USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 60 MET CE :methyl 147:sc= -0.235 (180deg=-1.02) USER MOD Set 1.2: A 83 GLN : amide:sc= -1.61! C(o=-1.8!,f=-7.1!) USER MOD Set 2.1: A 39 ASN : amide:sc= 0.868 K(o=1.9,f=-1.2) USER MOD Set 2.2: A 46 SER OG : rot -32:sc= 1.05 USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 1.14 USER MOD Set 3.2: A 21 THR OG1 : rot -93:sc= 2.06 USER MOD Single : A 0 GLY N :NH3+ -150:sc= 1.13 (180deg=1.07) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -132:sc= 1.29 USER MOD Single : A 8 CYS SG : rot 19:sc= -1.83! USER MOD Single : A 17 THR OG1 : rot -136:sc= -0.631 USER MOD Single : A 20 GLN : amide:sc= 1.17 K(o=1.2,f=-0.16) USER MOD Single : A 27 SER OG : rot 48:sc= -0.0531 USER MOD Single : A 28 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.084) USER MOD Single : A 35 SER OG : rot -108:sc= 0.18 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= 2.27 (180deg=-0.0757) USER MOD Single : A 43 THR OG1 : rot -40:sc= -1.13! USER MOD Single : A 53 THR OG1 : rot 170:sc= -0.596 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0.961 (180deg=0.245) USER MOD Single : A 58 LYS NZ :NH3+ 149:sc= 2.31 (180deg=-0.94) USER MOD Single : A 67 MET CE :methyl -155:sc= 0 (180deg=-0.309) USER MOD Single : A 68 ASN : amide:sc= 0.744 K(o=0.74,f=-0.026) USER MOD Single : A 70 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 76 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.422 K(o=0.42,f=-0.42) USER MOD Single : A 84 SER OG : rot -75:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 19.601 9.414 9.919 1.00 0.00 N ATOM 2 CA GLY A 0 20.174 8.090 9.772 1.00 0.00 C ATOM 3 C GLY A 0 20.828 7.993 8.443 1.00 0.00 C ATOM 4 O GLY A 0 21.574 8.899 8.072 1.00 0.00 O ATOM 0 H1 GLY A 0 19.604 9.684 10.923 1.00 0.00 H new ATOM 0 H2 GLY A 0 20.164 10.098 9.375 1.00 0.00 H new ATOM 0 H3 GLY A 0 18.623 9.411 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.900 7.904 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.398 7.331 9.866 1.00 0.00 H new ATOM 10 N MET A 1 20.538 6.946 7.706 1.00 0.00 N ATOM 11 CA MET A 1 21.174 6.731 6.418 1.00 0.00 C ATOM 12 C MET A 1 20.156 6.416 5.338 1.00 0.00 C ATOM 13 O MET A 1 20.508 6.341 4.164 1.00 0.00 O ATOM 14 CB MET A 1 22.237 5.598 6.458 1.00 0.00 C ATOM 15 CG MET A 1 23.504 5.872 7.286 1.00 0.00 C ATOM 16 SD MET A 1 23.242 5.882 9.081 1.00 0.00 S ATOM 17 CE MET A 1 24.902 6.242 9.652 1.00 0.00 C ATOM 0 H MET A 1 19.866 6.227 7.973 1.00 0.00 H new ATOM 0 HA MET A 1 21.678 7.667 6.180 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.762 4.699 6.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.540 5.378 5.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.251 5.116 7.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.917 6.835 6.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.911 6.283 10.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.581 5.460 9.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.225 7.203 9.250 1.00 0.00 H new ATOM 27 N ALA A 2 18.896 6.249 5.718 1.00 0.00 N ATOM 28 CA ALA A 2 17.878 5.881 4.759 1.00 0.00 C ATOM 29 C ALA A 2 16.511 6.274 5.255 1.00 0.00 C ATOM 30 O ALA A 2 15.765 5.452 5.790 1.00 0.00 O ATOM 31 CB ALA A 2 17.928 4.387 4.426 1.00 0.00 C ATOM 0 H ALA A 2 18.562 6.362 6.675 1.00 0.00 H new ATOM 0 HA ALA A 2 18.081 6.428 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.148 4.149 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.902 4.141 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.769 3.806 5.335 1.00 0.00 H new ATOM 37 N GLU A 3 16.224 7.544 5.173 1.00 0.00 N ATOM 38 CA GLU A 3 14.936 8.042 5.551 1.00 0.00 C ATOM 39 C GLU A 3 14.360 8.837 4.394 1.00 0.00 C ATOM 40 O GLU A 3 14.686 10.005 4.197 1.00 0.00 O ATOM 41 CB GLU A 3 14.963 8.899 6.840 1.00 0.00 C ATOM 42 CG GLU A 3 15.505 8.209 8.108 1.00 0.00 C ATOM 43 CD GLU A 3 17.020 8.111 8.154 1.00 0.00 C ATOM 44 OE1 GLU A 3 17.669 9.158 8.268 1.00 0.00 O ATOM 45 OE2 GLU A 3 17.589 6.986 8.152 1.00 0.00 O1- ATOM 0 H GLU A 3 16.874 8.257 4.844 1.00 0.00 H new ATOM 0 HA GLU A 3 14.304 7.184 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.567 9.786 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.949 9.242 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.159 8.757 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.083 7.206 8.173 1.00 0.00 H new ATOM 52 N VAL A 4 13.570 8.178 3.598 1.00 0.00 N ATOM 53 CA VAL A 4 12.950 8.769 2.446 1.00 0.00 C ATOM 54 C VAL A 4 11.622 8.063 2.246 1.00 0.00 C ATOM 55 O VAL A 4 11.468 6.930 2.702 1.00 0.00 O ATOM 56 CB VAL A 4 13.877 8.626 1.183 1.00 0.00 C ATOM 57 CG1 VAL A 4 14.186 7.168 0.867 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.303 9.344 -0.039 1.00 0.00 C ATOM 0 H VAL A 4 13.333 7.195 3.733 1.00 0.00 H new ATOM 0 HA VAL A 4 12.789 9.837 2.592 1.00 0.00 H new ATOM 0 HB VAL A 4 14.818 9.116 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.829 7.114 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.694 6.711 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.257 6.634 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.978 9.217 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.329 8.922 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.193 10.406 0.181 1.00 0.00 H new ATOM 68 N GLU A 5 10.661 8.718 1.641 1.00 0.00 N ATOM 69 CA GLU A 5 9.392 8.097 1.449 1.00 0.00 C ATOM 70 C GLU A 5 9.253 7.485 0.074 1.00 0.00 C ATOM 71 O GLU A 5 9.428 8.148 -0.954 1.00 0.00 O ATOM 72 CB GLU A 5 8.209 9.034 1.729 1.00 0.00 C ATOM 73 CG GLU A 5 8.172 10.317 0.911 1.00 0.00 C ATOM 74 CD GLU A 5 6.755 10.804 0.714 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.917 10.621 1.624 1.00 0.00 O ATOM 76 OE2 GLU A 5 6.436 11.313 -0.377 1.00 0.00 O1- ATOM 0 H GLU A 5 10.740 9.669 1.280 1.00 0.00 H new ATOM 0 HA GLU A 5 9.358 7.297 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.285 8.485 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.223 9.300 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.757 11.088 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.638 10.145 -0.059 1.00 0.00 H new ATOM 83 N TYR A 6 8.994 6.226 0.070 1.00 0.00 N ATOM 84 CA TYR A 6 8.635 5.518 -1.111 1.00 0.00 C ATOM 85 C TYR A 6 7.252 5.021 -0.916 1.00 0.00 C ATOM 86 O TYR A 6 6.836 4.827 0.210 1.00 0.00 O ATOM 87 CB TYR A 6 9.611 4.406 -1.428 1.00 0.00 C ATOM 88 CG TYR A 6 10.859 4.922 -2.075 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.809 5.399 -3.370 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.075 4.931 -1.420 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.933 5.869 -4.004 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.211 5.407 -2.049 1.00 0.00 C ATOM 93 CZ TYR A 6 13.131 5.873 -3.342 1.00 0.00 C ATOM 94 OH TYR A 6 14.257 6.322 -3.982 1.00 0.00 O ATOM 0 H TYR A 6 9.026 5.644 0.907 1.00 0.00 H new ATOM 0 HA TYR A 6 8.676 6.178 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.870 3.879 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.133 3.682 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.866 5.403 -3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.139 4.563 -0.407 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.872 6.233 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.157 5.413 -1.528 1.00 0.00 H new ATOM 0 HH TYR A 6 14.987 5.682 -3.848 1.00 0.00 H new ATOM 104 N ARG A 7 6.519 4.823 -1.951 1.00 0.00 N ATOM 105 CA ARG A 7 5.139 4.543 -1.757 1.00 0.00 C ATOM 106 C ARG A 7 4.601 3.562 -2.767 1.00 0.00 C ATOM 107 O ARG A 7 4.961 3.582 -3.935 1.00 0.00 O ATOM 108 CB ARG A 7 4.390 5.874 -1.702 1.00 0.00 C ATOM 109 CG ARG A 7 2.885 5.826 -1.509 1.00 0.00 C ATOM 110 CD ARG A 7 2.397 7.105 -0.815 1.00 0.00 C ATOM 111 NE ARG A 7 2.951 8.330 -1.414 1.00 0.00 N ATOM 112 CZ ARG A 7 3.797 9.178 -0.777 1.00 0.00 C ATOM 113 NH1 ARG A 7 4.134 8.974 0.504 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.287 10.224 -1.422 1.00 0.00 N ATOM 0 H ARG A 7 6.838 4.848 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 7 4.986 4.029 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.814 6.465 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.593 6.412 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.391 5.717 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.615 4.955 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.309 7.144 -0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.670 7.067 0.240 1.00 0.00 H new ATOM 0 HE ARG A 7 2.681 8.556 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.754 8.174 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.771 9.618 0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.028 10.390 -2.395 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.923 10.864 -0.947 1.00 0.00 H new ATOM 128 N CYS A 8 3.782 2.690 -2.293 1.00 0.00 N ATOM 129 CA CYS A 8 3.194 1.663 -3.081 1.00 0.00 C ATOM 130 C CYS A 8 1.695 1.930 -3.215 1.00 0.00 C ATOM 131 O CYS A 8 1.072 2.448 -2.278 1.00 0.00 O ATOM 132 CB CYS A 8 3.450 0.329 -2.386 1.00 0.00 C ATOM 133 SG CYS A 8 2.882 -1.111 -3.273 1.00 0.00 S ATOM 0 H CYS A 8 3.493 2.671 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 8 3.627 1.638 -4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.521 0.229 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.967 0.348 -1.409 1.00 0.00 H new ATOM 0 HG CYS A 8 2.698 -0.806 -4.523 1.00 0.00 H new ATOM 139 N PHE A 9 1.150 1.619 -4.366 1.00 0.00 N ATOM 140 CA PHE A 9 -0.262 1.783 -4.650 1.00 0.00 C ATOM 141 C PHE A 9 -0.901 0.425 -4.536 1.00 0.00 C ATOM 142 O PHE A 9 -0.497 -0.515 -5.242 1.00 0.00 O ATOM 143 CB PHE A 9 -0.455 2.337 -6.093 1.00 0.00 C ATOM 144 CG PHE A 9 -1.900 2.518 -6.571 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.686 1.426 -6.932 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.451 3.778 -6.680 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.978 1.594 -7.380 