USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 597 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0.0318 USER MOD Set 1.3: A 49 LYS NZ :NH3+ -165:sc= 0.839 (180deg=0.461) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0667 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 3 SER OG : rot 21:sc= 0.176! USER MOD Single : A 5 SER OG : rot 41:sc= 0.274 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.717 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.25) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.911 K(o=-0.91,f=-0.34) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.57) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0207) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-9.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : A 40 ASN : amide:sc= -8.21! C(o=-8.2!,f=-19!) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.64 (180deg=-1.61!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -89:sc= 1.06 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.856 K(o=-0.86,f=-3.9!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.920 -3.385 14.629 1.00 0.00 N ATOM 2 CA GLY A 1 -4.515 -3.108 14.388 1.00 0.00 C ATOM 3 C GLY A 1 -4.287 -1.722 13.818 1.00 0.00 C ATOM 4 O GLY A 1 -5.194 -1.125 13.238 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.103 -3.385 15.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.501 -2.653 14.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.163 -4.316 14.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.963 -3.209 15.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.114 -3.851 13.699 1.00 0.00 H new ATOM 8 N SER A 2 -3.073 -1.209 13.983 1.00 0.00 N ATOM 9 CA SER A 2 -2.729 0.118 13.485 1.00 0.00 C ATOM 10 C SER A 2 -2.532 0.096 11.973 1.00 0.00 C ATOM 11 O SER A 2 -3.006 0.982 11.261 1.00 0.00 O ATOM 12 CB SER A 2 -1.460 0.630 14.169 1.00 0.00 C ATOM 13 OG SER A 2 -0.352 -0.202 13.876 1.00 0.00 O ATOM 0 H SER A 2 -2.310 -1.692 14.458 1.00 0.00 H new ATOM 0 HA SER A 2 -3.554 0.791 13.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.251 1.648 13.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.615 0.669 15.247 1.00 0.00 H new ATOM 0 HG SER A 2 0.447 0.147 14.323 1.00 0.00 H new ATOM 19 N SER A 3 -1.829 -0.923 11.489 1.00 0.00 N ATOM 20 CA SER A 3 -1.565 -1.059 10.061 1.00 0.00 C ATOM 21 C SER A 3 -2.868 -1.092 9.268 1.00 0.00 C ATOM 22 O SER A 3 -3.790 -1.835 9.599 1.00 0.00 O ATOM 23 CB SER A 3 -0.757 -2.330 9.790 1.00 0.00 C ATOM 24 OG SER A 3 -1.557 -3.488 9.955 1.00 0.00 O ATOM 0 H SER A 3 -1.432 -1.666 12.064 1.00 0.00 H new ATOM 0 HA SER A 3 -0.987 -0.193 9.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.358 -2.302 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.096 -2.374 10.467 1.00 0.00 H new ATOM 0 HG SER A 3 -2.504 -3.245 9.882 1.00 0.00 H new ATOM 30 N GLY A 4 -2.935 -0.280 8.218 1.00 0.00 N ATOM 31 CA GLY A 4 -4.128 -0.231 7.393 1.00 0.00 C ATOM 32 C GLY A 4 -3.817 0.076 5.941 1.00 0.00 C ATOM 33 O GLY A 4 -3.049 -0.639 5.299 1.00 0.00 O ATOM 0 H GLY A 4 -2.185 0.345 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.649 -1.187 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.806 0.528 7.784 1.00 0.00 H new ATOM 37 N SER A 5 -4.418 1.142 5.422 1.00 0.00 N ATOM 38 CA SER A 5 -4.205 1.539 4.035 1.00 0.00 C ATOM 39 C SER A 5 -3.476 2.877 3.958 1.00 0.00 C ATOM 40 O SER A 5 -3.999 3.907 4.385 1.00 0.00 O ATOM 41 CB SER A 5 -5.543 1.632 3.298 1.00 0.00 C ATOM 42 OG SER A 5 -6.463 2.440 4.011 1.00 0.00 O ATOM 0 H SER A 5 -5.056 1.746 5.941 1.00 0.00 H new ATOM 0 HA SER A 5 -3.586 0.780 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.385 2.047 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.959 0.633 3.165 1.00 0.00 H new ATOM 0 HG SER A 5 -5.997 3.219 4.380 1.00 0.00 H new ATOM 48 N SER A 6 -2.265 2.854 3.411 1.00 0.00 N ATOM 49 CA SER A 6 -1.461 4.063 3.282 1.00 0.00 C ATOM 50 C SER A 6 -0.744 4.097 1.936 1.00 0.00 C ATOM 51 O SER A 6 -0.045 3.153 1.568 1.00 0.00 O ATOM 52 CB SER A 6 -0.441 4.147 4.418 1.00 0.00 C ATOM 53 OG SER A 6 -0.018 5.484 4.626 1.00 0.00 O ATOM 0 H SER A 6 -1.819 2.011 3.050 1.00 0.00 H new ATOM 0 HA SER A 6 -2.130 4.922 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.880 3.754 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.421 3.522 4.184 1.00 0.00 H new ATOM 0 HG SER A 6 0.632 5.511 5.358 1.00 0.00 H new ATOM 59 N GLY A 7 -0.922 5.193 1.204 1.00 0.00 N ATOM 60 CA GLY A 7 -0.286 5.330 -0.093 1.00 0.00 C ATOM 61 C GLY A 7 1.111 4.743 -0.119 1.00 0.00 C ATOM 62 O GLY A 7 1.464 4.004 -1.039 1.00 0.00 O ATOM 0 H GLY A 7 -1.495 5.988 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.898 4.837 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.238 6.385 -0.361 1.00 0.00 H new ATOM 66 N ASP A 8 1.909 5.073 0.890 1.00 0.00 N ATOM 67 CA ASP A 8 3.276 4.573 0.980 1.00 0.00 C ATOM 68 C ASP A 8 3.307 3.052 0.870 1.00 0.00 C ATOM 69 O ASP A 8 2.857 2.345 1.772 1.00 0.00 O ATOM 70 CB ASP A 8 3.918 5.015 2.295 1.00 0.00 C ATOM 71 CG ASP A 8 3.558 6.440 2.666 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.308 7.246 1.745 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.528 6.750 3.875 1.00 0.00 O ATOM 0 H ASP A 8 1.633 5.685 1.658 1.00 0.00 H new ATOM 0 HA ASP A 8 3.845 4.991 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.602 4.344 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.001 4.926 2.215 1.00 0.00 H new ATOM 78 N TYR A 9 3.839 2.555 -0.241 1.00 0.00 N ATOM 79 CA TYR A 9 3.925 1.118 -0.471 1.00 0.00 C ATOM 80 C TYR A 9 4.733 0.438 0.630 1.00 0.00 C ATOM 81 O TYR A 9 4.357 -0.624 1.127 1.00 0.00 O ATOM 82 CB TYR A 9 4.560 0.835 -1.834 1.00 0.00 C ATOM 83 CG TYR A 9 3.668 1.190 -3.002 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.331 0.815 -3.020 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.164 1.902 -4.088 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.513 1.137 -4.086 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.353 2.229 -5.157 1.00 0.00 C ATOM 88 CZ TYR A 9 2.029 1.844 -5.152 1.00 0.00 C ATOM 89 OH TYR A 9 1.217 2.168 -6.215 1.00 0.00 O ATOM 0 H TYR A 9 4.217 3.126 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 9 2.913 0.712 -0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.491 1.396 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.818 -0.222 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.924 0.262 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.201 2.204 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.476 0.837 -4.085 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.754 2.783 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 9 1.734 2.667 -6.881 1.00 0.00 H new ATOM 99 N TYR A 10 5.846 1.058 1.007 1.00 0.00 N ATOM 100 CA TYR A 10 6.710 0.513 2.048 1.00 0.00 C ATOM 101 C TYR A 10 5.919 0.239 3.323 1.00 0.00 C ATOM 102 O TYR A 10 6.172 -0.740 4.024 1.00 0.00 O ATOM 103 CB TYR A 10 7.858 1.479 2.344 1.00 0.00 C ATOM 104 CG TYR A 10 8.815 1.655 1.186 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.384 0.556 0.556 1.00 0.00 C ATOM 106 CD2 TYR A 10 9.148 2.922 0.721 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.259 0.713 -0.502 1.00 0.00 C ATOM 108 CE2 TYR A 10 10.020 3.088 -0.337 1.00 0.00 C ATOM 109 CZ TYR A 10 10.574 1.981 -0.945 1.00 0.00 C ATOM 110 OH TYR A 10 11.444 2.141 -1.999 1.00 0.00 O ATOM 0 H TYR A 10 6.171 1.938 0.607 1.00 0.00 H new ATOM 0 HA TYR A 10 7.121 -0.430 1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.444 2.451 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.412 1.117 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.138 -0.438 0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.717 3.792 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.694 -0.152 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.267 4.080 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 10 11.558 3.096 -2.187 1.00 0.00 H new ATOM 120 N GLN A 11 4.961 1.112 3.617 1.00 0.00 N ATOM 121 CA GLN A 11 4.132 0.964 4.808 1.00 0.00 C ATOM 122 C GLN A 11 3.187 -0.224 4.670 1.00 0.00 C ATOM 123 O GLN A 11 2.980 -0.979 5.621 1.00 0.00 O ATOM 124 CB GLN A 11 3.331 2.243 5.059 1.00 0.00 C ATOM 125 CG GLN A 11 4.097 3.298 5.840 1.00 0.00 C ATOM 126 CD GLN A 11 4.100 3.033 7.332 1.00 0.00 C ATOM 127 OE1 GLN A 11 3.646 1.983 7.788 1.00 0.00 O ATOM 128 NE2 GLN A 11 4.612 3.985 8.102 1.00 0.00 N ATOM 0 H GLN A 11 4.740 1.929 3.047 1.00 0.00 H new ATOM 0 HA GLN A 11 4.790 0.783 5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.024 2.663 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.420 1.991 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.125 3.336 5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.656 4.277 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.977 4.840 7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.640 3.862 9.114 1.00 0.00 H new ATOM 137 N ILE A 12 2.615 -0.384 3.481 1.00 0.00 N ATOM 138 CA ILE A 12 1.692 -1.481 3.219 1.00 0.00 C ATOM 139 C ILE A 12 2.386 -2.831 3.369 1.00 0.00 C ATOM 140 O ILE A 12 1.814 -3.779 3.909 1.00 0.00 O ATOM 141 CB ILE A 12 1.086 -1.382 1.807 