USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -148:sc= 0.936 USER MOD Set 1.2: A 136 GLN : amide:sc= -4.26! C(o=-3.3!,f=-11!) USER MOD Set 2.1: A 90 GLN : amide:sc= -1.09! X(o=-0.73!,f=-0.81) USER MOD Set 2.2: A 143 SER OG : rot -34:sc= 0.354 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 85 THR OG1 : rot 180:sc=0.000357 USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.099) USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0.63 (180deg=0.627) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.03) USER MOD Single : A 98 CYS SG : rot -10:sc= 0.97 USER MOD Single : A 99 SER OG : rot 87:sc= 0.891 USER MOD Single : A 103 SER OG : rot 61:sc= 1.26 USER MOD Single : A 107 CYS SG : rot 124:sc= 1.2 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -10:sc= 0.958 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc=-0.00388 (180deg=-0.0912) USER MOD Single : A 122 THR OG1 : rot 70:sc= -0.698 USER MOD Single : A 123 CYS SG : rot -13:sc= -5.87! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -126:sc= 0.00573 USER MOD Single : A 132 ASN : amide:sc= 1.04 K(o=1,f=-3.8!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 139 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.332 (180deg=-4.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -8.349 10.841 14.487 1.00 0.00 N ATOM 2 CA ASN A 84 -7.992 9.455 14.157 1.00 0.00 C ATOM 3 C ASN A 84 -8.325 9.173 12.707 1.00 0.00 C ATOM 4 O ASN A 84 -7.431 8.985 11.883 1.00 0.00 O ATOM 5 CB ASN A 84 -8.734 8.454 15.063 1.00 0.00 C ATOM 6 CG ASN A 84 -8.302 7.016 14.818 1.00 0.00 C ATOM 7 OD1 ASN A 84 -7.163 6.752 14.460 1.00 0.00 O ATOM 8 ND2 ASN A 84 -9.200 6.085 14.999 1.00 0.00 N ATOM 0 HA ASN A 84 -6.921 9.333 14.321 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.554 8.711 16.107 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.807 8.542 14.893 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.959 5.106 14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.142 6.336 15.298 1.00 0.00 H new ATOM 17 N THR A 85 -9.607 9.162 12.397 1.00 0.00 N ATOM 18 CA THR A 85 -10.092 8.922 11.068 1.00 0.00 C ATOM 19 C THR A 85 -9.818 10.166 10.211 1.00 0.00 C ATOM 20 O THR A 85 -10.499 11.191 10.351 1.00 0.00 O ATOM 21 CB THR A 85 -11.607 8.657 11.145 1.00 0.00 C ATOM 22 OG1 THR A 85 -11.854 7.711 12.205 1.00 0.00 O ATOM 23 CG2 THR A 85 -12.134 8.081 9.840 1.00 0.00 C ATOM 0 H THR A 85 -10.347 9.323 13.080 1.00 0.00 H new ATOM 0 HA THR A 85 -9.593 8.062 10.622 1.00 0.00 H new ATOM 0 HB THR A 85 -12.117 9.601 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.816 7.533 12.267 1.00 0.00 H new ATOM 0 HG21 THR A 85 -13.206 7.905 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.946 8.785 9.029 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.628 7.139 9.627 1.00 0.00 H new ATOM 31 N ALA A 86 -8.783 10.102 9.402 1.00 0.00 N ATOM 32 CA ALA A 86 -8.393 11.238 8.586 1.00 0.00 C ATOM 33 C ALA A 86 -8.112 10.848 7.145 1.00 0.00 C ATOM 34 O ALA A 86 -8.352 11.630 6.223 1.00 0.00 O ATOM 35 CB ALA A 86 -7.174 11.906 9.182 1.00 0.00 C ATOM 0 H ALA A 86 -8.194 9.277 9.290 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.233 11.933 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.887 12.757 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.404 12.250 10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.351 11.193 9.221 1.00 0.00 H new ATOM 41 N ALA A 87 -7.599 9.658 6.950 1.00 0.00 N ATOM 42 CA ALA A 87 -7.224 9.199 5.627 1.00 0.00 C ATOM 43 C ALA A 87 -7.902 7.886 5.291 1.00 0.00 C ATOM 44 O ALA A 87 -7.487 7.159 4.389 1.00 0.00 O ATOM 45 CB ALA A 87 -5.727 9.071 5.534 1.00 0.00 C ATOM 0 H ALA A 87 -7.429 8.982 7.695 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.559 9.936 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.453 8.726 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.267 10.041 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.376 8.353 6.276 1.00 0.00 H new ATOM 51 N SER A 88 -8.998 7.647 5.947 1.00 0.00 