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.743 3.953 -7.133 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.508 2.860 -7.483 1.00 0.00 C ATOM 0 H PHE A 9 1.682 1.238 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.716 2.486 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.049 3.302 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.052 1.666 -6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.275 0.430 -6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.862 4.641 -6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.573 0.734 -7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.156 4.948 -7.214 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.519 2.997 -7.837 1.00 0.00 H new ATOM 159 N VAL A 10 -1.857 0.291 -3.659 1.00 0.00 N ATOM 160 CA VAL A 10 -2.539 -0.960 -3.523 1.00 0.00 C ATOM 161 C VAL A 10 -4.021 -0.730 -3.749 1.00 0.00 C ATOM 162 O VAL A 10 -4.680 -0.055 -2.969 1.00 0.00 O ATOM 163 CB VAL A 10 -2.313 -1.611 -2.127 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.921 -3.006 -2.083 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.830 -1.667 -1.776 1.00 0.00 C ATOM 0 H VAL A 10 -2.178 1.029 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.135 -1.650 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.811 -0.988 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.753 -3.445 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.992 -2.942 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.454 -3.631 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.705 -2.127 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.301 -2.258 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.422 -0.656 -1.757 1.00 0.00 H new ATOM 175 N GLY A 11 -4.523 -1.284 -4.807 1.00 0.00 N ATOM 176 CA GLY A 11 -5.907 -1.151 -5.150 1.00 0.00 C ATOM 177 C GLY A 11 -6.592 -2.476 -5.139 1.00 0.00 C ATOM 178 O GLY A 11 -5.932 -3.505 -5.256 1.00 0.00 O ATOM 0 H GLY A 11 -3.981 -1.846 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.397 -0.479 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.998 -0.699 -6.138 1.00 0.00 H new ATOM 182 N GLY A 12 -7.895 -2.466 -4.994 1.00 0.00 N ATOM 183 CA GLY A 12 -8.631 -3.701 -4.946 1.00 0.00 C ATOM 184 C GLY A 12 -8.578 -4.255 -3.559 1.00 0.00 C ATOM 185 O GLY A 12 -8.126 -5.364 -3.338 1.00 0.00 O ATOM 0 H GLY A 12 -8.462 -1.622 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.666 -3.532 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.209 -4.416 -5.652 1.00 0.00 H new ATOM 189 N LEU A 13 -9.016 -3.458 -2.624 1.00 0.00 N ATOM 190 CA LEU A 13 -8.950 -3.814 -1.234 1.00 0.00 C ATOM 191 C LEU A 13 -10.177 -4.597 -0.786 1.00 0.00 C ATOM 192 O LEU A 13 -11.201 -4.660 -1.503 1.00 0.00 O ATOM 193 CB LEU A 13 -8.718 -2.571 -0.398 1.00 0.00 C ATOM 194 CG LEU A 13 -7.440 -1.797 -0.748 1.00 0.00 C ATOM 195 CD1 LEU A 13 -7.337 -0.549 0.081 1.00 0.00 C ATOM 196 CD2 LEU A 13 -6.205 -2.662 -0.542 1.00 0.00 C ATOM 0 H LEU A 13 -9.429 -2.543 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.104 -4.485 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.574 -1.906 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.677 -2.858 0.653 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.494 -1.519 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.425 -0.013 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.200 0.088 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.311 -0.815 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.313 -2.090 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.150 -2.975 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.266 -3.542 -1.182 1.00 0.00 H new ATOM 208 N ALA A 14 -10.081 -5.168 0.389 1.00 0.00 N ATOM 209 CA ALA A 14 -11.055 -6.093 0.897 1.00 0.00 C ATOM 210 C ALA A 14 -12.105 -5.454 1.782 1.00 0.00 C ATOM 211 O ALA A 14 -12.310 -4.245 1.745 1.00 0.00 O ATOM 212 CB ALA A 14 -10.340 -7.189 1.590 1.00 0.00 C ATOM 0 H ALA A 14 -9.306 -4.997 1.030 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.621 -6.487 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.063 -7.903 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.678 -7.693 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.752 -6.778 2.411 1.00 0.00 H new ATOM 218 N TRP A 15 -12.784 -6.289 2.548 1.00 0.00 N ATOM 219 CA TRP A 15 -13.926 -5.887 3.337 1.00 0.00 C ATOM 220 C TRP A 15 -13.464 -5.190 4.590 1.00 0.00 C ATOM 221 O TRP A 15 -14.004 -4.163 4.988 1.00 0.00 O ATOM 222 CB TRP A 15 -14.751 -7.119 3.757 1.00 0.00 C ATOM 223 CG TRP A 15 -15.120 -8.071 2.649 1.00 0.00 C ATOM 224 CD1 TRP A 15 -14.479 -9.235 2.330 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.210 -7.950 1.724 1.00 0.00 C ATOM 226 NE1 TRP A 15 -15.107 -9.852 1.273 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.174 -9.086 0.882 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.215 -7.001 1.528 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -17.102 -9.289 -0.134 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -18.135 -7.204 0.517 1.00 0.00 C ATOM 231 CH2 TRP A 15 -18.073 -8.340 -0.300 1.00 0.00 C ATOM 0 H TRP A 15 -12.551 -7.278 2.638 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.537 -5.218 2.730 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -14.188 -7.670 4.511 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.668 -6.773 4.233 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -13.604 -9.616 2.836 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.824 -10.736 0.849 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.272 -6.124 2.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.058 -10.162 -0.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.915 -6.475 0.354 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.809 -8.470 -1.079 1.00 0.00 H new ATOM 242 N ALA A 16 -12.457 -5.753 5.194 1.00 0.00 N ATOM 243 CA ALA A 16 -11.981 -5.291 6.487 1.00 0.00 C ATOM 244 C ALA A 16 -10.618 -4.631 6.395 1.00 0.00 C ATOM 245 O ALA A 16 -9.923 -4.461 7.409 1.00 0.00 O ATOM 246 CB ALA A 16 -11.945 -6.457 7.467 1.00 0.00 C ATOM 0 H ALA A 16 -11.937 -6.544 4.814 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.677 -4.533 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.588 -6.107 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.948 -6.870 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.274 -7.229 7.090 1.00 0.00 H new ATOM 252 N THR A 17 -10.243 -4.218 5.210 1.00 0.00 N ATOM 253 CA THR A 17 -8.961 -3.600 5.031 1.00 0.00 C ATOM 254 C THR A 17 -8.956 -2.169 5.599 1.00 0.00 C ATOM 255 O THR A 17 -9.700 -1.300 5.150 1.00 0.00 O ATOM 256 CB THR A 17 -8.574 -3.567 3.543 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.724 -4.884 2.997 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.124 -3.131 3.376 1.00 0.00 C ATOM 0 H THR A 17 -10.805 -4.299 4.363 1.00 0.00 H new ATOM 0 HA THR A 17 -8.228 -4.196 5.574 1.00 0.00 H new ATOM 0 HB THR A 17 -9.220 -2.858 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.951 -5.094 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.869 -3.114 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.993 -2.134 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.471 -3.833 3.895 1.00 0.00 H new ATOM 266 N THR A 18 -8.122 -1.950 6.575 1.00 0.00 N ATOM 267 CA THR A 18 -7.937 -0.655 7.156 1.00 0.00 C ATOM 268 C THR A 18 -6.551 -0.178 6.785 1.00 0.00 C ATOM 269 O THR A 18 -5.767 -0.950 6.209 1.00 0.00 O ATOM 270 CB THR A 18 -8.110 -0.680 8.704 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.244 -1.674 9.302 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.556 -0.968 9.087 1.00 0.00 C ATOM 0 H THR A 18 -7.544 -2.678 6.994 1.00 0.00 H new ATOM 0 HA THR A 18 -8.697 0.025 6.771 1.00 0.00 H new ATOM 0 HB THR A 18 -7.835 0.305 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.367 -1.673 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.649 -0.980 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.203 -0.193 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.852 -1.938 8.687 1.00 0.00 H new ATOM 280 N ASP A 19 -6.221 1.048 7.102 1.00 0.00 N ATOM 281 CA ASP A 19 -4.929 1.584 6.732 1.00 0.00 C ATOM 282 C ASP A 19 -3.843 0.946 7.570 1.00 0.00 C ATOM 283 O ASP A 19 -2.742 0.680 7.072 1.00 0.00 O ATOM 284 CB ASP A 19 -4.901 3.123 6.802 1.00 0.00 C ATOM 285 CG ASP A 19 -5.100 3.707 8.179 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.930 3.154 8.939 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -4.430 4.734 8.499 1.00 0.00 O ATOM 0 H ASP A 19 -6.823 1.694 7.613 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.738 1.332 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.945 3.471 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.676 3.515 6.143 1.00 0.00 H new ATOM 292 N GLN A 20 -4.181 0.639 8.818 1.00 0.00 N ATOM 293 CA GLN A 20 -3.286 -0.056 9.717 1.00 0.00 C ATOM 294 C GLN A 20 -2.964 -1.443 9.152 1.00 0.00 C ATOM 295 O GLN A 20 -1.802 -1.758 8.902 1.00 0.00 O ATOM 296 CB GLN A 20 -3.930 -0.234 11.083 1.00 0.00 C ATOM 297 CG GLN A 20 -2.966 -0.748 12.140 1.00 0.00 C ATOM 298 CD GLN A 20 -3.676 -1.363 13.313 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.038 -0.687 14.271 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.837 -2.654 13.269 1.00 0.00 N ATOM 0 H GLN A 20 -5.086 0.868 9.229 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.377 0.536 9.