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.339 -0.057 1.640 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.156 -2.558 1.546 1.00 0.00 C ATOM 144 CD1 ILE A 12 0.008 0.273 0.202 1.00 0.00 C ATOM 0 H ILE A 12 2.775 0.232 2.684 1.00 0.00 H new ATOM 0 HA ILE A 12 0.892 -1.403 3.955 1.00 0.00 H new ATOM 0 HB ILE A 12 1.895 -1.415 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.585 -0.095 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.944 0.747 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.265 -2.474 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.716 -3.490 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.650 -2.554 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.521 1.225 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.929 0.343 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.623 -0.511 -0.215 1.00 0.00 H new ATOM 156 N LEU A 13 3.622 -2.911 2.889 1.00 0.00 N ATOM 157 CA LEU A 13 4.396 -4.145 2.971 1.00 0.00 C ATOM 158 C LEU A 13 5.001 -4.317 4.361 1.00 0.00 C ATOM 159 O LEU A 13 5.107 -5.433 4.869 1.00 0.00 O ATOM 160 CB LEU A 13 5.504 -4.146 1.916 1.00 0.00 C ATOM 161 CG LEU A 13 5.077 -4.511 0.494 1.00 0.00 C ATOM 162 CD1 LEU A 13 6.230 -4.309 -0.477 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.577 -5.946 0.439 1.00 0.00 C ATOM 0 H LEU A 13 4.110 -2.136 2.439 1.00 0.00 H new ATOM 0 HA LEU A 13 3.722 -4.981 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.958 -3.155 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.278 -4.845 2.232 1.00 0.00 H new ATOM 0 HG LEU A 13 4.260 -3.852 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.908 -4.574 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.543 -3.265 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.067 -4.943 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.277 -6.188 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.373 -6.621 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.722 -6.059 1.105 1.00 0.00 H new ATOM 175 N GLY A 14 5.394 -3.204 4.972 1.00 0.00 N ATOM 176 CA GLY A 14 5.980 -3.253 6.298 1.00 0.00 C ATOM 177 C GLY A 14 7.495 -3.219 6.263 1.00 0.00 C ATOM 178 O GLY A 14 8.157 -3.924 7.026 1.00 0.00 O ATOM 0 H GLY A 14 5.317 -2.269 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.614 -2.411 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.651 -4.161 6.804 1.00 0.00 H new ATOM 182 N VAL A 15 8.047 -2.399 5.375 1.00 0.00 N ATOM 183 CA VAL A 15 9.494 -2.277 5.243 1.00 0.00 C ATOM 184 C VAL A 15 9.934 -0.821 5.346 1.00 0.00 C ATOM 185 O VAL A 15 9.205 0.102 4.980 1.00 0.00 O ATOM 186 CB VAL A 15 9.987 -2.857 3.904 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.810 -4.367 3.879 1.00 0.00 C ATOM 188 CG2 VAL A 15 9.254 -2.207 2.740 1.00 0.00 C ATOM 0 H VAL A 15 7.514 -1.809 4.736 1.00 0.00 H new ATOM 0 HA VAL A 15 9.935 -2.846 6.061 1.00 0.00 H new ATOM 0 HB VAL A 15 11.050 -2.638 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.164 -4.759 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.384 -4.814 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.755 -4.612 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.615 -2.629 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.184 -2.393 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.437 -1.133 2.749 1.00 0.00 H new ATOM 198 N PRO A 16 11.156 -0.606 5.855 1.00 0.00 N ATOM 199 CA PRO A 16 11.722 0.736 6.017 1.00 0.00 C ATOM 200 C PRO A 16 12.058 1.389 4.681 1.00 0.00 C ATOM 201 O PRO A 16 12.496 0.719 3.745 1.00 0.00 O ATOM 202 CB PRO A 16 12.998 0.488 6.827 1.00 0.00 C ATOM 203 CG PRO A 16 13.374 -0.920 6.519 1.00 0.00 C ATOM 204 CD PRO A 16 12.080 -1.658 6.312 1.00 0.00 C ATOM 0 HA PRO A 16 11.021 1.418 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.789 1.181 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.823 0.627 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.999 -0.971 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.947 -1.359 7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.184 -2.451 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.732 -2.126 7.233 1.00 0.00 H new ATOM 212 N ARG A 17 11.851 2.699 4.599 1.00 0.00 N ATOM 213 CA ARG A 17 12.131 3.442 3.376 1.00 0.00 C ATOM 214 C ARG A 17 13.441 2.977 2.746 1.00 0.00 C ATOM 215 O ARG A 17 13.563 2.912 1.523 1.00 0.00 O ATOM 216 CB ARG A 17 12.199 4.942 3.669 1.00 0.00 C ATOM 217 CG ARG A 17 10.841 5.573 3.930 1.00 0.00 C ATOM 218 CD ARG A 17 10.339 5.258 5.330 1.00 0.00 C ATOM 219 NE ARG A 17 9.318 6.204 5.772 1.00 0.00 N ATOM 220 CZ ARG A 17 8.676 6.106 6.931 1.00 0.00 C ATOM 221 NH1 ARG A 17 8.950 5.109 7.761 1.00 0.00 N ATOM 222 NH2 ARG A 17 7.759 7.006 7.261 1.00 0.00 N ATOM 0 H ARG A 17 11.490 3.268 5.365 1.00 0.00 H new ATOM 0 HA ARG A 17 11.321 3.252 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.839 5.106 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.669 5.448 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.910 6.653 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.123 5.210 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.930 4.248 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.176 5.276 6.028 1.00 0.00 H new ATOM 0 HE ARG A 17 9.085 6.983 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.655 4.416 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.456 5.035 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.546 7.774 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.267 6.930 8.151 1.00 0.00 H new ATOM 236 N ASN A 18 14.416 2.655 3.589 1.00 0.00 N ATOM 237 CA ASN A 18 15.717 2.197 3.114 1.00 0.00 C ATOM 238 C ASN A 18 15.796 0.673 3.129 1.00 0.00 C ATOM 239 O ASN A 18 16.820 0.098 3.496 1.00 0.00 O ATOM 240 CB ASN A 18 16.834 2.785 3.978 1.00 0.00 C ATOM 241 CG ASN A 18 16.497 2.760 5.456 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.538 1.709 6.096 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.160 3.921 6.006 1.00 0.00 N ATOM 0 H ASN A 18 14.330 2.703 4.604 1.00 0.00 H new ATOM 0 HA ASN A 18 15.842 2.540 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.754 2.225 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.025 3.813 3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.922 3.966 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.139 4.768 5.438 1.00 0.00 H new ATOM 250 N ALA A 19 14.707 0.026 2.727 1.00 0.00 N ATOM 251 CA ALA A 19 14.653 -1.430 2.692 1.00 0.00 C ATOM 252 C ALA A 19 15.542 -1.986 1.585 1.00 0.00 C ATOM 253 O ALA A 19 16.120 -1.231 0.802 1.00 0.00 O ATOM 254 CB ALA A 19 13.218 -1.901 2.506 1.00 0.00 C ATOM 0 H ALA A 19 13.850 0.487 2.421 1.00 0.00 H new ATOM 0 HA ALA A 19 15.026 -1.806 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.193 -2.990 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.607 -1.542 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.825 -1.508 1.568 1.00 0.00 H new ATOM 260 N SER A 20 15.648 -3.309 1.525 1.00 0.00 N ATOM 261 CA SER A 20 16.471 -3.965 0.515 1.00 0.00 C ATOM 262 C SER A 20 15.618 -4.850 -0.390 1.00 0.00 C ATOM 263 O SER A 20 14.646 -5.457 0.057 1.00 0.00 O ATOM 264 CB SER A 20 17.564 -4.803 1.183 1.00 0.00 C ATOM 265 OG SER A 20 18.422 -5.384 0.217 1.00 0.00 O ATOM 0 H SER A 20 15.175 -3.948 2.164 1.00 0.00 H new ATOM 0 HA SER A 20 16.937 -3.192 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.145 -4.176 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.108 -5.587 1.787 1.00 0.00 H new ATOM 0 HG SER A 20 19.113 -5.913 0.669 1.00 0.00 H new ATOM 271 N GLN A 21 15.992 -4.916 -1.664 1.00 0.00 N ATOM 272 CA GLN A 21 15.261 -5.725 -2.632 1.00 0.00 C ATOM 273 C GLN A 21 14.727 -6.998 -1.985 1.00 0.00 C ATOM 274 O GLN A 21 13.557 -7.345 -2.145 1.00 0.00 O ATOM 275 CB GLN A 21 16.163 -6.080 -3.815 1.00 0.00 C ATOM 276 CG GLN A 21 15.410 -6.253 -5.124 1.00 0.00 C ATOM 277 CD GLN A 21 14.844 -4.949 -5.650 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.483 -4.256 -6.442 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.638 -4.607 -5.210 1.00 0.00 N ATOM 0 H GLN A 21 16.796 -4.420 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 21 14.415 -5.140 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.912 -5.298 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.699 -7.002 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.080 -6.681 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.597 -6.965 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.144 -5.212 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.206 -3.740 -5.529 1.00 0.00 H new ATOM 288 N LYS A 22 15.593 -7.693 -1.254 1.00 0.00 N ATOM 289 CA LYS A 22 15.209 -8.928 -0.581 1.00 0.00 C ATOM 290 C LYS A 22 14.049 -8.686 0.380 1.00 0.00 C ATOM 291 O LYS A 22 12.984 -9.288 0.244 1.00 0.00 O ATOM 292 CB LYS A 22 16.402 -9.511 0.179 1.00 0.00 C ATOM 293 CG LYS A 22 17.452 -10.135 -0.723 1.00 0.00 C ATOM 294 CD LYS A 22 18.456 -10.952 0.072 1.00 0.00 C ATOM 295 CE LYS A 22 19.629 -10.100 0.532 1.00 0.00 C ATOM 296 NZ LYS A 22 20.789 -10.934 0.954 1.00 0.00 N ATOM 0 H LYS A 22 16.566 -7.421 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 22 14.886 -9.641 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.866 -8.722 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.043 -10.265 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.966 -10.773 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.973 -9.351 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.963 -11.393 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.822 -11.776 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.934 -9.436 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 22 19.315 -9.468 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.568 -10.316 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.505 -11.550 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.105 -11.519 0.154 1.00 0.00 H new ATOM 310 N GLU A 23 14.264 -7.802 1.349 1.00 0.00 N ATOM 311 CA GLU A 23 13.235 -7.482 2.331 1.00 0.00 C ATOM 312 C GLU A 23 11.892 -7.231 1.651 1.00 0.00 C ATOM 313 O GLU A 23 10.846 -7.655 2.144 1.00 0.00 O ATOM 314 CB GLU A 23 13.642 -6.253 3.148 1.00 0.00 C ATOM 315 CG GLU A 23 14.912 -6.455 3.958 1.00 0.00 C ATOM 316 CD GLU A 23 14.664 -7.201 5.255 1.00 0.00 C ATOM 317 OE1 GLU A 23 14.133 -6.585 6.202 1.00 0.00 O ATOM 318 OE2 GLU A 23 15.001 -8.402 5.321 1.00 0.00 O ATOM 0 H GLU A 23 15.140 -7.295 1.475 1.00 0.00 H new ATOM 0 HA GLU A 23 13.130 -8.336 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.782 -5.408 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.828 -5.990 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.637 -7.006 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.355 -5.484 4.180 1.00 0.00 H new ATOM 325 N ILE A 24 11.930 -6.540 0.517 1.00 0.00 N ATOM 326 CA ILE A 24 10.717 -6.233 -0.231 1.00 0.00 C ATOM 327 C ILE A 24 10.008 -7.508 -0.674 1.00 0.00 C ATOM 328 O ILE A 24 8.812 -7.681 -0.435 1.00 0.00 O ATOM 329 CB ILE A 24 11.023 -5.372 -1.471 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.586 -4.013 -1.049 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.769 -5.193 -2.314 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.409 -3.339 -2.125 1.00 0.00 C ATOM 0 H ILE A 24 12.787 -6.182 0.096 1.00 0.00 H new ATOM 0 HA ILE A 24 10.066 -5.672 0.439 1.00 0.00 H new ATOM 0 HB ILE A 24 11.773 -5.884 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.761 -3.358 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.203 -4.145 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.001 -4.582 -3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.407 -6.168 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.999 -4.700 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.776 -2.381 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.255 -3.974 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.790 -3.175 -3.007 1.00 0.00 H new ATOM 344 N LYS A 25 10.752 -8.399 -1.319 1.00 0.00 N ATOM 345 CA LYS A 25 10.197 -9.661 -1.794 1.00 0.00 C ATOM 346 C LYS A 25 9.688 -10.504 -0.629 1.00 0.00 C ATOM 347 O LYS A 25 8.515 -10.875 -0.583 1.00 0.00 O ATOM 348 CB LYS A 25 11.251 -10.443 -2.581 1.00 0.00 C ATOM 349 CG LYS A 25 10.715 -11.710 -3.223 1.00 0.00 C ATOM 350 CD LYS A 25 11.818 -12.732 -3.446 1.00 0.00 C ATOM 351 CE LYS A 25 12.558 -12.477 -4.750 1.00 0.00 C ATOM 352 NZ LYS A 25 13.602 -11.426 -4.599 1.00 0.00 N ATOM 0 H LYS A 25 11.743 -8.271 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 25 9.357 -9.435 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.664 -9.799 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.072 -10.704 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.941 -12.141 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.246 -11.466 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.522 -12.697 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.390 -13.734 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.021 -13.403 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.846 -12.174 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.348 -11.573 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.173 -10.488 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.016 -11.482 -3.646 1.00 0.00 H new ATOM 366 N LYS A 26 10.577 -10.802 0.312 1.00 0.00 N ATOM 367 CA LYS A 26 10.219 -11.599 1.480 1.00 0.00 C ATOM 368 C LYS A 26 8.911 -11.108 2.092 1.00 0.00 C ATOM 369 O LYS A 26 7.991 -11.892 2.324 1.00 0.00 O ATOM 370 CB LYS A 26 11.337 -11.542 2.524 1.00 0.00 C ATOM 371 CG LYS A 26 11.412 -12.780 3.401 1.00 0.00 C ATOM 372 CD LYS A 26 12.167 -13.906 2.713 1.00 0.00 C ATOM 373 CE LYS A 26 13.655 -13.848 3.020 1.00 0.00 C ATOM 374 NZ LYS A 26 13.959 -14.348 4.389 1.00 0.00 N ATOM 0 H LYS A 26 11.552 -10.503 0.289 1.00 0.00 H new ATOM 0 HA LYS A 26 10.084 -12.632 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.292 -11.409 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.188 -10.667 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.905 -12.532 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.404 -13.114 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.765 -14.866 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.014 -13.843 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.200 -14.442 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.006 -12.821 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.811 -13.874 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.157 -14.145 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.122 -15.375 4.355 1.00 0.00 H new ATOM 388 N ALA A 27 8.836 -9.807 2.351 1.00 0.00 N ATOM 389 CA ALA A 27 7.639 -9.212 2.933 1.00 0.00 C ATOM 390 C ALA A 27 6.414 -9.484 2.067 1.00 0.00 C ATOM 391 O ALA A 27 5.405 -10.002 2.547 1.00 0.00 O ATOM 392 CB ALA A 27 7.832 -7.715 3.122 1.00 0.00 C ATOM 0 H ALA A 27 9.590 -9.145 2.167 1.00 0.00 H new ATOM 0 HA ALA A 27 7.472 -9.672 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.930 -7.284 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.677 -7.538 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.027 -7.249 2.156 1.00 0.00 H new ATOM 398 N TYR A 28 6.507 -9.131 0.790 1.00 0.00 N ATOM 399 CA TYR A 28 5.405 -9.334 -0.142 1.00 0.00 C ATOM 400 C TYR A 28 4.840 -10.746 -0.018 1.00 0.00 C ATOM 401 O TYR A 28 3.625 -10.940 0.031 1.00 0.00 O ATOM 402 CB TYR A 28 5.870 -9.083 -1.577 1.00 0.00 C ATOM 403 CG TYR A 28 4.895 -9.573 -2.624 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.710 -8.891 -2.871 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.160 -10.717 -3.367 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.816 -9.336 -3.826 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.273 -11.168 -4.325 1.00 0.00 C ATOM 408 CZ TYR A 28 3.102 -10.474 -4.550 1.00 0.00 C ATOM 409 OH TYR A 28 2.215 -10.919 -5.503 1.00 0.00 O ATOM 0 H TYR A 28 7.335 -8.702 0.376 1.00 0.00 H new ATOM 0 HA TYR A 28 4.617 -8.623 0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.032 -8.014 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.831 -9.574 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.484 -7.998 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.075 -11.263 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.898 -8.795 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.495 -12.058 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 28 2.567 -11.732 -5.923 1.00 0.00 H new ATOM 419 N TYR A 29 5.732 -11.730 0.033 1.00 0.00 N ATOM 420 CA TYR A 29 5.324 -13.125 0.149 1.00 0.00 C ATOM 421 C TYR A 29 4.632 -13.381 1.484 1.00 0.00 C ATOM 422 O TYR A 29 3.632 -14.095 1.550 1.00 0.00 O ATOM 423 CB TYR A 29 6.537 -14.046 0.006 1.00 0.00 C ATOM 424 CG TYR A 29 6.860 -14.404 -1.427 1.00 0.00 C ATOM 425 CD1 TYR A 29 7.418 -13.469 -2.289 1.00 0.00 C ATOM 426 CD2 TYR A 29 6.608 -15.679 -1.918 1.00 0.00 C ATOM 427 CE1 TYR A 29 7.713 -13.791 -3.599 1.00 0.00 C ATOM 428 CE2 TYR A 29 6.902 -16.011 -3.227 1.00 0.00 C ATOM 429 CZ TYR A 29 7.454 -15.064 -4.063 1.00 0.00 C ATOM 430 OH TYR A 29 7.748 -15.390 -5.367 1.00 0.00 O ATOM 0 H TYR A 29 6.741 -11.587 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 29 4.617 -13.338 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.405 -13.563 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.356 -14.962 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.625 -12.472 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.175 -16.423 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.144 -13.050 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.700 -17.007 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 29 7.506 -16.325 -5.533 1.00 0.00 H new ATOM 440 N GLN A 30 5.173 -12.792 2.546 1.00 0.00 N ATOM 441 CA GLN A 30 4.607 -12.956 3.880 1.00 0.00 C ATOM 442 C GLN A 30 3.155 -12.491 3.917 1.00 0.00 C ATOM 443 O GLN A 30 2.262 -13.243 4.309 1.00 0.00 O ATOM 444 CB GLN A 30 5.432 -12.176 4.906 1.00 0.00 C ATOM 445 CG GLN A 30 6.595 -12.967 5.481 1.00 0.00 C ATOM 446 CD GLN A 30 6.149 -14.238 6.177 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.023 -15.291 5.551 1.00 0.00 O ATOM 448 NE2 GLN A 30 5.906 -14.146 7.479 1.00 0.00 N ATOM 0 H GLN A 30 6.001 -12.198 2.509 1.00 0.00 H new ATOM 0 HA GLN A 30 4.635 -14.016 4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.816 -11.270 