N ATOM 52 CA SER A 88 -9.791 6.445 5.754 1.00 0.00 C ATOM 53 C SER A 88 -10.794 6.672 4.615 1.00 0.00 C ATOM 54 O SER A 88 -11.684 5.865 4.369 1.00 0.00 O ATOM 55 CB SER A 88 -10.547 6.142 7.042 1.00 0.00 C ATOM 56 OG SER A 88 -9.664 6.049 8.154 1.00 0.00 O ATOM 0 H SER A 88 -9.382 8.284 6.645 1.00 0.00 H new ATOM 0 HA SER A 88 -9.140 5.608 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.284 6.924 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.095 5.206 6.932 1.00 0.00 H new ATOM 0 HG SER A 88 -10.151 5.701 8.930 1.00 0.00 H new ATOM 62 N LEU A 89 -10.615 7.767 3.930 1.00 0.00 N ATOM 63 CA LEU A 89 -11.512 8.194 2.879 1.00 0.00 C ATOM 64 C LEU A 89 -10.902 8.036 1.499 1.00 0.00 C ATOM 65 O LEU A 89 -11.482 8.451 0.491 1.00 0.00 O ATOM 66 CB LEU A 89 -11.962 9.643 3.157 1.00 0.00 C ATOM 67 CG LEU A 89 -10.865 10.646 3.611 1.00 0.00 C ATOM 68 CD1 LEU A 89 -9.845 10.945 2.531 1.00 0.00 C ATOM 69 CD2 LEU A 89 -11.490 11.919 4.117 1.00 0.00 C ATOM 0 H LEU A 89 -9.831 8.401 4.084 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.389 7.546 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.425 10.034 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.736 9.616 3.924 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.321 10.163 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.108 11.651 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.345 10.022 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.347 11.377 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.707 12.609 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.080 12.376 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.137 11.695 4.965 1.00 0.00 H new ATOM 81 N GLN A 90 -9.759 7.420 1.458 1.00 0.00 N ATOM 82 CA GLN A 90 -9.039 7.257 0.224 1.00 0.00 C ATOM 83 C GLN A 90 -9.483 5.997 -0.483 1.00 0.00 C ATOM 84 O GLN A 90 -9.411 4.901 0.079 1.00 0.00 O ATOM 85 CB GLN A 90 -7.547 7.197 0.469 1.00 0.00 C ATOM 86 CG GLN A 90 -6.972 8.432 1.134 1.00 0.00 C ATOM 87 CD GLN A 90 -5.501 8.288 1.420 1.00 0.00 C ATOM 88 OE1 GLN A 90 -4.645 8.660 0.617 1.00 0.00 O ATOM 89 NE2 GLN A 90 -5.200 7.709 2.540 1.00 0.00 N ATOM 0 H GLN A 90 -9.298 7.017 2.273 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.257 8.121 -0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.328 6.329 1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.040 7.043 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.133 9.297 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.505 8.623 2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.940 7.416 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.223 7.546 2.784 1.00 0.00 H new ATOM 98 N GLN A 91 -9.936 6.155 -1.689 1.00 0.00 N ATOM 99 CA GLN A 91 -10.368 5.053 -2.498 1.00 0.00 C ATOM 100 C GLN A 91 -9.313 4.904 -3.583 1.00 0.00 C ATOM 101 O GLN A 91 -8.948 5.882 -4.247 1.00 0.00 O ATOM 102 CB GLN A 91 -11.756 5.337 -3.107 1.00 0.00 C ATOM 103 CG GLN A 91 -12.614 4.090 -3.436 1.00 0.00 C ATOM 104 CD GLN A 91 -11.938 3.081 -4.337 1.00 0.00 C ATOM 105 OE1 GLN A 91 -12.019 3.162 -5.560 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.312 2.096 -3.745 1.00 0.00 N ATOM 0 H GLN A 91 -10.018 7.063 -2.146 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.470 4.138 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.314 5.967 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.620 5.913 -4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.889 3.598 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.540 4.417 -3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.264 2.061 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -10.872 1.364 -4.302 1.00 0.00 H new ATOM 115 N TRP A 92 -8.833 3.715 -3.750 1.00 0.00 N ATOM 116 CA TRP A 92 -7.714 3.444 -4.609 1.00 0.00 C ATOM 117 C TRP A 92 -8.110 2.559 -5.777 1.00 0.00 C ATOM 118 O TRP A 92 -9.156 1.894 -5.736 1.00 0.00 O ATOM 119 CB TRP A 92 -6.659 2.717 -3.802 1.00 0.00 C ATOM 120 CG TRP A 92 -6.163 3.463 -2.605 