USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 694 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 52 GLN : amide:sc= -22.3! C(o=-36!,f=-32!) USER MOD Set 1.2: A 80 ASN : amide:sc= -13.8! C(o=-36!,f=-36!) USER MOD Single : A 22 MET CE :methyl -140:sc= -9.72! (180deg=-15.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.86! C(o=-1.9!,f=-7.9!) USER MOD Single : A 27 GLN : amide:sc= -0.445 K(o=-0.44,f=-2.7!) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.421) USER MOD Single : A 33 GLN : amide:sc= -6.42! C(o=-6.4!,f=-5.1!) USER MOD Single : A 36 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-4.1!) USER MOD Single : A 46 HIS : no HE2:sc= -2.76! C(o=-2.8!,f=-2.4!) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.0398 (180deg=-0.58) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.556) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -0.0337 (180deg=-0.405) USER MOD Single : A 82 ASN : amide:sc= -0.24 K(o=-0.24,f=-3.1!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -2.78! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -2.211 16.457 4.206 1.00 0.00 N ATOM 2 CA GLY A 17 -1.503 17.075 3.050 1.00 0.00 C ATOM 3 C GLY A 17 -0.180 16.345 2.813 1.00 0.00 C ATOM 4 O GLY A 17 0.884 16.926 2.895 1.00 0.00 O ATOM 0 HA2 GLY A 17 -2.126 17.021 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.318 18.131 3.246 1.00 0.00 H new ATOM 10 N GLU A 18 -0.236 15.073 2.518 1.00 0.00 N ATOM 11 CA GLU A 18 1.020 14.308 2.277 1.00 0.00 C ATOM 12 C GLU A 18 0.876 13.425 1.033 1.00 0.00 C ATOM 13 O GLU A 18 -0.184 13.332 0.445 1.00 0.00 O ATOM 14 CB GLU A 18 1.212 13.451 3.526 1.00 0.00 C ATOM 15 CG GLU A 18 2.141 14.174 4.503 1.00 0.00 C ATOM 16 CD GLU A 18 3.003 13.151 5.245 1.00 0.00 C ATOM 17 OE1 GLU A 18 3.014 12.003 4.831 1.00 0.00 O ATOM 18 OE2 GLU A 18 3.639 13.533 6.213 1.00 0.00 O ATOM 0 H GLU A 18 -1.097 14.532 2.434 1.00 0.00 H new ATOM 0 HA GLU A 18 1.872 14.964 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.249 13.258 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.634 12.483 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.776 14.877 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.555 14.755 5.215 1.00 0.00 H new ATOM 25 N GLU A 19 1.940 12.783 0.632 1.00 0.00 N ATOM 26 CA GLU A 19 1.889 11.905 -0.573 1.00 0.00 C ATOM 27 C GLU A 19 0.561 11.147 -0.644 1.00 0.00 C ATOM 28 O GLU A 19 -0.072 11.081 -1.680 1.00 0.00 O ATOM 29 CB GLU A 19 3.048 10.928 -0.387 1.00 0.00 C ATOM 30 CG GLU A 19 4.294 11.472 -1.087 1.00 0.00 C ATOM 31 CD GLU A 19 5.265 12.027 -0.042 1.00 0.00 C ATOM 32 OE1 GLU A 19 5.385 11.417 1.008 1.00 0.00 O ATOM 33 OE2 GLU A 19 5.872 13.051 -0.310 1.00 0.00 O ATOM 0 H GLU A 19 2.850 12.829 1.091 1.00 0.00 H new ATOM 0 HA GLU A 19 1.967 12.477 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.249 10.784 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.785 9.953 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.775 10.681 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.015 12.255 -1.792 1.00 0.00 H new ATOM 40 N PHE A 20 0.144 10.563 0.441 1.00 0.00 N ATOM 41 CA PHE A 20 -1.134 9.795 0.430 1.00 0.00 C ATOM 42 C PHE A 20 -2.147 10.410 1.404 1.00 0.00 C ATOM 43 O PHE A 20 -1.815 11.271 2.196 1.00 0.00 O ATOM 44 CB PHE A 20 -0.714 8.387 0.854 1.00 0.00 C ATOM 45 CG PHE A 20 0.288 7.865 -0.152 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.162 7.211 -1.305 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.666 8.054 0.053 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.757 6.742 -2.248 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.583 7.585 -0.896 1.00 0.00 C ATOM 50 CZ PHE A 20 2.130 6.930 -2.045 1.00 0.00 C ATOM 0 H PHE A 20 0.631 10.583 1.337 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.631 9.800 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.275 8.406 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.582 7.730 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.220 7.069 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.017 8.560 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.408 6.234 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.642 7.730 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.839 6.569 -2.776 1.00 0.00 H new ATOM 60 N ARG A 21 -3.389 9.993 1.339 1.00 0.00 N ATOM 61 CA ARG A 21 -4.422 10.577 2.247 1.00 0.00 C ATOM 62 C ARG A 21 -4.388 9.908 3.622 1.00 0.00 C ATOM 63 O ARG A 21 -4.290 10.561 4.641 1.00 0.00 O ATOM 64 CB ARG A 21 -5.764 10.290 1.574 1.00 0.00 C ATOM 65 CG ARG A 21 -5.935 11.202 0.364 1.00 0.00 C ATOM 66 CD ARG A 21 -5.437 10.469 -0.875 1.00 0.00 C ATOM 67 NE ARG A 21 -5.972 11.247 -2.026 1.00 0.00 N ATOM 68 CZ ARG A 21 -7.261 11.366 -2.189 1.00 0.00 C ATOM 69 NH1 ARG A 21 -8.082 10.648 -1.471 1.00 0.00 N ATOM 70 NH2 ARG A 21 -7.731 12.204 -3.072 1.00 0.00 N ATOM 0 H ARG A 21 -3.729 9.276 0.698 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.250 11.642 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.811 9.246 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.578 10.450 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.983 11.478 0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.376 12.127 0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.348 10.429 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.795 9.439 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.331 11.687 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.716 9.992 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.089 10.743 -1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.091 12.765 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.739 12.298 -3.200 1.00 0.00 H new ATOM 84 N MET A 22 -4.490 8.610 3.655 1.00 0.00 N ATOM 85 CA MET A 22 -4.490 7.893 4.960 1.00 0.00 C ATOM 86 C MET A 22 -3.066 7.764 5.504 1.00 0.00 C ATOM 87 O MET A 22 -2.116 7.615 4.761 1.00 0.00 O ATOM 88 CB MET A 22 -5.066 6.514 4.640 1.00 0.00 C ATOM 89 CG MET A 22 -6.375 6.677 3.868 1.00 0.00 C ATOM 90 SD MET A 22 -7.228 5.083 3.785 1.00 0.00 S ATOM 91 CE MET A 22 -7.199 4.901 1.985 1.00 0.00 C ATOM 0 H MET A 22 -4.574 8.013 2.833 1.00 0.00 H new ATOM 0 HA MET A 22 -5.067 8.419 5.721 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.353 5.938 4.051 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.241 5.958 5.561 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.009 7.416 4.358 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.173 7.047 2.863 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.149 4.488 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.041 5.876 1.523 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.389 4.229 1.700 1.00 0.00 H new ATOM 101 N GLU A 23 -2.916 7.825 6.797 1.00 0.00 N ATOM 102 CA GLU A 23 -1.558 7.708 7.396 1.00 0.00 C ATOM 103 C GLU A 23 -1.007 6.298 7.185 1.00 0.00 C ATOM 104 O GLU A 23 0.134 6.021 7.487 1.00 0.00 O ATOM 105 CB GLU A 23 -1.751 7.999 8.881 1.00 0.00 C ATOM 106 CG GLU A 23 -0.421 7.809 9.615 1.00 0.00 C ATOM 107 CD GLU A 23 -0.320 8.819 10.761 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.847 9.909 10.612 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.284 8.484 11.766 1.00 0.00 O ATOM 0 H GLU A 23 -3.676 7.951 7.466 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.845 8.395 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.112 9.018 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.507 7.334 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.350 6.793 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.411 7.944 8.923 1.00 0.00 H new ATOM 116 N LYS A 24 -1.800 5.405 6.656 1.00 0.00 N ATOM 117 CA LYS A 24 -1.288 4.028 6.413 1.00 0.00 C ATOM 118 C LYS A 24 -0.405 4.053 5.165 1.00 0.00 C ATOM 119 O LYS A 24 0.697 3.537 5.159 1.00 0.00 O ATOM 120 CB LYS A 24 -2.526 3.151 6.204 1.00 0.00 C ATOM 121 CG LYS A 24 -3.279 3.600 4.952 1.00 0.00 C ATOM 122 CD LYS A 24 -4.570 2.792 4.816 1.00 0.00 C ATOM 123 CE LYS A 24 -4.243 1.389 4.297 1.00 0.00 C ATOM 124 NZ LYS A 24 -4.862 0.462 5.285 1.00 0.00 N ATOM 0 H LYS A 24 -2.770 5.568 6.385 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.688 3.643 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.230 2.107 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.179 3.216 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.508 4.664 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.655 3.460 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.073 2.726 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.255 3.294 4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.651 1.232 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.166 1.233 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.681 -0.521 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.450 0.630 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.888 0.629 5.322 1.00 0.00 H new ATOM 138 N LEU A 25 -0.863 4.687 4.116 1.00 0.00 N ATOM 139 CA LEU A 25 -0.030 4.782 2.888 1.00 0.00 C ATOM 140 C LEU A 25 1.135 5.727 3.175 1.00 0.00 C ATOM 141 O LEU A 25 2.271 5.447 2.856 1.00 0.00 O ATOM 142 CB LEU A 25 -0.945 5.366 1.808 1.00 0.00 C ATOM 143 CG LEU A 25 -2.141 4.439 1.550 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.711 4.734 0.165 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.704 2.972 1.599 1.00 0.00 C ATOM 0 H LEU A 25 -1.775 5.140 4.060 1.00 0.00 H new ATOM 0 HA LEU A 25 0.375 3.821 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.301 6.349 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.382 5.507 0.885 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.893 4.614 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.561 4.079 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.036 5.773 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.943 4.560 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.565 2.330 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.946 2.792 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.289 2.749 2.582 1.00 0.00 H new ATOM 157 N ASN A 26 0.859 6.839 3.805 1.00 0.00 N ATOM 158 CA ASN A 26 1.951 7.793 4.144 1.00 0.00 C ATOM 159 C ASN A 26 3.021 7.056 4.947 1.00 0.00 C ATOM 160 O ASN A 26 4.195 7.113 4.645 1.00 0.00 O ATOM 161 CB ASN A 26 1.291 8.867 5.009 1.00 0.00 C ATOM 162 CG ASN A 26 0.850 10.040 4.134 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.505 