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.780 -11.861 5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.289 -13.221 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.140 -12.342 6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.023 -13.253 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.602 -14.968 8.000 1.00 0.00 H new ATOM 457 N LEU A 31 2.927 -11.248 3.508 1.00 0.00 N ATOM 458 CA LEU A 31 1.583 -10.682 3.494 1.00 0.00 C ATOM 459 C LEU A 31 0.726 -11.339 2.416 1.00 0.00 C ATOM 460 O LEU A 31 -0.369 -11.828 2.692 1.00 0.00 O ATOM 461 CB LEU A 31 1.646 -9.172 3.261 1.00 0.00 C ATOM 462 CG LEU A 31 2.116 -8.329 4.448 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.417 -6.905 4.005 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.070 -8.336 5.553 1.00 0.00 C ATOM 0 H LEU A 31 3.655 -10.613 3.182 1.00 0.00 H new ATOM 0 HA LEU A 31 1.125 -10.875 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.312 -8.982 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.654 -8.828 2.967 1.00 0.00 H new ATOM 0 HG LEU A 31 3.034 -8.767 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.750 -6.320 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.201 -6.918 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.516 -6.456 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.421 -7.732 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.136 -7.922 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.903 -9.359 5.889 1.00 0.00 H new ATOM 476 N ALA A 32 1.234 -11.348 1.188 1.00 0.00 N ATOM 477 CA ALA A 32 0.518 -11.948 0.069 1.00 0.00 C ATOM 478 C ALA A 32 -0.117 -13.275 0.472 1.00 0.00 C ATOM 479 O ALA A 32 -1.248 -13.576 0.090 1.00 0.00 O ATOM 480 CB ALA A 32 1.456 -12.146 -1.112 1.00 0.00 C ATOM 0 H ALA A 32 2.139 -10.946 0.943 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.281 -11.268 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.908 -12.595 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.858 -11.182 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.275 -12.804 -0.820 1.00 0.00 H new ATOM 486 N LYS A 33 0.618 -14.066 1.246 1.00 0.00 N ATOM 487 CA LYS A 33 0.128 -15.361 1.702 1.00 0.00 C ATOM 488 C LYS A 33 -0.957 -15.190 2.761 1.00 0.00 C ATOM 489 O LYS A 33 -1.941 -15.930 2.781 1.00 0.00 O ATOM 490 CB LYS A 33 1.280 -16.195 2.267 1.00 0.00 C ATOM 491 CG LYS A 33 0.829 -17.287 3.222 1.00 0.00 C ATOM 492 CD LYS A 33 1.800 -18.456 3.231 1.00 0.00 C ATOM 493 CE LYS A 33 1.109 -19.752 3.627 1.00 0.00 C ATOM 494 NZ LYS A 33 2.024 -20.922 3.527 1.00 0.00 N ATOM 0 H LYS A 33 1.556 -13.832 1.571 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.303 -15.880 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.828 -16.649 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.975 -15.535 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.741 -16.878 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.162 -17.638 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.246 -18.568 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.614 -18.249 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.737 -19.668 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.243 -19.913 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.515 -21.785 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.359 -21.018 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.838 -20.781 4.159 1.00 0.00 H new ATOM 508 N LYS A 34 -0.772 -14.210 3.638 1.00 0.00 N ATOM 509 CA LYS A 34 -1.735 -13.940 4.698 1.00 0.00 C ATOM 510 C LYS A 34 -3.086 -13.537 4.116 1.00 0.00 C ATOM 511 O LYS A 34 -4.133 -13.988 4.582 1.00 0.00 O ATOM 512 CB LYS A 34 -1.215 -12.833 5.619 1.00 0.00 C ATOM 513 CG LYS A 34 -2.240 -12.353 6.632 1.00 0.00 C ATOM 514 CD LYS A 34 -1.896 -10.970 7.160 1.00 0.00 C ATOM 515 CE LYS A 34 -1.006 -11.049 8.391 1.00 0.00 C ATOM 516 NZ LYS A 34 -0.574 -9.701 8.851 1.00 0.00 N ATOM 0 H LYS A 34 0.037 -13.589 3.636 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.866 -14.854 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.335 -13.197 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.894 -11.987 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.227 -12.332 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.291 -13.058 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.392 -10.397 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.813 -10.435 7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.543 -11.552 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.128 -11.654 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.031 -9.798 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.040 -9.230 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.411 -9.131 9.090 1.00 0.00 H new ATOM 530 N TYR A 35 -3.056 -12.688 3.095 1.00 0.00 N ATOM 531 CA TYR A 35 -4.278 -12.225 2.449 1.00 0.00 C ATOM 532 C TYR A 35 -4.440 -12.858 1.070 1.00 0.00 C ATOM 533 O TYR A 35 -4.912 -12.217 0.131 1.00 0.00 O ATOM 534 CB TYR A 35 -4.268 -10.701 2.324 1.00 0.00 C ATOM 535 CG TYR A 35 -4.124 -9.985 3.649 1.00 0.00 C ATOM 536 CD1 TYR A 35 -5.127 -10.052 4.608 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.987 -9.243 3.940 1.00 0.00 C ATOM 538 CE1 TYR A 35 -5.001 -9.400 5.820 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.852 -8.588 5.149 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.862 -8.670 6.086 1.00 0.00 C ATOM 541 OH TYR A 35 -3.732 -8.019 7.291 1.00 0.00 O ATOM 0 H TYR A 35 -2.198 -12.306 2.697 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.122 -12.527 3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.449 -10.404 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.192 -10.378 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.020 -10.623 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.195 -9.177 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.790 -9.462 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.961 -8.015 5.360 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.871 -7.552 7.319 1.00 0.00 H new ATOM 551 N HIS A 36 -4.045 -14.122 0.957 1.00 0.00 N ATOM 552 CA HIS A 36 -4.147 -14.845 -0.306 1.00 0.00 C ATOM 553 C HIS A 36 -5.592 -14.884 -0.794 1.00 0.00 C ATOM 554 O HIS A 36 -6.531 -15.050 -0.016 1.00 0.00 O ATOM 555 CB HIS A 36 -3.610 -16.268 -0.148 1.00 0.00 C ATOM 556 CG HIS A 36 -3.063 -16.845 -1.417 1.00 0.00 C ATOM 557 ND1 HIS A 36 -3.765 -17.733 -2.205 1.00 0.00 N ATOM 558 CD2 HIS A 36 -1.873 -16.656 -2.035 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.031 -18.066 -3.252 1.00 0.00 C ATOM 560 NE2 HIS A 36 -1.878 -17.426 -3.172 1.00 0.00 N ATOM 0 H HIS A 36 -3.651 -14.667 1.724 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.546 -14.319 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.827 -16.270 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.410 -16.911 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.070 -16.018 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.324 -18.745 -4.039 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.115 -17.493 -3.846 1.00 0.00 H new ATOM 568 N PRO A 37 -5.776 -14.728 -2.114 1.00 0.00 N ATOM 569 CA PRO A 37 -7.103 -14.742 -2.735 1.00 0.00 C ATOM 570 C PRO A 37 -7.740 -16.128 -2.711 1.00 0.00 C ATOM 571 O PRO A 37 -8.937 -16.276 -2.961 1.00 0.00 O ATOM 572 CB PRO A 37 -6.825 -14.307 -4.176 1.00 0.00 C ATOM 573 CG PRO A 37 -5.406 -14.688 -4.420 1.00 0.00 C ATOM 574 CD PRO A 37 -4.702 -14.527 -3.101 1.00 0.00 C ATOM 0 HA PRO A 37 -7.806 -14.097 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.495 -14.806 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.974 -13.235 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.334 -15.715 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.957 -14.052 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.903 -15.259 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.248 -13.541 -3.006 1.00 0.00 H new ATOM 582 N ASP A 38 -6.934 -17.139 -2.408 1.00 0.00 N ATOM 583 CA ASP A 38 -7.419 -18.513 -2.350 1.00 0.00 C ATOM 584 C ASP A 38 -8.201 -18.759 -1.063 1.00 0.00 C ATOM 585 O ASP A 38 -9.225 -19.442 -1.066 1.00 0.00 O ATOM 586 CB ASP A 38 -6.250 -19.494 -2.447 1.00 0.00 C ATOM 587 CG ASP A 38 -6.683 -20.932 -2.240 1.00 0.00 C ATOM 588 OD1 ASP A 38 -7.750 -21.313 -2.765 1.00 0.00 O ATOM 589 OD2 ASP A 38 -5.953 -21.678 -1.554 1.00 0.00 O ATOM 0 H ASP A 38 -5.941 -17.033 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.087 -18.672 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.778 -19.397 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.498 -19.233 -1.703 1.00 0.00 H new ATOM 594 N THR A 39 -7.710 -18.198 0.038 1.00 0.00 N ATOM 595 CA THR A 39 -8.361 -18.358 1.332 1.00 0.00 C ATOM 596 C THR A 39 -9.552 -17.417 1.469 1.00 0.00 C ATOM 597 O THR A 39 -10.545 -17.748 2.116 1.00 0.00 O ATOM 598 CB THR A 39 -7.379 -18.096 2.490 1.00 0.00 C ATOM 599 OG1 THR A 39 -6.694 -16.856 2.281 1.00 0.00 O ATOM 600 CG2 THR A 39 -6.368 -19.226 2.609 1.00 0.00 C ATOM 0 H THR A 39 -6.864 -17.629 0.059 1.00 0.00 H new ATOM 0 HA THR A 39 -8.709 -19.390 1.385 1.00 0.00 H new ATOM 0 HB THR A 39 -7.951 -18.043 