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.646 3.399 -1.332 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.077 4.369 -2.574 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.915 4.210 -0.513 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.942 4.819 -1.251 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.199 4.838 -3.539 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.960 5.721 -0.876 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.230 5.723 -3.171 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.112 6.158 -1.848 1.00 0.00 C ATOM 0 H TRP A 92 -9.210 2.887 -3.288 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.342 4.391 -5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.067 1.761 -3.474 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.812 2.496 -4.452 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.484 2.795 -1.018 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.070 4.340 0.487 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.281 4.508 -4.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.871 6.063 0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.541 6.095 -3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.330 6.857 -1.590 1.00 0.00 H new ATOM 139 N LYS A 93 -7.276 2.545 -6.801 1.00 0.00 N ATOM 140 CA LYS A 93 -7.461 1.671 -7.943 1.00 0.00 C ATOM 141 C LYS A 93 -6.139 0.966 -8.211 1.00 0.00 C ATOM 142 O LYS A 93 -5.090 1.412 -7.725 1.00 0.00 O ATOM 143 CB LYS A 93 -7.910 2.470 -9.186 1.00 0.00 C ATOM 144 CG LYS A 93 -6.841 3.381 -9.784 1.00 0.00 C ATOM 145 CD LYS A 93 -7.420 4.401 -10.753 1.00 0.00 C ATOM 146 CE LYS A 93 -8.327 5.398 -10.034 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.610 6.153 -8.973 1.00 0.00 N ATOM 0 H LYS A 93 -6.450 3.141 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.243 0.943 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.239 1.768 -9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.775 3.076 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.322 3.903 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.099 2.773 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.610 4.935 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.985 3.887 -11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.739 6.099 -10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.169 4.866 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.278 6.779 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.195 5.485 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.854 6.723 -9.403 1.00 0.00 H new ATOM 161 N VAL A 94 -6.183 -0.138 -8.921 1.00 0.00 N ATOM 162 CA VAL A 94 -4.973 -0.851 -9.279 1.00 0.00 C ATOM 163 C VAL A 94 -4.133 0.051 -10.179 1.00 0.00 C ATOM 164 O VAL A 94 -4.642 0.580 -11.165 1.00 0.00 O ATOM 165 CB VAL A 94 -5.303 -2.160 -10.035 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.031 -2.875 -10.448 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.165 -3.071 -9.171 1.00 0.00 C ATOM 0 H VAL A 94 -7.044 -0.564 -9.264 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.429 -1.110 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.861 -1.903 -10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.285 -3.793 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.446 -2.228 -11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.446 -3.118 -9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.388 -3.987 -9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.629 -3.317 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.096 -2.562 -8.922 1.00 0.00 H new ATOM 177 N GLY A 95 -2.881 0.231 -9.836 1.00 0.00 N ATOM 178 CA GLY A 95 -2.034 1.111 -10.602 1.00 0.00 C ATOM 179 C GLY A 95 -1.912 2.480 -9.970 1.00 0.00 C ATOM 180 O GLY A 95 -1.457 3.440 -10.610 1.00 0.00 O ATOM 0 H GLY A 95 -2.429 -0.216 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.043 0.667 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.436 1.213 -11.610 1.00 0.00 H new ATOM 184 N ASP A 96 -2.339 2.593 -8.728 1.00 