOM 850 CB LYS A 62 7.475 8.097 -2.930 1.00 0.00 C ATOM 851 CG LYS A 62 6.005 7.824 -3.145 1.00 0.00 C ATOM 852 CD LYS A 62 5.453 8.639 -4.288 1.00 0.00 C ATOM 853 CE LYS A 62 3.946 8.490 -4.378 1.00 0.00 C ATOM 854 NZ LYS A 62 3.369 9.393 -5.390 1.00 0.00 N ATOM 0 H LYS A 62 7.122 5.741 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 62 9.131 7.564 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.631 9.175 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.032 7.730 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.857 6.763 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.454 8.054 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.711 9.689 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.911 8.318 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.696 7.458 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.501 8.701 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.338 9.263 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.586 10.379 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.776 9.175 -6.322 1.00 0.00 H new ATOM 868 N ASP A 63 6.302 8.063 -0.116 1.00 0.00 N ATOM 869 CA ASP A 63 5.692 8.821 0.950 1.00 0.00 C ATOM 870 C ASP A 63 4.557 8.026 1.530 1.00 0.00 C ATOM 871 O ASP A 63 4.259 6.939 1.039 1.00 0.00 O ATOM 872 CB ASP A 63 5.180 10.190 0.465 1.00 0.00 C ATOM 873 CG ASP A 63 3.990 10.128 -0.478 1.00 0.00 C ATOM 874 OD1 ASP A 63 4.168 10.170 -1.708 1.00 0.00 O ATOM 875 OD2 ASP A 63 2.849 10.076 -0.005 1.00 0.00 O ATOM 0 H ASP A 63 5.665 7.430 -0.599 1.00 0.00 H new ATOM 0 HA ASP A 63 6.450 9.009 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.906 10.788 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.996 10.711 -0.036 1.00 0.00 H new ATOM 880 N GLN A 64 3.903 8.607 2.516 1.00 0.00 N ATOM 881 CA GLN A 64 2.811 7.994 3.262 1.00 0.00 C ATOM 882 C GLN A 64 1.547 7.659 2.458 1.00 0.00 C ATOM 883 O GLN A 64 0.619 7.047 2.990 1.00 0.00 O ATOM 884 CB GLN A 64 2.527 8.771 4.553 1.00 0.00 C ATOM 885 CG GLN A 64 2.455 10.292 4.413 1.00 0.00 C ATOM 886 CD GLN A 64 1.279 10.813 3.617 1.00 0.00 C ATOM 887 OE1 GLN A 64 0.191 10.233 3.616 1.00 0.00 O ATOM 888 NE2 GLN A 64 1.497 11.895 2.918 1.00 0.00 N ATOM 0 H GLN A 64 4.121 9.551 2.834 1.00 0.00 H new ATOM 0 HA GLN A 64 3.174 7.002 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.582 8.418 4.967 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.303 8.528 5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.421 10.731 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.374 10.641 3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.412 12.345 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.752 12.290 2.344 1.00 0.00 H new ATOM 897 N ASN A 65 1.474 8.071 1.205 1.00 0.00 N ATOM 898 CA ASN A 65 0.375 7.629 0.356 1.00 0.00 C ATOM 899 C ASN A 65 0.624 6.172 -0.024 1.00 0.00 C ATOM 900 O ASN A 65 -0.305 5.404 -0.269 1.00 0.00 O ATOM 901 CB ASN A 65 0.222 8.515 -0.887 1.00 0.00 C ATOM 902 CG ASN A 65 -0.888 8.049 -1.816 1.00 0.00 C ATOM 903 OD1 ASN A 65 -0.656 7.272 -2.749 1.00 0.00 O ATOM 904 ND2 ASN A 65 -2.095 8.521 -1.592 1.00 0.00 N ATOM 0 H ASN A 65 2.144 8.696 0.758 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.564 7.714 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.020 9.539 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.164 8.529 -1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.870 8.247 -2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.256 9.161 -0.814 1.00 0.00 H new ATOM 911 N CYS A 66 1.906 5.811 -0.028 1.00 0.00 N ATOM 912 CA CYS A 66 2.390 4.464 -0.307 1.00 0.00 C ATOM 913 C CYS A 66 1.866 3.880 -1.608 1.00 0.00 C ATOM 914 O CYS A 66 1.498 2.713 -1.681 1.00 0.00 O ATOM 915 CB CYS A 66 2.106 3.533 0.869 1.00 0.00 C ATOM 916 SG CYS A 66 3.010 3.974 2.391 1.00 0.00 S ATOM 0 H CYS A 66 2.659 6.470 0.169 1.00 0.00 H new ATOM 0 HA CYS A 66 3.468 4.552 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.036 3.542 1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.367 2.514 0.585 1.00 0.00 H new ATOM 921 N LYS A 67 1.830 4.690 -2.640 1.00 0.00 N ATOM 922 CA LYS A 67 1.434 4.214 -3.913 1.00 0.00 C ATOM 923 C LYS A 67 2.546 3.347 -4.455 1.00 0.00 C ATOM 924 O LYS A 67 3.721 3.733 -4.392 1.00 0.00 O ATOM 925 CB LYS A 67 1.213 5.370 -4.866 1.00 0.00 C ATOM 926 CG LYS A 67 0.277 5.078 -6.026 1.00 0.00 C ATOM 927 CD LYS A 67 -1.151 4.965 -5.515 1.00 0.00 C ATOM 928 CE LYS A 67 -1.621 3.537 -5.262 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.994 3.520 -4.720 1.00 