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.073 -16.696 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.686 -19.018 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.891 -20.164 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.802 -19.307 1.681 1.00 0.00 H new ATOM 608 N ASN A 40 -9.448 -16.244 0.853 1.00 0.00 N ATOM 609 CA ASN A 40 -10.519 -15.255 0.906 1.00 0.00 C ATOM 610 C ASN A 40 -11.463 -15.411 -0.282 1.00 0.00 C ATOM 611 O ASN A 40 -11.576 -14.517 -1.121 1.00 0.00 O ATOM 612 CB ASN A 40 -9.935 -13.841 0.925 1.00 0.00 C ATOM 613 CG ASN A 40 -9.694 -13.334 2.334 1.00 0.00 C ATOM 614 OD1 ASN A 40 -10.566 -12.711 2.939 1.00 0.00 O ATOM 615 ND2 ASN A 40 -8.505 -13.599 2.863 1.00 0.00 N ATOM 0 H ASN A 40 -8.633 -15.955 0.311 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.086 -15.419 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.995 -13.831 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.615 -13.163 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.285 -13.283 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.812 -14.119 2.325 1.00 0.00 H new ATOM 622 N LYS A 41 -12.139 -16.553 -0.347 1.00 0.00 N ATOM 623 CA LYS A 41 -13.076 -16.827 -1.431 1.00 0.00 C ATOM 624 C LYS A 41 -14.050 -15.668 -1.615 1.00 0.00 C ATOM 625 O LYS A 41 -15.137 -15.660 -1.037 1.00 0.00 O ATOM 626 CB LYS A 41 -13.849 -18.117 -1.149 1.00 0.00 C ATOM 627 CG LYS A 41 -12.968 -19.352 -1.078 1.00 0.00 C ATOM 628 CD LYS A 41 -12.549 -19.819 -2.462 1.00 0.00 C ATOM 629 CE LYS A 41 -13.543 -20.816 -3.038 1.00 0.00 C ATOM 630 NZ LYS A 41 -14.803 -20.154 -3.475 1.00 0.00 N ATOM 0 H LYS A 41 -12.056 -17.304 0.338 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.504 -16.946 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.386 -18.010 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.598 -18.260 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.081 -19.134 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.504 -20.153 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.467 -18.960 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.561 -20.277 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.091 -21.331 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.772 -21.574 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.251 -20.720 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.452 -20.075 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.588 -19.204 -3.840 1.00 0.00 H new ATOM 644 N ASP A 42 -13.653 -14.692 -2.424 1.00 0.00 N ATOM 645 CA ASP A 42 -14.493 -13.528 -2.686 1.00 0.00 C ATOM 646 C ASP A 42 -14.640 -12.671 -1.433 1.00 0.00 C ATOM 647 O ASP A 42 -15.754 -12.384 -0.993 1.00 0.00 O ATOM 648 CB ASP A 42 -15.870 -13.969 -3.184 1.00 0.00 C ATOM 649 CG ASP A 42 -15.785 -14.902 -4.375 1.00 0.00 C ATOM 650 OD1 ASP A 42 -15.294 -14.464 -5.437 1.00 0.00 O ATOM 651 OD2 ASP A 42 -16.210 -16.069 -4.247 1.00 0.00 O ATOM 0 H ASP A 42 -12.756 -14.683 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 42 -14.011 -12.929 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.403 -14.467 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.453 -13.089 -3.457 1.00 0.00 H new ATOM 656 N ASP A 43 -13.511 -12.266 -0.863 1.00 0.00 N ATOM 657 CA ASP A 43 -13.514 -11.442 0.340 1.00 0.00 C ATOM 658 C ASP A 43 -13.178 -9.992 0.006 1.00 0.00 C ATOM 659 O ASP A 43 -12.282 -9.704 -0.789 1.00 0.00 O ATOM 660 CB ASP A 43 -12.515 -11.988 1.361 1.00 0.00 C ATOM 661 CG ASP A 43 -12.913 -11.668 2.788 1.00 0.00 C ATOM 662 OD1 ASP A 43 -13.815 -12.350 3.320 1.00 0.00 O ATOM 663 OD2 ASP A 43 -12.324 -10.735 3.374 1.00 0.00 O ATOM 0 H ASP A 43 -12.581 -12.495 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.515 -11.474 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.433 -13.069 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.529 -11.570 1.159 1.00 0.00 H new ATOM 668 N PRO A 44 -13.912 -9.056 0.625 1.00 0.00 N ATOM 669 CA PRO A 44 -13.710 -7.620 0.408 1.00 0.00 C ATOM 670 C PRO A 44 -12.397 -7.123 1.003 1.00 0.00 C ATOM 671 O PRO A 44 -11.634 -6.414 0.346 1.00 0.00 O ATOM 672 CB PRO A 44 -14.899 -6.982 1.130 1.00 0.00 C ATOM 673 CG PRO A 44 -15.287 -7.974 2.172 1.00 0.00 C ATOM 674 CD PRO A 44 -14.996 -9.327 1.584 1.00 0.00 C ATOM 0 HA PRO A 44 -13.654 -7.372 -0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.625 -6.026 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.722 -6.788 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.721 -7.817 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.342 -7.878 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.687 -10.040 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.872 -9.748 1.091 1.00 0.00 H new ATOM 682 N LYS A 45 -12.138 -7.500 2.251 1.00 0.00 N ATOM 683 CA LYS A 45 -10.916 -7.095 2.935 1.00 0.00 C ATOM 684 C LYS A 45 -9.683 -7.569 2.172 1.00 0.00 C ATOM 685 O LYS A 45 -8.681 -6.858 2.089 1.00 0.00 O ATOM 686 CB LYS A 45 -10.894 -7.655 4.359 1.00 0.00 C ATOM 687 CG LYS A 45 -11.779 -6.889 5.327 1.00 0.00 C ATOM 688 CD LYS A 45 -11.051 -5.697 5.924 1.00 0.00 C ATOM 689 CE LYS A 45 -10.278 -6.085 7.176 1.00 0.00 C ATOM 690 NZ LYS A 45 -9.411 -4.975 7.659 1.00 0.00 N ATOM 0 H LYS A 45 -12.759 -8.086 2.809 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.898 -6.006 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.212 -8.697 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.869 -7.643 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.675 -6.547 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.107 -7.554 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.365 -5.281 5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.770 -4.915 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.978 -6.367 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.664 -6.961 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.901 -5.279 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.726 -4.722 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.999 -4.147 7.883 1.00 0.00 H new ATOM 704 N ALA A 46 -9.763 -8.773 1.616 1.00 0.00 N ATOM 705 CA ALA A 46 -8.655 -9.340 0.857 1.00 0.00 C ATOM 706 C ALA A 46 -8.561 -8.712 -0.529 1.00 0.00 C ATOM 707 O ALA A 46 -7.490 -8.278 -0.955 1.00 0.00 O ATOM 708 CB ALA A 46 -8.809 -10.849 0.746 1.00 0.00 C ATOM 0 H ALA A 46 -10.584 -9.375 1.677 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.731 -9.119 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.975 -11.259 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.818 -11.288 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.745 -11.083 0.238 1.00 0.00 H new ATOM 714 N LYS A 47 -9.688 -8.667 -1.231 1.00 0.00 N ATOM 715 CA LYS A 47 -9.735 -8.092 -2.570 1.00 0.00 C ATOM 716 C LYS A 47 -8.984 -6.765 -2.618 1.00 0.00 C ATOM 717 O LYS A 47 -8.168 -6.536 -3.510 1.00 0.00 O ATOM 718 CB LYS A 47 -11.186 -7.886 -3.009 1.00 0.00 C ATOM 719 CG LYS A 47 -11.808 -9.115 -3.649 1.00 0.00 C ATOM 720 CD LYS A 47 -13.302 -8.937 -3.862 1.00 0.00 C ATOM 721 CE LYS A 47 -13.592 -8.073 -5.080 1.00 0.00 C ATOM 722 NZ LYS A 47 -15.053 -7.860 -5.273 1.00 0.00 N ATOM 0 H LYS A 47 -10.583 -9.023 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.251 -8.788 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.781 -7.597 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.229 -7.057 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.324 -9.313 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.631 -9.985 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.772 -9.913 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.745 -8.481 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.096 -7.109 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.173 -8.545 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.209 -7.267 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.523 -8.778 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.448 -7.386 -4.436 1.00 0.00 H new ATOM 736 N GLU A 48 -9.267 -5.895 -1.653 1.00 0.00 N ATOM 737 CA GLU A 48 -8.617 -4.591 -1.587 1.00 0.00 C ATOM 738 C GLU A 48 -7.149 -4.734 -1.196 1.00 0.00 C ATOM 739 O GLU A 48 -6.282 -4.042 -1.730 1.00 0.00 O ATOM 740 CB GLU A 48 -9.338 -3.688 -0.583 1.00 0.00 C ATOM 741 CG GLU A 48 -9.264 -2.211 -0.931 1.00 0.00 C ATOM 742 CD GLU A 48 -9.412 -1.317 0.284 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.554 -1.399 1.188 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.386 -0.537 0.332 1.00 0.00 O ATOM 0 H GLU A 48 -9.941 -6.069 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.669 -4.137 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.385 -3.987 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.907 -3.842 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.310 -2.003 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.047 -1.972 -1.651 1.00 0.00 H new ATOM 751 N LYS A 49 -6.877 -5.637 -0.259 1.00 0.00 N ATOM 752 CA LYS A 49 -5.515 -5.872 0.204 1.00 0.00 C ATOM 753 C LYS A 49 -4.644 -6.419 -0.923 1.00 0.00 C ATOM 754 O LYS A 49 -3.711 -5.756 -1.377 1.00 0.00 O ATOM 755 CB LYS A 49 -5.517 -6.850 1.381 1.00 0.00 C ATOM 756 CG LYS A 49 -5.669 -6.175 