0.00 N ATOM 185 CA ASP A 96 -2.204 3.842 -7.997 1.00 0.00 C ATOM 186 C ASP A 96 -1.001 3.780 -7.128 1.00 0.00 C ATOM 187 O ASP A 96 -0.730 2.746 -6.502 1.00 0.00 O ATOM 188 CB ASP A 96 -3.428 4.203 -7.118 1.00 0.00 C ATOM 189 CG ASP A 96 -4.512 5.008 -7.807 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.207 5.764 -8.757 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.703 4.926 -7.388 1.00 0.00 O ATOM 0 H ASP A 96 -2.782 1.839 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.119 4.621 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.869 3.279 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.078 4.764 -6.252 1.00 0.00 H new ATOM 196 N LYS A 97 -0.235 4.831 -7.130 1.00 0.00 N ATOM 197 CA LYS A 97 0.874 4.928 -6.248 1.00 0.00 C ATOM 198 C LYS A 97 0.420 5.294 -4.885 1.00 0.00 C ATOM 199 O LYS A 97 -0.518 6.078 -4.721 1.00 0.00 O ATOM 200 CB LYS A 97 1.872 5.938 -6.711 1.00 0.00 C ATOM 201 CG LYS A 97 2.459 5.613 -8.025 1.00 0.00 C ATOM 202 CD LYS A 97 3.765 6.316 -8.177 1.00 0.00 C ATOM 203 CE LYS A 97 4.459 5.860 -9.408 1.00 0.00 C ATOM 204 NZ LYS A 97 5.826 6.412 -9.494 1.00 0.00 N ATOM 0 H LYS A 97 -0.366 5.637 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 97 1.354 3.949 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.392 6.915 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.670 6.016 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.602 4.536 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.779 5.912 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.602 7.393 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.392 6.124 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.504 4.771 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.886 6.165 -10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.221 6.217 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.796 7.440 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.426 5.969 -8.769 1.00 0.00 H new ATOM 218 N CYS A 98 1.097 4.772 -3.926 1.00 0.00 N ATOM 219 CA CYS A 98 0.765 5.001 -2.545 1.00 0.00 C ATOM 220 C CYS A 98 1.995 4.766 -1.671 1.00 0.00 C ATOM 221 O CYS A 98 3.122 4.664 -2.178 1.00 0.00 O ATOM 222 CB CYS A 98 -0.384 4.057 -2.134 1.00 0.00 C ATOM 223 SG CYS A 98 -0.013 2.310 -2.338 1.00 0.00 S ATOM 0 H CYS A 98 1.906 4.167 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 98 0.440 6.033 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.636 4.244 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.268 4.300 -2.724 1.00 0.00 H new ATOM 0 HG CYS A 98 1.096 2.177 -3.003 1.00 0.00 H new ATOM 229 N SER A 99 1.789 4.726 -0.400 1.00 0.00 N ATOM 230 CA SER A 99 2.799 4.386 0.537 1.00 0.00 C ATOM 231 C SER A 99 2.182 3.394 1.488 1.00 0.00 C ATOM 232 O SER A 99 0.978 3.481 1.792 1.00 0.00 O ATOM 233 CB SER A 99 3.283 5.594 1.307 1.00 0.00 C ATOM 234 OG SER A 99 3.576 6.697 0.449 1.00 0.00 O ATOM 0 H SER A 99 0.887 4.935 0.027 1.00 0.00 H new ATOM 0 HA SER A 99 3.665 3.975 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.523 5.890 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.176 5.329 1.873 1.00 0.00 H new ATOM 0 HG SER A 99 2.762 7.222 0.301 1.00 0.00 H new ATOM 240 N ALA A 100 2.963 2.484 1.949 1.00 0.00 N ATOM 241 CA ALA A 100 2.482 1.410 2.763 1.00 0.00 C ATOM 242 C ALA A 100 3.437 1.153 3.904 1.00 0.00 C ATOM 243 O ALA A 100 4.585 1.624 3.873 1.00 0.00 O ATOM 244 CB ALA A 100 2.305 0.180 1.904 1.00 0.00 C ATOM 0 H ALA A 100 3.967 2.458 1.773 1.00 0.00 H new ATOM 0 HA ALA A 100 1.517 1.675 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.939 -0.643 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.586 0.390 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.262 -0.096 1.462 1.00 0.00 H new ATOM 250 N ILE A 101 2.959 0.470 4.926 1.00 0.00 N ATOM 251 CA ILE A 101 3.789 0.147 6.076 1.00 0.00 C ATOM 252 C ILE A 101 4.421 -1.212 5.846 1.00 0.00 C ATOM 253 O ILE A 101 3.706 -2.206 5.704 1.00 0.00 O ATOM 254 CB ILE A 101 2.969 0.101 7.416 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.577 