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.342 0.721 11.410 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.766 -0.928 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.301 -1.487 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.340 0.074 12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.522 -3.180 12.454 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.278 -3.140 14.050 1.00 0.00 H new ATOM 309 N THR A 21 -4.020 -2.229 8.881 1.00 0.00 N ATOM 310 CA THR A 21 -3.867 -3.610 8.422 1.00 0.00 C ATOM 311 C THR A 21 -3.150 -3.706 7.079 1.00 0.00 C ATOM 312 O THR A 21 -2.405 -4.654 6.818 1.00 0.00 O ATOM 313 CB THR A 21 -5.213 -4.366 8.384 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.208 -3.559 7.745 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.675 -4.725 9.790 1.00 0.00 C ATOM 0 H THR A 21 -4.989 -1.925 8.974 1.00 0.00 H new ATOM 0 HA THR A 21 -3.234 -4.100 9.162 1.00 0.00 H new ATOM 0 HB THR A 21 -5.070 -5.287 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.698 -3.047 8.422 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.625 -5.257 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.929 -5.362 10.267 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.802 -3.814 10.375 1.00 0.00 H new ATOM 323 N LEU A 22 -3.356 -2.706 6.242 1.00 0.00 N ATOM 324 CA LEU A 22 -2.688 -2.638 4.966 1.00 0.00 C ATOM 325 C LEU A 22 -1.185 -2.411 5.188 1.00 0.00 C ATOM 326 O LEU A 22 -0.353 -3.013 4.530 1.00 0.00 O ATOM 327 CB LEU A 22 -3.290 -1.503 4.119 1.00 0.00 C ATOM 328 CG LEU A 22 -2.766 -1.355 2.687 1.00 0.00 C ATOM 329 CD1 LEU A 22 -3.082 -2.593 1.863 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.348 -0.111 2.031 1.00 0.00 C ATOM 0 H LEU A 22 -3.987 -1.927 6.430 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.827 -3.577 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.369 -1.650 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.119 -0.562 4.642 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.682 -1.246 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.700 -2.463 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.612 -3.464 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.161 -2.741 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.965 -0.022 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.435 -0.189 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.062 0.771 2.605 1.00 0.00 H new ATOM 342 N GLY A 23 -0.864 -1.591 6.171 1.00 0.00 N ATOM 343 CA GLY A 23 0.512 -1.257 6.447 1.00 0.00 C ATOM 344 C GLY A 23 1.256 -2.366 7.152 1.00 0.00 C ATOM 345 O GLY A 23 2.385 -2.696 6.773 1.00 0.00 O ATOM 0 H GLY A 23 -1.542 -1.146 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.019 -1.024 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.546 -0.356 7.060 1.00 0.00 H new ATOM 349 N GLU A 24 0.627 -2.962 8.155 1.00 0.00 N ATOM 350 CA GLU A 24 1.253 -4.020 8.953 1.00 0.00 C ATOM 351 C GLU A 24 1.568 -5.251 8.094 1.00 0.00 C ATOM 352 O GLU A 24 2.573 -5.932 8.312 1.00 0.00 O ATOM 353 CB GLU A 24 0.388 -4.370 10.175 1.00 0.00 C ATOM 354 CG GLU A 24 -0.982 -4.895 9.828 1.00 0.00 C ATOM 355 CD GLU A 24 -1.905 -4.989 11.026 1.00 0.00 C ATOM 356 OE1 GLU A 24 -1.907 -6.023 11.696 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 -2.657 -4.008 11.283 1.00 0.00 O ATOM 0 H GLU A 24 -0.325 -2.732 8.441 1.00 0.00 H new ATOM 0 HA GLU A 24 2.205 -3.646 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.910 -5.115 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.278 -3.481 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.434 -4.245 9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.882 -5.882 9.376 1.00 0.00 H new ATOM 364 N ALA A 25 0.747 -5.484 7.072 1.00 0.00 N ATOM 365 CA ALA A 25 0.959 -6.583 6.142 1.00 0.00 C ATOM 366 C ALA A 25 2.280 -6.398 5.377 1.00 0.00 C ATOM 367 O ALA A 25 3.009 -7.356 5.120 1.00 0.00 O ATOM 368 CB ALA A 25 -0.215 -6.692 5.167 1.00 0.00 C ATOM 0 H ALA A 25 -0.077 -4.919 6.869 1.00 0.00 H new ATOM 0 HA ALA A 25 1.021 -7.509 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.041 -7.519 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.135 -6.871 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.307 -5.764 4.603 1.00 0.00 H new ATOM 374 N PHE A 26 2.593 -5.159 5.048 1.00 0.00 N ATOM 375 CA PHE A 26 3.806 -4.836 4.308 1.00 0.00 C ATOM 376 C PHE A 26 5.005 -4.597 5.215 1.00 0.00 C ATOM 377 O PHE A 26 6.149 -4.524 4.740 1.00 0.00 O ATOM 378 CB PHE A 26 3.607 -3.650 3.379 1.00 0.00 C ATOM 379 CG PHE A 26 2.688 -3.921 2.212 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.148 -4.598 1.103 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.376 -3.500 2.225 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.318 -4.848 0.027 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.540 -3.743 1.155 1.00 0.00 C ATOM 384 CZ PHE A 26 1.011 -4.419 0.053 1.00 0.00 C ATOM 0 H PHE A 26 2.019 -4.349 5.283 1.00 0.00 H new ATOM 0 HA PHE A 26 4.022 -5.716 3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.207 -2.816 3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.578 -3.337 2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.173 -4.938 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.996 -2.971 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.695 -5.380 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.485 -3.403 1.182 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.359 -4.612 -0.786 1.00 0.00 H new ATOM 394 N SER A 27 4.757 -4.504 6.519 1.00 0.00 N ATOM 395 CA SER A 27 5.815 -4.246 7.505 1.00 0.00 C ATOM 396 C SER A 27 6.821 -5.409 7.565 1.00 0.00 C ATOM 397 O SER A 27 7.900 -5.285 8.128 1.00 0.00 O ATOM 398 CB SER A 27 5.202 -3.997 8.880 1.00 0.00 C ATOM 399 OG SER A 27 4.283 -2.911 8.837 1.00 0.00 O ATOM 0 H SER A 27 3.826 -4.604 6.924 1.00 0.00 H new ATOM 0 HA SER A 27 6.359 -3.354 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.692 -4.897 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.991 -3.783 9.601 1.00 0.00 H new ATOM 0 HG SER A 27 3.674 -3.028 8.079 1.00 0.00 H new ATOM 405 N GLN A 28 6.435 -6.529 6.963 1.00 0.00 N ATOM 406 CA GLN A 28 7.258 -7.713 6.883 1.00 0.00 C ATOM 407 C GLN A 28 8.478 -7.448 5.974 1.00 0.00 C ATOM 408 O GLN A 28 9.520 -8.073 6.122 1.00 0.00 O ATOM 409 CB GLN A 28 6.410 -8.857 6.310 1.00 0.00 C ATOM 410 CG GLN A 28 7.069 -10.226 6.343 1.00 0.00 C ATOM 411 CD GLN A 28 7.302 -10.730 7.759 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.333 -10.498 8.355 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.330 -11.418 8.303 1.00 0.00 N ATOM 0 H GLN A 28 5.526 -6.633 6.512 1.00 0.00 H new ATOM 0 HA GLN A 28 7.622 -7.982 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.474 -8.908 6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.155 -8.618 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.443 -10.939 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.022 -10.179 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.475 -11.597 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.428 -11.775 9.253 1.00 0.00 H new ATOM 422 N PHE A 29 8.335 -6.520 5.034 1.00 0.00 N ATOM 423 CA PHE A 29 9.430 -6.212 4.140 1.00 0.00 C ATOM 424 C PHE A 29 10.173 -4.954 4.538 1.00 0.00 C ATOM 425 O PHE A 29 11.405 -4.893 4.422 1.00 0.00 O ATOM 426 CB PHE A 29 8.990 -6.151 2.679 1.00 0.00 C ATOM 427 CG PHE A 29 8.635 -7.493 2.101 1.00 0.00 C ATOM 428 CD1 PHE A 29 9.588 -8.500 2.030 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.373 -7.744 1.605 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.285 -9.726 1.482 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.064 -8.974 1.055 1.00 0.00 C ATOM 432 CZ PHE A 29 8.021 -9.964 0.993 1.00 0.00 C ATOM 0 H PHE A 29 7.484 -5.979 4.877 1.00 0.00 H new ATOM 0 HA PHE A 29 10.130 -7.042 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.128 -5.489 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.790 -5.709 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.582 -8.319 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.619 -6.972 1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.038 -10.499 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.071 -9.160 0.673 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.779 -10.924 0.562 1.00 0.00 H new ATOM 442 N GLY A 30 9.460 -3.936 4.985 1.00 0.00 N ATOM 443 CA GLY A 30 10.155 -2.747 5.394 1.00 0.00 C ATOM 444 C GLY A 30 9.374 -1.896 6.338 1.00 0.00 C ATOM 445 O GLY A 30 8.176 -2.113 6.529 1.00 0.00 O ATOM 0 H GLY A 30 8.444 -3.912 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.096 -3.030 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.405 -2.160 4.510 1.00 0.00 H new ATOM 449 N GLU A 31 10.062 -0.927 6.923 1.00 0.00 N ATOM 450 CA GLU A 31 9.474 0.023 7.835 1.00 0.00 C ATOM 451 C GLU A 31 8.456 0.883 7.099 1.00 0.00 C ATOM 452 O GLU A 31 8.757 1.466 6.034 1.00 0.00 O ATOM 453 CB GLU A 31 10.562 0.915 8.433 1.00 0.00 C ATOM 454 CG GLU A 31 11.594 0.189 9.289 1.00 0.00 C ATOM 455 CD GLU A 31 12.705 1.117 9.740 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.469 2.003 10.585 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 13.827 1.039 9.190 1.00 0.00 O ATOM 0 H GLU A 31 11.060 -0.783 6.770 1.00 0.00 H new ATOM 0 HA GLU A 31 8.975 -0.520 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.080 1.424 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.086 1.685 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.104 -0.242 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.020 -0.639 8.721 1.00 0.00 H new ATOM 464 N ILE A 32 7.279 0.944 7.648 1.00 0.00 N ATOM 465 CA ILE A 32 6.189 1.689 7.078 1.00 0.00 C ATOM 466 C ILE A 32 6.134 3.048 7.750 1.00 0.00 C ATOM 467 O ILE A 32 6.153 3.131 8.970 1.00 0.00 O ATOM 468 CB ILE A 32 4.837 0.941 7.306 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.901 -0.490 6.748 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.658 1.702 6.700 1.00 0.00 C ATOM 471 CD1 ILE A 32 5.186 -0.579 5.266 1.00 0.00 C ATOM 0 H ILE A 32 7.042 0.470 8.520 1.00 0.00 H new ATOM 0 HA ILE A 32 6.346 1.799 6.005 1.00 0.00 H new ATOM 0 HB ILE A 32 4.675 0.886 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.672 -1.041 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.953 -0.988 6.952 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.736 1.149 6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.586 2.687 7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.810 1.814 