0.00 N ATOM 0 H LYS A 67 2.073 5.680 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 67 0.505 3.652 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.816 6.214 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.178 5.680 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.346 5.871 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.571 4.152 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.238 5.532 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.820 5.432 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.586 2.969 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.944 3.046 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.291 2.537 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.019 4.043 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.641 3.968 -5.400 1.00 0.00 H new ATOM 943 N VAL A 68 2.179 2.194 -4.949 1.00 0.00 N ATOM 944 CA VAL A 68 3.134 1.300 -5.552 1.00 0.00 C ATOM 945 C VAL A 68 3.631 1.895 -6.866 1.00 0.00 C ATOM 946 O VAL A 68 2.946 1.891 -7.891 1.00 0.00 O ATOM 947 CB VAL A 68 2.588 -0.151 -5.727 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.237 -0.184 -6.441 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.598 -1.016 -6.471 1.00 0.00 C ATOM 0 H VAL A 68 1.219 1.850 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 68 3.979 1.201 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 68 2.435 -0.555 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.902 -1.217 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.506 0.382 -5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.338 0.259 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.200 -2.024 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.788 -0.589 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.530 -1.055 -5.907 1.00 0.00 H new ATOM 959 N ILE A 69 4.788 2.487 -6.795 1.00 0.00 N ATOM 960 CA ILE A 69 5.419 3.063 -7.941 1.00 0.00 C ATOM 961 C ILE A 69 6.704 2.323 -8.161 1.00 0.00 C ATOM 962 O ILE A 69 7.569 2.254 -7.275 1.00 0.00 O ATOM 963 CB ILE A 69 5.635 4.586 -7.771 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.262 5.260 -7.697 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.466 5.164 -8.917 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.287 6.733 -7.388 1.00 0.00 C ATOM 0 H ILE A 69 5.322 2.583 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 69 4.781 2.963 -8.819 1.00 0.00 H new ATOM 0 HB ILE A 69 6.192 4.774 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.751 5.113 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.668 4.755 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.598 6.235 -8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.441 4.678 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.952 4.992 -9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.267 7.116 -7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.764 6.894 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.848 7.257 -8.161 1.00 0.00 H new ATOM 978 N LEU A 70 6.791 1.716 -9.311 1.00 0.00 N ATOM 979 CA LEU A 70 7.928 0.930 -9.651 1.00 0.00 C ATOM 980 C LEU A 70 9.040 1.773 -10.129 1.00 0.00 C ATOM 981 O LEU A 70 8.862 2.723 -10.892 1.00 0.00 O ATOM 982 CB LEU A 70 7.647 -0.101 -10.730 1.00 0.00 C ATOM 983 CG LEU A 70 6.679 -1.217 -10.401 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.101 -2.013 -9.204 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.255 -0.739 -10.283 1.00 0.00 C ATOM 0 H LEU A 70 6.073 1.756 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 70 8.195 0.414 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.267 0.425 -11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.596 -0.554 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 70 6.710 -1.894 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.371 -2.799 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.077 -2.462 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.163 -1.358 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.607 -1.582 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.186 0.006 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.941 -0.294 -11.227 1.00 0.00 H new ATOM 997 N THR A 71 10.187 1.323 -9.763 1.00 0.00 N ATOM 998 CA THR A 71 11.440 1.983 -10.133 1.00 0.00 C ATOM 999 C THR A 71 11.713 1.751 -11.610 1.00 0.00 C ATOM 1000 O THR A 71 12.426 2.502 -12.279 1.00 0.00 O ATOM 1001 CB THR A 71 12.586 1.374 -9.340 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.646 -0.022 -9.648 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.302 