USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 41 SER OG : rot 129:sc= 1.81 USER MOD Set 1.2: A 57 CYS SG : rot 109:sc= -0.863 USER MOD Set 2.1: A 32 SER OG : rot 0:sc= 1.04 USER MOD Set 2.2: A 72 HIS : no HE2:sc= -0.985 K(o=0.053,f=-1.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.4 F(o=-1.7,f=-0.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.108 USER MOD Single : A 19 GLN : amide:sc= -5.89! C(o=-5.9!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0155 (180deg=-0.265) USER MOD Single : A 25 TYR OH : rot 4:sc= 2.15 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 131:sc= 1.01 USER MOD Single : A 37 GLN :FLIP amide:sc= -12.5! C(o=-16!,f=-13!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= 0.00119 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.38) USER MOD Single : A 59 SER OG : rot -130:sc= -0.163 USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.369 (180deg=-1.6!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00737) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -15.745 10.220 13.855 1.00 0.00 N ATOM 2 CA GLU A 3 -14.727 9.520 14.689 1.00 0.00 C ATOM 3 C GLU A 3 -13.451 9.324 13.866 1.00 0.00 C ATOM 4 O GLU A 3 -12.375 9.730 14.260 1.00 0.00 O ATOM 5 CB GLU A 3 -15.271 8.155 15.119 1.00 0.00 C ATOM 6 CG GLU A 3 -16.518 8.346 15.987 1.00 0.00 C ATOM 7 CD GLU A 3 -16.128 9.018 17.304 1.00 0.00 C ATOM 8 OE1 GLU A 3 -15.437 8.386 18.087 1.00 0.00 O ATOM 9 OE2 GLU A 3 -16.527 10.153 17.509 1.00 0.00 O ATOM 0 HA GLU A 3 -14.505 10.116 15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.516 7.557 14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.510 7.608 15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.251 8.956 15.459 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.988 7.382 16.184 1.00 0.00 H new ATOM 16 N LYS A 4 -13.570 8.706 12.719 1.00 0.00 N ATOM 17 CA LYS A 4 -12.375 8.473 11.848 1.00 0.00 C ATOM 18 C LYS A 4 -12.809 8.478 10.383 1.00 0.00 C ATOM 19 O LYS A 4 -13.967 8.284 10.067 1.00 0.00 O ATOM 20 CB LYS A 4 -11.760 7.099 12.146 1.00 0.00 C ATOM 21 CG LYS A 4 -11.067 7.087 13.515 1.00 0.00 C ATOM 22 CD LYS A 4 -9.847 8.047 13.521 1.00 0.00 C ATOM 23 CE LYS A 4 -8.674 7.402 14.275 1.00 0.00 C ATOM 24 NZ LYS A 4 -7.519 8.342 14.318 1.00 0.00 N ATOM 0 H LYS A 4 -14.449 8.350 12.345 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.647 9.260 12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.538 6.336 12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.040 6.843 11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.774 7.385 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.741 6.075 13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.550 8.277 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.119 8.991 13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.981 7.143 15.288 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.381 6.474 13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.729 7.899 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.219 8.569 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.801 9.216 14.806 1.00 0.00 H new ATOM 38 N ARG A 5 -11.882 8.667 9.484 1.00 0.00 N ATOM 39 CA ARG A 5 -12.233 8.650 8.038 1.00 0.00 C ATOM 40 C ARG A 5 -12.289 7.198 7.582 1.00 0.00 C ATOM 41 O ARG A 5 -11.487 6.384 7.999 1.00 0.00 O ATOM 42 CB ARG A 5 -11.161 9.380 7.228 1.00 0.00 C ATOM 43 CG ARG A 5 -11.239 10.882 7.499 1.00 0.00 C ATOM 44 CD ARG A 5 -10.366 11.625 6.483 1.00 0.00 C ATOM 45 NE ARG A 5 -9.007 10.987 6.392 1.00 0.00 N ATOM 46 CZ ARG A 5 -8.254 10.803 7.450 1.00 0.00 C ATOM 47 NH1 ARG A 5 -8.565 11.345 8.596 1.00 0.00 N ATOM 48 NH2 ARG A 5 -7.143 10.127 7.341 1.00 0.00 N ATOM 0 H ARG A 5 -10.897 8.832 9.690 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.192 9.145 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.173 9.004 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.301 9.186 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.272 11.223 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.902 11.098 8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.846 11.614 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.265 12.670 6.776 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.661 10.689 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.403 11.920 8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.970 11.193 9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.865 9.745 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.553 9.980 8.160 1.00 0.00 H new ATOM 62 N ARG A 6 -13.238 6.856 6.750 1.00 0.00 N ATOM 63 CA ARG A 6 -13.355 5.439 6.290 1.00 0.00 C ATOM 64 C ARG A 6 -13.676 5.379 4.797 1.00 0.00 C ATOM 65 O ARG A 6 -13.987 6.370 4.167 1.00 0.00 O ATOM 66 CB ARG A 6 -14.478 4.764 7.065 1.00 0.00 C ATOM 67 CG ARG A 6 -14.150 4.804 8.558 1.00 0.00 C ATOM 68 CD ARG A 6 -15.260 4.121 9.367 1.00 0.00 C ATOM 69 NE ARG A 6 -15.355 4.778 10.696 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.417 4.611 11.428 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.397 3.870 10.992 1.00 0.00 N ATOM 72 NH2 ARG A 6 -16.500 5.191 12.593 1.00 0.00 N ATOM 0 H ARG A 6 -13.936 7.495 6.369 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.406 4.931 6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.424 5.271 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.596 3.732 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.198 4.306 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.037 5.838 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.211 4.195 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.043 3.059 9.485 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.588 5.359 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.330 3.422 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.231 3.738 11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.733 5.774 12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.332 5.062 13.169 1.00 0.00 H new ATOM 86 N ASP A 7 -13.596 4.203 4.234 1.00 0.00 N ATOM 87 CA ASP A 7 -13.884 4.023 2.783 1.00 0.00 C ATOM 88 C ASP A 7 -15.350 3.626 2.575 1.00 0.00 C ATOM 89 O ASP A 7 -16.166 3.710 3.471 1.00 0.00 O ATOM 90 CB ASP A 7 -12.977 2.921 2.236 1.00 0.00 C ATOM 91 CG ASP A 7 -13.221 1.630 3.018 1.00 0.00 C ATOM 92 OD1 ASP A 7 -13.854 1.701 4.057 1.00 0.00 O ATOM 93 OD2 ASP A 7 -12.768 0.590 2.565 1.00 0.00 O ATOM 0 H ASP A 7 -13.339 3.347 4.726 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.699 4.961 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.178 2.761 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.932 3.219 2.321 1.00 0.00 H new ATOM 98 N ASN A 8 -15.685 3.206 1.385 1.00 0.00 N ATOM 99 CA ASN A 8 -17.091 2.813 1.075 1.00 0.00 C ATOM 100 C ASN A 8 -17.485 1.562 1.867 1.00 0.00 C ATOM 101 O ASN A 8 -18.649 1.224 1.964 1.00 0.00 O ATOM 102 CB ASN A 8 -17.197 2.515 -0.421 1.00 0.00 C ATOM 103 CG ASN A 8 -16.828 3.772 -1.210 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.717 3.795 -1.895 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -17.555 4.747 -1.196 1.00 0.00 N flip ATOM 0 H ASN A 8 -15.036 3.117 0.604 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.761 3.627 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.532 1.694 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.210 2.199 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -18.423 4.728 -0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -17.297 5.583 -1.720 1.00 0.00 H new ATOM 112 N ARG A 9 -16.529 0.861 2.426 1.00 0.00 N ATOM 113 CA ARG A 9 -16.849 -0.377 3.200 1.00 0.00 C ATOM 114 C ARG A 9 -16.849 -0.080 4.706 1.00 0.00 C ATOM 115 O ARG A 9 -17.321 -0.873 5.495 1.00 0.00 O ATOM 116 CB ARG A 9 -15.789 -1.441 2.894 1.00 0.00 C ATOM 117 CG ARG A 9 -16.027 -2.045 1.505 1.00 0.00 C ATOM 118 CD ARG A 9 -15.122 -3.266 1.330 1.00 0.00 C ATOM 119 NE ARG A 9 -15.452 -4.278 2.376 1.00 0.00 N ATOM 120 CZ ARG A 9 -14.979 -5.490 2.283 1.00 0.00 C ATOM 121 NH1 ARG A 9 -14.225 -5.815 1.269 1.00 0.00 N ATOM 122 NH2 ARG A 9 -15.257 -6.376 3.200 1.00 0.00 N ATOM 0 H ARG A 9 -15.537 1.095 2.379 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.838 -0.735 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.795 -0.997 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.823 -2.226 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.073 -2.333 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.816 -1.306 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.258 -3.695 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.075 -2.972 1.409 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.047 -4.022 3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.007 -5.122 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.853 -6.762 1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.846 -6.122 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.885 -7.323 3.124 1.00 0.00 H new ATOM 136 N GLY A 10 -16.330 1.049 5.116 1.00 0.00 N ATOM 137 CA GLY A 10 -16.311 1.382 6.578 1.00 0.00 C ATOM 138 C GLY A 10 -14.946 1.021 7.168 1.00 0.00 C ATOM 139 O GLY A 10 -14.779 0.948 8.369 1.00 0.00 O ATOM 0 H GLY A 10 -15.919 1.755 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.512 2.444 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.099 0.835 7.096 1.00 0.00 H new ATOM 143 N ARG A 11 -13.968 0.796 6.334 1.00 0.00 N ATOM 144 CA ARG A 11 -12.615 0.439 6.848 1.00 0.00 C ATOM 145 C ARG A 11 -11.855 1.716 7.200 1.00 0.00 C ATOM 146 O ARG A 11 -11.855 2.670 6.450 1.00 0.00 O ATOM 147 CB ARG A 11 -11.835 -0.318 5.769 1.00 0.00 C ATOM 148 CG ARG A 11 -12.470 -1.696 5.518 1.00 0.00 C ATOM 149 CD ARG A 11 -12.016 -2.248 4.148 1.00 0.00 C ATOM 150 NE ARG A 11 -11.845 -3.727 4.239 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.773 -4.452 3.154 1.00 0.00 C ATOM 152 NH1 ARG A 11 -11.892 -3.893 1.981 1.00 0.00 N ATOM 153 NH2 ARG A 11 -11.585 -5.739 3.245 1.00 0.00 N ATOM 0 H ARG A 11 -14.047 0.844 5.318 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.722 -0.189 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.826 0.260 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.797 -0.439 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.183 -2.387 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.557 -1.615 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.753 -2.003 3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.078 -1.781 3.848 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.784 -4.175 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.042 -2.887 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.835 -4.462 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.495 -6.178 4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.528 -6.307 2.400 1.00 0.00 H new ATOM 167 N ILE A 12 -11.201 1.743 8.331 1.00 0.00 N ATOM 168 CA ILE A 12 -10.433 2.962 8.721 1.00 0.00 C ATOM 169 C ILE A 12 -9.050 2.915 8.069 1.00 0.00 C ATOM 170 O ILE A 12 -8.221 2.090 8.397 1.00 0.00 O ATOM 171 CB ILE A 12 -10.296 3.016 10.244 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.681 3.215 10.873 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.389 4.185 10.633 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.615 2.914 12.371 1.00 0.00 C ATOM 0 H ILE A 12 -11.165 0.975 9.001 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.959 3.854 8.383 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.862 2.083 10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.020 4.238 10.713 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.407 2.559 10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.291 4.224 11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.405 4.047 10.184 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.824 5.118 10.274 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.600 3.056 12.814 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.295 1.883 12.521 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.902 3.588 12.846 1.00 0.00 H new ATOM 186 N LEU A 13 -8.809 3.793 7.131 1.00 0.00 N ATOM 187 CA LEU A 13 -7.495 3.820 6.418 1.00 0.00 C ATOM 188 C LEU A 13 -6.553 4.837 7.083 1.00 0.00 C ATOM 189 O LEU A 13 -6.992 5.753 7.749 1.00 0.00 O ATOM 190 CB LEU A 13 -7.738 4.233 4.962 1.00 0.00 C ATOM 191 CG LEU A 13 -8.711 3.240 4.273 1.00 0.00 C ATOM 192 CD1 LEU A 13 -10.165 3.740 4.388 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.344 3.100 2.787 1.00 0.00 C ATOM 0 H LEU A 13 -9.475 4.502 6.824 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.036 2.832 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.152 5.241 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.792 4.259 4.422 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.626 2.273 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.833 3.031 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.437 3.829 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.254 4.714 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.030 2.402 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.417 4.073 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.324 2.726 2.698 1.00 0.00 H new ATOM 205 N LYS A 14 -5.258 4.686 6.908 1.00 0.00 N ATOM 206 CA LYS A 14 -4.292 5.655 7.528 1.00 0.00 C ATOM 207 C LYS A 14 -3.975 6.787 6.537 1.00 0.00 C ATOM 208 O LYS A 14 -4.467 6.811 5.427 1.00 0.00 O ATOM 209 CB LYS A 14 -2.997 4.932 7.904 1.00 0.00 C ATOM 210 CG LYS A 14 -3.334 3.608 8.601 1.00 0.00 C ATOM 211 CD LYS A 14 -2.042 2.870 8.994 1.00 0.00 C ATOM 212 CE LYS A 14 -1.508 3.395 10.331 1.00 0.00 C ATOM 213 NZ LYS A 14 -0.387 2.523 10.781 1.00 0.00 N ATOM 0 H LYS A 14 -4.830 3.937 6.365 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.745 6.077 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.401 4.744 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.396 5.559 8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.937 3.799 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.932 2.982 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.236 1.800 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.289 3.004 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.164 4.424 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.303 3.402 11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.018 2.872 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.731 1.549 10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.372 2.538 10.070 1.00 0.00 H new ATOM 227 N THR A 15 -3.157 7.726 6.942 1.00 0.00 N ATOM 228 CA THR A 15 -2.798 8.870 6.039 1.00 0.00 C ATOM 229 C THR A 15 -2.262 8.356 4.701 1.00 0.00 C ATOM 230 O THR A 15 -1.589 7.347 4.634 1.00 0.00 O ATOM 231 CB THR A 15 -1.720 9.742 6.692 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.102 10.058 8.025 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.558 11.036 5.888 1.00 0.00 C ATOM 0 H THR A 15 -2.719 7.752 7.863 1.00 0.00 H new ATOM 0 HA THR A 15 -3.701 9.457 5.869 1.00 0.00 H new ATOM 0 HB THR A 15 -0.775 9.199 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.410 10.614 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.792 11.658 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.262 10.795 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.504 11.577 5.874 1.00 0.00 H new ATOM 241 N GLY A 16 -2.534 9.065 3.636 1.00 0.00 N ATOM 242 CA GLY A 16 -2.020 8.646 2.298 1.00 0.00 C ATOM 243 C GLY A 16 -2.951 7.610 1.673 1.00 0.00 C ATOM 244 O GLY A 16 -3.391 7.759 0.550 1.00 0.00 O ATOM 0 H GLY A 16 -3.092 9.919 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.939 9.514 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.018 8.230 2.400 1.00 0.00 H new ATOM 248 N GLU A 17 -3.254 6.560 2.381 1.00 0.00 N ATOM 249 CA GLU A 17 -4.154 5.526 1.813 1.00 0.00 C ATOM 250 C GLU A 17 -5.434 6.192 1.311 1.00 0.00 C ATOM 251 O GLU A 17 -5.861 7.207 1.824 1.00 0.00 O ATOM 252 CB GLU A 17 -4.486 4.494 2.889 1.00 0.00 C ATOM 253 CG GLU A 17 -3.286 3.566 3.100 1.00 0.00 C ATOM 254 CD GLU A 17 -3.554 2.645 4.289 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.338 3.025 5.142 1.00 0.00 O ATOM 256 OE2 GLU A 17 -2.967 1.575 4.328 1.00 0.00 O ATOM 0 H GLU A 17 -2.917 6.375 3.326 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.661 5.024 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.739 4.996 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.360 3.913 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.108 2.975 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.386 4.154 3.278 1.00 0.00 H new ATOM 263 N SER A 18 -6.041 5.635 0.300 1.00 0.00 N ATOM 264 CA SER A 18 -7.286 6.242 -0.253 1.00 0.00 C ATOM 265 C SER A 18 -8.097 5.181 -0.994 1.00 0.00 C ATOM 266 O SER A 18 -7.590 4.142 -1.368 1.00 0.00 O ATOM 267 CB SER A 18 -6.914 7.356 -1.231 1.00 0.00 C ATOM 268 OG SER A 18 -8.103 7.915 -1.779 1.00 0.00 O ATOM 0 H SER A 18 -5.729 4.784 -0.168 1.00 0.00 H new ATOM 0 HA SER A 18 -7.880 6.647 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.337 8.127 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.283 6.961 -2.027 1.00 0.00 H new ATOM 0 HG SER A 18 -7.869 8.631 -2.406 1.00 0.00 H new ATOM 274 N GLN A 19 -9.357 5.447 -1.213 1.00 0.00 N ATOM 275 CA GLN A 19 -10.237 4.480 -1.938 1.00 0.00 C ATOM 276 C GLN A 19 -10.483 5.002 -3.359 1.00 0.00 C ATOM 277 O GLN A 19 -10.814 6.153 -3.558 1.00 0.00 O ATOM 278 CB GLN A 19 -11.564 4.367 -1.179 1.00 0.00 C ATOM 279 CG GLN A 19 -12.544 3.461 -1.930 1.00 0.00 C ATOM 280 CD GLN A 19 -11.917 2.089 -2.179 1.00 0.00 C ATOM 281 OE1 GLN A 19 -11.185 1.907 -3.132 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.174 1.109 -1.357 1.00 0.00 N ATOM 0 H GLN A 19 -9.822 6.305 -0.917 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.767 3.498 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.384 3.968 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.001 5.357 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.462 3.349 -1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.819 3.920 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.788 1.262 -0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.761 0.190 -1.514 1.00 0.00 H new ATOM 291 N ARG A 20 -10.312 4.163 -4.346 1.00 0.00 N ATOM 