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.212 -1.626 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.403 -0.061 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.149 -0.115 5.052 1.00 0.00 H new ATOM 483 N LEU A 33 6.100 4.096 6.961 1.00 0.00 N ATOM 484 CA LEU A 33 6.030 5.441 7.503 1.00 0.00 C ATOM 485 C LEU A 33 4.587 5.793 7.812 1.00 0.00 C ATOM 486 O LEU A 33 4.296 6.438 8.806 1.00 0.00 O ATOM 487 CB LEU A 33 6.647 6.461 6.533 1.00 0.00 C ATOM 488 CG LEU A 33 8.131 6.250 6.182 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.619 7.330 5.232 1.00 0.00 C ATOM 490 CD2 LEU A 33 8.991 6.225 7.441 1.00 0.00 C ATOM 0 H LEU A 33 6.119 4.048 5.942 1.00 0.00 H new ATOM 0 HA LEU A 33 6.608 5.476 8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.070 6.447 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.534 7.456 6.964 1.00 0.00 H new ATOM 0 HG LEU A 33 8.222 5.284 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.670 7.161 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.033 7.299 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.505 8.307 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.035 6.075 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.888 7.172 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.665 5.410 8.088 1.00 0.00 H new ATOM 502 N ASP A 34 3.700 5.330 6.949 1.00 0.00 N ATOM 503 CA ASP A 34 2.255 5.506 7.077 1.00 0.00 C ATOM 504 C ASP A 34 1.609 4.708 5.968 1.00 0.00 C ATOM 505 O ASP A 34 2.259 4.420 4.954 1.00 0.00 O ATOM 506 CB ASP A 34 1.823 6.997 6.980 1.00 0.00 C ATOM 507 CG ASP A 34 0.313 7.193 7.161 1.00 0.00 C ATOM 508 OD1 ASP A 34 -0.175 7.261 8.307 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 -0.413 7.234 6.156 1.00 0.00 O ATOM 0 H ASP A 34 3.967 4.806 6.115 1.00 0.00 H new ATOM 0 HA ASP A 34 1.939 5.161 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.353 7.574 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.122 7.395 6.010 1.00 0.00 H new ATOM 514 N SER A 35 0.398 4.328 6.153 1.00 0.00 N ATOM 515 CA SER A 35 -0.344 3.575 5.199 1.00 0.00 C ATOM 516 C SER A 35 -1.742 4.135 5.227 1.00 0.00 C ATOM 517 O SER A 35 -2.209 4.509 6.293 1.00 0.00 O ATOM 518 CB SER A 35 -0.317 2.101 5.602 1.00 0.00 C ATOM 519 OG SER A 35 -1.062 1.287 4.725 1.00 0.00 O ATOM 0 H SER A 35 -0.126 4.538 7.002 1.00 0.00 H new ATOM 0 HA SER A 35 0.068 3.643 4.192 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.716 1.753 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.712 1.997 6.613 1.00 0.00 H new ATOM 0 HG SER A 35 -1.885 0.994 5.170 1.00 0.00 H new ATOM 525 N LYS A 36 -2.396 4.239 4.083 1.00 0.00 N ATOM 526 CA LYS A 36 -3.709 4.861 4.019 1.00 0.00 C ATOM 527 C LYS A 36 -4.647 4.207 3.072 1.00 0.00 C ATOM 528 O LYS A 36 -4.256 3.759 2.010 1.00 0.00 O ATOM 529 CB LYS A 36 -3.610 6.341 3.642 1.00 0.00 C ATOM 530 CG LYS A 36 -3.177 7.222 4.763 1.00 0.00 C ATOM 531 CD LYS A 36 -4.255 7.313 5.825 1.00 0.00 C ATOM 532 CE LYS A 36 -3.676 7.833 7.098 1.00 0.00 C ATOM 533 NZ LYS A 36 -2.778 6.832 7.723 1.00 0.00 N1+ ATOM 0 H LYS A 36 -2.041 3.902 3.188 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.111 4.743 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.907 6.449 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.581 6.680 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.259 6.833 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.951 8.218 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.056 7.969 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.697 6.330 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.122 8.751 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.479 8.088 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.959 7.315 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.295 6.317 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.449 6.161 7.000 1.00 0.00 H new ATOM 547 N ILE A 37 -5.892 4.167 3.478 1.00 0.00 N ATOM 548 CA ILE A 37 -6.978 3.809 2.614 1.00 0.00 C ATOM 549 C ILE A 37 -7.486 5.133 2.118 1.00 0.00 C ATOM 550 O ILE A 37 -7.890 5.983 2.924 1.00 0.00 O ATOM 551 CB ILE A 37 -8.136 3.101 3.375 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.629 1.884 4.155 1.00 0.00 C ATOM 553 CG2 ILE A 37 -9.258 2.696 2.411 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.959 0.826 3.313 1.00 0.00 C ATOM 0 H ILE A 37 -6.178 4.386 4.432 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.647 3.120 1.837 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.542 3.814 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.924 2.224 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.470 1.431 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.055 2.203 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.654 3.585 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.863 2.012 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.634 0.005 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.664 0.451 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.095 1.257 2.807 1.00 0.00 H new ATOM 566 N ILE A 38 -7.428 5.360 0.852 1.00 0.00 N ATOM 567 CA ILE A 38 -7.790 6.647 0.352 1.00 0.00 C ATOM 568 C ILE A 38 -9.278 6.715 0.075 1.00 0.00 C ATOM 569 O ILE A 38 -9.864 5.813 -0.551 1.00 0.00 O ATOM 570 CB ILE A 38 -6.922 7.069 -0.865 1.00 0.00 C ATOM 571 CG1 ILE A 38 -5.428 7.118 -0.449 1.00 0.00 C ATOM 572 CG2 ILE A 38 -7.367 8.413 -1.448 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.106 8.030 0.752 1.00 0.00 C ATOM 0 H ILE A 38 -7.137 4.682 0.148 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.577 7.383 1.127 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.055 6.324 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.101 6.105 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.841 7.451 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.733 8.669 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.403 8.341 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.282 9.187 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.037 7.993 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.395 9.055 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.659 7.688 1.627 1.00 0.00 H new ATOM 585 N ASN A 39 -9.889 7.755 0.577 1.00 0.00 N ATOM 586 CA ASN A 39 -11.309 7.919 0.471 1.00 0.00 C ATOM 587 C ASN A 39 -11.687 8.891 -0.616 1.00 0.00 C ATOM 588 O ASN A 39 -10.908 9.769 -0.996 1.00 0.00 O ATOM 589 CB ASN A 39 -11.959 8.274 1.821 1.00 0.00 C ATOM 590 CG ASN A 39 -11.909 7.117 2.821 1.00 0.00 C ATOM 591 OD1 ASN A 39 -12.803 6.279 2.860 1.00 0.00 O ATOM 592 ND2 ASN A 39 -10.873 7.059 3.631 1.00 0.00 N ATOM 0 H ASN A 39 -9.414 8.511 1.070 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.713 6.950 0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.452 9.140 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.997 8.562 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.800 6.304 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.143 7.770 3.577 1.00 0.00 H new ATOM 599 N ASP A 40 -12.858 8.688 -1.114 1.00 0.00 N ATOM 600 CA ASP A 40 -13.446 9.406 -2.213 1.00 0.00 C ATOM 601 C ASP A 40 -14.340 10.481 -1.633 1.00 0.00 C ATOM 602 O ASP A 40 -15.343 10.173 -0.983 1.00 0.00 O ATOM 603 CB ASP A 40 -14.285 8.406 -3.018 1.00 0.00 C ATOM 604 CG ASP A 40 -14.849 8.954 -4.271 1.00 0.00 C ATOM 605 OD1 ASP A 40 -15.909 9.564 -4.210 1.00 0.00 O ATOM 606 OD2 ASP A 40 -14.252 8.724 -5.335 1.00 0.00 O1- ATOM 0 H ASP A 40 -13.480 7.968 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.693 9.862 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.666 7.542 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.102 8.048 -2.392 1.00 0.00 H new ATOM 611 N ARG A 41 -13.955 11.723 -1.812 1.00 0.00 N ATOM 612 CA ARG A 41 -14.686 12.840 -1.219 1.00 0.00 C ATOM 613 C ARG A 41 -16.027 13.086 -1.914 1.00 0.00 C ATOM 614 O ARG A 41 -16.956 13.600 -1.303 1.00 0.00 O ATOM 615 CB ARG A 41 -13.857 14.163 -1.145 1.00 0.00 C ATOM 616 CG ARG A 41 -13.452 14.761 -2.491 1.00 0.00 C ATOM 617 CD ARG A 41 -12.188 14.137 -3.069 1.00 0.00 C ATOM 618 NE ARG A 41 -12.289 14.046 -4.519 1.00 0.00 N ATOM 619 CZ ARG A 41 -11.617 14.727 -5.435 1.00 0.00 C ATOM 620 NH1 ARG A 41 -10.640 15.579 -5.086 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -11.928 14.543 -6.715 1.00 0.00 N ATOM 0 H ARG A 41 -13.140 11.995 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.881 12.533 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.438 14.905 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.954 13.974 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.270 14.632 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.299 15.834 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.320 14.736 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.037 13.144 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.965 13.370 -4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.405 15.710 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.133 16.095 -5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.669 13.890 -6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.426 15.055 -7.440 1.00 0.00 H new ATOM 635 N GLU A 42 -16.109 12.724 -3.180 1.00 0.00 N ATOM 636 CA GLU A 42 -17.290 12.955 -3.963 1.00 0.00 C ATOM 637 C GLU A 42 -18.442 12.003 -3.650 1.00 0.00 C ATOM 638 O GLU A 42 -19.599 12.422 -3.582 1.00 0.00 O ATOM 639 CB GLU A 42 -17.004 13.081 -5.471 1.00 0.00 C ATOM 640 CG GLU A 42 -16.082 12.052 -6.093 1.00 0.00 C ATOM 641 CD GLU A 42 -14.585 12.329 -5.885 1.00 0.00 C ATOM 642 OE1 GLU A 42 -14.071 12.157 -4.762 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -13.882 12.763 -6.848 1.00 0.00 O ATOM 0 H GLU A 42 -15.354 12.262 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 42 -17.644 13.935 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -17.957 13.043 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -16.578 14.068 