1.526 -7.873 1.00 0.00 C ATOM 0 H THR A 71 10.310 0.484 -9.195 1.00 0.00 H new ATOM 0 HA THR A 71 11.358 3.049 -9.923 1.00 0.00 H new ATOM 0 HB THR A 71 13.525 1.868 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.492 -0.393 -9.322 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.119 1.092 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.208 2.584 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.372 1.013 -7.627 1.00 0.00 H new ATOM 1011 N ASN A 72 11.054 0.719 -12.115 1.00 0.00 N ATOM 1012 CA ASN A 72 11.229 0.258 -13.482 1.00 0.00 C ATOM 1013 C ASN A 72 10.440 1.152 -14.421 1.00 0.00 C ATOM 1014 O ASN A 72 10.453 0.963 -15.636 1.00 0.00 O ATOM 1015 CB ASN A 72 10.725 -1.184 -13.660 1.00 0.00 C ATOM 1016 CG ASN A 72 11.430 -2.289 -12.881 1.00 0.00 C ATOM 1017 OD1 ASN A 72 11.915 -2.020 -11.695 1.00 0.00 O flip ATOM 1018 ND2 ASN A 72 11.501 -3.416 -13.348 1.00 0.00 N flip ATOM 0 H ASN A 72 10.377 0.174 -11.582 1.00 0.00 H new ATOM 0 HA ASN A 72 12.295 0.293 -13.709 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.670 -1.205 -13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.786 -1.431 -14.720 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.118 -3.610 -14.273 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.943 -4.163 -12.812 1.00 0.00 H new ATOM 1025 N GLY A 73 9.680 2.068 -13.839 1.00 0.00 N ATOM 1026 CA GLY A 73 8.899 3.017 -14.621 1.00 0.00 C ATOM 1027 C GLY A 73 7.660 2.330 -15.117 1.00 0.00 C ATOM 1028 O GLY A 73 7.021 2.724 -16.093 1.00 0.00 O ATOM 0 H GLY A 73 9.587 2.175 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.633 3.881 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.487 3.388 -15.461 1.00 0.00 H new ATOM 1032 N LYS A 74 7.356 1.275 -14.421 1.00 0.00 N ATOM 1033 CA LYS A 74 6.297 0.378 -14.737 1.00 0.00 C ATOM 1034 C LYS A 74 5.156 0.564 -13.783 1.00 0.00 C ATOM 1035 O LYS A 74 5.302 1.215 -12.746 1.00 0.00 O ATOM 1036 CB LYS A 74 6.862 -1.032 -14.597 1.00 0.00 C ATOM 1037 CG LYS A 74 8.019 -1.301 -15.531 1.00 0.00 C ATOM 1038 CD LYS A 74 7.604 -1.522 -16.970 1.00 0.00 C ATOM 1039 CE LYS A 74 8.824 -1.718 -17.855 1.00 0.00 C ATOM 1040 NZ LYS A 74 9.671 -0.496 -17.932 1.00 0.00 N ATOM 0 H LYS A 74 7.867 1.009 -13.579 1.00 0.00 H new ATOM 0 HA LYS A 74 5.923 0.558 -15.745 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.189 -1.186 -13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.070 -1.755 -14.791 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.712 -0.461 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.561 -2.179 -15.180 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.955 -2.396 -17.037 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.026 -0.668 -17.323 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.419 -2.546 -17.470 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.501 -1.997 -18.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.443 -0.651 -18.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.091 0.309 -18.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.072 -0.292 -16.994 1.00 0.00 H new ATOM 1054 N GLN A 75 4.042 0.021 -14.158 1.00 0.00 N ATOM 1055 CA GLN A 75 2.885 -0.034 -13.308 1.00 0.00 C ATOM 1056 C GLN A 75 2.733 -1.469 -12.860 1.00 0.00 C ATOM 1057 O GLN A 75 3.126 -2.397 -13.574 1.00 0.00 O ATOM 1058 CB GLN A 75 1.615 0.435 -14.013 1.00 0.00 C ATOM 1059 CG GLN A 75 1.622 1.899 -14.414 1.00 0.00 C ATOM 1060 CD GLN A 75 0.321 2.318 -15.066 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.357 1.517 -15.714 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -0.043 3.562 -14.904 1.00 0.00 N ATOM 0 H GLN A 75 3.904 -0.404 -15.075 1.00 0.00 H new ATOM 0 HA GLN A 75 3.027 0.640 -12.463 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.465 -0.172 -14.905 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.763 0.255 -13.357 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.800 2.515 -13.532 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.447 2.082 -15.102 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.542 4.198 -14.362 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.912 3.897 -15.320 1.00 0.00 H new ATOM 1071 N ALA A 76 2.201 -1.641 -11.686 1.00 0.00 N ATOM 1072 CA ALA A 76 2.008 -2.945 -11.111 1.00 0.00 C ATOM 1073 C ALA A 76 0.522 -3.250 -11.135 1.00 0.00 C ATOM 1074 O ALA A 76 -0.283 -2.321 -11.260 1.00 0.00 O ATOM 1075 CB ALA A 76 2.534 -2.949 -9.684 1.00 0.00 C ATOM 0 H ALA A 76 1.885 -0.874 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 76 