292 CA ARG A 20 -10.525 4.596 -5.763 1.00 0.00 C ATOM 293 C ARG A 20 -11.989 4.365 -6.150 1.00 0.00 C ATOM 294 O ARG A 20 -12.701 3.626 -5.499 1.00 0.00 O ATOM 295 CB ARG A 20 -9.593 3.782 -6.677 1.00 0.00 C ATOM 296 CG ARG A 20 -9.725 4.232 -8.157 1.00 0.00 C ATOM 297 CD ARG A 20 -8.363 4.132 -8.869 1.00 0.00 C ATOM 298 NE ARG A 20 -8.548 4.245 -10.349 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.522 4.497 -11.127 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.348 4.741 -10.612 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.677 4.519 -12.424 1.00 0.00 N ATOM 0 H ARG A 20 -10.032 3.189 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.298 5.656 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.561 3.902 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.832 2.722 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.458 3.609 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.092 5.257 -8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.700 4.922 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.885 3.183 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.476 4.126 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.224 4.736 -9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.554 4.936 -11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.595 4.340 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.880 4.715 -13.030 1.00 0.00 H new ATOM 315 N LYS A 21 -12.446 4.988 -7.200 1.00 0.00 N ATOM 316 CA LYS A 21 -13.861 4.797 -7.615 1.00 0.00 C ATOM 317 C LYS A 21 -14.072 3.350 -8.068 1.00 0.00 C ATOM 318 O LYS A 21 -15.175 2.843 -8.069 1.00 0.00 O ATOM 319 CB LYS A 21 -14.200 5.760 -8.764 1.00 0.00 C ATOM 320 CG LYS A 21 -13.224 5.566 -9.955 1.00 0.00 C ATOM 321 CD LYS A 21 -12.154 6.674 -9.968 1.00 0.00 C ATOM 322 CE LYS A 21 -12.711 7.934 -10.644 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.789 7.716 -12.117 1.00 0.00 N ATOM 0 H LYS A 21 -11.901 5.620 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.517 5.007 -6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.224 5.590 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.147 6.789 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.743 4.590 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.780 5.579 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.845 6.905 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.267 6.328 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.699 8.165 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.072 8.789 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.816 8.635 -12.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.955 7.182 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.650 7.179 -12.343 1.00 0.00 H new ATOM 337 N ASP A 22 -13.017 2.684 -8.452 1.00 0.00 N ATOM 338 CA ASP A 22 -13.153 1.269 -8.906 1.00 0.00 C ATOM 339 C ASP A 22 -13.124 0.340 -7.687 1.00 0.00 C ATOM 340 O ASP A 22 -13.385 -0.841 -7.791 1.00 0.00 O ATOM 341 CB ASP A 22 -11.996 0.920 -9.847 1.00 0.00 C ATOM 342 CG ASP A 22 -12.153 1.686 -11.162 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.257 2.120 -11.445 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.164 1.828 -11.863 1.00 0.00 O ATOM 0 H ASP A 22 -12.068 3.057 -8.471 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.098 1.144 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.045 1.173 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.982 -0.153 -10.039 1.00 0.00 H new ATOM 349 N GLY A 23 -12.833 0.873 -6.525 1.00 0.00 N ATOM 350 CA GLY A 23 -12.813 0.035 -5.284 1.00 0.00 C ATOM 351 C GLY A 23 -11.374 -0.308 -4.894 1.00 0.00 C ATOM 352 O GLY A 23 -11.065 -0.462 -3.730 1.00 0.00 O ATOM 0 H GLY A 23 -12.607 1.857 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.300 0.570 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.380 -0.881 -5.447 1.00 0.00 H new ATOM 356 N ARG A 24 -10.489 -0.437 -5.847 1.00 0.00 N ATOM 357 CA ARG A 24 -9.083 -0.776 -5.488 1.00 0.00 C ATOM 358 C ARG A 24 -8.495 0.339 -4.624 1.00 0.00 C ATOM 359 O ARG A 24 -8.698 1.511 -4.874 1.00 0.00 O ATOM 360 CB ARG A 24 -8.231 -0.978 -6.752 1.00 0.00 C ATOM 361 CG ARG A 24 -8.543 0.083 -7.801 1.00 0.00 C ATOM 362 CD ARG A 24 -7.562 -0.058 -8.974 1.00 0.00 C ATOM 363 NE ARG A 24 -7.858 -1.304 -9.743 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.353 -1.472 -10.942 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.584 -0.556 -11.466 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.609 -2.563 -11.612 1.00 0.00 N ATOM 0 H ARG A 24 -10.675 -0.324 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.078 -1.710 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.173 -0.936 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.418 -1.969 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.568 -0.029 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.463 1.078 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.639 0.810 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.538 -0.086 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.453 -2.025 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.374 0.294 -10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.193 -0.690 -12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.202 -3.285 -11.203 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.216 -2.693 -12.544 1.00 0.00 H new ATOM 380 N TYR A 25 -7.776 -0.025 -3.597 1.00 0.00 N ATOM 381 CA TYR A 25 -7.174 0.993 -2.696 1.00 0.00 C ATOM 382 C TYR A 25 -5.891 1.545 -3.330 1.00 0.00 C ATOM 383 O TYR A 25 -5.438 1.065 -4.353 1.00 0.00 O ATOM 384 CB TYR A 25 -6.848 0.340 -1.350 1.00 0.00 C ATOM 385 CG TYR A 25 -8.129 -0.087 -0.665 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.042 0.879 -0.225 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.402 -1.449 -0.466 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.228 0.485 0.410 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.589 -1.841 0.170 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.501 -0.874 0.607 1.00 0.00 C ATOM 391 OH TYR A 25 -11.669 -1.258 1.230 1.00 0.00 O ATOM 0 H TYR A 25 -7.580 -0.993 -3.343 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.877 1.812 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.200 -0.523 -1.501 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.303 1.041 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.832 1.928 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.698 -2.196 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.932 1.231 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.799 -2.889 0.322 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.219 -0.467 1.411 1.00 0.00 H new ATOM 401 N LEU A 26 -5.305 2.552 -2.733 1.00 0.00 N ATOM 402 CA LEU A 26 -4.053 3.142 -3.299 1.00 0.00 C ATOM 403 C LEU A 26 -3.255 3.849 -2.183 1.00 0.00 C ATOM 404 O LEU A 26 -3.811 4.522 -1.339 1.00 0.00 O ATOM 405 CB LEU A 26 -4.431 4.140 -4.417 1.00 0.00 C ATOM 406 CG LEU A 26 -3.247 5.092 -4.726 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.357 5.632 -6.173 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.201 6.270 -3.708 1.00 0.00 C ATOM 0 H LEU A 26 -5.640 2.992 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.426 2.355 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.710 3.595 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.302 4.721 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.320 4.527 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.520 6.299 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.336 4.798 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.293 6.179 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.362 6.924 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.130 6.837 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.079 5.875 -2.700 1.00 0.00 H new ATOM 420 N TYR A 27 -1.946 3.702 -2.186 1.00 0.00 N ATOM 421 CA TYR A 27 -1.086 4.366 -1.143 1.00 0.00 C ATOM 422 C TYR A 27 0.150 4.974 -1.818 1.00 0.00 C ATOM 423 O TYR A 27 0.557 4.548 -2.882 1.00 0.00 O ATOM 424 CB TYR A 27 -0.645 3.342 -0.090 1.00 0.00 C ATOM 425 CG TYR A 27 0.306 3.998 0.890 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.159 4.993 1.757 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.649 3.599 0.942 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.713 5.590 2.678 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.523 4.202 1.863 1.00 0.00 C ATOM 430 CZ TYR A 27 2.053 5.194 2.730 1.00 0.00 C ATOM 431 OH TYR A 27 2.912 5.781 3.639 1.00 0.00 O ATOM 0 H TYR A 27 -1.433 3.147 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.661 5.151 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.515 2.951 0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.158 2.495 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.193 5.302 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.011 2.830 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.350 6.356 3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.559 3.899 1.901 1.00 0.00 H new ATOM 0 HH TYR A 27 3.806 5.390 3.544 1.00 