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.318 11.073 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.284 12.001 -7.163 1.00 0.00 H new ATOM 650 N THR A 43 -18.149 10.740 -3.462 1.00 0.00 N ATOM 651 CA THR A 43 -19.178 9.787 -3.104 1.00 0.00 C ATOM 652 C THR A 43 -19.287 9.639 -1.584 1.00 0.00 C ATOM 653 O THR A 43 -20.309 9.141 -1.059 1.00 0.00 O ATOM 654 CB THR A 43 -18.904 8.406 -3.718 1.00 0.00 C ATOM 655 OG1 THR A 43 -17.659 7.912 -3.242 1.00 0.00 O ATOM 656 CG2 THR A 43 -18.854 8.481 -5.222 1.00 0.00 C ATOM 0 H THR A 43 -17.212 10.346 -3.550 1.00 0.00 H new ATOM 0 HA THR A 43 -20.117 10.174 -3.501 1.00 0.00 H new ATOM 0 HB THR A 43 -19.715 7.739 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.008 8.644 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.659 7.489 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 43 -19.809 8.847 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.059 9.161 -5.526 1.00 0.00 H new ATOM 664 N GLY A 44 -18.226 10.010 -0.889 1.00 0.00 N ATOM 665 CA GLY A 44 -18.204 9.931 0.551 1.00 0.00 C ATOM 666 C GLY A 44 -17.892 8.531 1.053 1.00 0.00 C ATOM 667 O GLY A 44 -18.409 8.111 2.078 1.00 0.00 O ATOM 0 H GLY A 44 -17.367 10.370 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.459 10.627 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.170 10.247 0.944 1.00 0.00 H new ATOM 671 N ARG A 45 -17.088 7.789 0.313 1.00 0.00 N ATOM 672 CA ARG A 45 -16.713 6.431 0.729 1.00 0.00 C ATOM 673 C ARG A 45 -15.275 6.146 0.332 1.00 0.00 C ATOM 674 O ARG A 45 -14.633 6.999 -0.212 1.00 0.00 O ATOM 675 CB ARG A 45 -17.673 5.427 0.100 1.00 0.00 C ATOM 676 CG ARG A 45 -17.662 5.436 -1.410 1.00 0.00 C ATOM 677 CD ARG A 45 -19.036 5.127 -1.946 1.00 0.00 C ATOM 678 NE ARG A 45 -20.012 6.145 -1.504 1.00 0.00 N ATOM 679 CZ ARG A 45 -21.334 5.981 -1.377 1.00 0.00 C ATOM 680 NH1 ARG A 45 -21.900 4.793 -1.632 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -22.087 7.015 -0.993 1.00 0.00 N ATOM 0 H ARG A 45 -16.681 8.091 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.783 6.342 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.418 4.427 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.684 5.638 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.334 6.410 -1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.947 4.701 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.007 5.093 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.352 4.141 -1.604 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.640 7.066 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.322 4.005 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -22.908 4.677 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.653 7.918 -0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -23.096 6.902 -0.893 1.00 0.00 H new ATOM 695 N SER A 46 -14.769 4.972 0.627 1.00 0.00 N ATOM 696 CA SER A 46 -13.414 4.614 0.243 1.00 0.00 C ATOM 697 C SER A 46 -13.337 4.409 -1.285 1.00 0.00 C ATOM 698 O SER A 46 -14.297 3.929 -1.882 1.00 0.00 O ATOM 699 CB SER A 46 -13.024 3.355 0.994 1.00 0.00 C ATOM 700 OG SER A 46 -13.252 3.544 2.382 1.00 0.00 O ATOM 0 H SER A 46 -15.272 4.243 1.133 1.00 0.00 H new ATOM 0 HA SER A 46 -12.717 5.412 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.605 2.507 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.974 3.122 0.815 1.00 0.00 H new ATOM 0 HG SER A 46 -13.108 4.486 2.612 1.00 0.00 H new ATOM 706 N ARG A 47 -12.201 4.770 -1.921 1.00 0.00 N ATOM 707 CA ARG A 47 -12.119 4.663 -3.397 1.00 0.00 C ATOM 708 C ARG A 47 -11.759 3.237 -3.813 1.00 0.00 C ATOM 709 O ARG A 47 -11.661 2.928 -4.992 1.00 0.00 O ATOM 710 CB ARG A 47 -11.097 5.641 -4.031 1.00 0.00 C ATOM 711 CG ARG A 47 -10.935 6.974 -3.330 1.00 0.00 C ATOM 712 CD ARG A 47 -10.398 8.070 -4.252 1.00 0.00 C ATOM 713 NE ARG A 47 -11.451 8.613 -5.132 1.00 0.00 N ATOM 714 CZ ARG A 47 -11.336 9.653 -5.967 1.00 0.00 C ATOM 715 NH1 ARG A 47 -10.142 10.194 -6.229 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -12.425 10.135 -6.535 1.00 0.00 N ATOM 0 H ARG A 47 -11.361 5.123 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.108 4.934 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.125 5.149 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.395 5.829 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.898 7.286 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.258 6.854 -2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.976 8.875 -3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.588 7.668 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.359 8.149 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.303 9.815 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.070 10.986 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.333 9.716 -6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.359 10.927 -7.174 1.00 0.00 H new ATOM 730 N GLY A 48 -11.515 2.390 -2.832 1.00 0.00 N ATOM 731 CA GLY A 48 -11.220 1.002 -3.110 1.00 0.00 C ATOM 732 C GLY A 48 -9.740 0.723 -3.207 1.00 0.00 C ATOM 733 O GLY A 48 -9.332 -0.412 -3.500 1.00 0.00 O ATOM 0 H GLY A 48 -11.515 2.638 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.651 0.380 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.701 0.714 -4.045 1.00 0.00 H new ATOM 737 N PHE A 49 -8.932 1.734 -2.963 1.00 0.00 N ATOM 738 CA PHE A 49 -7.501 1.574 -3.014 1.00 0.00 C ATOM 739 C PHE A 49 -6.852 2.391 -1.908 1.00 0.00 C ATOM 740 O PHE A 49 -7.525 3.189 -1.224 1.00 0.00 O ATOM 741 CB PHE A 49 -6.927 1.977 -4.402 1.00 0.00 C ATOM 742 CG PHE A 49 -6.925 3.451 -4.704 1.00 0.00 C ATOM 743 CD1 PHE A 49 -5.841 4.226 -4.339 1.00 0.00 C ATOM 744 CD2 PHE A 49 -7.987 4.050 -5.347 1.00 0.00 C ATOM 745 CE1 PHE A 49 -5.813 5.578 -4.600 1.00 0.00 C ATOM 746 CE2 PHE A 49 -7.969 5.407 -5.617 1.00 0.00 C ATOM 747 CZ PHE A 49 -6.880 6.173 -5.241 1.00 0.00 C ATOM 0 H PHE A 49 -9.247 2.675 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.272 0.519 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.903 1.609 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.503 1.467 -5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.002 3.764 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.839 3.456 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.959 6.170 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.805 5.868 -6.121 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.865 7.233 -5.448 1.00 0.00 H new ATOM 757 N GLY A 50 -5.581 2.195 -1.732 1.00 0.00 N ATOM 758 CA GLY A 50 -4.840 2.917 -0.768 1.00 0.00 C ATOM 759 C GLY A 50 -3.381 2.995 -1.139 1.00 0.00 C ATOM 760 O GLY A 50 -2.969 2.489 -2.193 1.00 0.00 O ATOM 0 H GLY A 50 -5.032 1.520 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.247 3.924 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.944 2.439 0.206 1.00 0.00 H new ATOM 764 N PHE A 51 -2.606 3.600 -0.282 1.00 0.00 N ATOM 765 CA PHE A 51 -1.186 3.771 -0.487 1.00 0.00 C ATOM 766 C PHE A 51 -0.444 3.348 0.748 1.00 0.00 C ATOM 767 O PHE A 51 -0.908 3.575 1.862 1.00 0.00 O ATOM 768 CB PHE A 51 -0.814 5.231 -0.782 1.00 0.00 C ATOM 769 CG PHE A 51 -1.279 5.784 -2.097 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.599 5.486 -3.263 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.372 6.620 -2.162 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.007 6.011 -4.470 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.786 7.153 -3.364 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.102 6.848 -4.522 1.00 0.00 C ATOM 0 H PHE A 51 -2.945 3.996 0.595 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.912 3.158 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.220 5.855 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.271 5.323 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.262 4.834 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.912 6.861 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.470 5.767 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.644 7.808 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.423 7.263 -5.466 1.00 0.00 H new ATOM 784 N VAL A 52 0.689 2.739 0.558 1.00 0.00 N ATOM 785 CA VAL A 52 1.539 2.339 1.657 1.00 0.00 C ATOM 786 C VAL A 52 2.880 3.041 1.495 1.00 0.00 C ATOM 787 O VAL A 52 3.510 2.932 0.441 1.00 0.00 O ATOM 788 CB VAL A 52 1.764 0.800 1.682 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.557 0.388 2.911 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.444 0.053 1.633 1.00 0.00 C ATOM 0 H VAL A 52 1.057 2.502 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 52 1.057 2.616 2.594 1.00 0.00 H new ATOM 0 HB VAL A 52 2.339 0.536 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.701 -0.692 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.528 0.884 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.012 0.677 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.632 -1.020 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.163 0.330 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.087 0.312 0.717 1.00 0.00 H new ATOM 800 N THR A 53 3.287 3.784 2.489 1.00 0.00 N ATOM 801 CA THR A 53 4.528 4.508 2.439 1.00 0.00 C ATOM 802 C THR A 53 5.640 3.738 3.168 1.00 0.00 C ATOM 803 O THR A 53 5.514 3.402 4.347 1.00 0.00 O ATOM 804 CB THR A 53 4.361 5.918 3.048 1.00 0.00 C ATOM 805 OG1 THR A 53 3.297 6.618 2.360 1.00 0.00 O ATOM 806 CG2 THR A 53 5.649 6.712 2.919 1.00 0.00 C ATOM 0 H THR A 53 2.766 3.904 3.358 1.00 0.00 H new ATOM 0 HA THR A 53 4.815 4.615 1.393 1.00 0.00 H new ATOM 0 HB THR A 53 4.116 5.814 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.081 7.442 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.511 7.702 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.450 6.193 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.911 6.811 1.866 1.00 0.00 H new ATOM 814 N PHE A 54 6.701 3.487 2.457 1.00 0.00 N ATOM 815 CA PHE A 54 7.843 2.759 2.931 1.00 0.00 C ATOM 816 C PHE A 