2.733 1.00 0.00 C ATOM 757 CD LYS A 49 -6.259 -7.121 3.766 1.00 0.00 C ATOM 758 CE LYS A 49 -6.831 -6.362 4.954 1.00 0.00 C ATOM 759 NZ LYS A 49 -5.770 -5.965 5.921 1.00 0.00 N ATOM 0 H LYS A 49 -7.582 -6.218 0.194 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.099 -4.919 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.330 -7.564 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.587 -7.419 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.696 -5.822 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.309 -5.299 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.043 -7.722 3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.489 -7.811 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.351 -5.472 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.570 -6.983 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.208 -5.684 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.130 -6.769 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.229 -5.165 5.534 1.00 0.00 H new ATOM 773 N PHE A 50 -4.955 -7.630 -1.371 1.00 0.00 N ATOM 774 CA PHE A 50 -4.200 -8.265 -2.445 1.00 0.00 C ATOM 775 C PHE A 50 -3.889 -7.266 -3.556 1.00 0.00 C ATOM 776 O PHE A 50 -2.854 -7.356 -4.215 1.00 0.00 O ATOM 777 CB PHE A 50 -4.982 -9.450 -3.015 1.00 0.00 C ATOM 778 CG PHE A 50 -4.106 -10.523 -3.596 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.193 -11.197 -2.801 1.00 0.00 C ATOM 780 CD2 PHE A 50 -4.195 -10.857 -4.938 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.385 -12.184 -3.333 1.00 0.00 C ATOM 782 CE2 PHE A 50 -3.390 -11.844 -5.476 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.485 -12.508 -4.672 1.00 0.00 C ATOM 0 H PHE A 50 -5.725 -8.192 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.259 -8.625 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.597 -9.882 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.661 -9.089 -3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.112 -10.948 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.901 -10.340 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.677 -12.701 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.469 -12.095 -6.523 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.856 -13.280 -5.090 1.00 0.00 H new ATOM 793 N SER A 51 -4.795 -6.313 -3.757 1.00 0.00 N ATOM 794 CA SER A 51 -4.620 -5.299 -4.790 1.00 0.00 C ATOM 795 C SER A 51 -3.479 -4.351 -4.434 1.00 0.00 C ATOM 796 O SER A 51 -2.683 -3.972 -5.292 1.00 0.00 O ATOM 797 CB SER A 51 -5.915 -4.507 -4.980 1.00 0.00 C ATOM 798 OG SER A 51 -5.829 -3.652 -6.107 1.00 0.00 O ATOM 0 H SER A 51 -5.656 -6.223 -3.218 1.00 0.00 H new ATOM 0 HA SER A 51 -4.371 -5.805 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.751 -5.195 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.119 -3.917 -4.086 1.00 0.00 H new ATOM 0 HG SER A 51 -6.669 -3.158 -6.208 1.00 0.00 H new ATOM 804 N GLN A 52 -3.406 -3.974 -3.161 1.00 0.00 N ATOM 805 CA GLN A 52 -2.363 -3.071 -2.691 1.00 0.00 C ATOM 806 C GLN A 52 -1.020 -3.788 -2.605 1.00 0.00 C ATOM 807 O GLN A 52 0.029 -3.199 -2.873 1.00 0.00 O ATOM 808 CB GLN A 52 -2.735 -2.495 -1.324 1.00 0.00 C ATOM 809 CG GLN A 52 -4.077 -1.781 -1.310 1.00 0.00 C ATOM 810 CD GLN A 52 -4.129 -0.655 -0.295 1.00 0.00 C ATOM 811 OE1 GLN A 52 -4.752 -0.782 0.759 1.00 0.00 O ATOM 812 NE2 GLN A 52 -3.471 0.455 -0.609 1.00 0.00 N ATOM 0 H GLN A 52 -4.057 -4.280 -2.438 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.274 -2.256 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.755 -3.302 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.959 -1.798 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.281 -1.380 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.865 -2.501 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.968 0.516 -1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.469 1.246 0.035 1.00 0.00 H new ATOM 821 N LEU A 53 -1.058 -5.062 -2.229 1.00 0.00 N ATOM 822 CA LEU A 53 0.157 -5.860 -2.107 1.00 0.00 C ATOM 823 C LEU A 53 0.789 -6.102 -3.474 1.00 0.00 C ATOM 824 O LEU A 53 1.944 -5.748 -3.707 1.00 0.00 O ATOM 825 CB LEU A 53 -0.154 -7.197 -1.433 1.00 0.00 C ATOM 826 CG LEU A 53 -0.551 -7.128 0.043 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.992 -8.495 0.541 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.604 -6.600 0.881 1.00 0.00 C ATOM 0 H LEU A 53 -1.917 -5.564 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 53 0.866 -5.306 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.961 -7.680 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.722 -7.839 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.390 -6.440 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.271 -8.427 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.849 -8.835 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.173 -9.205 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.304 -6.557 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.463 -7.263 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.874 -5.600 0.540 1.00 0.00 H new ATOM 840 N ALA A 54 0.022 -6.707 -4.376 1.00 0.00 N ATOM 841 CA ALA A 54 0.506 -6.992 -5.721 1.00 0.00 C ATOM 842 C ALA A 54 0.992 -5.722 -6.411 1.00 0.00 C ATOM 843 O ALA A 54 2.047 -5.714 -7.044 1.00 0.00 O ATOM 844 CB ALA A 54 -0.588 -7.657 -6.545 1.00 0.00 C ATOM 0 H ALA A 54 -0.936 -7.009 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 54 1.351 -7.675 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.213 -7.864 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.886 -8.591 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.449 -6.992 -6.610 1.00 0.00 H new ATOM 850 N GLU A 55 0.215 -4.651 -6.284 1.00 0.00 N ATOM 851 CA GLU A 55 0.568 -3.376 -6.897 1.00 0.00 C ATOM 852 C GLU A 55 1.861 -2.825 -6.304 1.00 0.00 C ATOM 853 O GLU A 55 2.730 -2.337 -7.026 1.00 0.00 O ATOM 854 CB GLU A 55 -0.564 -2.363 -6.708 1.00 0.00 C ATOM 855 CG GLU A 55 -0.346 -1.059 -7.457 1.00 0.00 C ATOM 856 CD GLU A 55 -1.647 -0.364 -7.809 1.00 0.00 C ATOM 857 OE1 GLU A 55 -2.571 -1.047 -8.299 1.00 0.00 O ATOM 858 OE2 GLU A 55 -1.740 0.863 -7.595 1.00 0.00 O ATOM 0 H GLU A 55 -0.662 -4.641 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 55 0.721 -3.546 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.500 -2.811 -7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.674 -2.148 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.265 -0.392 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.214 -1.258 -8.371 1.00 0.00 H new ATOM 865 N ALA A 56 1.982 -2.908 -4.983 1.00 0.00 N ATOM 866 CA ALA A 56 3.169 -2.421 -4.292 1.00 0.00 C ATOM 867 C ALA A 56 4.406 -3.211 -4.703 1.00 0.00 C ATOM 868 O ALA A 56 5.408 -2.636 -5.131 1.00 0.00 O ATOM 869 CB ALA A 56 2.969 -2.494 -2.785 1.00 0.00 C ATOM 0 H ALA A 56 1.272 -3.308 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 56 3.324 -1.380 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.863 -2.127 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.115 -1.879 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.786 -3.528 -2.492 1.00 0.00 H new ATOM 875 N TYR A 57 4.332 -4.530 -4.569 1.00 0.00 N ATOM 876 CA TYR A 57 5.448 -5.399 -4.923 1.00 0.00 C ATOM 877 C TYR A 57 5.804 -5.253 -6.399 1.00 0.00 C ATOM 878 O TYR A 57 6.978 -5.242 -6.767 1.00 0.00 O ATOM 879 CB TYR A 57 5.105 -6.857 -4.611 1.00 0.00 C ATOM 880 CG TYR A 57 6.161 -7.838 -5.069 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.416 -7.867 -4.474 1.00 0.00 C ATOM 882 CD2 TYR A 57 5.902 -8.737 -6.096 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.383 -8.761 -4.890 1.00 0.00 C ATOM 884 CE2 TYR A 57 6.863 -9.636 -6.517 1.00 0.00 C ATOM 885 CZ TYR A 57 8.102 -9.644 -5.911 1.00 0.00 C ATOM 886 OH TYR A 57 9.063 -10.537 -6.327 1.00 0.00 O ATOM 0 H TYR A 57 3.510 -5.021 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 57 6.311 -5.101 -4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.962 -6.966 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.157 -7.108 -5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.639 -7.179 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.933 -8.733 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.354 -8.768 -4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.645 -10.329 -7.316 1.00 0.00 H new ATOM 0 HH TYR A 57 8.705 -11.088 -7.054 1.00 0.00 H new ATOM 896 N GLU A 58 4.781 -5.141 -7.240 1.00 0.00 N ATOM 897 CA GLU A 58 4.985 -4.996 -8.677 1.00 0.00 C ATOM 898 C GLU A 58 5.845 -3.774 -8.983 1.00 0.00 C ATOM 899 O GLU A 58 6.707 -3.811 -9.861 1.00 0.00 O ATOM 900 CB GLU A 58 3.640 -4.881 -9.397 1.00 0.00 C ATOM 901 CG GLU A 58 3.746 -5.009 -10.907 1.00 0.00 C ATOM 902 CD GLU A 58 2.390 -5.099 -11.581 1.00 0.00 C ATOM 903 OE1 GLU A 58 1.429 -4.492 -11.063 1.00 0.00 O ATOM 904 OE2 GLU A 58 2.290 -5.777 -12.625 1.00 0.00 O ATOM 0 H GLU A 58 3.803 -5.148 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 58 5.505 -5.884 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.969 -5.654 -9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.188 -3.920 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.289 -4.151 