10.372 3.166 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.241 10.689 4.439 1.00 0.00 N ATOM 0 H ASN A 26 -0.075 7.126 4.098 1.00 0.00 H new ATOM 0 HA ASN A 26 2.425 8.223 3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.431 8.448 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.989 9.213 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.544 11.475 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.790 10.410 5.252 1.00 0.00 H new ATOM 171 N GLN A 27 2.610 6.354 5.967 1.00 0.00 N ATOM 172 CA GLN A 27 3.583 5.595 6.797 1.00 0.00 C ATOM 173 C GLN A 27 4.345 4.610 5.913 1.00 0.00 C ATOM 174 O GLN A 27 5.542 4.455 6.035 1.00 0.00 O ATOM 175 CB GLN A 27 2.732 4.850 7.824 1.00 0.00 C ATOM 176 CG GLN A 27 2.618 5.691 9.097 1.00 0.00 C ATOM 177 CD GLN A 27 3.160 4.894 10.285 1.00 0.00 C ATOM 178 OE1 GLN A 27 3.262 3.685 10.223 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.512 5.523 11.373 1.00 0.00 N ATOM 0 H GLN A 27 1.637 6.274 6.261 1.00 0.00 H new ATOM 0 HA GLN A 27 4.320 6.239 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.741 4.652 7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.182 3.884 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.177 6.620 8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.578 5.964 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.427 6.538 11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.873 5.000 12.171 1.00 0.00 H new ATOM 188 N LEU A 28 3.664 3.949 5.016 1.00 0.00 N ATOM 189 CA LEU A 28 4.370 2.991 4.121 1.00 0.00 C ATOM 190 C LEU A 28 5.397 3.750 3.285 1.00 0.00 C ATOM 191 O LEU A 28 6.580 3.659 3.516 1.00 0.00 O ATOM 192 CB LEU A 28 3.287 2.391 3.219 1.00 0.00 C ATOM 193 CG LEU A 28 3.154 0.896 3.505 1.00 0.00 C ATOM 194 CD1 LEU A 28 1.969 0.658 4.443 1.00 0.00 C ATOM 195 CD2 LEU A 28 2.924 0.148 2.189 1.00 0.00 C ATOM 0 H LEU A 28 2.658 4.030 4.866 1.00 0.00 H new ATOM 0 HA LEU A 28 4.897 2.215 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.335 2.891 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.542 2.550 2.171 1.00 0.00 H new ATOM 0 HG LEU A 28 4.066 0.532 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.875 -0.409 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.132 1.193 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.055 1.020 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.829 -0.919 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.011 0.512 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.769 0.318 1.521 1.00 0.00 H new ATOM 207 N TRP A 29 4.942 4.506 2.329 1.00 0.00 N ATOM 208 CA TRP A 29 5.866 5.295 1.469 1.00 0.00 C ATOM 209 C TRP A 29 7.040 5.857 2.290 1.00 0.00 C ATOM 210 O TRP A 29 8.194 5.521 2.066 1.00 0.00 O ATOM 211 CB TRP A 29 4.969 6.413 0.940 1.00 0.00 C ATOM 212 CG TRP A 29 5.776 7.419 0.202 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.768 8.747 0.448 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.693 7.210 -0.903 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.633 9.368 -0.432 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.228 8.461 -1.287 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.112 6.064 -1.602 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.146 8.572 -2.331 1.00 0.00 C ATOM 219 CZ3 TRP A 29 8.033 6.170 -2.653 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.548 7.421 -3.016 1.00 0.00 C ATOM 0 H TRP A 29 3.953 4.613 2.103 1.00 0.00 H new ATOM 0 HA TRP A 29 6.327 4.707 0.676 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.206 5.996 0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.448 6.892 1.769 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.182 9.242 1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.810 10.372 -0.448 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.721 5.095 -1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.543 9.538 -2.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.347 5.284 -3.185 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.257 7.497 -3.827 1.00 0.00 H new ATOM 231 N GLU A 30 6.761 6.705 3.240 1.00 0.00 N ATOM 232 CA GLU A 30 7.857 7.279 4.065 1.00 0.00 C ATOM 233 C GLU A 30 8.776 6.166 4.570 1.00 0.00 C ATOM 234 O GLU A 30 9.987 6.285 4.542 1.00 0.00 O ATOM 235 CB GLU A 30 7.161 7.972 5.237 1.00 0.00 C ATOM 236 CG GLU A 30 7.353 9.486 5.123 1.00 0.00 C ATOM 237 CD GLU A 30 8.124 9.997 6.341 1.00 0.00 C ATOM 238 OE1 GLU A 30 8.745 9.186 7.009 1.00 0.00 O ATOM 239 OE2 GLU A 30 8.079 11.191 6.587 1.00 0.00 O ATOM 0 H GLU A 30 5.822 7.024 3.480 1.00 0.00 H new ATOM 0 HA GLU A 30 8.477 7.972 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.099 7.729 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.571 7.613 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.896 9.726 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.385 9.982 5.058 1.00 0.00 H new ATOM 246 N LYS A 31 8.218 5.074 5.025 1.00 0.00 N ATOM 247 CA LYS A 31 9.082 3.969 5.515 1.00 0.00 C ATOM 248 C LYS A 31 9.998 3.517 4.384 1.00 0.00 C ATOM 249 O LYS A 31 11.181 3.336 4.572 1.00 0.00 O ATOM 250 CB LYS A 31 8.133 2.849 5.929 1.00 0.00 C ATOM 251 CG LYS A 31 8.857 1.928 6.908 1.00 0.00 C ATOM 252 CD LYS A 31 7.837 1.177 7.756 1.00 0.00 C ATOM 253 CE LYS A 31 7.901 -0.311 7.417 1.00 0.00 C ATOM 254 NZ LYS A 31 6.532 -0.823 7.697 1.00 0.00 N ATOM 0 H LYS A 31 7.214 4.904 5.077 1.00 0.00 H new ATOM 0 HA LYS A 31 9.712 4.269 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.238 3.264 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.807 2.288 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.482 1.221 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.519 2.511 7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.043 1.330 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.835 1.563 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.176 -0.468 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.647 -0.824 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.576 -1.844 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.141 -0.332 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.922 -0.651 6.873 1.00 0.00 H new ATOM 268 N ALA A 32 9.465 3.359 3.203 1.00 0.00 N ATOM 269 CA ALA A 32 10.310 2.954 2.058 1.00 0.00 C ATOM 270 C ALA A 32 11.492 3.908 1.985 1.00 0.00 C ATOM 271 O ALA A 32 12.630 3.501 1.854 1.00 0.00 O ATOM 272 CB ALA A 32 9.418 3.099 0.827 1.00 0.00 C ATOM 0 H ALA A 32 8.477 3.495 2.987 1.00 0.00 H new ATOM 0 HA ALA A 32 10.696 1.938 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.978 2.815 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.548 2.451 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.090 4.135 0.735 1.00 0.00 H new ATOM 278 N GLN A 33 11.231 5.182 2.098 1.00 0.00 N ATOM 279 CA GLN A 33 12.349 6.164 2.069 1.00 0.00 C ATOM 280 C GLN A 33 13.316 5.831 3.204 1.00 0.00 C ATOM 281 O GLN A 33 14.518 5.957 3.074 1.00 0.00 O ATOM 282 CB GLN A 33 11.693 7.525 2.295 1.00 0.00 C ATOM 283 CG GLN A 33 10.724 7.808 1.151 1.00 0.00 C ATOM 284 CD GLN A 33 9.700 8.853 1.589 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.041 9.833 2.222 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.449 8.680 1.273 1.00 0.00 N ATOM 0 H GLN A 33 10.299 5.582 2.208 1.00 0.00 H new ATOM 0 HA GLN A 33 12.911 6.151 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.163 7.534 3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.453 8.305 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.271 8.165 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.217 6.889 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.166 7.856 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.751 9.368 1.557 1.00 0.00 H new ATOM 295 N ARG A 34 12.787 5.394 4.315 1.00 0.00 N ATOM 296 CA ARG A 34 13.653 5.029 5.475 1.00 0.00 C ATOM 297 C ARG A 34 14.440 3.751 5.163 1.00 0.00 C ATOM 298 O ARG A 34 15.507 3.525 5.696 1.00 0.00 O ATOM 299 CB ARG A 34 12.678 4.785 6.630 1.00 0.00 C ATOM 300 CG ARG A 34 13.083 5.636 7.835 1.00 0.00 C ATOM 301 CD ARG A 34 12.264 5.213 9.059 1.00 0.00 C ATOM 302 NE ARG A 34 11.738 6.484 9.630 1.00 0.00 N ATOM 303 CZ ARG A 34 10.450 6.675 9.723 1.00 0.00 C ATOM 304 NH1 ARG A 34 9.785 6.163 10.723 1.00 0.00 N ATOM 305 NH2 ARG A 34 9.827 7.378 8.817 1.00 0.00 N ATOM 0 H ARG A 34 11.786 5.273 4.470 1.00 0.00 H new ATOM 0 HA ARG A 34 14.382 5.805 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.663 5.035 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.678 3.729 6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.147 5.516 8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.917 6.692 7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.453 4.541 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.882 4.681 9.783 1.00 0.00 H new ATOM 0 HE ARG A 34 12.385 7.206 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.272 5.614 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.779 6.312 10.796 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.346 7.778 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.821 7.527 8.890 1.00 0.00 H new ATOM 319 N LEU A 35 13.926 2.917 4.296 1.00 0.00 N ATOM 320 CA LEU A 35 14.651 1.662 3.946 1.00 0.00 C ATOM 321 C LEU A 35 15.809 1.983 2.999 1.00 0.00 C ATOM 322 O LEU A 35 16.561 1.117 2.604 1.00 0.00 O ATOM 323 CB LEU A 35 13.612 0.781 3.249 1.00 0.00 C ATOM 324 CG LEU A 35 12.823 -0.004 4.298 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.631 0.829 4.772 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.316 -1.309 3.682 1.00 0.00 C ATOM 0 H LEU A 35 13.036 3.052 3.816 1.00 0.00 H new ATOM 0 HA LEU A 35 15.076 1.167 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.936 1.397 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.105 0.095 2.560 1.00 0.00 H new ATOM 0 HG LEU A 35 13.471 -0.227 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.070 0.268 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.989 1.760 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.983 1.053 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.753 -1.869 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.669 -1.084 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.164 -1.905 3.344 1.00 0.00 H new ATOM 338 N HIS A 36 15.952 3.234 2.645 1.00 0.00 N ATOM 339 CA HIS A 36 17.057 3.656 1.734 1.00 0.00 C ATOM 340 C HIS A 36 16.854 3.117 0.314 1.00 0.00 C ATOM 