1.503 7.880 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.746 -0.619 8.535 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.749 2.315 8.401 1.00 0.00 C ATOM 0 H ILE A 101 2.000 0.127 4.986 1.00 0.00 H new ATOM 0 HA ILE A 101 4.541 0.930 6.176 1.00 0.00 H new ATOM 0 HB ILE A 101 2.061 -0.465 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.115 2.037 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.824 1.421 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.146 -0.630 9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.960 -1.643 8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.682 -0.094 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.400 3.299 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.197 1.802 9.252 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.493 2.428 7.612 1.00 0.00 H new ATOM 269 N TRP A 102 5.730 -1.249 5.801 1.00 0.00 N ATOM 270 CA TRP A 102 6.457 -2.483 5.594 1.00 0.00 C ATOM 271 C TRP A 102 6.300 -3.377 6.790 1.00 0.00 C ATOM 272 O TRP A 102 6.560 -2.952 7.892 1.00 0.00 O ATOM 273 CB TRP A 102 7.937 -2.203 5.365 1.00 0.00 C ATOM 274 CG TRP A 102 8.700 -3.386 4.842 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.203 -4.406 4.101 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.090 -3.646 4.982 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.181 -5.283 3.775 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.360 -4.841 4.296 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.129 -2.990 5.613 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.628 -5.388 4.230 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.394 -3.533 5.551 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.630 -4.722 4.864 1.00 0.00 C ATOM 0 H TRP A 102 6.324 -0.426 5.906 1.00 0.00 H new ATOM 0 HA TRP A 102 6.050 -2.976 4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.037 -1.377 4.661 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.386 -1.878 6.304 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.168 -4.506 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.056 -6.135 3.229 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.953 -2.067 6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.815 -6.308 3.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.214 -3.030 6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.632 -5.124 4.834 1.00 0.00 H new ATOM 293 N SER A 103 5.892 -4.603 6.572 1.00 0.00 N ATOM 294 CA SER A 103 5.729 -5.572 7.643 1.00 0.00 C ATOM 295 C SER A 103 6.999 -5.776 8.451 1.00 0.00 C ATOM 296 O SER A 103 6.948 -6.030 9.655 1.00 0.00 O ATOM 297 CB SER A 103 5.303 -6.909 7.061 1.00 0.00 C ATOM 298 OG SER A 103 3.925 -6.956 6.781 1.00 0.00 O ATOM 0 H SER A 103 5.661 -4.964 5.646 1.00 0.00 H new ATOM 0 HA SER A 103 4.967 -5.175 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.864 -7.099 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.556 -7.705 7.762 1.00 0.00 H new ATOM 0 HG SER A 103 3.703 -6.272 6.116 1.00 0.00 H new ATOM 304 N GLU A 104 8.115 -5.622 7.801 1.00 0.00 N ATOM 305 CA GLU A 104 9.370 -5.966 8.404 1.00 0.00 C ATOM 306 C GLU A 104 9.950 -4.854 9.252 1.00 0.00 C ATOM 307 O GLU A 104 10.490 -5.101 10.325 1.00 0.00 O ATOM 308 CB GLU A 104 10.350 -6.357 7.343 1.00 0.00 C ATOM 309 CG GLU A 104 9.856 -7.459 6.439 1.00 0.00 C ATOM 310 CD GLU A 104 9.691 -8.757 7.146 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.696 -9.301 7.631 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.566 -9.269 7.229 1.00 0.00 O ATOM 0 H GLU A 104 8.182 -5.259 6.850 1.00 0.00 H new ATOM 0 HA GLU A 104 9.178 -6.804 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.586 -5.481 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.278 -6.677 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.901 -7.164 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.557 -7.587 5.614 1.00 0.00 H new ATOM 319 N ASP A 105 9.852 -3.631 8.773 1.00 0.00 N ATOM 320 CA ASP A 105 10.488 -2.515 