54 8.998 3.694 3.159 1.00 0.00 C ATOM 817 O PHE A 54 9.102 4.737 2.513 1.00 0.00 O ATOM 818 CB PHE A 54 8.282 1.716 1.905 1.00 0.00 C ATOM 819 CG PHE A 54 7.337 0.574 1.719 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.267 0.676 0.850 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.527 -0.608 2.410 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.406 -0.378 0.677 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.668 -1.666 2.241 1.00 0.00 C ATOM 824 CZ PHE A 54 5.604 -1.547 1.372 1.00 0.00 C ATOM 0 H PHE A 54 6.798 3.797 1.490 1.00 0.00 H new ATOM 0 HA PHE A 54 7.558 2.270 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.423 2.211 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.252 1.320 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.107 1.593 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.360 -0.700 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.573 -0.289 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.825 -2.586 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.924 -2.375 1.237 1.00 0.00 H new ATOM 834 N LYS A 55 9.842 3.317 4.071 1.00 0.00 N ATOM 835 CA LYS A 55 11.059 4.045 4.383 1.00 0.00 C ATOM 836 C LYS A 55 12.209 3.543 3.489 1.00 0.00 C ATOM 837 O LYS A 55 13.158 4.267 3.199 1.00 0.00 O ATOM 838 CB LYS A 55 11.386 3.771 5.844 1.00 0.00 C ATOM 839 CG LYS A 55 12.646 4.410 6.390 1.00 0.00 C ATOM 840 CD LYS A 55 12.895 3.866 7.772 1.00 0.00 C ATOM 841 CE LYS A 55 14.201 4.320 8.379 1.00 0.00 C ATOM 842 NZ LYS A 55 14.471 3.565 9.627 1.00 0.00 N1+ ATOM 0 H LYS A 55 9.712 2.479 4.637 1.00 0.00 H new ATOM 0 HA LYS A 55 10.928 5.113 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.544 4.106 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.466 2.692 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.493 4.194 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.538 5.494 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.077 4.170 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.883 2.777 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.014 4.167 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.160 5.388 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.208 4.053 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.600 3.506 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.795 2.606 9.389 1.00 0.00 H new ATOM 856 N ASP A 56 12.088 2.303 3.049 1.00 0.00 N ATOM 857 CA ASP A 56 13.121 1.644 2.253 1.00 0.00 C ATOM 858 C ASP A 56 12.680 1.466 0.814 1.00 0.00 C ATOM 859 O ASP A 56 11.530 1.080 0.540 1.00 0.00 O ATOM 860 CB ASP A 56 13.521 0.289 2.885 1.00 0.00 C ATOM 861 CG ASP A 56 14.390 -0.587 1.987 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.302 -0.080 1.327 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 14.102 -1.805 1.887 1.00 0.00 O ATOM 0 H ASP A 56 11.271 1.720 3.231 1.00 0.00 H new ATOM 0 HA ASP A 56 14.000 2.288 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.055 0.479 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.616 -0.260 3.143 1.00 0.00 H new ATOM 868 N GLU A 57 13.604 1.724 -0.084 1.00 0.00 N ATOM 869 CA GLU A 57 13.389 1.654 -1.513 1.00 0.00 C ATOM 870 C GLU A 57 13.216 0.209 -1.931 1.00 0.00 C ATOM 871 O GLU A 57 12.313 -0.130 -2.714 1.00 0.00 O ATOM 872 CB GLU A 57 14.594 2.254 -2.225 1.00 0.00 C ATOM 873 CG GLU A 57 14.459 2.354 -3.728 1.00 0.00 C ATOM 874 CD GLU A 57 15.680 2.964 -4.353 1.00 0.00 C ATOM 875 OE1 GLU A 57 15.812 4.212 -4.304 1.00 0.00 O ATOM 876 OE2 GLU A 57 16.512 2.210 -4.880 1.00 0.00 O1- ATOM 0 H GLU A 57 14.554 1.997 0.167 1.00 0.00 H new ATOM 0 HA GLU A 57 12.491 2.211 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.776 3.251 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.472 1.652 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.293 1.361 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.584 2.955 -3.976 1.00 0.00 H new ATOM 883 N LYS A 58 14.041 -0.649 -1.350 1.00 0.00 N ATOM 884 CA LYS A 58 14.022 -2.059 -1.661 1.00 0.00 C ATOM 885 C LYS A 58 12.686 -2.649 -1.240 1.00 0.00 C ATOM 886 O LYS A 58 12.017 -3.301 -2.024 1.00 0.00 O ATOM 887 CB LYS A 58 15.159 -2.781 -0.934 1.00 0.00 C ATOM 888 CG LYS A 58 15.102 -4.292 -1.083 1.00 0.00 C ATOM 889 CD LYS A 58 15.973 -5.029 -0.067 1.00 0.00 C ATOM 890 CE LYS A 58 15.648 -4.638 1.393 1.00 0.00 C ATOM 891 NZ LYS A 58 14.191 -4.509 1.664 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.737 -0.383 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 58 14.158 -2.188 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.113 -2.421 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.124 -2.525 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.069 -4.623 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.420 -4.564 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.837 -6.103 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.022 -4.815 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.069 -5.387 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.137 -3.692 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.998 -4.767 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.893 -3.527 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.663 -5.143 1.031 1.00 0.00 H new ATOM 905 N ALA A 59 12.300 -2.350 -0.003 1.00 0.00 N ATOM 906 CA ALA A 59 11.066 -2.832 0.610 1.00 0.00 C ATOM 907 C ALA A 59 9.852 -2.482 -0.203 1.00 0.00 C ATOM 908 O ALA A 59 8.887 -3.235 -0.228 1.00 0.00 O ATOM 909 CB ALA A 59 10.917 -2.277 2.005 1.00 0.00 C ATOM 0 H ALA A 59 12.849 -1.752 0.615 1.00 0.00 H new ATOM 0 HA ALA A 59 11.138 -3.919 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.992 -2.647 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.763 -2.594 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.889 -1.188 1.962 1.00 0.00 H new ATOM 915 N MET A 60 9.893 -1.337 -0.870 1.00 0.00 N ATOM 916 CA MET A 60 8.793 -0.939 -1.716 1.00 0.00 C ATOM 917 C MET A 60 8.648 -1.935 -2.857 1.00 0.00 C ATOM 918 O MET A 60 7.547 -2.324 -3.201 1.00 0.00 O ATOM 919 CB MET A 60 8.986 0.468 -2.277 1.00 0.00 C ATOM 920 CG MET A 60 7.819 0.938 -3.148 1.00 0.00 C ATOM 921 SD MET A 60 8.112 2.528 -3.937 1.00 0.00 S ATOM 922 CE MET A 60 9.558 2.132 -4.925 1.00 0.00 C ATOM 0 H MET A 60 10.671 -0.678 -0.838 1.00 0.00 H new ATOM 0 HA MET A 60 7.887 -0.929 -1.109 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.118 1.166 -1.450 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.903 0.494 -2.866 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.624 0.190 -3.916 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.921 1.005 -2.534 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.537 2.710 -5.849 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.460 2.377 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.556 1.068 -5.163 1.00 0.00 H new ATOM 932 N ARG A 61 9.771 -2.381 -3.397 1.00 0.00 N ATOM 933 CA ARG A 61 9.756 -3.342 -4.483 1.00 0.00 C ATOM 934 C ARG A 61 9.438 -4.728 -3.972 1.00 0.00 C ATOM 935 O ARG A 61 8.639 -5.430 -4.573 1.00 0.00 O ATOM 936 CB ARG A 61 11.059 -3.353 -5.284 1.00 0.00 C ATOM 937 CG ARG A 61 11.362 -2.060 -6.029 1.00 0.00 C ATOM 938 CD ARG A 61 10.170 -1.579 -6.862 1.00 0.00 C ATOM 939 NE ARG A 61 9.599 -2.622 -7.744 1.00 0.00 N ATOM 940 CZ ARG A 61 8.949 -2.382 -8.886 1.00 0.00 C ATOM 941 NH1 ARG A 61 8.873 -1.143 -9.379 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 8.346 -3.377 -9.516 1.00 0.00 N ATOM 0 H ARG A 61 10.703 -2.092 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 61 8.967 -3.025 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.885 -3.567 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.019 -4.170 -6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.638 -1.286 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.222 -2.212 -6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.391 -1.218 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.483 -0.732 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 61 9.710 -3.595 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.314 -0.369 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.374 -0.971 -10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.379 -4.320 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.848 -3.201 -10.388 1.00 0.00 H new ATOM 956 N ASP A 62 10.026 -5.094 -2.822 1.00 0.00 N ATOM 957 CA ASP A 62 9.766 -6.410 -2.178 1.00 0.00 C ATOM 958 C ASP A 62 8.266 -6.584 -1.980 1.00 0.00 C ATOM 959 O ASP A 62 7.710 -7.667 -2.139 1.00 0.00 O ATOM 960 CB ASP A 62 10.424 -6.531 -0.781 1.00 0.00 C ATOM 961 CG ASP A 62 11.935 -6.388 -0.723 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.642 -7.031 -1.501 1.00 0.00 O ATOM 963 OD2 ASP A 62 12.428 -5.648 0.173 1.00 0.00 O1- ATOM 0 H ASP A 62 10.685 -4.505 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 62 10.189 -7.170 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.986 -5.773 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.158 -7.502 -0.363 1.00 0.00 H new ATOM 968 N ALA A 63 7.618 -5.478 -1.671 1.00 0.00 N ATOM 969 CA ALA A 63 6.202 -5.428 -1.430 1.00 0.00 C ATOM 970 C ALA A 63 5.414 -5.656 -2.715 1.00 0.00 C ATOM 971 O ALA A 63 4.386 -6.325 -2.714 1.00 0.00 O ATOM 972 CB ALA A 63 5.862 -4.079 -0.850 1.00 0.00 C ATOM 0 H ALA A 63 8.078 -4.572 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 63 5.931 -6.220 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.790 -4.024 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.403 -3.938 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.147 -3.298 -1.555 1.00 0.00 H new ATOM 978 N ILE A 64 5.903 -5.111 -3.800 1.00 0.00 N ATOM 979 CA ILE A 64 5.232 -5.211 -5.083 1.00 0.00 C ATOM 980 C ILE A 64 5.417 -6.592 -5.658 1.00 0.00 C ATOM 981 O ILE A 64 4.447 -7.289 -5.938 1.00 0.00 O ATOM 982 CB ILE A 64 5.758 -4.148 -6.073 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.563 -2.762 -5.473 