341 O HIS A 36 17.804 2.936 -0.422 1.00 0.00 O ATOM 342 CB HIS A 36 18.336 3.087 2.349 1.00 0.00 C ATOM 343 CG HIS A 36 18.374 3.411 3.817 1.00 0.00 C ATOM 344 ND1 HIS A 36 19.035 4.525 4.309 1.00 0.00 N ATOM 345 CD2 HIS A 36 17.839 2.778 4.912 1.00 0.00 C ATOM 346 CE1 HIS A 36 18.881 4.530 5.645 1.00 0.00 C ATOM 347 NE2 HIS A 36 18.160 3.487 6.065 1.00 0.00 N ATOM 0 H HIS A 36 15.342 3.991 2.953 1.00 0.00 H new ATOM 0 HA HIS A 36 17.096 4.741 1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.373 2.007 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.210 3.507 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.258 1.868 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.291 5.286 6.299 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.901 3.259 7.025 1.00 0.00 H new ATOM 355 N LEU A 37 15.638 2.878 -0.097 1.00 0.00 N ATOM 356 CA LEU A 37 15.429 2.379 -1.487 1.00 0.00 C ATOM 357 C LEU A 37 15.987 3.411 -2.474 1.00 0.00 C ATOM 358 O LEU A 37 16.092 4.577 -2.150 1.00 0.00 O ATOM 359 CB LEU A 37 13.910 2.270 -1.672 1.00 0.00 C ATOM 360 CG LEU A 37 13.330 1.136 -0.823 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.806 1.161 -0.947 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.842 -0.212 -1.329 1.00 0.00 C ATOM 0 H LEU A 37 14.792 3.004 0.459 1.00 0.00 H new ATOM 0 HA LEU A 37 15.925 1.423 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.439 3.213 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.680 2.095 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 37 13.634 1.270 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.379 0.358 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.428 2.120 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.524 1.023 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.424 -1.012 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.538 -0.350 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.930 -0.236 -1.263 1.00 0.00 H new ATOM 374 N PRO A 38 16.299 2.962 -3.657 1.00 0.00 N ATOM 375 CA PRO A 38 16.810 3.883 -4.693 1.00 0.00 C ATOM 376 C PRO A 38 15.641 4.715 -5.221 1.00 0.00 C ATOM 377 O PRO A 38 14.512 4.498 -4.828 1.00 0.00 O ATOM 378 CB PRO A 38 17.368 2.951 -5.764 1.00 0.00 C ATOM 379 CG PRO A 38 16.635 1.661 -5.582 1.00 0.00 C ATOM 380 CD PRO A 38 16.210 1.583 -4.135 1.00 0.00 C ATOM 0 HA PRO A 38 17.567 4.584 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.207 3.358 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.443 2.813 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.767 1.617 -6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.274 0.817 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.197 1.193 -4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.862 0.921 -3.564 1.00 0.00 H new ATOM 388 N PRO A 39 15.934 5.644 -6.085 1.00 0.00 N ATOM 389 CA PRO A 39 14.866 6.509 -6.641 1.00 0.00 C ATOM 390 C PRO A 39 13.928 5.700 -7.543 1.00 0.00 C ATOM 391 O PRO A 39 12.733 5.926 -7.573 1.00 0.00 O ATOM 392 CB PRO A 39 15.635 7.566 -7.426 1.00 0.00 C ATOM 393 CG PRO A 39 16.942 6.922 -7.758 1.00 0.00 C ATOM 394 CD PRO A 39 17.256 5.977 -6.628 1.00 0.00 C ATOM 0 HA PRO A 39 14.224 6.947 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 39 15.097 7.857 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.779 8.470 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.880 6.386 -8.705 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.727 7.671 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.781 5.089 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.892 6.446 -5.877 1.00 0.00 H new ATOM 402 N VAL A 40 14.452 4.752 -8.269 1.00 0.00 N ATOM 403 CA VAL A 40 13.576 3.933 -9.152 1.00 0.00 C ATOM 404 C VAL A 40 12.595 3.123 -8.306 1.00 0.00 C ATOM 405 O VAL A 40 11.426 3.026 -8.614 1.00 0.00 O ATOM 406 CB VAL A 40 14.519 3.000 -9.913 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.999 1.877 -8.989 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.772 2.396 -11.102 1.00 0.00 C ATOM 0 H VAL A 40 15.443 4.510 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 40 12.988 4.550 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 40 15.382 3.565 -10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.670 1.216 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.528 2.307 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.141 1.307 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.438 1.729 -11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.911 1.833 -10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.434 3.194 -11.763 1.00 0.00 H new ATOM 418 N ARG A 41 13.067 2.538 -7.243 1.00 0.00 N ATOM 419 CA ARG A 41 12.176 1.732 -6.376 1.00 0.00 C ATOM 420 C ARG A 41 11.190 2.631 -5.647 1.00 0.00 C ATOM 421 O ARG A 41 10.057 2.267 -5.425 1.00 0.00 O ATOM 422 CB ARG A 41 13.120 1.077 -5.389 1.00 0.00 C ATOM 423 CG ARG A 41 13.202 -0.410 -5.687 1.00 0.00 C ATOM 424 CD ARG A 41 13.005 -1.170 -4.389 1.00 0.00 C ATOM 425 NE ARG A 41 14.364 -1.266 -3.794 1.00 0.00 N ATOM 426 CZ ARG A 41 14.918 -2.434 -3.617 1.00 0.00 C ATOM 427 NH1 ARG A 41 14.620 -3.144 -2.565 1.00 0.00 N ATOM 428 NH2 ARG A 41 15.772 -2.890 -4.490 1.00 0.00 N ATOM 0 H ARG A 41 14.039 2.586 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 41 11.584 1.009 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.109 1.529 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.768 1.237 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.439 -0.694 -6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.168 -0.656 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.318 -0.646 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.582 -2.158 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 41 14.863 -0.419 -3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.954 -2.786 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.053 -4.057 -2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.007 -2.334 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.205 -3.803 -4.351 1.00 0.00 H new ATOM 442 N LEU A 42 11.607 3.804 -5.273 1.00 0.00 N ATOM 443 CA LEU A 42 10.674 4.716 -4.566 1.00 0.00 C ATOM 444 C LEU A 42 9.669 5.267 -5.574 1.00 0.00 C ATOM 445 O LEU A 42 8.569 5.647 -5.231 1.00 0.00 O ATOM 446 CB LEU A 42 11.550 5.830 -4.006 1.00 0.00 C ATOM 447 CG LEU A 42 12.462 5.263 -2.919 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.688 6.168 -2.779 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.698 5.224 -1.590 1.00 0.00 C ATOM 0 H LEU A 42 12.547 4.169 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 42 10.112 4.224 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.148 6.273 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.928 6.625 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 42 12.778 4.254 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.346 5.772 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.224 6.204 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.369 7.173 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.344 4.820 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.389 6.233 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.817 4.591 -1.695 1.00 0.00 H new ATOM 461 N ALA A 43 10.040 5.298 -6.825 1.00 0.00 N ATOM 462 CA ALA A 43 9.101 5.802 -7.866 1.00 0.00 C ATOM 463 C ALA A 43 8.035 4.736 -8.142 1.00 0.00 C ATOM 464 O ALA A 43 6.847 4.976 -8.012 1.00 0.00 O ATOM 465 CB ALA A 43 9.966 6.036 -9.104 1.00 0.00 C ATOM 0 H ALA A 43 10.951 4.997 -7.170 1.00 0.00 H new ATOM 0 HA ALA A 43 8.583 6.713 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.344 6.409 -9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.740 6.768 -8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.432 5.098 -9.405 1.00 0.00 H new ATOM 471 N GLU A 44 8.455 3.550 -8.502 1.00 0.00 N ATOM 472 CA GLU A 44 7.476 2.461 -8.765 1.00 0.00 C ATOM 473 C GLU A 44 6.681 2.188 -7.492 1.00 0.00 C ATOM 474 O GLU A 44 5.489 1.950 -7.523 1.00 0.00 O ATOM 475 CB GLU A 44 8.323 1.244 -9.141 1.00 0.00 C ATOM 476 CG GLU A 44 9.060 1.522 -10.451 1.00 0.00 C ATOM 477 CD GLU A 44 9.212 0.217 -11.235 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.344 -0.633 -11.106 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.191 0.089 -11.951 1.00 0.00 O ATOM 0 H GLU A 44 9.434 3.292 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 44 6.765 2.711 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.038 1.026 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.688 0.365 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.509 2.253 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.040 1.952 -10.245 1.00 0.00 H new ATOM 486 N LEU A 45 7.340 2.244 -6.368 1.00 0.00 N ATOM 487 CA LEU A 45 6.635 2.016 -5.082 1.00 0.00 C ATOM 488 C LEU A 45 5.569 3.090 -4.925 1.00 0.00 C ATOM 489 O LEU A 45 4.422 2.806 -4.663 1.00 0.00 O ATOM 490 CB LEU A 45 7.720 2.154 -4.007 1.00 0.00 C ATOM 491 CG LEU A 45 7.093 2.543 -2.662 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.254 1.381 -2.122 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.207 2.868 -1.669 1.00 0.00 C ATOM 0 H LEU A 45 8.338 2.438 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 45 6.143 1.046 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.261 1.214 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.446 2.909 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 45 6.451 3.413 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.812 1.664 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.462 1.143 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.890 0.507 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.770 3.146 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.844 1.993 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.803 3.697 -2.050 1.00 0.00 H new ATOM 505 N HIS A 46 5.941 4.325 -5.107 1.00 0.00 N ATOM 506 CA HIS A 46 4.943 5.416 -4.990 1.00 0.00 C ATOM 507 C HIS A 46 3.744 5.089 -5.875 1.00 0.00 C ATOM 508 O HIS A 46 2.609 5.254 -5.484 1.00 0.00 O ATOM 509 CB HIS A 46 5.651 6.674 -5.490 1.00 0.00 C ATOM 510 CG HIS A 46 4.914 7.880 -4.984 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.858 8.448 -5.678 1.00 0.00 N ATOM 512 CD2 HIS A 46 5.058 8.625 -3.843 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.408 9.486 -4.951 1.00 0.00 C ATOM 514 NE2 HIS A 46 4.105 9.640 -3.823 1.00 