9.479 1.00 0.00 C ATOM 321 C ASP A 105 9.439 -1.638 10.113 1.00 0.00 C ATOM 322 O ASP A 105 9.728 -0.841 10.989 1.00 0.00 O ATOM 323 CB ASP A 105 11.329 -1.699 8.500 1.00 0.00 C ATOM 324 CG ASP A 105 12.370 -0.818 9.135 1.00 0.00 C ATOM 325 OD1 ASP A 105 12.098 0.345 9.425 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.516 -1.279 9.295 1.00 0.00 O ATOM 0 H ASP A 105 9.353 -3.378 7.920 1.00 0.00 H new ATOM 0 HA ASP A 105 11.134 -2.911 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.825 -2.384 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.662 -1.076 7.904 1.00 0.00 H new ATOM 331 N GLY A 106 8.201 -1.793 9.649 1.00 0.00 N ATOM 332 CA GLY A 106 7.083 -1.026 10.178 1.00 0.00 C ATOM 333 C GLY A 106 7.046 0.391 9.664 1.00 0.00 C ATOM 334 O GLY A 106 6.222 1.193 10.099 1.00 0.00 O ATOM 0 H GLY A 106 7.950 -2.445 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.150 -1.526 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.142 -1.011 11.266 1.00 0.00 H new ATOM 338 N CYS A 107 7.932 0.705 8.766 1.00 0.00 N ATOM 339 CA CYS A 107 8.039 2.035 8.247 1.00 0.00 C ATOM 340 C CYS A 107 7.245 2.257 6.970 1.00 0.00 C ATOM 341 O CYS A 107 6.846 1.299 6.298 1.00 0.00 O ATOM 342 CB CYS A 107 9.484 2.415 8.093 1.00 0.00 C ATOM 343 SG CYS A 107 10.340 2.607 9.660 1.00 0.00 S ATOM 0 H CYS A 107 8.602 0.044 8.372 1.00 0.00 H new ATOM 0 HA CYS A 107 7.580 2.702 8.977 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.991 1.653 7.501 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.549 3.349 7.535 1.00 0.00 H new ATOM 0 HG CYS A 107 11.381 1.829 9.684 1.00 0.00 H new ATOM 349 N ILE A 108 7.017 3.522 6.658 1.00 0.00 N ATOM 350 CA ILE A 108 6.335 3.941 5.441 1.00 0.00 C ATOM 351 C ILE A 108 7.289 3.873 4.267 1.00 0.00 C ATOM 352 O ILE A 108 8.385 4.457 4.301 1.00 0.00 O ATOM 353 CB ILE A 108 5.844 5.410 5.526 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.908 5.630 6.698 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.138 5.789 4.235 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.550 5.006 6.534 1.00 0.00 C ATOM 0 H ILE A 108 7.304 4.300 7.251 1.00 0.00 H new ATOM 0 HA ILE A 108 5.484 3.272 5.316 1.00 0.00 H new ATOM 0 HB ILE A 108 6.719 6.042 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.373 5.228 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.786 6.702 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.794 6.821 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.830 5.687 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.283 5.131 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.946 5.212 7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.061 5.424 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.657 3.928 6.411 1.00 0.00 H new ATOM 368 N TYR A 109 6.885 3.198 3.253 1.00 0.00 N ATOM 369 CA TYR A 109 7.644 3.114 2.031 1.00 0.00 C ATOM 370 C TYR A 109 6.725 3.279 0.845 1.00 0.00 C ATOM 371 O TYR A 109 5.544 2.917 0.926 1.00 0.00 O ATOM 372 CB TYR A 109 8.400 1.801 1.929 1.00 0.00 C ATOM 373 CG TYR A 109 9.515 1.644 2.924 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.758 2.195 2.684 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.330 0.924 4.088 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.786 2.036 3.580 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.348 0.753 4.985 1.00 0.00 C ATOM 378 CZ TYR A 109 11.574 1.308 4.731 1.00 0.00 C ATOM 379 OH TYR A 109 12.585 1.145 5.634 1.00 0.00 O ATOM 0 H TYR A 109 6.008 2.677 3.235 1.00 0.00 H new ATOM 0 HA TYR A 109 8.380 3.918 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.695 0.980 2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.812 1.711 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.924 2.759 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.364 0.488 4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.752 2.477 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.186 0.184 5.888 1.00 0.00 H new ATOM 0 HH TYR A 109 12.266 0.607 6.388 1.00 0.00 H new ATOM 389 