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.329 -5.896 -11.153 1.00 0.00 H new ATOM 911 N VAL A 59 5.604 -2.690 -8.252 1.00 0.00 N ATOM 912 CA VAL A 59 6.356 -1.455 -8.445 1.00 0.00 C ATOM 913 C VAL A 59 7.759 -1.569 -7.859 1.00 0.00 C ATOM 914 O VAL A 59 8.753 -1.491 -8.581 1.00 0.00 O ATOM 915 CB VAL A 59 5.638 -0.255 -7.800 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.529 0.978 -7.827 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.317 0.017 -8.504 1.00 0.00 C ATOM 0 H VAL A 59 4.894 -2.642 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 59 6.427 -1.292 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 59 5.425 -0.498 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.005 1.816 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.446 0.776 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.775 1.227 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.823 0.868 -8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.504 0.239 -9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.676 -0.861 -8.427 1.00 0.00 H new ATOM 927 N LEU A 60 7.832 -1.756 -6.545 1.00 0.00 N ATOM 928 CA LEU A 60 9.114 -1.881 -5.861 1.00 0.00 C ATOM 929 C LEU A 60 10.006 -2.902 -6.559 1.00 0.00 C ATOM 930 O LEU A 60 11.148 -2.606 -6.910 1.00 0.00 O ATOM 931 CB LEU A 60 8.897 -2.289 -4.402 1.00 0.00 C ATOM 932 CG LEU A 60 7.963 -1.395 -3.587 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.563 -2.082 -2.290 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.624 -0.054 -3.300 1.00 0.00 C ATOM 0 H LEU A 60 7.019 -1.824 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 60 9.611 -0.911 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.502 -3.305 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.867 -2.316 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 60 7.061 -1.216 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.898 -1.430 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.049 -3.016 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.455 -2.292 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.945 0.570 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.542 -0.214 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.859 0.444 -4.240 1.00 0.00 H new ATOM 946 N SER A 61 9.476 -4.105 -6.759 1.00 0.00 N ATOM 947 CA SER A 61 10.225 -5.171 -7.415 1.00 0.00 C ATOM 948 C SER A 61 10.780 -4.700 -8.755 1.00 0.00 C ATOM 949 O SER A 61 11.795 -5.208 -9.233 1.00 0.00 O ATOM 950 CB SER A 61 9.334 -6.397 -7.621 1.00 0.00 C ATOM 951 OG SER A 61 8.443 -6.203 -8.706 1.00 0.00 O ATOM 0 H SER A 61 8.531 -4.366 -6.476 1.00 0.00 H new ATOM 0 HA SER A 61 11.061 -5.443 -6.771 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.954 -7.274 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.767 -6.595 -6.712 1.00 0.00 H new ATOM 0 HG SER A 61 7.615 -5.794 -8.380 1.00 0.00 H new ATOM 957 N ASP A 62 10.107 -3.726 -9.357 1.00 0.00 N ATOM 958 CA ASP A 62 10.532 -3.184 -10.643 1.00 0.00 C ATOM 959 C ASP A 62 11.417 -1.957 -10.450 1.00 0.00 C ATOM 960 O ASP A 62 10.924 -0.834 -10.352 1.00 0.00 O ATOM 961 CB ASP A 62 9.315 -2.821 -11.495 1.00 0.00 C ATOM 962 CG ASP A 62 9.591 -2.943 -12.981 1.00 0.00 C ATOM 963 OD1 ASP A 62 9.539 -4.076 -13.503 1.00 0.00 O ATOM 964 OD2 ASP A 62 9.857 -1.905 -13.621 1.00 0.00 O ATOM 0 H ASP A 62 9.265 -3.295 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 62 11.111 -3.950 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.482 -3.471 -11.229 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.008 -1.800 -11.268 1.00 0.00 H new ATOM 969 N GLU A 63 12.726 -2.180 -10.395 1.00 0.00 N ATOM 970 CA GLU A 63 13.679 -1.092 -10.211 1.00 0.00 C ATOM 971 C GLU A 63 13.235 0.154 -10.971 1.00 0.00 C ATOM 972 O GLU A 63 13.297 1.268 -10.451 1.00 0.00 O ATOM 973 CB GLU A 63 15.072 -1.519 -10.679 1.00 0.00 C ATOM 974 CG GLU A 63 15.135 -1.877 -12.155 1.00 0.00 C ATOM 975 CD GLU A 63 16.306 -2.781 -12.487 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.421 -2.256 -12.690 1.00 0.00 O ATOM 977 OE2 GLU A 63 16.108 -4.013 -12.543 1.00 0.00 O ATOM 0 H GLU A 63 13.151 -3.104 -10.475 1.00 0.00 H new ATOM 0 HA GLU A 63 13.718 -0.854 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.777 -0.712 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.396 -2.378 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.207 -2.370 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.208 -0.963 -12.744 1.00 0.00 H new ATOM 984 N VAL A 64 12.788 -0.042 -12.208 1.00 0.00 N ATOM 985 CA VAL A 64 12.333 1.065 -13.041 1.00 0.00 C ATOM 986 C VAL A 64 11.201 1.832 -12.366 1.00 0.00 C ATOM 987 O VAL A 64 11.291 3.043 -12.164 1.00 0.00 O ATOM 988 CB VAL A 64 11.852 0.570 -14.418 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.298 1.726 -15.237 1.00 0.00 C ATOM 990 CG2 VAL A 64 12.985 -0.124 -15.159 1.00 0.00 C ATOM 0 H VAL A 64 12.731 -0.957 -12.655 1.00 0.00 H new ATOM 0 HA VAL A 64 13.187 1.729 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 64 11.051 -0.153 -14.266 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.963 1.357 -16.207 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.457 2.175 -14.709 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.077 2.475 -15.383 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.628 -0.468 -16.130 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.809 0.576 -15.302 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.331 -0.978 -14.577 1.00 0.00 H new ATOM 1000 N LYS A 65 10.136 1.118 -12.017 1.00 0.00 N ATOM 1001 CA LYS A 65 8.986 1.730 -11.362 1.00 0.00 C ATOM 1002 C LYS A 65 9.384 2.340 -10.021 1.00 0.00 C ATOM 1003 O LYS A 65 9.035 3.481 -9.720 1.00 0.00 O ATOM 1004 CB LYS A 65 7.880 0.693 -11.154 1.00 0.00 C ATOM 1005 CG LYS A 65 7.384 0.065 -12.446 1.00 0.00 C ATOM 1006 CD LYS A 65 6.163 -0.806 -12.209 1.00 0.00 C ATOM 1007 CE LYS A 65 5.303 -0.913 -13.459 1.00 0.00 C ATOM 1008 NZ LYS A 65 3.893 -1.267 -13.135 1.00 0.00 N ATOM 0 H LYS A 65 10.045 0.115 -12.177 1.00 0.00 H new ATOM 0 HA LYS A 65 8.613 2.526 -12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.250 -0.093 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.041 1.166 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.139 0.849 -13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.179 -0.534 -12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.480 -1.801 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.571 -0.390 -11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.325 0.035 -13.997 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.723 -1.667 -14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.340 -1.330 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.869 -2.184 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.484 -0.535 -12.520 1.00 0.00 H new ATOM 1022 N ARG A 66 10.117 1.572 -9.222 1.00 0.00 N ATOM 1023 CA ARG A 66 10.562 2.038 -7.914 1.00 0.00 C ATOM 1024 C ARG A 66 11.194 3.423 -8.016 1.00 0.00 C ATOM 1025 O ARG A 66 10.743 4.372 -7.374 1.00 0.00 O ATOM 1026 CB ARG A 66 11.564 1.051 -7.312 1.00 0.00 C ATOM 1027 CG ARG A 66 11.883 1.322 -5.851 1.00 0.00 C ATOM 1028 CD ARG A 66 12.449 0.088 -5.165 1.00 0.00 C ATOM 1029 NE ARG A 66 12.777 0.342 -3.765 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.818 1.068 -3.374 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.628 1.610 -4.274 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.052 1.254 -2.081 1.00 0.00 N ATOM 0 H ARG A 66 10.415 0.625 -9.457 1.00 0.00 H new ATOM 0 HA ARG A 66 9.690 2.103 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.167 0.040 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.488 1.086 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.600 2.140 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.979 1.644 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.725 -0.725 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.344 -0.242 -5.693 1.00 0.00 H new ATOM 0 HE ARG A 66 12.173 -0.060 -3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.452 1.470 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.427 2.167 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.432 0.839 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.852 1.812 -1.783 1.00 0.00 H new ATOM 1046 N LYS A 67 12.242 3.531 -8.826 1.00 0.00 N ATOM 1047 CA LYS A 67 12.937 4.799 -9.013 1.00 0.00 C ATOM 1048 C LYS A 67 11.944 5.937 -9.228 1.00 0.00 C ATOM 1049 O LYS A 67 12.080 7.009 -8.640 1.00 0.00 O ATOM 1050 CB LYS A 67 13.892 4.709 -10.206 1.00 0.00 C ATOM 1051 CG LYS A 67 14.464 6.051 -10.629 1.00 0.00 C ATOM 1052 CD LYS A 67 15.055 5.989 -12.028 1.00 0.00 C ATOM 1053 CE LYS A 67 14.016 6.325 -13.087 1.00 0.00 C ATOM 1054 NZ LYS A 67 14.398 5.799 -14.426 1.00 0.00 N ATOM 0 H LYS A 67 12.629 2.755 -9.364 1.00 0.00 H new ATOM 0 HA LYS A 67 13.511 5.007 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.712 4.037 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.364 4.266 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.680 6.808 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.234 6.359 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.890 