0.00 N ATOM 0 H HIS A 46 6.890 4.623 -5.331 1.00 0.00 H new ATOM 0 HA HIS A 46 4.581 5.547 -3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.684 6.689 -5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.683 6.681 -6.580 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.489 8.136 -6.576 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.798 8.451 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.583 10.118 -5.244 1.00 0.00 H new ATOM 522 N ALA A 47 3.994 4.615 -7.067 1.00 0.00 N ATOM 523 CA ALA A 47 2.867 4.264 -7.978 1.00 0.00 C ATOM 524 C ALA A 47 1.977 3.198 -7.326 1.00 0.00 C ATOM 525 O ALA A 47 0.764 3.314 -7.301 1.00 0.00 O ATOM 526 CB ALA A 47 3.532 3.712 -9.241 1.00 0.00 C ATOM 0 H ALA A 47 4.927 4.456 -7.448 1.00 0.00 H new ATOM 0 HA ALA A 47 2.230 5.120 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.765 3.430 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.177 4.476 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.129 2.836 -8.985 1.00 0.00 H new ATOM 532 N ASP A 48 2.570 2.160 -6.799 1.00 0.00 N ATOM 533 CA ASP A 48 1.762 1.087 -6.151 1.00 0.00 C ATOM 534 C ASP A 48 1.005 1.643 -4.940 1.00 0.00 C ATOM 535 O ASP A 48 -0.069 1.181 -4.606 1.00 0.00 O ATOM 536 CB ASP A 48 2.780 0.032 -5.718 1.00 0.00 C ATOM 537 CG ASP A 48 3.557 -0.455 -6.943 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.134 -0.149 -8.047 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.560 -1.123 -6.758 1.00 0.00 O ATOM 0 H ASP A 48 3.579 2.009 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 48 1.010 0.674 -6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.465 0.452 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.272 -0.805 -5.239 1.00 0.00 H new ATOM 544 N LEU A 49 1.544 2.638 -4.288 1.00 0.00 N ATOM 545 CA LEU A 49 0.841 3.221 -3.118 1.00 0.00 C ATOM 546 C LEU A 49 -0.311 4.076 -3.615 1.00 0.00 C ATOM 547 O LEU A 49 -1.348 4.163 -2.992 1.00 0.00 O ATOM 548 CB LEU A 49 1.883 4.080 -2.416 1.00 0.00 C ATOM 549 CG LEU A 49 3.034 3.193 -1.960 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.087 4.050 -1.262 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.501 2.132 -0.994 1.00 0.00 C ATOM 0 H LEU A 49 2.439 3.069 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 49 0.431 2.467 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.249 4.854 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.438 4.588 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 49 3.486 2.701 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.912 3.418 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.460 4.804 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.641 4.541 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.322 1.495 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.051 2.620 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.750 1.525 -1.499 1.00 0.00 H new ATOM 563 N LYS A 50 -0.141 4.694 -4.749 1.00 0.00 N ATOM 564 CA LYS A 50 -1.237 5.521 -5.295 1.00 0.00 C ATOM 565 C LYS A 50 -2.389 4.596 -5.660 1.00 0.00 C ATOM 566 O LYS A 50 -3.533 4.861 -5.359 1.00 0.00 O ATOM 567 CB LYS A 50 -0.668 6.196 -6.540 1.00 0.00 C ATOM 568 CG LYS A 50 0.346 7.270 -6.134 1.00 0.00 C ATOM 569 CD LYS A 50 -0.277 8.219 -5.105 1.00 0.00 C ATOM 570 CE LYS A 50 -1.563 8.821 -5.675 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.105 9.736 -6.756 1.00 0.00 N ATOM 0 H LYS A 50 0.707 4.659 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.605 6.266 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.189 5.455 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.473 6.645 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.237 6.801 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.664 7.831 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.493 7.680 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.427 9.012 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.224 8.047 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.121 9.360 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.793 10.507 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.178 10.135 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.023 9.207 -7.647 1.00 0.00 H new ATOM 585 N ILE A 51 -2.086 3.492 -6.285 1.00 0.00 N ATOM 586 CA ILE A 51 -3.159 2.529 -6.639 1.00 0.00 C ATOM 587 C ILE A 51 -3.783 1.991 -5.351 1.00 0.00 C ATOM 588 O ILE A 51 -4.984 1.830 -5.249 1.00 0.00 O ATOM 589 CB ILE A 51 -2.455 1.414 -7.408 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.928 1.964 -8.735 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.443 0.280 -7.680 1.00 0.00 C ATOM 592 CD1 ILE A 51 -3.022 2.783 -9.425 1.00 0.00 C ATOM 0 H ILE A 51 -1.144 3.218 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.957 2.975 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.622 1.034 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.051 2.586 -8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.613 1.144 -9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.941 -0.516 -8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.817 -0.112 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.277 0.658 -8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.643 3.173 -10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.887 2.147 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.316 3.612 -8.782 1.00 0.00 H new ATOM 604 N GLN A 52 -2.974 1.728 -4.358 1.00 0.00 N ATOM 605 CA GLN A 52 -3.521 1.219 -3.069 1.00 0.00 C ATOM 606 C GLN A 52 -4.278 2.339 -2.371 1.00 0.00 C ATOM 607 O GLN A 52 -5.137 2.107 -1.542 1.00 0.00 O ATOM 608 CB GLN A 52 -2.297 0.792 -2.239 1.00 0.00 C ATOM 609 CG GLN A 52 -2.728 0.509 -0.792 1.00 0.00 C ATOM 610 CD GLN A 52 -3.379 -0.875 -0.707 1.00 0.00 C ATOM 611 OE1 GLN A 52 -2.803 -1.801 -0.173 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.567 -1.050 -1.220 1.00 0.00 N ATOM 0 H GLN A 52 -1.961 1.844 -4.385 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.212 0.387 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.843 -0.098 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.541 1.577 -2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.864 0.556 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.429 1.272 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.049 -0.271 -1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.013 -1.966 -1.173 1.00 0.00 H new ATOM 621 N GLU A 53 -3.976 3.555 -2.712 1.00 0.00 N ATOM 622 CA GLU A 53 -4.683 4.691 -2.081 1.00 0.00 C ATOM 623 C GLU A 53 -6.080 4.804 -2.683 1.00 0.00 C ATOM 624 O GLU A 53 -7.070 4.632 -2.007 1.00 0.00 O ATOM 625 CB GLU A 53 -3.832 5.915 -2.417 1.00 0.00 C ATOM 626 CG GLU A 53 -4.085 7.011 -1.383 1.00 0.00 C ATOM 627 CD GLU A 53 -4.020 8.377 -2.067 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.965 8.716 -2.761 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.026 9.061 -1.884 1.00 0.00 O ATOM 0 H GLU A 53 -3.269 3.810 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.806 4.580 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.776 5.646 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.077 6.278 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.061 6.870 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.342 6.954 -0.587 1.00 0.00 H new ATOM 636 N ARG A 54 -6.165 5.064 -3.956 1.00 0.00 N ATOM 637 CA ARG A 54 -7.501 5.165 -4.604 1.00 0.00 C ATOM 638 C ARG A 54 -8.281 3.876 -4.357 1.00 0.00 C ATOM 639 O ARG A 54 -9.488 3.880 -4.216 1.00 0.00 O ATOM 640 CB ARG A 54 -7.207 5.338 -6.095 1.00 0.00 C ATOM 641 CG ARG A 54 -8.484 5.096 -6.902 1.00 0.00 C ATOM 642 CD ARG A 54 -8.177 5.219 -8.398 1.00 0.00 C ATOM 643 NE ARG A 54 -7.581 3.909 -8.780 1.00 0.00 N ATOM 644 CZ ARG A 54 -6.867 3.812 -9.868 1.00 0.00 C ATOM 645 NH1 ARG A 54 -5.787 4.532 -10.006 1.00 0.00 N ATOM 646 NH2 ARG A 54 -7.230 2.994 -10.819 1.00 0.00 N ATOM 0 H ARG A 54 -5.368 5.211 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.098 5.989 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.828 6.342 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.430 4.639 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.883 4.106 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.249 5.818 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.082 5.423 -8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.485 6.039 -8.593 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.731 3.089 -8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.501 5.170 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.229 4.456 -10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.073 2.430 -10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.671 2.920 -11.669 1.00 0.00 H new ATOM 660 N ASP A 55 -7.590 2.771 -4.300 1.00 0.00 N ATOM 661 CA ASP A 55 -8.275 1.475 -4.059 1.00 0.00 C ATOM 662 C ASP A 55 -8.668 1.348 -2.585 1.00 0.00 C ATOM 663 O ASP A 55 -9.642 0.701 -2.249 1.00 0.00 O ATOM 664 CB ASP A 55 -7.238 0.418 -4.438 1.00 0.00 C ATOM 665 CG ASP A 55 -7.027 0.436 -5.952 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.357 1.439 -6.565 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.539 -0.552 -6.475 1.00 0.00 O ATOM 0 H ASP A 55 -6.578 2.712 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.195 1.373 -4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.296 0.616 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.574 -0.568 -4.118 1.00 0.00 H new ATOM 672 N GLU A 56 -7.920 1.952 -1.699 1.00 0.00 N ATOM 673 CA GLU A 56 -8.261 1.848 -0.251 1.00 0.00 C ATOM 674 C GLU A 56 -9.400 2.800 0.117 1.00 0.00 C ATOM 675 O GLU A 56 -10.182 2.517 0.999 1.00 0.00 O ATOM 676 CB GLU A 56 -6.982 2.224 0.500 1.00 0.00 C ATOM 677 CG GLU A 56 -6.126 0.976 0.726 1.00 0.00 C ATOM 678 CD GLU A 56 -6.876 -0.012 1.623 1.00 0.00 C ATOM 679 OE1 GLU A 56 -8.034 0.240 1.914 1.00 0.00 O ATOM 680 OE2 GLU A 56 -6.278 -1.005 2.004 1.00 0.00 O ATOM 0 H GLU A 56 -7.093 2.509 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.603 0.845 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.419 2.964 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.233 2.682 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.891 0.507 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.178 1.253 1.187 1.00 0.00 H new ATOM 687 N LEU A 57 -9.525 3.915 -0.552 1.00 0.00 N ATOM 688 CA LEU A 57 -10.647 4.837 -0.222 1.00 