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.024 -4.250 -7.416 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.303 -1.681 -6.199 1.00 0.00 C ATOM 0 H ILE A 64 6.776 -4.585 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 64 4.169 -5.028 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 64 6.819 -4.322 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.499 -2.523 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.888 -2.777 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.409 -3.493 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.184 -5.240 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.957 -4.090 -7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.116 -0.723 -5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.372 -1.895 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.961 -1.637 -7.233 1.00 0.00 H new ATOM 997 N GLU A 65 6.661 -7.000 -5.754 1.00 0.00 N ATOM 998 CA GLU A 65 7.031 -8.279 -6.304 1.00 0.00 C ATOM 999 C GLU A 65 6.553 -9.449 -5.422 1.00 0.00 C ATOM 1000 O GLU A 65 6.480 -10.588 -5.877 1.00 0.00 O ATOM 1001 CB GLU A 65 8.557 -8.342 -6.525 1.00 0.00 C ATOM 1002 CG GLU A 65 9.101 -7.632 -7.791 1.00 0.00 C ATOM 1003 CD GLU A 65 8.802 -6.139 -7.901 1.00 0.00 C ATOM 1004 OE1 GLU A 65 9.566 -5.307 -7.373 1.00 0.00 O1- ATOM 1005 OE2 GLU A 65 7.828 -5.771 -8.572 1.00 0.00 O ATOM 0 H GLU A 65 7.457 -6.441 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 65 6.530 -8.383 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.046 -7.908 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.853 -9.390 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.182 -7.769 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.689 -8.131 -8.668 1.00 0.00 H new ATOM 1012 N GLY A 66 6.241 -9.160 -4.169 1.00 0.00 N ATOM 1013 CA GLY A 66 5.779 -10.188 -3.267 1.00 0.00 C ATOM 1014 C GLY A 66 4.262 -10.240 -3.102 1.00 0.00 C ATOM 1015 O GLY A 66 3.680 -11.315 -3.081 1.00 0.00 O ATOM 0 H GLY A 66 6.300 -8.227 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.127 -11.156 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.234 -10.030 -2.289 1.00 0.00 H new ATOM 1019 N MET A 67 3.614 -9.088 -2.998 1.00 0.00 N ATOM 1020 CA MET A 67 2.167 -9.062 -2.718 1.00 0.00 C ATOM 1021 C MET A 67 1.297 -8.845 -3.943 1.00 0.00 C ATOM 1022 O MET A 67 0.068 -8.735 -3.811 1.00 0.00 O ATOM 1023 CB MET A 67 1.785 -8.007 -1.665 1.00 0.00 C ATOM 1024 CG MET A 67 2.081 -8.354 -0.209 1.00 0.00 C ATOM 1025 SD MET A 67 3.820 -8.422 0.224 1.00 0.00 S ATOM 1026 CE MET A 67 3.679 -8.815 1.969 1.00 0.00 C ATOM 0 H MET A 67 4.048 -8.171 -3.099 1.00 0.00 H new ATOM 0 HA MET A 67 1.969 -10.062 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.306 -7.081 -1.907 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.718 -7.806 -1.757 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.593 -7.617 0.429 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.629 -9.320 0.016 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.572 -8.472 2.492 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.802 -8.319 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.578 -9.893 2.092 1.00 0.00 H new ATOM 1036 N ASN A 68 1.882 -8.767 -5.113 1.00 0.00 N ATOM 1037 CA ASN A 68 1.085 -8.523 -6.323 1.00 0.00 C ATOM 1038 C ASN A 68 0.154 -9.702 -6.608 1.00 0.00 C ATOM 1039 O ASN A 68 0.606 -10.816 -6.835 1.00 0.00 O ATOM 1040 CB ASN A 68 1.986 -8.282 -7.547 1.00 0.00 C ATOM 1041 CG ASN A 68 1.205 -7.896 -8.804 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.748 -8.738 -9.559 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.083 -6.609 -9.062 1.00 0.00 N ATOM 0 H ASN A 68 2.885 -8.865 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 68 0.490 -7.628 -6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.700 -7.492 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.563 -9.185 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.599 -6.302 -9.906 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.472 -5.921 -8.418 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.146 -9.454 -6.541 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.110 -10.460 -6.914 1.00 0.00 C ATOM 1052 C GLY A 69 -2.517 -11.382 -5.782 1.00 0.00 C ATOM 1053 O GLY A 69 -3.415 -12.220 -5.961 1.00 0.00 O ATOM 0 H GLY A 69 -1.548 -8.569 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.001 -9.967 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.697 -11.060 -7.725 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.897 -11.242 -4.614 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.230 -12.126 -3.503 1.00 0.00 C ATOM 1059 C GLN A 70 -3.570 -11.739 -2.897 1.00 0.00 C ATOM 1060 O GLN A 70 -4.084 -10.634 -3.143 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.158 -12.138 -2.397 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.088 -10.862 -1.566 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.198 -11.004 -0.347 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.765 -11.746 -0.345 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.532 -10.303 0.711 1.00 0.00 N ATOM 0 H GLN A 70 -1.180 -10.544 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.281 -13.131 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.351 -12.979 -1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.184 -12.311 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.717 -10.048 -2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.093 -10.586 -1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.346 -9.689 0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.022 -10.373 1.565 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.114 -12.624 -2.107 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.370 -12.370 -1.443 1.00 0.00 C ATOM 1076 C ASP A 71 -5.098 -11.742 -0.107 1.00 0.00 C ATOM 1077 O ASP A 71 -4.112 -12.084 0.568 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.175 -13.663 -1.229 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.543 -13.402 -0.585 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.626 -13.232 0.666 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.533 -13.348 -1.316 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.705 -13.536 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.957 -11.705 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.317 -14.162 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.603 -14.343 -0.598 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.898 -10.797 0.239 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.864 -10.210 1.523 1.00 0.00 C ATOM 1088 C LEU A 72 -7.316 -9.963 1.893 1.00 0.00 C ATOM 1089 O LEU A 72 -7.965 -9.127 1.273 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.047 -8.884 1.468 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.495 -8.294 2.798 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.607 -7.096 2.507 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.599 -7.877 3.761 1.00 0.00 C ATOM 0 H LEU A 72 -6.608 -10.405 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.380 -10.844 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.200 -9.044 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.678 -8.125 1.006 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.921 -9.086 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.225 -6.690 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.772 -7.406 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.186 -6.331 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.155 -7.473 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.222 -7.115 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.211 -8.744 4.010 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.828 -10.767 2.833 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.206 -10.635 3.381 1.00 0.00 C ATOM 1107 C ASP A 73 -10.282 -10.916 2.286 1.00 0.00 C ATOM 1108 O ASP A 73 -11.393 -10.377 2.286 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.372 -9.249 4.086 1.00 0.00 C ATOM 1110 CG ASP A 73 -10.743 -8.994 4.726 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -11.063 -9.648 5.721 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -11.474 -8.069 4.253 1.00 0.00 O1- ATOM 0 H ASP A 73 -7.302 -11.538 3.246 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.366 -11.397 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.608 -9.160 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.180 -8.464 3.355 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.949 -11.803 1.363 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.901 -12.190 0.352 1.00 0.00 C ATOM 1119 C GLY A 74 -10.881 -11.274 -0.843 1.00 0.00 C ATOM 1120 O GLY A 74 -11.914 -11.095 -1.538 1.00 0.00 O ATOM 0 H GLY A 74 -9.039 -12.259 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.687 -13.209 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.902 -12.196 0.784 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.775 -10.616 -1.051 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.623 -9.790 -2.202 1.00 0.00 C ATOM 1126 C ARG A 75 -8.231 -9.936 -2.763 1.00 0.00 C ATOM 1127 O ARG A 75 -7.262 -9.942 -2.009 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.845 -8.335 -1.876 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.329 -7.551 -3.068 1.00 0.00 C ATOM 1130 CD ARG A 75 -11.825 -7.725 -3.227 1.00 0.00 C ATOM 1131 NE ARG A 75 -12.549 -6.989 -2.175 1.00 0.00 N ATOM 1132 CZ ARG A 75 -13.386 -7.506 -1.268 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -13.443 -8.820 -1.058 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -14.097 -6.687 -0.494 1.00 0.00 N ATOM 0 H ARG A 75 -8.965 -10.640 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.369 -10.112 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.573 -8.252 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.914 -7.900 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.088 -6.495 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.817 -7.889 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.136 -7.366 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.080 -8.784 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.396 -5.981 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.843 -9.448 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.087 -9.198 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.000 -5.677 -0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.738 -7.070 0.201 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.126 -10.026 -4.062 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.825 -10.018 -4.709 1.00 0.00 C ATOM 1150 C ASN A 76 -6.410 -8.592 -4.874 1.00 0.00 C ATOM 1151 O ASN A 76 -6.988 -7.846 -5.674 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.836 -10.715 -6.083 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.168 -12.188 -6.016 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.326 -12.575 -6.100 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -6.162 -13.022 -5.894 1.00 0.00 N ATOM 0 H ASN A 76 -8.919 -10.106 -4.699 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.125 -10.574 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.561 -10.217 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.859 -10.593 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.333 -14.027 -5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.209 -12.665 -5.826 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.449 -8.205 -4.108 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.975 -6.855 -4.106 1.00 0.00 C ATOM 1164 C ILE A 77 -4.008 -6.602 -5.256 1.00 0.00 C ATOM 1165 O ILE A 77 -3.146 -7.440 -5.584 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.307 -6.482 -2.764 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.239 -7.515 -2.388 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.360 -6.375 -1.663 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.327 -7.067 -1.274 1.00 0.00 C ATOM 0 H ILE A 77 -4.962 -8.820 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.849 -6.218 -4.240 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.820 -5.513 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.731 -8.442 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.638 -7.740 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.877 -6.112 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.085 -5.605 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.870 -7.332 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.598 -7.850 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.807 -6.157 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.916 -6.870 -0.378 1.00 0.00 H new ATOM 1181 N THR A 78 -4.147 -5.469 -5.861 1.00 0.00 N ATOM 1182 CA THR A 78 -3.303 -5.083 -6.940 1.00 0.00 C ATOM 1183 C THR A 78 -2.262 -4.122 -6.393 1.00 0.00 C ATOM 1184 O THR A 78 -2.588 -3.023 -5.946 1.00 0.00 O ATOM 1185 CB THR A 78 -4.134 -4.408 -8.043 1.00 0.00 C ATOM 1186 OG1 THR A 78 -5.210 -5.281 -8.403 1.00 0.00 O ATOM 1187 CG2 THR A 78 -3.279 -4.129 -9.277 1.00 0.00 C ATOM 0 H THR A 78 -4.857 -4.779 -5.617 1.00 0.00 H new ATOM 0 HA THR A 78 -2.815 -5.955 -7.376 1.00 0.00 H new ATOM 0 HB THR A 78 -4.516 -3.459 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.750 -4.862 -9.105 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.890 -3.651 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.455 -3.469 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.881 -5.067 -9.664 1.00 0.00 H new ATOM 1195 N VAL A 79 -1.032 -4.546 -6.430 1.00 0.00 N ATOM 1196 CA VAL A 79 0.064 -3.820 -5.836 1.00 0.00 C ATOM 1197 C VAL A 79 1.007 -3.320 -6.930 1.00 0.00 C ATOM 1198 O VAL A 79 1.450 -4.110 -7.766 1.00 0.00 O ATOM 1199 CB VAL A 79 0.833 -4.768 -4.865 1.00 0.00 C ATOM 1200 CG1 VAL A 79 1.987 -4.074 -4.203 1.00 0.00 C ATOM 1201 CG2 VAL A 79 -0.104 -5.335 -3.811 1.00 0.00 C ATOM 0 H VAL A 79 -0.753 -5.418 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.319 -2.962 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 79 1.232 -5.586 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.495 -4.770 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.686 -3.724 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.619 -3.223 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.454 -5.993 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.539 -4.519 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.899 -5.900 -4.297 1.00 0.00 H new ATOM 1211 N ASN A 80 1.274 -2.024 -6.948 1.00 0.00 N ATOM 1212 CA ASN A 80 2.187 -1.436 -7.932 1.00 0.00 C ATOM 1213 C ASN A 80 2.959 -0.266 -7.323 1.00 0.00 C ATOM 1214 O ASN A 80 2.663 0.172 -6.211 1.00 0.00 O ATOM 1215 CB ASN A 80 1.467 -0.999 -9.231 1.00 0.00 C ATOM 1216 CG ASN A 80 0.503 0.161 -9.052 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.881 1.313 -9.160 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.743 -0.140 -8.809 1.00 0.00 N ATOM 0 H ASN A 80 0.873 -1.352 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 80 2.892 -2.218 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.217 -0.722 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.920 -1.852 -9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.436 0.601 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.025 -1.117 -8.725 1.00 0.00 H new ATOM 1225 N GLU A 81 3.922 0.243 -8.059 1.00 0.00 N ATOM 1226 CA GLU A 81 4.821 1.259 -7.582 1.00 0.00 C ATOM 1227 C GLU A 81 4.220 2.650 -7.749 1.00 0.00 C ATOM 1228 O GLU A 81 4.022 3.138 -8.871 1.00 0.00 O ATOM 1229 CB GLU A 81 6.133 1.156 -8.343 1.00 0.00 C ATOM 1230 CG GLU A 81 7.208 2.079 -7.847 1.00 0.00 C ATOM 1231 CD GLU A 81 8.456 1.983 -8.679 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.537 2.668 -9.709 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.354 1.192 -8.317 1.00 0.00 O1- ATOM 0 H GLU A 81 4.102 -0.045 -9.021 1.00 0.00 H new ATOM 0 HA GLU A 81 4.998 1.103 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.495 0.130 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.946 1.367 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.840 3.105 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.443 1.838 -6.810 1.00 0.00 H new ATOM 1240 N ALA A 82 3.950 3.292 -6.643 1.00 0.00 N ATOM 1241 CA ALA A 82 3.384 4.612 -6.664 1.00 0.00 C ATOM 1242 C ALA A 82 4.480 5.654 -6.594 1.00 0.00 C ATOM 1243 O ALA A 82 4.268 6.803 -6.982 1.00 0.00 O ATOM 1244 CB ALA A 82 2.416 4.804 -5.512 1.00 0.00 C ATOM 0 H ALA A 82 4.115 2.917 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 82 2.837 4.731 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.001 5.811 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.609 4.076 -5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.942 4.663 -4.568 1.00 0.00 H new ATOM 1250 N GLN A 83 5.664 5.230 -6.134 1.00 0.00 N ATOM 1251 CA GLN A 83 6.833 6.117 -5.918 1.00 0.00 C ATOM 1252 C GLN A 83 6.513 7.246 -4.947 1.00 0.00 C ATOM 1253 O GLN A 83 5.457 7.247 -4.305 1.00 0.00 O ATOM 1254 CB GLN A 83 7.386 6.680 -7.253 1.00 0.00 C ATOM 1255 CG GLN A 83 8.118 5.649 -8.089 1.00 0.00 C ATOM 1256 CD GLN A 83 9.426 5.199 -7.445 1.00 0.00 C ATOM 1257 OE1 GLN A 83 9.586 5.254 -6.238 1.00 0.00 O ATOM 1258 NE2 GLN A 83 10.313 4.672 -8.228 1.00 0.00 N ATOM 0 H GLN A 83 5.847 4.255 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 83 7.613 5.502 -5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.560 7.088 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.062 7.507 -7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.473 4.783 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.326 6.066 -9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.151 4.641 -9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.174 4.288 -7.838 1.00 0.00 H new ATOM 1267 N SER A 84 7.417 8.184 -4.819 1.00 0.00 N ATOM 1268 CA SER A 84 7.215 9.372 -4.008 1.00 0.00 C ATOM 1269 C SER A 84 6.254 10.339 -4.756 1.00 0.00 C ATOM 1270 O SER A 84 6.575 11.484 -5.043 1.00 0.00 O ATOM 1271 CB SER A 84 8.577 10.020 -3.808 1.00 0.00 C ATOM 1272 OG SER A 84 9.545 9.017 -3.523 1.00 0.00 O ATOM 0 H SER A 84 8.327 8.150 -5.278 1.00 0.00 H new ATOM 0 HA SER A 84 6.772 9.128 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.863 10.572 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.532 10.739 -2.990 1.00 0.00 H new ATOM 0 HG SER A 84 9.431 8.705 -2.601 1.00 0.00 H new ATOM 1278 N ARG A 85 5.086 9.830 -5.089 1.00 0.00 N ATOM 1279 CA ARG A 85 4.074 10.557 -5.828 1.00 0.00 C ATOM 1280 C ARG A 85 2.761 10.475 -5.072 1.00 0.00 C ATOM 1281 O ARG A 85 2.682 9.767 -4.046 1.00 0.00 O ATOM 1282 CB ARG A 85 3.911 9.962 -7.248 1.00 0.00 C ATOM 1283 CG ARG A 85 5.167 10.054 -8.122 1.00 0.00 C ATOM 1284 CD ARG A 85 4.993 9.358 -9.482 1.00 0.00 C ATOM 1285 NE ARG A 85 4.819 7.891 -9.359 1.00 0.00 N ATOM 1286 CZ ARG A 85 5.014 6.981 -10.346 1.00 0.00 C ATOM 1287 NH1 ARG A 85 5.370 7.383 -11.571 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 4.849 5.673 -10.100 1.00 0.00 N ATOM 0 H ARG A 85 4.807 8.879 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 85 4.376 11.600 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.621 8.915 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.094 10.477 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.416 11.103 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.007 9.604 -7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.128 9.780 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.863 9.565 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 85 4.526 7.533 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.496 8.376 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.516 6.696 -12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.576 5.360 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.996 4.991 -10.844 1.00 0.00 H new TER 1302 ARG A 85