0.00 H new ATOM 441 N LYS A 28 0.738 5.980 -1.212 1.00 0.00 N ATOM 442 CA LYS A 28 1.941 6.647 -1.813 1.00 0.00 C ATOM 443 C LYS A 28 3.141 6.539 -0.870 1.00 0.00 C ATOM 444 O LYS A 28 3.028 6.723 0.325 1.00 0.00 O ATOM 445 CB LYS A 28 1.625 8.131 -2.035 1.00 0.00 C ATOM 446 CG LYS A 28 2.777 8.816 -2.794 1.00 0.00 C ATOM 447 CD LYS A 28 2.648 10.345 -2.686 1.00 0.00 C ATOM 448 CE LYS A 28 3.986 11.020 -3.046 1.00 0.00 C ATOM 449 NZ LYS A 28 3.717 12.314 -3.734 1.00 0.00 N ATOM 0 H LYS A 28 0.434 6.371 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 28 2.182 6.157 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.698 8.232 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.469 8.624 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.734 8.494 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.762 8.515 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.863 10.699 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.354 10.622 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.575 11.190 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.573 10.367 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.619 12.771 -3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.172 12.139 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.173 12.936 -3.103 1.00 0.00 H new ATOM 463 N TYR A 29 4.303 6.277 -1.416 1.00 0.00 N ATOM 464 CA TYR A 29 5.534 6.193 -0.576 1.00 0.00 C ATOM 465 C TYR A 29 6.710 6.786 -1.361 1.00 0.00 C ATOM 466 O TYR A 29 6.630 6.986 -2.557 1.00 0.00 O ATOM 467 CB TYR A 29 5.818 4.732 -0.189 1.00 0.00 C ATOM 468 CG TYR A 29 6.472 3.974 -1.327 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.722 3.615 -2.452 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.823 3.611 -1.240 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.324 2.895 -3.492 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.421 2.887 -2.274 1.00 0.00 C ATOM 473 CZ TYR A 29 7.674 2.529 -3.402 1.00 0.00 C ATOM 474 OH TYR A 29 8.261 1.807 -4.419 1.00 0.00 O ATOM 0 H TYR A 29 4.451 6.117 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 29 5.392 6.760 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.466 4.706 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.886 4.240 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.680 3.893 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.402 3.891 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.748 2.622 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.461 2.603 -2.203 1.00 0.00 H new ATOM 0 HH TYR A 29 9.105 2.233 -4.678 1.00 0.00 H new ATOM 484 N ILE A 30 7.792 7.074 -0.692 1.00 0.00 N ATOM 485 CA ILE A 30 8.989 7.663 -1.372 1.00 0.00 C ATOM 486 C ILE A 30 10.053 6.573 -1.565 1.00 0.00 C ATOM 487 O ILE A 30 10.344 5.811 -0.666 1.00 0.00 O ATOM 488 CB ILE A 30 9.536 8.813 -0.491 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.802 10.123 -0.815 1.00 0.00 C ATOM 490 CG2 ILE A 30 11.039 9.019 -0.726 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.290 9.920 -0.732 1.00 0.00 C ATOM 0 H ILE A 30 7.903 6.926 0.311 1.00 0.00 H new ATOM 0 HA ILE A 30 8.719 8.057 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 30 9.371 8.540 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.110 10.902 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.076 10.463 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.398 9.832 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.575 8.103 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.213 9.268 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.784 10.857 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.986 9.156 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.020 9.602 0.275 1.00 0.00 H new ATOM 503 N ASP A 31 10.643 6.501 -2.732 1.00 0.00 N ATOM 504 CA ASP A 31 11.698 5.474 -2.967 1.00 0.00 C ATOM 505 C ASP A 31 13.009 5.981 -2.362 1.00 0.00 C ATOM 506 O ASP A 31 13.141 7.146 -2.041 1.00 0.00 O ATOM 507 CB ASP A 31 11.877 5.234 -4.470 1.00 0.00 C ATOM 508 CG ASP A 31 10.646 4.512 -5.022 1.00 0.00 C ATOM 509 OD1 ASP A 31 10.142 3.633 -4.341 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.232 4.846 -6.120 1.00 0.00 O ATOM 0 H ASP A 31 10.440 7.107 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 31 11.408 4.532 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.017 6.184 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.772 4.639 -4.650 1.00 0.00 H new ATOM 515 N SER A 32 13.974 5.124 -2.185 1.00 0.00 N ATOM 516 CA SER A 32 15.261 5.573 -1.577 1.00 0.00 C ATOM 517 C SER A 32 15.894 6.684 -2.419 1.00 0.00 C ATOM 518 O SER A 32 16.956 7.176 -2.093 1.00 0.00 O ATOM 519 CB SER A 32 16.240 4.398 -1.463 1.00 0.00 C ATOM 520 OG SER A 32 17.527 4.894 -1.118 1.00 0.00 O ATOM 0 H SER A 32 13.930 4.136 -2.433 1.00 0.00 H new ATOM 0 HA SER A 32 15.047 5.958 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.894 3.693 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.287 3.855 -2.407 1.00 0.00 H new ATOM 0 HG SER A 32 17.489 5.870 -1.032 1.00 0.00 H new ATOM 526 N PHE A 33 15.265 7.085 -3.500 1.00 0.00 N ATOM 527 CA PHE A 33 15.856 8.165 -4.358 1.00 0.00 C ATOM 528 C PHE A 33 15.150 9.502 -4.080 1.00 0.00 C ATOM 529 O PHE A 33 15.678 10.558 -4.370 1.00 0.00 O ATOM 530 CB PHE A 33 15.686 7.786 -5.836 1.00 0.00 C ATOM 531 CG PHE A 33 15.850 6.289 -5.986 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.044 5.675 -5.593 1.00 0.00 C ATOM 533 CD2 PHE A 33 14.806 5.513 -6.515 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.200 4.290 -5.729 1.00 0.00 C ATOM 535 CE2 PHE A 33 14.961 4.128 -6.650 1.00 0.00 C ATOM 536 CZ PHE A 33 16.159 3.517 -6.259 1.00 0.00 C ATOM 0 H PHE A 33 14.372 6.714 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 33 16.916 8.272 -4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.703 8.094 -6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.424 8.308 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.847 6.270 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.883 5.985 -6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.123 3.818 -5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.157 3.531 -7.055 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.280 2.449 -6.366 1.00 0.00 H new ATOM 546 N GLY A 34 13.971 9.469 -3.507 1.00 0.00 N ATOM 547 CA GLY A 34 13.236 10.741 -3.199 1.00 0.00 C ATOM 548 C GLY A 34 12.117 10.955 -4.220 1.00 0.00 C ATOM 549 O GLY A 34 11.367 11.908 -4.140 1.00 0.00 O ATOM 0 H GLY A 34 13.483 8.615 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.819 10.696 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.926 11.584 -3.220 1.00 0.00 H new ATOM 553 N GLU A 35 11.993 10.079 -5.183 1.00 0.00 N ATOM 554 CA GLU A 35 10.914 10.244 -6.202 1.00 0.00 C ATOM 555 C GLU A 35 9.604 9.658 -5.656 1.00 0.00 C ATOM 556 O GLU A 35 9.627 8.708 -4.903 1.00 0.00 O ATOM 557 CB GLU A 35 11.311 9.512 -7.490 1.00 0.00 C ATOM 558 CG GLU A 35 11.605 8.042 -7.183 1.00 0.00 C ATOM 559 CD GLU A 35 12.075 7.340 -8.460 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.540 8.027 -9.353 1.00 0.00 O ATOM 561 OE2 GLU A 35 11.961 6.126 -8.521 1.00 0.00 O ATOM 0 H GLU A 35 12.589 9.261 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 35 10.774 11.303 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.508 9.586 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.189 9.983 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.370 7.966 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.711 7.554 -6.795 1.00 0.00 H new ATOM 568 N PRO A 36 8.467 10.218 -6.019 1.00 0.00 N ATOM 569 CA PRO A 36 7.140 9.723 -5.541 1.00 0.00 C ATOM 570 C PRO A 36 6.624 8.510 -6.332 1.00 0.00 C ATOM 571 O PRO A 36 6.718 8.459 -7.542 1.00 0.00 O ATOM 572 CB PRO A 36 6.233 10.928 -5.782 1.00 0.00 C ATOM 573 CG PRO A 36 6.780 11.534 -7.025 1.00 0.00 C ATOM 574 CD PRO A 36 8.300 11.388 -6.915 1.00 0.00 C ATOM 0 HA PRO A 36 7.183 9.378 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.192 10.628 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.265 11.628 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.400 11.025 -7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.491 12.582 -7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.759 11.218 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.761 12.283 -6.498 1.00 0.00 H new ATOM 582 N GLN A 37 6.049 7.553 -5.649 1.00 0.00 N ATOM 583 CA GLN A 37 5.481 6.346 -6.334 1.00 0.00 C ATOM 584 C GLN A 37 4.130 6.022 -5.693 1.00 0.00 C ATOM 585 O GLN A 37 3.846 6.428 -4.583 1.00 0.00 O ATOM 586 CB GLN A 37 6.421 5.132 -6.171 1.00 0.00 C ATOM 587 CG GLN A 37 7.474 5.125 -7.281 1.00 0.00 C ATOM 588 CD GLN A 37 8.354 6.360 -7.146 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.622 6.818 -5.957 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.801 6.916 -8.130 1.00 0.00 N flip ATOM 0 H GLN A 37 5.946 7.554 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 37 5.368 6.555 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.909 5.169 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.843 4.209 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.082 