0.00 C ATOM 689 C LEU A 57 -11.872 4.359 -0.980 1.00 0.00 C ATOM 690 O LEU A 57 -12.948 4.219 -0.434 1.00 0.00 O ATOM 691 CB LEU A 57 -10.234 6.227 -0.712 1.00 0.00 C ATOM 692 CG LEU A 57 -8.772 6.500 -0.365 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.046 6.940 -1.631 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.695 7.615 0.680 1.00 0.00 C ATOM 0 H LEU A 57 -8.907 4.223 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.868 4.864 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.378 6.297 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.871 6.985 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.309 5.599 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.000 7.139 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.108 6.150 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.510 7.846 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.652 7.810 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.148 8.522 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.230 7.309 1.579 1.00 0.00 H new ATOM 706 N ALA A 58 -11.701 4.077 -2.242 1.00 0.00 N ATOM 707 CA ALA A 58 -12.842 3.573 -3.040 1.00 0.00 C ATOM 708 C ALA A 58 -13.368 2.304 -2.375 1.00 0.00 C ATOM 709 O ALA A 58 -14.561 2.132 -2.171 1.00 0.00 O ATOM 710 CB ALA A 58 -12.263 3.266 -4.422 1.00 0.00 C ATOM 0 H ALA A 58 -10.822 4.175 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.667 4.282 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.052 2.887 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.846 4.176 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.478 2.516 -4.329 1.00 0.00 H new ATOM 716 N TRP A 59 -12.483 1.420 -1.999 1.00 0.00 N ATOM 717 CA TRP A 59 -12.947 0.192 -1.322 1.00 0.00 C ATOM 718 C TRP A 59 -13.532 0.573 0.035 1.00 0.00 C ATOM 719 O TRP A 59 -14.609 0.156 0.399 1.00 0.00 O ATOM 720 CB TRP A 59 -11.712 -0.685 -1.137 1.00 0.00 C ATOM 721 CG TRP A 59 -12.059 -1.733 -0.139 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.745 -2.861 -0.413 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.791 -1.742 1.290 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.920 -3.572 0.757 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.339 -2.928 1.838 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.125 -0.848 2.158 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.233 -3.217 3.198 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.021 -1.140 3.526 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.573 -2.321 4.045 1.00 0.00 C ATOM 0 H TRP A 59 -11.475 1.499 -2.132 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.713 -0.332 -1.893 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.417 -1.138 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.867 -0.090 -0.791 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.100 -3.159 -1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.416 -4.461 0.818 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.695 0.062 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.658 -4.127 3.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.513 -0.451 4.184 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.488 -2.538 5.100 1.00 0.00 H new ATOM 740 N LYS A 60 -12.827 1.369 0.787 1.00 0.00 N ATOM 741 CA LYS A 60 -13.356 1.776 2.113 1.00 0.00 C ATOM 742 C LYS A 60 -14.808 2.200 1.938 1.00 0.00 C ATOM 743 O LYS A 60 -15.643 1.970 2.791 1.00 0.00 O ATOM 744 CB LYS A 60 -12.476 2.938 2.561 1.00 0.00 C ATOM 745 CG LYS A 60 -11.403 2.403 3.512 1.00 0.00 C ATOM 746 CD LYS A 60 -10.166 3.295 3.443 1.00 0.00 C ATOM 747 CE LYS A 60 -10.130 4.190 4.679 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.073 3.606 5.552 1.00 0.00 N ATOM 0 H LYS A 60 -11.914 1.752 0.542 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.335 0.979 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.012 3.415 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.078 3.698 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.787 2.376 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.141 1.380 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.264 2.685 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.190 3.903 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.896 5.221 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.096 4.203 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.159 3.998 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.185 2.573 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.136 3.839 5.166 1.00 0.00 H new ATOM 762 N LYS A 61 -15.129 2.768 0.806 1.00 0.00 N ATOM 763 CA LYS A 61 -16.542 3.140 0.557 1.00 0.00 C ATOM 764 C LYS A 61 -17.307 1.835 0.376 1.00 0.00 C ATOM 765 O LYS A 61 -18.348 1.616 0.963 1.00 0.00 O ATOM 766 CB LYS A 61 -16.530 3.964 -0.730 1.00 0.00 C ATOM 767 CG LYS A 61 -17.061 5.369 -0.436 1.00 0.00 C ATOM 768 CD LYS A 61 -15.895 6.293 -0.079 1.00 0.00 C ATOM 769 CE LYS A 61 -16.309 7.218 1.070 1.00 0.00 C ATOM 770 NZ LYS A 61 -16.172 8.596 0.522 1.00 0.00 N ATOM 0 H LYS A 61 -14.477 2.987 0.053 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.006 3.715 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.517 4.022 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.145 3.482 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.593 5.757 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.776 5.334 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.025 5.703 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.605 6.883 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.333 7.019 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.671 7.075 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.438 9.288 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.186 8.759 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.796 8.705 -0.303 1.00 0.00 H new ATOM 784 N LEU A 62 -16.758 0.945 -0.409 1.00 0.00 N ATOM 785 CA LEU A 62 -17.407 -0.382 -0.605 1.00 0.00 C ATOM 786 C LEU A 62 -17.695 -1.015 0.763 1.00 0.00 C ATOM 787 O LEU A 62 -18.822 -1.098 1.201 1.00 0.00 O ATOM 788 CB LEU A 62 -16.363 -1.219 -1.344 1.00 0.00 C ATOM 789 CG LEU A 62 -16.803 -1.450 -2.782 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.935 -0.606 -3.717 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.647 -2.937 -3.123 1.00 0.00 C ATOM 0 H LEU A 62 -15.887 1.081 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.348 -0.312 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.399 -0.710 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.228 -2.175 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.847 -1.160 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.247 -0.769 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.048 0.449 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.890 -0.896 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.961 -3.109 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.603 -3.229 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.266 -3.531 -2.451 1.00 0.00 H new ATOM 803 N LYS A 63 -16.663 -1.458 1.431 1.00 0.00 N ATOM 804 CA LYS A 63 -16.818 -2.091 2.774 1.00 0.00 C ATOM 805 C LYS A 63 -17.817 -1.316 3.642 1.00 0.00 C ATOM 806 O LYS A 63 -18.772 -1.872 4.148 1.00 0.00 O ATOM 807 CB LYS A 63 -15.414 -2.017 3.381 1.00 0.00 C ATOM 808 CG LYS A 63 -15.326 -2.901 4.626 1.00 0.00 C ATOM 809 CD LYS A 63 -16.066 -2.232 5.787 1.00 0.00 C ATOM 810 CE LYS A 63 -15.544 -2.791 7.113 1.00 0.00 C ATOM 811 NZ LYS A 63 -15.788 -1.712 8.109 1.00 0.00 N ATOM 0 H LYS A 63 -15.701 -1.407 1.096 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.202 -3.109 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.676 -2.338 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.177 -0.985 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.761 -3.879 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.282 -3.066 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.920 -1.152 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.138 -2.411 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.066 -3.707 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.484 -3.036 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.456 -2.022 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.273 -0.854 7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.806 -1.505 8.154 1.00 0.00 H new ATOM 825 N LEU A 64 -17.600 -0.043 3.833 1.00 0.00 N ATOM 826 CA LEU A 64 -18.534 0.755 4.685 1.00 0.00 C ATOM 827 C LEU A 64 -19.985 0.559 4.229 1.00 0.00 C ATOM 828 O LEU A 64 -20.893 0.489 5.032 1.00 0.00 O ATOM 829 CB LEU A 64 -18.099 2.209 4.497 1.00 0.00 C ATOM 830 CG LEU A 64 -16.875 2.488 5.372 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.125 3.710 4.837 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.328 2.758 6.808 1.00 0.00 C ATOM 0 H LEU A 64 -16.819 0.480 3.438 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.495 0.450 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.862 2.397 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.913 2.882 4.766 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.213 1.622 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.254 3.905 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.801 3.519 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.785 4.577 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.457 2.957 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.991 3.623 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.859 1.887 7.192 1.00 0.00 H new ATOM 844 N ASP A 65 -20.209 0.474 2.946 1.00 0.00 N ATOM 845 CA ASP A 65 -21.601 0.285 2.441 1.00 0.00 C ATOM 846 C ASP A 65 -22.043 -1.171 2.619 1.00 0.00 C ATOM 847 O ASP A 65 -23.218 -1.466 2.712 1.00 0.00 O ATOM 848 CB ASP A 65 -21.531 0.647 0.957 1.00 0.00 C ATOM 849 CG ASP A 65 -21.522 2.168 0.804 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.397 2.806 1.365 1.00 0.00 O ATOM 851 OD2 ASP A 65 -20.639 2.671 0.129 1.00 0.00 O ATOM 0 H ASP A 65 -19.489 0.527 2.225 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.322 0.899 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.633 0.220 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.384 0.222 0.427 1.00 0.00 H new ATOM 856 N GLY A 66 -21.110 -2.082 2.669 1.00 0.00 N ATOM 857 CA GLY A 66 -21.475 -3.517 2.843 1.00 0.00 C ATOM 858 C GLY A 66 -21.175 -4.289 1.555 1.00 