6.685 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.454 4.991 -12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.052 5.908 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.892 7.406 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.664 6.049 -15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.305 6.216 -14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.492 4.764 -14.379 1.00 0.00 H new ATOM 1068 N GLN A 68 10.947 5.694 -10.072 1.00 0.00 N ATOM 1069 CA GLN A 68 9.931 6.700 -10.363 1.00 0.00 C ATOM 1070 C GLN A 68 9.070 6.974 -9.134 1.00 0.00 C ATOM 1071 O GLN A 68 8.699 8.117 -8.867 1.00 0.00 O ATOM 1072 CB GLN A 68 9.050 6.243 -11.527 1.00 0.00 C ATOM 1073 CG GLN A 68 9.811 6.056 -12.829 1.00 0.00 C ATOM 1074 CD GLN A 68 9.049 5.218 -13.836 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.391 4.240 -13.476 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.132 5.596 -15.106 1.00 0.00 N ATOM 0 H GLN A 68 10.820 4.811 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 68 10.438 7.624 -10.642 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.568 5.303 -11.259 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.257 6.975 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.026 7.032 -13.263 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.770 5.582 -12.620 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.688 6.412 -15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.639 5.070 -15.828 1.00 0.00 H new ATOM 1085 N TYR A 69 8.755 5.919 -8.391 1.00 0.00 N ATOM 1086 CA TYR A 69 7.935 6.046 -7.193 1.00 0.00 C ATOM 1087 C TYR A 69 8.662 6.847 -6.117 1.00 0.00 C ATOM 1088 O TYR A 69 8.057 7.661 -5.418 1.00 0.00 O ATOM 1089 CB TYR A 69 7.566 4.663 -6.653 1.00 0.00 C ATOM 1090 CG TYR A 69 7.156 4.671 -5.197 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.198 5.562 -4.730 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.726 3.786 -4.290 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.821 5.573 -3.401 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.354 3.789 -2.959 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.402 4.685 -2.520 1.00 0.00 C ATOM 1096 OH TYR A 69 6.028 4.692 -1.195 1.00 0.00 O ATOM 0 H TYR A 69 9.055 4.966 -8.598 1.00 0.00 H new ATOM 0 HA TYR A 69 7.023 6.579 -7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.750 4.255 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.417 3.994 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.740 6.258 -5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.472 3.084 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.075 6.273 -3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.806 3.094 -2.267 1.00 0.00 H new ATOM 0 HH TYR A 69 6.530 4.005 -0.710 1.00 0.00 H new ATOM 1106 N ASP A 70 9.963 6.611 -5.992 1.00 0.00 N ATOM 1107 CA ASP A 70 10.775 7.311 -5.003 1.00 0.00 C ATOM 1108 C ASP A 70 10.589 8.821 -5.118 1.00 0.00 C ATOM 1109 O ASP A 70 10.412 9.513 -4.115 1.00 0.00 O ATOM 1110 CB ASP A 70 12.251 6.953 -5.178 1.00 0.00 C ATOM 1111 CG ASP A 70 13.067 7.231 -3.930 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.616 8.044 -3.096 1.00 0.00 O ATOM 1113 OD2 ASP A 70 14.155 6.635 -3.788 1.00 0.00 O ATOM 0 H ASP A 70 10.478 5.941 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 70 10.448 6.996 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.338 5.898 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.663 7.521 -6.012 1.00 0.00 H new ATOM 1118 N ALA A 71 10.630 9.326 -6.346 1.00 0.00 N ATOM 1119 CA ALA A 71 10.465 10.753 -6.592 1.00 0.00 C ATOM 1120 C ALA A 71 8.989 11.133 -6.653 1.00 0.00 C ATOM 1121 O ALA A 71 8.583 12.170 -6.130 1.00 0.00 O ATOM 1122 CB ALA A 71 11.169 11.152 -7.881 1.00 0.00 C ATOM 0 H ALA A 71 10.776 8.768 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 71 10.918 11.294 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.037 12.220 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.232 10.926 -7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.742 10.596 -8.716 1.00 0.00 H new ATOM 1128 N TYR A 72 8.192 10.287 -7.297 1.00 0.00 N ATOM 1129 CA TYR A 72 6.762 10.535 -7.429 1.00 0.00 C ATOM 1130 C TYR A 72 5.989 9.897 -6.279 1.00 0.00 C ATOM 1131 O TYR A 72 4.818 9.549 -6.421 1.00 0.00 O ATOM 1132 CB TYR A 72 6.251 9.993 -8.765 1.00 0.00 C ATOM 1133 CG TYR A 72 6.622 10.856 -9.950 1.00 0.00 C ATOM 1134 CD1 TYR A 72 5.789 11.884 -10.374 1.00 0.00 C ATOM 1135 CD2 TYR A 72 7.806 10.643 -10.646 1.00 0.00 C ATOM 1136 CE1 TYR A 72 6.124 12.674 -11.457 1.00 0.00 C ATOM 1137 CE2 TYR A 72 8.150 11.428 -11.729 1.00 0.00 C ATOM 1138 CZ TYR A 72 7.305 12.442 -12.131 1.00 0.00 C ATOM 1139 OH TYR A 72 7.643 13.228 -13.209 1.00 0.00 O ATOM 0 H TYR A 72 8.513 9.424 -7.736 1.00 0.00 H new ATOM 0 HA TYR A 72 6.601 11.613 -7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.650 8.990 -8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.166 9.901 -8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.864 12.069 -9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.469 9.849 -10.334 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.465 13.469 -11.774 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.075 11.249 -12.258 1.00 0.00 H new ATOM 0 HH TYR A 72 8.505 12.934 -13.570 1.00 0.00 H new ATOM 1149 N GLY A 73 6.655 9.746 -5.138 1.00 0.00 N ATOM 1150 CA GLY A 73 6.016 9.151 -3.979 1.00 0.00 C ATOM 1151 C GLY A 73 5.093 10.118 -3.265 1.00 0.00 C ATOM 1152 O GLY A 73 5.259 11.334 -3.365 1.00 0.00 O ATOM 0 H GLY A 73 7.626 10.025 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.448 8.275 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.781 8.804 -3.284 1.00 0.00 H new ATOM 1156 N SER A 74 4.117 9.578 -2.543 1.00 0.00 N ATOM 1157 CA SER A 74 3.160 10.402 -1.813 1.00 0.00 C ATOM 1158 C SER A 74 3.508 10.451 -0.328 1.00 0.00 C ATOM 1159 O SER A 74 4.425 9.771 0.129 1.00 0.00 O ATOM 1160 CB SER A 74 1.742 9.859 -1.999 1.00 0.00 C ATOM 1161 OG SER A 74 1.585 8.610 -1.349 1.00 0.00 O ATOM 0 H SER A 74 3.968 8.574 -2.448 1.00 0.00 H new ATOM 0 HA SER A 74 3.209 11.415 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.021 10.573 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.528 9.749 -3.062 1.00 0.00 H new ATOM 0 HG SER A 74 0.670 8.285 -1.481 1.00 0.00 H new ATOM 1167 N GLY A 75 2.766 11.263 0.420 1.00 0.00 N ATOM 1168 CA GLY A 75 3.010 11.388 1.845 1.00 0.00 C ATOM 1169 C GLY A 75 3.174 12.830 2.281 1.00 0.00 C ATOM 1170 O GLY A 75 3.137 13.754 1.469 1.00 0.00 O ATOM 0 H GLY A 75 2.001 11.836 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.182 10.938 2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.908 10.828 2.107 1.00 0.00 H new ATOM 1174 N PRO A 76 3.358 13.038 3.593 1.00 0.00 N ATOM 1175 CA PRO A 76 3.530 14.377 4.165 1.00 0.00 C ATOM 1176 C PRO A 76 4.865 15.005 3.779 1.00 0.00 C ATOM 1177 O PRO A 76 4.991 16.228 3.717 1.00 0.00 O ATOM 1178 CB PRO A 76 3.474 14.127 5.675 1.00 0.00 C ATOM 1179 CG PRO A 76 3.903 12.710 5.840 1.00 0.00 C ATOM 1180 CD PRO A 76 3.413 11.983 4.619 1.00 0.00 C ATOM 0 HA PRO A 76 2.773 15.074 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.135 14.806 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.469 14.284 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.987 12.638 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.481 12.278 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.090 11.178 4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 76 2.434 11.533 4.785 1.00 0.00 H new ATOM 1188 N SER A 77 5.858 14.161 3.518 1.00 0.00 N ATOM 1189 CA SER A 77 7.184 14.635 3.140 1.00 0.00 C ATOM 1190 C SER A 77 7.086 15.807 2.169 1.00 0.00 C ATOM 1191 O SER A 77 6.932 15.617 0.962 1.00 0.00 O ATOM 1192 CB SER A 77 7.993 13.500 2.508 1.00 0.00 C ATOM 1193 OG SER A 77 8.325 12.513 3.469 1.00 0.00 O ATOM 0 H SER A 77 5.769 13.146 3.561 1.00 0.00 H new ATOM 0 HA SER A 77 7.692 14.975 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.419 13.046 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.904 13.902 2.065 1.00 0.00 H new ATOM 0 HG SER A 77 8.840 11.798 3.039 1.00 0.00 H new ATOM 1199 N SER A 78 7.177 17.020 2.704 1.00 0.00 N ATOM 1200 CA SER A 78 7.095 18.225 1.887 1.00 0.00 C ATOM 1201 C SER A 78 5.892 18.164 0.950 1.00 0.00 C ATOM 1202 O SER A 78 5.995 18.489 -0.232 1.00 0.00 O ATOM 1203 CB SER A 78 8.379 18.404 1.075 1.00 0.00 C ATOM 1204 OG SER A 78 8.633 19.775 0.820 1.00 0.00 O ATOM 0 H SER A 78 7.308 17.195 3.700 1.00 0.00 H new ATOM 0 HA SER A 78 6.973 19.079 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.219 17.970 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.295 17.865 0.132 1.00 0.00 H new ATOM 0 HG SER A 78 9.460 19.864 0.301 1.00 0.00 H new ATOM 1210 N GLY A 79 4.750 17.746 1.488 1.00 0.00 N ATOM 1211 CA GLY A 79 3.544 17.650 0.688 1.00 0.00 C ATOM 1212 C GLY A 79 2.443 16.880 1.389 1.00 0.00 C ATOM 1213 O GLY A 79 2.131 17.147 2.549 1.00 0.00 O ATOM 0 H GLY A 79 4.639 17.472 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.188 18.653 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.778 17.163 -0.259 1.00 0.00 H new TER 1217 GLY A 79