4.222 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.990 5.114 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.589 6.555 -9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.388 7.744 -8.026 1.00 0.00 H new ATOM 599 N PHE A 38 3.303 5.284 -6.384 1.00 0.00 N ATOM 600 CA PHE A 38 1.969 4.907 -5.830 1.00 0.00 C ATOM 601 C PHE A 38 1.768 3.407 -6.033 1.00 0.00 C ATOM 602 O PHE A 38 2.210 2.841 -7.014 1.00 0.00 O ATOM 603 CB PHE A 38 0.878 5.685 -6.564 1.00 0.00 C ATOM 604 CG PHE A 38 1.053 7.162 -6.295 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.993 7.895 -7.029 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.276 7.799 -5.319 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.156 9.263 -6.789 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.443 9.169 -5.078 1.00 0.00 C ATOM 609 CZ PHE A 38 1.383 9.900 -5.815 1.00 0.00 C ATOM 0 H PHE A 38 3.496 4.922 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 38 1.917 5.145 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.933 5.489 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.106 5.357 -6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.593 7.404 -7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.451 7.235 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.880 9.828 -7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.153 9.661 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.510 10.956 -5.630 1.00 0.00 H new ATOM 619 N VAL A 39 1.114 2.760 -5.105 1.00 0.00 N ATOM 620 CA VAL A 39 0.877 1.287 -5.208 1.00 0.00 C ATOM 621 C VAL A 39 -0.630 1.036 -5.286 1.00 0.00 C ATOM 622 O VAL A 39 -1.419 1.772 -4.731 1.00 0.00 O ATOM 623 CB VAL A 39 1.457 0.603 -3.954 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.932 0.268 -4.168 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.335 1.547 -2.760 1.00 0.00 C ATOM 0 H VAL A 39 0.728 3.195 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 39 1.359 0.883 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 39 0.901 -0.316 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.329 -0.214 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.032 -0.405 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.489 1.185 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.745 1.065 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.888 2.464 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.285 1.786 -2.591 1.00 0.00 H new ATOM 635 N TYR A 40 -1.032 -0.008 -5.968 1.00 0.00 N ATOM 636 CA TYR A 40 -2.487 -0.335 -6.093 1.00 0.00 C ATOM 637 C TYR A 40 -2.724 -1.729 -5.531 1.00 0.00 C ATOM 638 O TYR A 40 -1.849 -2.571 -5.542 1.00 0.00 O ATOM 639 CB TYR A 40 -2.894 -0.329 -7.567 1.00 0.00 C ATOM 640 CG TYR A 40 -2.896 1.086 -8.083 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.708 1.668 -8.537 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.087 1.813 -8.106 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.715 2.983 -9.016 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.099 3.122 -8.583 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.913 3.711 -9.041 1.00 0.00 C ATOM 646 OH TYR A 40 -2.922 5.009 -9.509 1.00 0.00 O ATOM 0 H TYR A 40 -0.407 -0.655 -6.449 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.074 0.405 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.202 -0.938 -8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.883 -0.771 -7.684 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.787 1.104 -8.518 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.002 1.360 -7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.799 3.436 -9.366 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.022 3.682 -8.600 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.832 5.368 -9.459 1.00 0.00 H new ATOM 656 N SER A 41 -3.901 -1.984 -5.045 1.00 0.00 N ATOM 657 CA SER A 41 -4.193 -3.329 -4.488 1.00 0.00 C ATOM 658 C SER A 41 -5.693 -3.464 -4.257 1.00 0.00 C ATOM 659 O SER A 41 -6.364 -2.516 -3.900 1.00 0.00 O ATOM 660 CB SER A 41 -3.460 -3.510 -3.160 1.00 0.00 C ATOM 661 OG SER A 41 -3.890 -4.719 -2.550 1.00 0.00 O ATOM 0 H SER A 41 -4.674 -1.320 -5.009 1.00 0.00 H new ATOM 0 HA SER A 41 -3.857 -4.091 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.383 -3.535 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.661 -2.665 -2.502 1.00 0.00 H new ATOM 0 HG SER A 41 -3.109 -5.259 -2.307 1.00 0.00 H new ATOM 667 N TRP A 42 -6.228 -4.637 -4.454 1.00 0.00 N ATOM 668 CA TRP A 42 -7.687 -4.836 -4.241 1.00 0.00 C ATOM 669 C TRP A 42 -7.923 -5.270 -2.796 1.00 0.00 C ATOM 670 O TRP A 42 -9.003 -5.692 -2.435 1.00 0.00 O ATOM 671 CB TRP A 42 -8.201 -5.914 -5.196 1.00 0.00 C ATOM 672 CG TRP A 42 -8.332 -5.348 -6.570 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.403 -5.452 -7.541 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.444 -4.598 -7.142 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.871 -4.814 -8.673 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.124 -4.272 -8.478 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.687 -4.172 -6.635 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.002 -3.551 -9.288 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.575 -3.447 -7.448 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.232 -3.137 -8.771 1.00 0.00 C ATOM 0 H TRP A 42 -5.716 -5.467 -4.754 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.220 -3.905 -4.435 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.516 -6.762 -5.205 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.166 -6.288 -4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.450 -5.952 -7.449 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.352 -4.751 -9.549 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.959 -4.404 -5.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.733 -3.315 -10.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.527 -3.127 -7.051 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.918 -2.578 -9.390 1.00 0.00 H new ATOM 691 N LYS A 43 -6.916 -5.164 -1.965 1.00 0.00 N ATOM 692 CA LYS A 43 -7.064 -5.558 -0.531 1.00 0.00 C ATOM 693 C LYS A 43 -6.415 -4.506 0.364 1.00 0.00 C ATOM 694 O LYS A 43 -5.365 -3.974 0.063 1.00 0.00 O ATOM 695 CB LYS A 43 -6.368 -6.900 -0.297 1.00 0.00 C ATOM 696 CG LYS A 43 -7.146 -8.009 -1.006 1.00 0.00 C ATOM 697 CD LYS A 43 -6.709 -9.376 -0.465 1.00 0.00 C ATOM 698 CE LYS A 43 -5.256 -9.646 -0.852 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.957 -11.094 -0.677 1.00 0.00 N ATOM 0 H LYS A 43 -5.991 -4.819 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.124 -5.640 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.345 -6.862 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.308 -7.109 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.216 -7.871 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.970 -7.960 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.816 -9.399 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.353 -10.159 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.083 -9.350 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.587 -9.048 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.118 -11.346 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.773 -11.292 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.770 -11.658 -0.998 1.00 0.00 H new ATOM 713 N LEU A 44 -7.033 -4.221 1.475 1.00 0.00 N ATOM 714 CA LEU A 44 -6.468 -3.222 2.424 1.00 0.00 C ATOM 715 C LEU A 44 -5.553 -3.965 3.394 1.00 0.00 C ATOM 716 O LEU A 44 -4.464 -3.525 3.710 1.00 0.00 O ATOM 717 CB LEU A 44 -7.619 -2.565 3.192 1.00 0.00 C ATOM 718 CG LEU A 44 -7.079 -1.573 4.230 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.299 -0.447 3.535 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.263 -0.974 4.997 1.00 0.00 C ATOM 0 H LEU A 44 -7.914 -4.642 1.769 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.906 -2.452 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.279 -2.048 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.216 -3.330 3.688 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.408 -2.092 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.921 0.250 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.462 -0.872 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.959 0.082 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.895 -0.266 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.924 -0.458 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.813 -1.771 5.497 1.00 0.00 H new ATOM 732 N VAL A 45 -5.998 -5.107 3.850 1.00 0.00 N ATOM 733 CA VAL A 45 -5.192 -5.942 4.790 1.00 0.00 C ATOM 734 C VAL A 45 -4.940 -7.296 4.109 1.00 0.00 C ATOM 735 O VAL A 45 -5.453 -7.564 3.042 1.00 0.00 O ATOM 736 CB VAL A 45 -5.978 -6.143 6.102 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.011 -6.376 7.269 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.816 -4.891 6.393 1.00 0.00 C ATOM 0 H VAL A 45 -6.905 -5.504 3.605 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.245 -5.458 5.028 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.628 -7.011 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.578 -6.516 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.412 -7.265 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.355 -5.512 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.372 -5.032 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.158 -4.028 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.515 -4.722 5.573 1.00 0.00 H new ATOM 748 N ALA A 46 -4.149 -8.139 4.703 1.00 0.00 N ATOM 749 CA ALA A 46 -3.863 -9.460 4.070 1.00 0.00 C ATOM 750 C ALA A 46 -5.027 -10.434 4.303 1.00 0.00 C ATOM 751 O ALA A 46 -5.108 -11.468 3.672 1.00 0.00 O ATOM 752 CB ALA A 46 -2.571 -10.043 4.651 1.00 0.00 C ATOM 0 H ALA A 46 -3.687 -7.975 5.597 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.744 -9.314 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.366 -11.007 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.743 -9.362 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.683 -10.175 5.727 1.00 0.00 H new ATOM 758 N THR A 47 -5.926 -10.131 5.210 1.00 0.00 N ATOM 759 CA THR A 47 -7.069 -11.069 5.469 1.00 0.00 C ATOM 760 C THR A 47 -8.275 -10.713 4.585 1.00 0.00 C ATOM 761 O THR A 47 -9.285 -11.387 4.617 1.00 0.00 O ATOM 762 CB THR A 47 -7.499 -10.987 6.941 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.122 -9.735 7.184 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.286 -11.139 7.861 1.00 0.00 C ATOM 0 H THR A 47 -5.920 -9.284 5.778 1.00 0.00 H new ATOM 0 HA THR A 47 -6.732 -12.079 5.235 1.00 0.00 H new ATOM 0 HB THR A 47 -8.201 -11.795 7.147 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.398 -9.684 8.123 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.608 -11.079 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.813 -12.105 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.571 -10.342 7.656 1.00 0.00 H new ATOM 772 N ASP A 48 -8.195 -9.667 3.802 1.00 0.00 N ATOM 773 CA ASP A 48 -9.364 -9.308 2.940 1.00 0.00 C ATOM 774 C ASP A 48 -9.532 -10.354 1.840 1.00 0.00 C ATOM 775 O ASP A 48 -8.852 -11.360 1.816 1.00 0.00 O ATOM 776 CB ASP A 48 -9.157 -7.937 2.298 1.00 0.00 C ATOM 777 CG ASP A 48 -9.149 -6.858 3.378 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.856 -7.025 4.359 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.442 -5.879 3.204 1.00 0.00 O ATOM 0 H ASP A 48 -7.384 -9.054 3.722 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.257 -9.277 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.216 -7.921 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.951 -7.738 1.578 1.00 0.00 H new ATOM 784 N ARG A 49 -10.445 -10.126 0.931 1.00 0.00 N ATOM 785 CA ARG A 49 -10.673 -11.108 -0.171 1.00 0.00 C ATOM 786 C ARG A 49 -11.152 -10.368 -1.425 1.00 0.00 C ATOM 787 O ARG A 49 -12.125 -9.642 -1.394 1.00 0.00 O ATOM 788 CB ARG A 49 -11.732 -12.118 0.292 1.00 0.00 C ATOM 789 CG ARG A 49 -12.189 -13.017 -0.866 1.00 0.00 C ATOM 790 CD ARG A 49 -10.994 -13.733 -1.500 1.00 0.00 C ATOM 791 NE ARG A 49 -11.503 -14.803 -2.403 1.00 0.00 N ATOM 792 CZ ARG A 49 -10.699 -15.385 -3.247 1.00 0.00 C ATOM 793 NH1 ARG A 49 -9.431 -15.075 -3.261 1.00 0.00 N ATOM 794 NH2 ARG A 49 -11.162 -16.284 -4.072 1.00 0.00 N ATOM 0 H ARG A 49 -11.043 -9.300 0.905 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.748 -11.633 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.325 -12.733 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.590 -11.586 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.907 -13.751 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.701 -12.417 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.383 -13.025 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.357 -14.162 -0.727 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.484 -15.081 -2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.069 -14.377 -2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.802 -15.531 -3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.152 -16.530 -4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.534 -16.741 -4.733 1.00 0.00 H new ATOM 808 N VAL A 50 -10.474 -10.546 -2.531 1.00 0.00 N ATOM 809 CA VAL A 50 -10.893 -9.856 -3.783 1.00 0.00 C ATOM 810 C VAL A 50 -12.025 -10.654 -4.449 1.00 0.00 C ATOM 811 O VAL A 50 -12.087 -11.859 -4.308 1.00 0.00 O ATOM 812 CB VAL A 50 -9.708 -9.794 -4.757 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.488 -9.188 -4.076 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.354 -11.203 -5.255 1.00 0.00 C ATOM 0 H VAL A 50 -9.649 -11.140 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.231 -8.849 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.998 -9.169 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.658 -9.152 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.723 -8.178 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.209 -9.800 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.512 -11.144 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.085 -11.832 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.214 -11.634 -5.768 1.00 0.00 H new ATOM 824 N PRO A 51 -12.888 -10.019 -5.212 1.00 0.00 N ATOM 825 CA PRO A 51 -13.964 -10.755 -5.926 1.00 0.00 C ATOM 826 C PRO A 51 -13.366 -11.933 -6.703 1.00 0.00 C ATOM 827 O PRO A 51 -12.321 -11.815 -7.312 1.00 0.00 O ATOM 828 CB PRO A 51 -14.573 -9.717 -6.888 1.00 0.00 C ATOM 829 CG PRO A 51 -14.205 -8.374 -6.325 1.00 0.00 C ATOM 830 CD PRO A 51 -12.942 -8.568 -5.471 1.00 0.00 C ATOM 0 HA PRO A 51 -14.711 -11.171 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.179 -9.840 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.655 -9.831 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.021 -7.659 -7.126 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.020 -7.974 -5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.051 -8.226 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.001 -8.001 -4.542 1.00 0.00 H new ATOM 838 N ALA A 52 -14.001 -13.063 -6.675 1.00 0.00 N ATOM 839 CA ALA A 52 -13.450 -14.241 -7.400 1.00 0.00 C ATOM 840 C ALA A 52 -13.023 -13.847 -8.814 1.00 0.00 C ATOM 841 O ALA A 52 -12.056 -14.355 -9.343 1.00 0.00 O ATOM 842 CB ALA A 52 -14.515 -15.333 -7.469 1.00 0.00 C ATOM 0 H ALA A 52 -14.879 -13.227 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.576 -14.611 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.116 -16.198 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.801 -15.627 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.390 -14.955 -7.998 1.00 0.00 H new ATOM 848 N GLY A 53 -13.729 -12.950 -9.432 1.00 0.00 N ATOM 849 CA GLY A 53 -13.351 -12.537 -10.809 1.00 0.00 C ATOM 850 C GLY A 53 -11.952 -11.910 -10.794 1.00 0.00 C ATOM 851 O GLY A 53 -11.279 -11.848 -11.804 1.00 0.00 O ATOM 0 H GLY A 53 -14.550 -12.484 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.366 -13.400 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.077 -11.822 -11.197 1.00 0.00 H new ATOM 855 N LYS A 54 -11.518 -11.426 -9.656 1.00 0.00 N ATOM 856 CA LYS A 54 -10.178 -10.772 -9.562 1.00 0.00 C ATOM 857 C LYS A 54 -9.136 -11.738 -8.992 1.00 0.00 C ATOM 858 O LYS A 54 -9.405 -12.498 -8.084 1.00 0.00 O ATOM 859 CB LYS A 54 -10.313 -9.563 -8.645 1.00 0.00 C ATOM 860 CG LYS A 54 -11.408 -8.625 -9.172 1.00 0.00 C ATOM 861 CD LYS A 54 -11.084 -8.169 -10.604 1.00 0.00 C ATOM 862 CE LYS A 54 -11.816 -6.861 -10.910 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.261 -7.011 -10.575 1.00 0.00 N ATOM 0 H LYS A 54 -12.041 -11.457 -8.781 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.846 -10.472 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.557 -9.889 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.363 -9.031 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.371 -9.135 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.496 -7.757 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.009 -8.029 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.382 -8.938 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.381 -6.045 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.700 -6.605 -11.