0.00 C ATOM 859 O GLY A 66 -21.901 -5.188 1.179 1.00 0.00 O ATOM 0 H GLY A 66 -20.110 -1.895 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.915 -3.946 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.532 -3.605 3.093 1.00 0.00 H new ATOM 863 N LEU A 67 -20.112 -3.951 0.874 1.00 0.00 N ATOM 864 CA LEU A 67 -19.780 -4.677 -0.388 1.00 0.00 C ATOM 865 C LEU A 67 -18.834 -5.838 -0.098 1.00 0.00 C ATOM 866 O LEU A 67 -19.026 -6.941 -0.571 1.00 0.00 O ATOM 867 CB LEU A 67 -19.086 -3.650 -1.289 1.00 0.00 C ATOM 868 CG LEU A 67 -19.990 -2.424 -1.555 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.932 -2.078 -3.044 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.452 -2.708 -1.180 1.00 0.00 C ATOM 0 H LEU A 67 -19.463 -3.209 1.134 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.672 -5.092 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.157 -3.323 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.818 -4.118 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.628 -1.598 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.567 -1.214 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.905 -1.845 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.283 -2.928 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.057 -1.824 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.824 -3.544 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.514 -2.958 -0.121 1.00 0.00 H new ATOM 882 N ASP A 68 -17.807 -5.601 0.667 1.00 0.00 N ATOM 883 CA ASP A 68 -16.852 -6.696 0.976 1.00 0.00 C ATOM 884 C ASP A 68 -17.352 -7.504 2.177 1.00 0.00 C ATOM 885 O ASP A 68 -16.649 -7.686 3.150 1.00 0.00 O ATOM 886 CB ASP A 68 -15.535 -5.997 1.312 1.00 0.00 C ATOM 887 CG ASP A 68 -14.445 -7.043 1.548 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.380 -7.988 0.777 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.689 -6.882 2.493 1.00 0.00 O ATOM 0 H ASP A 68 -17.589 -4.699 1.090 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.740 -7.392 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.246 -5.333 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.657 -5.377 2.200 1.00 0.00 H new ATOM 894 N GLU A 69 -18.564 -7.987 2.118 1.00 0.00 N ATOM 895 CA GLU A 69 -19.107 -8.778 3.260 1.00 0.00 C ATOM 896 C GLU A 69 -18.374 -10.117 3.373 1.00 0.00 C ATOM 897 O GLU A 69 -18.594 -10.880 4.293 1.00 0.00 O ATOM 898 CB GLU A 69 -20.582 -9.002 2.921 1.00 0.00 C ATOM 899 CG GLU A 69 -21.274 -7.653 2.715 1.00 0.00 C ATOM 900 CD GLU A 69 -22.612 -7.871 2.006 1.00 0.00 C ATOM 901 OE1 GLU A 69 -23.595 -8.097 2.693 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.631 -7.810 0.787 1.00 0.00 O ATOM 0 H GLU A 69 -19.201 -7.868 1.330 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.980 -8.266 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.670 -9.608 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.070 -9.553 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -21.434 -7.164 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.640 -6.993 2.123 1.00 0.00 H new ATOM 909 N ASP A 70 -17.504 -10.409 2.446 1.00 0.00 N ATOM 910 CA ASP A 70 -16.758 -11.699 2.505 1.00 0.00 C ATOM 911 C ASP A 70 -15.252 -11.433 2.567 1.00 0.00 C ATOM 912 O ASP A 70 -14.483 -12.258 3.022 1.00 0.00 O ATOM 913 CB ASP A 70 -17.123 -12.427 1.211 1.00 0.00 C ATOM 914 CG ASP A 70 -18.272 -13.400 1.478 1.00 0.00 C ATOM 915 OD1 ASP A 70 -19.410 -12.963 1.444 1.00 0.00 O ATOM 916 OD2 ASP A 70 -17.995 -14.564 1.713 1.00 0.00 O ATOM 0 H ASP A 70 -17.277 -9.812 1.651 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.014 -12.286 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.413 -11.707 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.257 -12.967 0.829 1.00 0.00 H new ATOM 921 N GLY A 71 -14.824 -10.287 2.112 1.00 0.00 N ATOM 922 CA GLY A 71 -13.369 -9.968 2.146 1.00 0.00 C ATOM 923 C GLY A 71 -12.778 -10.118 0.742 1.00 0.00 C ATOM 924 O GLY A 71 -11.582 -10.247 0.572 1.00 0.00 O ATOM 0 H GLY A 71 -15.419 -9.558 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.218 -8.951 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.856 -10.634 2.840 1.00 0.00 H new ATOM 928 N GLU A 72 -13.608 -10.103 -0.264 1.00 0.00 N ATOM 929 CA GLU A 72 -13.092 -10.245 -1.656 1.00 0.00 C ATOM 930 C GLU A 72 -12.524 -8.912 -2.148 1.00 0.00 C ATOM 931 O GLU A 72 -11.376 -8.822 -2.537 1.00 0.00 O ATOM 932 CB GLU A 72 -14.308 -10.649 -2.490 1.00 0.00 C ATOM 933 CG GLU A 72 -14.360 -12.173 -2.611 1.00 0.00 C ATOM 934 CD GLU A 72 -15.110 -12.560 -3.887 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.227 -11.715 -4.761 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.555 -13.692 -3.969 1.00 0.00 O ATOM 0 H GLU A 72 -14.619 -9.999 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.288 -10.978 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.221 -10.279 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.250 -10.197 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.350 -12.581 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.858 -12.600 -1.741 1.00 0.00 H new ATOM 943 N LYS A 73 -13.318 -7.877 -2.134 1.00 0.00 N ATOM 944 CA LYS A 73 -12.819 -6.552 -2.601 1.00 0.00 C ATOM 945 C LYS A 73 -11.592 -6.138 -1.784 1.00 0.00 C ATOM 946 O LYS A 73 -10.556 -5.808 -2.327 1.00 0.00 O ATOM 947 CB LYS A 73 -13.980 -5.584 -2.364 1.00 0.00 C ATOM 948 CG LYS A 73 -15.234 -6.090 -3.085 1.00 0.00 C ATOM 949 CD LYS A 73 -14.875 -6.529 -4.507 1.00 0.00 C ATOM 950 CE LYS A 73 -14.269 -5.351 -5.273 1.00 0.00 C ATOM 951 NZ LYS A 73 -13.236 -5.960 -6.156 1.00 0.00 N ATOM 0 H LYS A 73 -14.288 -7.891 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.514 -6.567 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.176 -5.492 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.717 -4.590 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.668 -6.925 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.988 -5.304 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.167 -7.357 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.765 -6.891 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.027 -4.826 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.828 -4.622 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.211 -5.451 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.305 -5.896 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.470 -6.959 -6.326 1.00 0.00 H new ATOM 965 N GLU A 74 -11.697 -6.158 -0.482 1.00 0.00 N ATOM 966 CA GLU A 74 -10.531 -5.770 0.360 1.00 0.00 C ATOM 967 C GLU A 74 -9.334 -6.665 0.033 1.00 0.00 C ATOM 968 O GLU A 74 -8.199 -6.331 0.311 1.00 0.00 O ATOM 969 CB GLU A 74 -10.987 -5.988 1.803 1.00 0.00 C ATOM 970 CG GLU A 74 -9.778 -5.909 2.738 1.00 0.00 C ATOM 971 CD GLU A 74 -9.210 -4.488 2.725 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.888 -3.605 2.226 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.107 -4.307 3.213 1.00 0.00 O ATOM 0 H GLU A 74 -12.536 -6.425 0.032 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.220 -4.740 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.724 -5.235 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.472 -6.959 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.071 -6.185 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.014 -6.620 2.422 1.00 0.00 H new ATOM 980 N ALA A 75 -9.580 -7.801 -0.562 1.00 0.00 N ATOM 981 CA ALA A 75 -8.455 -8.714 -0.912 1.00 0.00 C ATOM 982 C ALA A 75 -7.543 -8.048 -1.941 1.00 0.00 C ATOM 983 O ALA A 75 -6.337 -8.182 -1.897 1.00 0.00 O ATOM 984 CB ALA A 75 -9.120 -9.953 -1.512 1.00 0.00 C ATOM 0 H ALA A 75 -10.508 -8.135 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.839 -8.962 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.355 -10.675 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.786 -10.401 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.694 -9.667 -2.393 1.00 0.00 H new ATOM 990 N ARG A 76 -8.111 -7.325 -2.867 1.00 0.00 N ATOM 991 CA ARG A 76 -7.273 -6.650 -3.894 1.00 0.00 C ATOM 992 C ARG A 76 -6.261 -5.729 -3.211 1.00 0.00 C ATOM 993 O ARG A 76 -5.130 -5.608 -3.638 1.00 0.00 O ATOM 994 CB ARG A 76 -8.250 -5.842 -4.744 1.00 0.00 C ATOM 995 CG ARG A 76 -7.484 -5.154 -5.873 1.00 0.00 C ATOM 996 CD ARG A 76 -8.061 -3.757 -6.107 1.00 0.00 C ATOM 997 NE ARG A 76 -8.970 -3.910 -7.277 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.695 -2.901 -7.680 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.571 -1.733 -7.107 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.546 -3.061 -8.657 1.00 0.00 N ATOM 0 H ARG A 76 -9.116 -7.174 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.707 -7.358 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.019 -6.496 -5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.759 -5.100 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.426 -5.084 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.554 -5.745 -6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.602 -3.401 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.272 -3.033 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.026 -4.804 -7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.907 -1.608 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.138 -0.947 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.644 -3.973 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.113 -2.274 -8.973 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.659 -5.086 -2.149 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.716 -4.179 -1.434 1.00 0.00 C ATOM 1016 C LEU A 77 -4.655 -5.005 -0.719 1.00 0.00 C ATOM 1017 O LEU A 77 -3.489 -4.691 -0.749 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.573 -3.429 -0.410 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.709 -2.707 -1.123 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.759 -2.265 -0.103 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.166 -1.481 -1.848 1.00 0.00 C ATOM 0 H LEU A 77 -7.594 -5.148 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.205 -3.497 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.976 -4.128 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.960 -2.712 0.137 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.164 -3.385 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.570 -1.749 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.155 -3.139 