2.548 -3.705 -11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.389 -3.936 -9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.597 -2.706 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.994 -2.208 -9.095 1.00 0.00 H new ATOM 1081 N PRO A 77 0.136 -4.538 -11.072 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.271 -4.946 -11.026 1.00 0.00 C ATOM 1083 C PRO A 77 -2.031 -4.323 -9.860 1.00 0.00 C ATOM 1084 O PRO A 77 -1.440 -4.016 -8.823 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.197 -6.450 -10.851 1.00 0.00 C ATOM 1086 CG PRO A 77 0.131 -6.849 -11.371 1.00 0.00 C ATOM 1087 CD PRO A 77 1.042 -5.705 -11.071 1.00 0.00 C ATOM 0 HA PRO A 77 -1.808 -4.625 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.307 -6.728 -9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.998 -6.948 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.480 -7.764 -10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.089 -7.046 -12.442 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.538 -5.828 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.825 -5.607 -11.823 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.343 -4.188 -10.029 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.246 -3.546 -9.052 1.00 0.00 C ATOM 1097 C ASP A 78 -4.193 -4.213 -7.682 1.00 0.00 C ATOM 1098 O ASP A 78 -4.480 -3.584 -6.657 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.706 -3.570 -9.540 1.00 0.00 C ATOM 1100 CG ASP A 78 -5.979 -2.733 -10.773 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -6.514 -1.609 -10.650 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -5.694 -3.180 -11.910 1.00 0.00 O ATOM 0 H ASP A 78 -3.827 -4.525 -10.861 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.896 -2.518 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.987 -4.602 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.350 -3.222 -8.732 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.837 -5.490 -7.671 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.748 -6.253 -6.443 1.00 0.00 C ATOM 1109 C TRP A 79 -2.492 -5.919 -5.646 1.00 0.00 C ATOM 1110 O TRP A 79 -2.414 -6.227 -4.463 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.838 -7.769 -6.712 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.786 -8.335 -7.620 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.949 -8.607 -8.930 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.424 -8.696 -7.300 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.797 -9.125 -9.456 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.842 -9.176 -8.486 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.639 -8.655 -6.140 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.476 -9.614 -8.552 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.669 -9.087 -6.209 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.217 -9.556 -7.407 1.00 0.00 C ATOM 0 H TRP A 79 -3.604 -6.020 -8.511 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.605 -5.964 -5.835 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.786 -8.292 -5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.816 -7.985 -7.141 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.860 -8.440 -9.486 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.673 -9.426 -10.423 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.050 -8.292 -5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.897 -9.986 -9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.282 -9.063 -5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.247 -9.879 -7.427 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.501 -5.322 -6.276 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.301 -5.003 -5.565 1.00 0.00 C ATOM 1133 C LEU A 80 -0.567 -3.721 -4.801 1.00 0.00 C ATOM 1134 O LEU A 80 -0.776 -2.649 -5.387 1.00 0.00 O ATOM 1135 CB LEU A 80 0.908 -4.896 -6.502 1.00 0.00 C ATOM 1136 CG LEU A 80 2.253 -4.720 -5.795 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.527 -5.886 -4.872 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.386 -4.605 -6.784 1.00 0.00 C ATOM 0 H LEU A 80 -1.510 -5.056 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.041 -5.801 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.952 -5.793 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.754 -4.053 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 80 2.193 -3.798 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.488 -5.742 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.740 -5.948 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.551 -6.810 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.326 -4.481 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.432 -5.509 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.220 -3.742 -7.429 1.00 0.00 H new ATOM 1150 N ALA A 81 -0.622 -3.851 -3.506 1.00 0.00 N ATOM 1151 CA ALA A 81 -0.985 -2.751 -2.660 1.00 0.00 C ATOM 1152 C ALA A 81 0.111 -2.413 -1.696 1.00 0.00 C ATOM 1153 O ALA A 81 1.006 -3.213 -1.434 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.232 -3.101 -1.873 1.00 0.00 C ATOM 0 H ALA A 81 -0.418 -4.718 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.166 -1.888 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.505 -2.263 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.050 -3.312 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.040 -3.981 -1.259 1.00 0.00 H new ATOM 1160 N ALA A 82 0.020 -1.223 -1.180 1.00 0.00 N ATOM 1161 CA ALA A 82 0.888 -0.735 -0.154 1.00 0.00 C ATOM 1162 C ALA A 82 0.101 0.274 0.652 1.00 0.00 C ATOM 1163 O ALA A 82 -0.640 1.094 0.090 1.00 0.00 O ATOM 1164 CB ALA A 82 2.158 -0.128 -0.727 1.00 0.00 C ATOM 0 H ALA A 82 -0.684 -0.545 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 82 1.218 -1.556 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.789 0.230 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.697 -0.884 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.900 0.705 -1.380 1.00 0.00 H new ATOM 1170 N GLU A 83 0.188 0.166 1.948 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.483 1.040 2.852 1.00 0.00 C ATOM 1172 C GLU A 83 0.425 1.165 4.050 1.00 0.00 C ATOM 1173 O GLU A 83 1.126 0.219 4.350 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.861 0.461 3.238 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.840 -0.985 3.703 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.203 -1.490 4.111 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -4.089 -1.627 3.242 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.423 -1.769 5.311 1.00 0.00 O ATOM 0 H GLU A 83 0.744 -0.553 2.411 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.677 2.017 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.288 1.076 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.526 0.541 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.450 -1.613 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.155 -1.081 4.546 1.00 0.00 H new ATOM 1185 N PRO A 84 0.515 2.329 4.666 1.00 0.00 N ATOM 1186 CA PRO A 84 1.289 2.521 5.877 1.00 0.00 C ATOM 1187 C PRO A 84 0.725 1.728 7.026 1.00 0.00 C ATOM 1188 O PRO A 84 -0.496 1.514 7.152 1.00 0.00 O ATOM 1189 CB PRO A 84 1.191 4.025 6.147 1.00 0.00 C ATOM 1190 CG PRO A 84 0.641 4.639 4.934 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.114 3.565 4.225 1.00 0.00 C ATOM 0 HA PRO A 84 2.318 2.179 5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.549 4.222 7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.171 4.440 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.013 5.474 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.437 5.035 4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.173 3.586 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.048 3.681 3.143 1.00 0.00 H new ATOM 1199 N TYR A 85 1.641 1.248 7.804 1.00 0.00 N ATOM 1200 CA TYR A 85 1.369 0.528 9.013 1.00 0.00 C ATOM 1201 C TYR A 85 1.150 1.586 10.099 1.00 0.00 C ATOM 1202 O TYR A 85 1.207 2.805 9.748 1.00 0.00 O ATOM 1203 CB TYR A 85 2.550 -0.477 9.224 1.00 0.00 C ATOM 1204 CG TYR A 85 3.102 -0.714 10.606 1.00 0.00 C ATOM 1205 CD1 TYR A 85 2.425 -1.495 11.530 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.316 -0.164 10.979 1.00 0.00 C ATOM 1207 CE1 TYR A 85 2.944 -1.709 12.790 1.00 0.00 C ATOM 1208 CE2 TYR A 85 4.840 -0.372 12.231 1.00 0.00 C ATOM 1209 CZ TYR A 85 4.152 -1.142 13.135 1.00 0.00 C ATOM 1210 OH TYR A 85 4.673 -1.334 14.395 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.892 1.265 11.269 1.00 0.00 O ATOM 0 H TYR A 85 2.637 1.349 7.610 1.00 0.00 H new ATOM 0 HA TYR A 85 0.471 -0.089 9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.227 -1.442 8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.377 -0.141 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.479 -1.941 11.260 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.862 0.441 10.271 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.407 -2.318 13.502 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.788 0.068 12.503 1.00 0.00 H new ATOM 0 HH TYR A 85 5.531 -0.866 14.469 1.00 0.00 H new TER 1221 TYR A 85