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.803 -6.244 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.605 -7.928 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.385 -6.965 -9.543 1.00 0.00 H new ATOM 877 N ARG A 55 -7.938 -11.700 -9.521 1.00 0.00 N ATOM 878 CA ARG A 55 -6.864 -12.604 -9.018 1.00 0.00 C ATOM 879 C ARG A 55 -6.328 -12.083 -7.685 1.00 0.00 C ATOM 880 O ARG A 55 -6.385 -10.904 -7.396 1.00 0.00 O ATOM 881 CB ARG A 55 -5.723 -12.669 -10.041 1.00 0.00 C ATOM 882 CG ARG A 55 -5.134 -11.267 -10.267 1.00 0.00 C ATOM 883 CD ARG A 55 -4.133 -11.300 -11.438 1.00 0.00 C ATOM 884 NE ARG A 55 -3.005 -10.347 -11.174 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.228 -9.104 -10.831 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.437 -8.617 -10.855 1.00 0.00 N ATOM 887 NH2 ARG A 55 -2.225 -8.333 -10.506 1.00 0.00 N ATOM 0 H ARG A 55 -7.659 -11.080 -10.281 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.277 -13.602 -8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.945 -13.346 -9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.092 -13.073 -10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.933 -10.558 -10.481 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.636 -10.922 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.744 -12.310 -11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.637 -11.032 -12.366 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.043 -10.675 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.218 -9.206 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.602 -7.647 -10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.274 -8.701 -10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.393 -7.363 -10.238 1.00 0.00 H new ATOM 901 N ASP A 56 -5.805 -12.960 -6.872 1.00 0.00 N ATOM 902 CA ASP A 56 -5.265 -12.525 -5.555 1.00 0.00 C ATOM 903 C ASP A 56 -4.319 -11.346 -5.758 1.00 0.00 C ATOM 904 O ASP A 56 -3.836 -11.101 -6.846 1.00 0.00 O ATOM 905 CB ASP A 56 -4.507 -13.683 -4.902 1.00 0.00 C ATOM 906 CG ASP A 56 -3.349 -14.116 -5.804 1.00 0.00 C ATOM 907 OD1 ASP A 56 -3.594 -14.881 -6.722 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.236 -13.681 -5.558 1.00 0.00 O ATOM 0 H ASP A 56 -5.729 -13.959 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.089 -12.223 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.127 -13.378 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.182 -14.522 -4.732 1.00 0.00 H new ATOM 913 N CYS A 57 -4.055 -10.608 -4.718 1.00 0.00 N ATOM 914 CA CYS A 57 -3.144 -9.440 -4.838 1.00 0.00 C ATOM 915 C CYS A 57 -2.473 -9.201 -3.489 1.00 0.00 C ATOM 916 O CYS A 57 -2.905 -9.701 -2.473 1.00 0.00 O ATOM 917 CB CYS A 57 -3.947 -8.203 -5.258 1.00 0.00 C ATOM 918 SG CYS A 57 -4.950 -7.615 -3.871 1.00 0.00 S ATOM 0 H CYS A 57 -4.434 -10.766 -3.784 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.382 -9.634 -5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.270 -7.415 -5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.589 -8.446 -6.104 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.463 -6.495 -3.427 1.00 0.00 H new ATOM 924 N ILE A 58 -1.408 -8.460 -3.470 1.00 0.00 N ATOM 925 CA ILE A 58 -0.702 -8.203 -2.185 1.00 0.00 C ATOM 926 C ILE A 58 -1.320 -6.983 -1.488 1.00 0.00 C ATOM 927 O ILE A 58 -1.467 -5.928 -2.073 1.00 0.00 O ATOM 928 CB ILE A 58 0.784 -7.966 -2.481 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.398 -9.236 -3.124 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.523 -7.608 -1.185 1.00 0.00 C ATOM 931 CD1 ILE A 58 1.815 -10.259 -2.054 1.00 0.00 C ATOM 0 H ILE A 58 -0.992 -8.018 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.804 -9.061 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 58 0.886 -7.136 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.674 -9.690 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.265 -8.960 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.578 -7.441 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.092 -6.702 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.424 -8.427 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.242 -11.138 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.558 -9.812 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.942 -10.553 -1.472 1.00 0.00 H new ATOM 943 N SER A 59 -1.691 -7.128 -0.240 1.00 0.00 N ATOM 944 CA SER A 59 -2.309 -5.991 0.511 1.00 0.00 C ATOM 945 C SER A 59 -1.337 -4.807 0.558 1.00 0.00 C ATOM 946 O SER A 59 -0.180 -4.927 0.204 1.00 0.00 O ATOM 947 CB SER A 59 -2.635 -6.443 1.936 1.00 0.00 C ATOM 948 OG SER A 59 -1.431 -6.791 2.608 1.00 0.00 O ATOM 0 H SER A 59 -1.592 -7.991 0.294 1.00 0.00 H new ATOM 0 HA SER A 59 -3.224 -5.681 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.147 -5.645 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.311 -7.297 1.913 1.00 0.00 H new ATOM 0 HG SER A 59 -1.532 -7.672 3.025 1.00 0.00 H new ATOM 954 N LEU A 60 -1.798 -3.661 0.988 1.00 0.00 N ATOM 955 CA LEU A 60 -0.898 -2.472 1.049 1.00 0.00 C ATOM 956 C LEU A 60 -0.018 -2.548 2.300 1.00 0.00 C ATOM 957 O LEU A 60 1.193 -2.530 2.219 1.00 0.00 O ATOM 958 CB LEU A 60 -1.739 -1.191 1.118 1.00 0.00 C ATOM 959 CG LEU A 60 -2.560 -1.025 -0.166 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.630 0.048 0.053 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.656 -0.602 -1.336 1.00 0.00 C ATOM 0 H LEU A 60 -2.756 -3.498 1.299 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.272 -2.460 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.404 -1.230 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.088 -0.327 1.256 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.027 -1.980 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.216 0.169 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.286 -0.254 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.150 0.994 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.257 -0.489 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.175 0.347 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.894 -1.364 -1.501 1.00 0.00 H new ATOM 973 N ARG A 61 -0.625 -2.608 3.454 1.00 0.00 N ATOM 974 CA ARG A 61 0.153 -2.652 4.728 1.00 0.00 C ATOM 975 C ARG A 61 1.368 -3.576 4.595 1.00 0.00 C ATOM 976 O ARG A 61 2.453 -3.245 5.032 1.00 0.00 O ATOM 977 CB ARG A 61 -0.764 -3.159 5.850 1.00 0.00 C ATOM 978 CG ARG A 61 -2.108 -2.377 5.828 1.00 0.00 C ATOM 979 CD ARG A 61 -2.499 -1.915 7.237 1.00 0.00 C ATOM 980 NE ARG A 61 -3.661 -0.988 7.135 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.334 -0.662 8.201 1.00 0.00 C ATOM 982 NH1 ARG A 61 -3.995 -1.154 9.362 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.343 0.160 8.108 1.00 0.00 N ATOM 0 H ARG A 61 -1.638 -2.629 3.571 1.00 0.00 H new ATOM 0 HA ARG A 61 0.514 -1.650 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.951 -4.225 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.275 -3.033 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.019 -1.513 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.895 -3.010 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.755 -2.774 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.658 -1.414 7.717 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.930 -0.608 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.203 -1.793 9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.522 -0.899 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.604 0.547 7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.871 0.416 8.942 1.00 0.00 H new ATOM 997 N GLU A 62 1.208 -4.725 4.003 1.00 0.00 N ATOM 998 CA GLU A 62 2.369 -5.649 3.859 1.00 0.00 C ATOM 999 C GLU A 62 3.363 -5.065 2.851 1.00 0.00 C ATOM 1000 O GLU A 62 4.562 -5.119 3.042 1.00 0.00 O ATOM 1001 CB GLU A 62 1.870 -7.014 3.369 1.00 0.00 C ATOM 1002 CG GLU A 62 1.023 -7.676 4.464 1.00 0.00 C ATOM 1003 CD GLU A 62 0.888 -9.173 4.184 1.00 0.00 C ATOM 1004 OE1 GLU A 62 1.109 -9.568 3.052 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.562 -9.900 5.109 1.00 0.00 O ATOM 0 H GLU A 62 0.329 -5.065 3.614 1.00 0.00 H new ATOM 0 HA GLU A 62 2.866 -5.770 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.279 -6.892 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.716 -7.652 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.486 -7.520 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.037 -7.214 4.502 1.00 0.00 H new ATOM 1012 N LYS A 63 2.875 -4.513 1.775 1.00 0.00 N ATOM 1013 CA LYS A 63 3.792 -3.931 0.756 1.00 0.00 C ATOM 1014 C LYS A 63 4.495 -2.683 1.325 1.00 0.00 C ATOM 1015 O LYS A 63 5.687 -2.514 1.168 1.00 0.00 O ATOM 1016 CB LYS A 63 2.980 -3.560 -0.489 1.00 0.00 C ATOM 1017 CG LYS A 63 3.917 -3.381 -1.693 1.00 0.00 C ATOM 1018 CD LYS A 63 3.099 -3.290 -2.996 1.00 0.00 C ATOM 1019 CE LYS A 63 2.799 -4.694 -3.538 1.00 0.00 C ATOM 1020 NZ LYS A 63 4.072 -5.455 -3.695 1.00 0.00 N ATOM 0 H LYS A 63 1.881 -4.440 1.557 1.00 0.00 H new ATOM 0 HA LYS A 63 4.555 -4.662 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.247 -4.339 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.424 -2.639 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.515 -2.478 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.612 -4.218 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.166 -2.758 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.651 -2.716 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.130 -5.222 -2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.286 -4.622 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.982 -6.122 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.851 -4.793 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.272 -5.981 -2.820 1.00 0.00 H new ATOM 1034 N ILE A 64 3.771 -1.809 1.985 1.00 0.00 N ATOM 1035 CA ILE A 64 4.415 -0.581 2.555 1.00 0.00 C ATOM 1036 C ILE A 64 5.660 -0.990 3.360 1.00 0.00 C ATOM 1037 O ILE A 64 6.764 -0.581 3.061 1.00 0.00 O ATOM 1038 CB ILE A 64 3.397 0.161 3.471 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.503 1.104 2.640 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.123 0.996 4.541 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.420 