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.301 -1.591 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.982 -0.968 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.706 -0.806 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.421 -1.792 -2.580 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.052 -6.060 -0.073 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.058 -6.909 0.637 1.00 0.00 C ATOM 1035 C ILE A 78 -3.041 -7.449 -0.367 1.00 0.00 C ATOM 1036 O ILE A 78 -1.893 -7.689 -0.045 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.874 -8.054 1.234 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.714 -7.524 2.399 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -3.932 -9.148 1.740 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.771 -8.562 2.783 1.00 0.00 C ATOM 0 H ILE A 78 -6.020 -6.373 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.506 -6.362 1.401 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.530 -8.469 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.073 -7.309 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.195 -6.587 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.517 -9.964 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.333 -9.525 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.274 -8.736 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.368 -8.183 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.419 -8.755 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.280 -9.488 3.082 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.466 -7.651 -1.584 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.543 -8.190 -2.623 1.00 0.00 C ATOM 1054 C ARG A 79 -1.617 -7.101 -3.167 1.00 0.00 C ATOM 1055 O ARG A 79 -0.426 -7.298 -3.253 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.459 -8.718 -3.729 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.026 -10.131 -4.131 1.00 0.00 C ATOM 1058 CD ARG A 79 -4.061 -10.725 -5.089 1.00 0.00 C ATOM 1059 NE ARG A 79 -3.510 -12.053 -5.477 1.00 0.00 N ATOM 1060 CZ ARG A 79 -3.899 -13.130 -4.851 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -3.380 -13.438 -3.692 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -4.810 -13.900 -5.382 1.00 0.00 N ATOM 0 H ARG A 79 -4.416 -7.465 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.892 -8.964 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.493 -8.729 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.419 -8.056 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.047 -10.101 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.930 -10.760 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.033 -10.827 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.204 -10.087 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.828 -12.121 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.670 -12.836 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.685 -14.280 -3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.217 -13.660 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.114 -14.742 -4.893 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.127 -5.955 -3.539 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.208 -4.903 -4.063 1.00 0.00 C ATOM 1078 C ASN A 80 -0.259 -4.488 -2.947 1.00 0.00 C ATOM 1079 O ASN A 80 0.919 -4.299 -3.161 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.105 -3.752 -4.557 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.160 -2.568 -3.598 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -1.198 -2.219 -2.944 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.274 -1.908 -3.521 1.00 0.00 N ATOM 0 H ASN A 80 -3.116 -5.706 -3.504 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.585 -5.244 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.741 -3.408 -5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.115 -4.131 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.343 -1.094 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.081 -2.203 -4.071 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.757 -4.381 -1.749 1.00 0.00 N ATOM 1091 CA LEU A 81 0.127 -4.024 -0.616 1.00 0.00 C ATOM 1092 C LEU A 81 1.177 -5.119 -0.480 1.00 0.00 C ATOM 1093 O LEU A 81 2.341 -4.884 -0.654 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.776 -3.977 0.617 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.363 -2.797 1.501 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.055 -3.025 2.030 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.395 -1.510 0.673 1.00 0.00 C ATOM 0 H LEU A 81 -1.738 -4.526 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 81 0.638 -3.071 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.818 -3.873 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.697 -4.910 1.175 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.053 -2.711 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.348 -2.185 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.081 -3.944 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.747 -3.109 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.102 -0.667 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.297 -1.599 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.404 -1.346 0.294 1.00 0.00 H new ATOM 1109 N ASN A 82 0.762 -6.325 -0.205 1.00 0.00 N ATOM 1110 CA ASN A 82 1.735 -7.449 -0.091 1.00 0.00 C ATOM 1111 C ASN A 82 2.765 -7.373 -1.226 1.00 0.00 C ATOM 1112 O ASN A 82 3.941 -7.615 -1.035 1.00 0.00 O ATOM 1113 CB ASN A 82 0.872 -8.704 -0.229 1.00 0.00 C ATOM 1114 CG ASN A 82 0.561 -9.267 1.158 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.196 -8.904 2.129 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.397 -10.142 1.295 1.00 0.00 N ATOM 0 H ASN A 82 -0.213 -6.582 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 82 2.297 -7.431 0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.054 -8.465 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.392 -9.452 -0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.613 -10.521 2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.930 -10.447 0.480 1.00 0.00 H new ATOM 1123 N VAL A 83 2.324 -7.028 -2.403 1.00 0.00 N ATOM 1124 CA VAL A 83 3.254 -6.923 -3.565 1.00 0.00 C ATOM 1125 C VAL A 83 4.273 -5.814 -3.308 1.00 0.00 C ATOM 1126 O VAL A 83 5.458 -5.977 -3.520 1.00 0.00 O ATOM 1127 CB VAL A 83 2.348 -6.569 -4.742 1.00 0.00 C ATOM 1128 CG1 VAL A 83 3.190 -6.072 -5.915 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.561 -7.811 -5.170 1.00 0.00 C ATOM 0 H VAL A 83 1.350 -6.812 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 83 3.820 -7.837 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 83 1.657 -5.783 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.537 -5.821 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.749 -5.186 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.886 -6.853 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.914 -7.560 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.255 -8.596 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.953 -8.162 -4.336 1.00 0.00 H new ATOM 1139 N ILE A 84 3.812 -4.697 -2.831 1.00 0.00 N ATOM 1140 CA ILE A 84 4.730 -3.569 -2.526 1.00 0.00 C ATOM 1141 C ILE A 84 5.668 -4.003 -1.390 1.00 0.00 C ATOM 1142 O ILE A 84 6.859 -3.787 -1.434 1.00 0.00 O ATOM 1143 CB ILE A 84 3.785 -2.430 -2.107 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.052 -1.898 -3.353 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.580 -1.294 -1.459 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.587 -1.573 -3.016 1.00 0.00 C ATOM 0 H ILE A 84 2.827 -4.514 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 84 5.368 -3.260 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 84 3.063 -2.811 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.553 -1.004 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.092 -2.640 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.900 -0.494 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.098 -1.670 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.309 -0.908 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.083 -1.198 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.085 -2.476 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.553 -0.814 -2.234 1.00 0.00 H new ATOM 1158 N LEU A 85 5.137 -4.662 -0.397 1.00 0.00 N ATOM 1159 CA LEU A 85 5.981 -5.164 0.721 1.00 0.00 C ATOM 1160 C LEU A 85 6.892 -6.256 0.182 1.00 0.00 C ATOM 1161 O LEU A 85 7.906 -6.588 0.759 1.00 0.00 O ATOM 1162 CB LEU A 85 4.993 -5.767 1.714 1.00 0.00 C ATOM 1163 CG LEU A 85 4.357 -4.671 2.558 1.00 0.00 C ATOM 1164 CD1 LEU A 85 5.367 -4.167 3.590 1.00 0.00 C ATOM 1165 CD2 LEU A 85 3.912 -3.511 1.662 1.00 0.00 C ATOM 0 H LEU A 85 4.143 -4.876 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 85 6.597 -4.388 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.220 -6.318 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.505 -6.481 2.359 1.00 0.00 H new ATOM 0 HG LEU A 85 3.486 -5.077 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.910 -3.383 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.670 -4.991 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.242 -3.767 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.458 -2.732 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.777 -3.103 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.184 -3.871 0.935 1.00 0.00 H new ATOM 1177 N ALA A 86 6.517 -6.820 -0.928 1.00 0.00 N ATOM 1178 CA ALA A 86 7.346 -7.890 -1.540 1.00 0.00 C ATOM 1179 C ALA A 86 8.428 -7.246 -2.406 1.00 0.00 C ATOM 1180 O ALA A 86 9.481 -7.808 -2.631 1.00 0.00 O ATOM 1181 CB ALA A 86 6.378 -8.698 -2.403 1.00 0.00 C ATOM 0 H ALA A 86 5.667 -6.585 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 86 7.842 -8.519 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.917 -9.511 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.589 -9.111 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.937 -8.049 -3.160 1.00 0.00 H new ATOM 1187 N LYS A 87 8.171 -6.060 -2.891 1.00 0.00 N ATOM 1188 CA LYS A 87 9.174 -5.360 -3.739 1.00 0.00 C ATOM 1189 C LYS A 87 10.057 -4.458 -2.878 1.00 0.00 C ATOM 1190 O LYS A 87 11.094 -3.991 -3.307 1.00 0.00 O ATOM 1191 CB LYS A 87 8.347 -4.499 -4.688 1.00 0.00 C ATOM 1192 CG LYS A 87 9.257 -3.945 -5.780 1.00 0.00 C ATOM 1193 CD LYS A 87 8.433 -3.128 -6.775 1.00 0.00 C ATOM 1194 CE LYS A 87 8.542 -3.756 -8.165 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.203 -3.555 -8.791 1.00 0.00 N ATOM 0 H LYS A 87 7.304 -5.545 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 87 9.826 -6.060 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.546 -5.090 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.876 -3.682 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.033 -3.321 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.761 -4.762 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.390 -3.096 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.790 -2.099 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.327 -3.279 -8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.791 -4.815 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.203 -3.961 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.476 -4.026 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.995 -2.538 -8.847 1.00 0.00 H new ATOM 1209 N TYR A 88 9.635 -4.184 -1.679 1.00 0.00 N ATOM 1210 CA TYR A 88 10.428 -3.280 -0.800 1.00 0.00 C ATOM 1211 C TYR A 88 10.586 -3.879 0.594 1.00 0.00 C ATOM 1212 O TYR A 88 11.262 -3.326 1.439 1.00 0.00 O ATOM 1213 CB TYR A 88 9.593 -1.998 -0.719 1.00 0.00 C ATOM 1214 CG TYR A 88 9.056 -1.657 -2.086 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.940 -1.461 -3.146 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.677 -1.555 -2.293 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.452 -1.155 -4.418 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.180 -1.253 -3.565 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.067 -1.050 -4.630 1.00 0.00 C ATOM 1220 OH TYR A 88 7.579 -0.745 -5.883 1.00 0.00 O ATOM 0 H TYR A 88 8.775 -4.546 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 88 11.432 -3.112 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.770 -2.132 -0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.204 -1.178 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.004 -1.546 -2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.995 -1.710 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.138 -0.999 -5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.115 -1.176 -3.726 1.00 0.00 H new ATOM 0 HH TYR A 88 6.620 -0.942 -5.917 1.00 0.00 H new ATOM 1230 N GLY A 89 9.957 -4.992 0.849 1.00 0.00 N ATOM 1231 CA GLY A 89 10.060 -5.603 2.204 1.00 0.00 C ATOM 1232 C GLY A 89 9.903 -4.490 3.242 1.00 0.00 C ATOM 1233 O GLY A 89 10.655 -4.400 4.193 1.00 0.00 O ATOM 0 H GLY A 89 9.379 -5.503 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.288 -6.361 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.021 -6.102 2.324 1.00 0.00 H new ATOM 1237 N LEU A 90 8.937 -3.631 3.049 1.00 0.00 N ATOM 1238 CA LEU A 90 8.733 -2.505 4.003 1.00 0.00 C ATOM 1239 C LEU A 90 8.441 -3.046 5.404 1.00 0.00 C ATOM 1240 O LEU A 90 8.848 -2.476 6.398 1.00 0.00 O ATOM 1241 CB LEU A 90 7.529 -1.736 3.454 1.00 0.00 C ATOM 1242 CG LEU A 90 8.000 -0.691 2.434 1.00 0.00 C ATOM 1243 CD1 LEU A 90 6.948 -0.545 1.330 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.187 0.654 3.138 1.00 0.00 C ATOM 0 H LEU A 90 8.280 -3.662 2.270 1.00 0.00 H new ATOM 0 HA LEU A 90 9.614 -1.869 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.829 -2.426 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.996 -1.247 4.269 1.00 0.00 H new ATOM 0 HG LEU A 90 8.946 -1.010 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.282 0.197 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.810 -1.504 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.003 -0.225 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.522 1.399 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.240 0.971 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.933 0.552 3.926 1.00 0.00 H new ATOM 1256 N ASP A 91 7.742 -4.142 5.491 1.00 0.00 N ATOM 1257 CA ASP A 91 7.427 -4.719 6.829 1.00 0.00 C ATOM 1258 C ASP A 91 7.643 -6.235 6.816 1.00 0.00 C ATOM 1259 O ASP A 91 6.705 -7.005 6.863 1.00 0.00 O ATOM 1260 CB ASP A 91 5.955 -4.385 7.068 1.00 0.00 C ATOM 1261 CG ASP A 91 5.670 -4.389 8.571 1.00 0.00 C ATOM 1262 OD1 ASP A 91 6.444 -4.988 9.299 1.00 0.00 O ATOM 1263 OD2 ASP A 91 4.683 -3.792 8.969 1.00 0.00 O ATOM 0 H ASP A 91 7.375 -4.664 4.695 1.00 0.00 H new ATOM 0 HA ASP A 91 8.067 -4.316 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.719 -3.409 6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.319 -5.113 6.564 1.00 0.00 H new ATOM 1268 N GLY A 92 8.873 -6.669 6.749 1.00 0.00 N ATOM 1269 CA GLY A 92 9.146 -8.134 6.732 1.00 0.00 C ATOM 1270 C GLY A 92 10.193 -8.446 5.663 1.00 0.00 C ATOM 1271 O GLY A 92 10.015 -9.328 4.845 1.00 0.00 O ATOM 0 H GLY A 92 9.699 -6.073 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.501 -8.460 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.227 -8.683 6.527 1.00 0.00 H new ATOM 1275 N LYS A 93 11.283 -7.729 5.658 1.00 0.00 N ATOM 1276 CA LYS A 93 12.337 -7.985 4.636 1.00 0.00 C ATOM 1277 C LYS A 93 12.839 -9.429 4.741 1.00 0.00 C ATOM 1278 O LYS A 93 13.396 -9.831 5.741 1.00 0.00 O ATOM 1279 CB LYS A 93 13.460 -7.002 4.968 1.00 0.00 C ATOM 1280 CG LYS A 93 13.969 -7.267 6.386 1.00 0.00 C ATOM 1281 CD LYS A 93 13.885 -5.980 7.207 1.00 0.00 C ATOM 1282 CE LYS A 93 14.941 -6.010 8.313 1.00 0.00 C ATOM 1283 NZ LYS A 93 16.116 -5.297 7.740 1.00 0.00 N ATOM 0 H LYS A 93 11.489 -6.978 6.317 1.00 0.00 H new ATOM 0 HA LYS A 93 11.966 -7.852 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.275 -7.109 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.097 -5.978 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.375 -8.050 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.998 -7.624 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.042 -5.115 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.891 -5.878 7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.581 -5.517 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.196 -7.033 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.885 -5.276 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.440 -5.793 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.845 -4.324 7.494 1.00 0.00 H new ATOM 1297 N LYS A 94 12.647 -10.209 3.712 1.00 0.00 N ATOM 1298 CA LYS A 94 13.115 -11.624 3.747 1.00 0.00 C ATOM 1299 C LYS A 94 12.793 -12.319 2.422 1.00 0.00 C ATOM 1300 O LYS A 94 13.643 -12.471 1.566 1.00 0.00 O ATOM 1301 CB LYS A 94 12.344 -12.276 4.895 1.00 0.00 C ATOM 1302 CG LYS A 94 12.699 -13.763 4.964 1.00 0.00 C ATOM 1303 CD LYS A 94 11.964 -14.413 6.138 1.00 0.00 C ATOM 1304 CE LYS A 94 10.694 -15.097 5.627 1.00 0.00 C ATOM 1305 NZ LYS A 94 11.129 -16.457 5.206 1.00 0.00 N ATOM 0 H LYS A 94 12.185 -9.927 2.847 1.00 0.00 H new ATOM 0 HA LYS A 94 14.193 -11.696 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.591 -11.787 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.272 -12.153 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.424 -14.256 4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.776 -13.885 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.611 -15.141 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.710 -13.660 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.934 -15.150 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.258 -14.547 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.311 -16.987 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.848 -16.376 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.533 -16.960 6.022 1.00 0.00 H new ATOM 1319 N ASP A 95 11.571 -12.744 2.245 1.00 0.00 N ATOM 1320 CA ASP A 95 11.198 -13.429 0.975 1.00 0.00 C ATOM 1321 C ASP A 95 12.114 -14.631 0.735 1.00 0.00 C ATOM 1322 O ASP A 95 13.039 -14.877 1.485 1.00 0.00 O ATOM 1323 CB ASP A 95 11.397 -12.376 -0.116 1.00 0.00 C ATOM 1324 CG ASP A 95 10.756 -12.862 -1.417 1.00 0.00 C ATOM 1325 OD1 ASP A 95 9.545 -12.761 -1.533 1.00 0.00 O ATOM 1326 OD2 ASP A 95 11.486 -13.327 -2.277 1.00 0.00 O ATOM 0 H ASP A 95 10.816 -12.646 2.924 1.00 0.00 H new ATOM 0 HA ASP A 95 10.176 -13.808 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.950 -11.430 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.460 -12.192 -0.269 1.00 0.00 H new ATOM 1331 N ALA A 96 11.868 -15.380 -0.304 1.00 0.00 N ATOM 1332 CA ALA A 96 12.729 -16.563 -0.588 1.00 0.00 C ATOM 1333 C ALA A 96 14.033 -16.118 -1.255 1.00 0.00 C ATOM 1334 O ALA A 96 15.110 -16.312 -0.724 1.00 0.00 O ATOM 1335 CB ALA A 96 11.908 -17.432 -1.543 1.00 0.00 C ATOM 0 H ALA A 96 11.109 -15.225 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 96 13.003 -17.102 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.476 -18.326 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.975 -17.721 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.688 -16.868 -2.450 1.00 0.00 H new ATOM 1341 N ARG A 97 13.946 -15.521 -2.412 1.00 0.00 N ATOM 1342 CA ARG A 97 15.179 -15.061 -3.113 1.00 0.00 C ATOM 1343 C ARG A 97 14.922 -13.723 -3.814 1.00 0.00 C ATOM 1344 O ARG A 97 13.867 -13.582 -4.409 1.00 0.00 O ATOM 1345 CB ARG A 97 15.483 -16.151 -4.141 1.00 0.00 C ATOM 1346 CG ARG A 97 16.930 -16.621 -3.974 1.00 0.00 C ATOM 1347 CD ARG A 97 17.198 -17.798 -4.914 1.00 0.00 C ATOM 1348 NE ARG A 97 18.280 -18.578 -4.251 1.00 0.00 N ATOM 1349 CZ ARG A 97 19.090 -19.309 -4.967 1.00 0.00 C ATOM 1350 NH1 ARG A 97 20.104 -18.755 -5.570 1.00 0.00 N ATOM 1351 NH2 ARG A 97 18.887 -20.593 -5.076 1.00 0.00 N ATOM 1352 OXT ARG A 97 15.784 -12.863 -3.741 1.00 0.00 O ATOM 0 H ARG A 97 13.073 -15.331 -2.903 1.00 0.00 H new ATOM 0 HA ARG A 97 16.010 -14.906 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 97 14.800 -16.990 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.328 -15.768 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 97 17.616 -15.803 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.109 -16.919 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.303 -18.404 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.507 -17.453 -5.901 1.00 0.00 H new ATOM 0 HE ARG A 97 18.388 -18.541 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.264 -17.751 -5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.738 -19.325 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.095 -21.026 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.520 -21.164 -5.636 1.00 0.00 H new TER 1366 ARG A 97