0.307 1.923 1.00 0.00 C ATOM 0 H ILE A 64 2.768 -1.892 2.153 1.00 0.00 H new ATOM 0 HA ILE A 64 4.716 0.089 1.750 1.00 0.00 H new ATOM 0 HB ILE A 64 2.785 -0.599 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.046 1.850 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.109 1.644 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.389 1.503 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.736 0.341 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.759 1.736 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.796 0.984 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.884 -0.422 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.804 -0.213 2.657 1.00 0.00 H new ATOM 1053 N ALA A 65 5.487 -1.782 4.381 1.00 0.00 N ATOM 1054 CA ALA A 65 6.655 -2.200 5.211 1.00 0.00 C ATOM 1055 C ALA A 65 7.740 -2.818 4.326 1.00 0.00 C ATOM 1056 O ALA A 65 8.918 -2.648 4.566 1.00 0.00 O ATOM 1057 CB ALA A 65 6.201 -3.240 6.238 1.00 0.00 C ATOM 0 H ALA A 65 4.587 -2.159 4.678 1.00 0.00 H new ATOM 0 HA ALA A 65 7.059 -1.323 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.052 -3.547 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.434 -2.807 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.793 -4.108 5.721 1.00 0.00 H new ATOM 1063 N GLU A 66 7.357 -3.551 3.321 1.00 0.00 N ATOM 1064 CA GLU A 66 8.371 -4.200 2.442 1.00 0.00 C ATOM 1065 C GLU A 66 9.087 -3.163 1.553 1.00 0.00 C ATOM 1066 O GLU A 66 10.272 -3.271 1.306 1.00 0.00 O ATOM 1067 CB GLU A 66 7.676 -5.239 1.554 1.00 0.00 C ATOM 1068 CG GLU A 66 7.259 -6.453 2.395 1.00 0.00 C ATOM 1069 CD GLU A 66 6.314 -7.338 1.576 1.00 0.00 C ATOM 1070 OE1 GLU A 66 5.454 -6.791 0.906 1.00 0.00 O ATOM 1071 OE2 GLU A 66 6.465 -8.548 1.636 1.00 0.00 O ATOM 0 H GLU A 66 6.385 -3.730 3.068 1.00 0.00 H new ATOM 0 HA GLU A 66 9.118 -4.680 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.800 -4.797 1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.347 -5.553 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.139 -7.022 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.766 -6.124 3.310 1.00 0.00 H new ATOM 1078 N LEU A 67 8.381 -2.183 1.045 1.00 0.00 N ATOM 1079 CA LEU A 67 9.032 -1.174 0.142 1.00 0.00 C ATOM 1080 C LEU A 67 10.053 -0.307 0.894 1.00 0.00 C ATOM 1081 O LEU A 67 11.193 -0.203 0.494 1.00 0.00 O ATOM 1082 CB LEU A 67 7.954 -0.266 -0.454 1.00 0.00 C ATOM 1083 CG LEU A 67 7.167 -1.030 -1.529 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.915 -0.228 -1.893 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.034 -1.243 -2.794 1.00 0.00 C ATOM 0 H LEU A 67 7.386 -2.035 1.214 1.00 0.00 H new ATOM 0 HA LEU A 67 9.561 -1.717 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.279 0.075 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.413 0.622 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 67 6.886 -2.007 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.349 -0.763 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.295 -0.099 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.208 0.749 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.458 -1.786 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.333 -0.276 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.923 -1.818 -2.533 1.00 0.00 H new ATOM 1097 N GLN A 68 9.670 0.331 1.962 1.00 0.00 N ATOM 1098 CA GLN A 68 10.653 1.192 2.679 1.00 0.00 C ATOM 1099 C GLN A 68 11.728 0.310 3.328 1.00 0.00 C ATOM 1100 O GLN A 68 12.881 0.681 3.403 1.00 0.00 O ATOM 1101 CB GLN A 68 9.926 2.053 3.745 1.00 0.00 C ATOM 1102 CG GLN A 68 8.570 1.432 4.099 1.00 0.00 C ATOM 1103 CD GLN A 68 7.978 2.161 5.306 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.338 1.886 6.433 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.081 3.092 5.118 1.00 0.00 N ATOM 0 H GLN A 68 8.734 0.297 2.366 1.00 0.00 H new ATOM 0 HA GLN A 68 11.135 1.865 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.542 2.131 4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.782 3.065 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.892 1.503 3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.690 0.372 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.778 3.324 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.684 3.587 5.917 1.00 0.00 H new ATOM 1114 N LYS A 69 11.364 -0.848 3.797 1.00 0.00 N ATOM 1115 CA LYS A 69 12.371 -1.741 4.441 1.00 0.00 C ATOM 1116 C LYS A 69 13.286 -2.392 3.384 1.00 0.00 C ATOM 1117 O LYS A 69 14.416 -2.736 3.670 1.00 0.00 O ATOM 1118 CB LYS A 69 11.643 -2.840 5.228 1.00 0.00 C ATOM 1119 CG LYS A 69 12.638 -3.612 6.130 1.00 0.00 C ATOM 1120 CD LYS A 69 12.203 -5.083 6.271 1.00 0.00 C ATOM 1121 CE LYS A 69 12.705 -5.899 5.072 1.00 0.00 C ATOM 1122 NZ LYS A 69 14.137 -6.257 5.282 1.00 0.00 N ATOM 0 H LYS A 69 10.414 -1.217 3.764 1.00 0.00 H new ATOM 0 HA LYS A 69 12.988 -1.142 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.857 -2.397 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.159 -3.530 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.640 -3.561 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.686 -3.144 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.600 -5.500 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.117 -5.145 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.106 -6.802 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.594 -5.323 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.602 -6.383 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.612 -5.496 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.198 -7.142 5.824 1.00 0.00 H new ATOM 1136 N ASP A 70 12.811 -2.586 2.172 1.00 0.00 N ATOM 1137 CA ASP A 70 13.662 -3.245 1.122 1.00 0.00 C ATOM 1138 C ASP A 70 14.281 -2.201 0.190 1.00 0.00 C ATOM 1139 O ASP A 70 15.353 -2.399 -0.347 1.00 0.00 O ATOM 1140 CB ASP A 70 12.788 -4.186 0.297 1.00 0.00 C ATOM 1141 CG ASP A 70 13.663 -4.991 -0.668 1.00 0.00 C ATOM 1142 OD1 ASP A 70 14.846 -5.120 -0.399 1.00 0.00 O ATOM 1143 OD2 ASP A 70 13.133 -5.464 -1.660 1.00 0.00 O ATOM 0 H ASP A 70 11.876 -2.318 1.865 1.00 0.00 H new ATOM 0 HA ASP A 70 14.464 -3.795 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.241 -4.860 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.047 -3.614 -0.261 1.00 0.00 H new ATOM 1148 N ILE A 71 13.626 -1.091 -0.010 1.00 0.00 N ATOM 1149 CA ILE A 71 14.202 -0.049 -0.909 1.00 0.00 C ATOM 1150 C ILE A 71 15.209 0.768 -0.103 1.00 0.00 C ATOM 1151 O ILE A 71 16.387 0.808 -0.404 1.00 0.00 O ATOM 1152 CB ILE A 71 13.085 0.875 -1.412 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.984 0.057 -2.127 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.677 1.918 -2.363 1.00 0.00 C ATOM 1155 CD1 ILE A 71 12.359 -0.221 -3.586 1.00 0.00 C ATOM 0 H ILE A 71 12.724 -0.860 0.406 1.00 0.00 H new ATOM 0 HA ILE A 71 14.687 -0.517 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 71 12.631 1.382 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.830 -0.886 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.040 0.601 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.885 2.575 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.427 2.508 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.142 1.415 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.566 -0.798 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.489 0.723 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.290 -0.787 -3.621 1.00 0.00 H new ATOM 1167 N HIS A 72 14.744 1.406 0.934 1.00 0.00 N ATOM 1168 CA HIS A 72 15.647 2.218 1.806 1.00 0.00 C ATOM 1169 C HIS A 72 16.060 1.355 3.007 1.00 0.00 C ATOM 1170 O HIS A 72 15.221 0.810 3.695 1.00 0.00 O ATOM 1171 CB HIS A 72 14.882 3.463 2.280 1.00 0.00 C ATOM 1172 CG HIS A 72 15.846 4.522 2.748 1.00 0.00 C ATOM 1173 ND1 HIS A 72 16.086 4.759 4.092 1.00 0.00 N ATOM 1174 CD2 HIS A 72 16.628 5.422 2.064 1.00 0.00 C ATOM 1175 CE1 HIS A 72 16.977 5.763 4.174 1.00 0.00 C ATOM 1176 NE2 HIS A 72 17.341 6.204 2.967 1.00 0.00 N ATOM 0 H HIS A 72 13.765 1.401 1.220 1.00 0.00 H new ATOM 0 HA HIS A 72 16.538 2.533 1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 72 14.269 3.853 1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 72 14.204 3.195 3.090 1.00 0.00 H new ATOM 0 HD1 HIS A 72 15.664 4.262 4.876 1.00 0.00 H new ATOM 0 HD2 HIS A 72 16.681 5.509 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 72 17.353 6.164 5.104 1.00 0.00 H new ATOM 1184 N ASP A 73 17.337 1.205 3.253 1.00 0.00 N ATOM 1185 CA ASP A 73 17.789 0.354 4.400 1.00 0.00 C ATOM 1186 C ASP A 73 17.167 -1.039 4.270 1.00 0.00 C ATOM 1187 O ASP A 73 16.703 -1.616 5.234 1.00 0.00 O ATOM 1188 CB ASP A 73 17.354 0.972 5.736 1.00 0.00 C ATOM 1189 CG ASP A 73 18.142 2.257 5.996 1.00 0.00 C ATOM 1190 OD1 ASP A 73 19.266 2.156 6.461 1.00 0.00 O ATOM 1191 OD2 ASP A 73 17.604 3.320 5.735 1.00 0.00 O ATOM 0 H ASP A 73 18.087 1.634 2.711 1.00 0.00 H new ATOM 0 HA ASP A 73 18.877 0.287 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 73 16.286 1.188 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.521 0.262 6.546 1.00 0.00 H new TER 1196 ASP A 73