N PRO A 110 7.226 3.860 -0.255 1.00 0.00 N ATOM 390 CA PRO A 110 6.443 4.053 -1.468 1.00 0.00 C ATOM 391 C PRO A 110 6.155 2.729 -2.154 1.00 0.00 C ATOM 392 O PRO A 110 7.061 1.924 -2.406 1.00 0.00 O ATOM 393 CB PRO A 110 7.344 4.915 -2.349 1.00 0.00 C ATOM 394 CG PRO A 110 8.724 4.631 -1.875 1.00 0.00 C ATOM 395 CD PRO A 110 8.607 4.369 -0.406 1.00 0.00 C ATOM 0 HA PRO A 110 5.473 4.508 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.228 4.660 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.101 5.973 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.145 3.770 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.385 5.475 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.343 3.639 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.767 5.276 0.177 1.00 0.00 H new ATOM 403 N ALA A 111 4.923 2.501 -2.450 1.00 0.00 N ATOM 404 CA ALA A 111 4.520 1.292 -3.072 1.00 0.00 C ATOM 405 C ALA A 111 3.409 1.565 -4.040 1.00 0.00 C ATOM 406 O ALA A 111 2.669 2.519 -3.884 1.00 0.00 O ATOM 407 CB ALA A 111 4.084 0.288 -2.030 1.00 0.00 C ATOM 0 H ALA A 111 4.162 3.154 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 111 5.365 0.872 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.777 -0.636 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.914 0.081 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.246 0.693 -1.463 1.00 0.00 H new ATOM 413 N THR A 112 3.296 0.769 -5.033 1.00 0.00 N ATOM 414 CA THR A 112 2.245 0.945 -5.986 1.00 0.00 C ATOM 415 C THR A 112 1.293 -0.228 -5.845 1.00 0.00 C ATOM 416 O THR A 112 1.714 -1.326 -5.492 1.00 0.00 O ATOM 417 CB THR A 112 2.845 1.000 -7.397 1.00 0.00 C ATOM 418 OG1 THR A 112 3.996 1.867 -7.357 1.00 0.00 O ATOM 419 CG2 THR A 112 1.844 1.575 -8.380 1.00 0.00 C ATOM 0 H THR A 112 3.917 -0.019 -5.217 1.00 0.00 H new ATOM 0 HA THR A 112 1.705 1.876 -5.813 1.00 0.00 H new ATOM 0 HB THR A 112 3.114 -0.007 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.399 1.917 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.288 1.606 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.952 0.948 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.571 2.585 -8.073 1.00 0.00 H new ATOM 427 N ILE A 113 0.043 0.008 -6.088 1.00 0.00 N ATOM 428 CA ILE A 113 -0.969 -1.008 -5.939 1.00 0.00 C ATOM 429 C ILE A 113 -0.979 -1.941 -7.132 1.00 0.00 C ATOM 430 O ILE A 113 -1.257 -1.520 -8.259 1.00 0.00 O ATOM 431 CB ILE A 113 -2.344 -0.364 -5.775 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.320 0.573 -4.576 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.401 -1.436 -5.592 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.541 1.420 -4.449 1.00 0.00 C ATOM 0 H ILE A 113 -0.314 0.912 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.736 -1.589 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.589 0.209 -6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.203 -0.018 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.446 1.220 -4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.378 -0.967 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.413 -2.088 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.173 -2.024 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.450 2.061 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.649 2.038 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.418 0.781 -4.342 1.00 0.00 H new ATOM 446 N ALA A 114 -0.708 -3.196 -6.874 1.00 0.00 N ATOM 447 CA ALA A 114 -0.637 -4.193 -7.911 1.00 0.00 C ATOM 448 C ALA A 114 -1.975 -4.877 -8.090 1.00 0.00 C ATOM 449 O ALA A 114 -2.308 -5.323 -9.183 1.00 0.00 O ATOM 450 CB ALA A 114 0.433 -5.215 -7.583 1.00 0.00 C ATOM 0 H ALA A 114 -0.530 -3.555 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.377 -3.697 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.477 -5.963 -8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.399 -4.717 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.194 -5.701 -6.637 1.00 0.00 H new ATOM 456 N SER A 115 -2.738 -4.978 -7.017 1.00 0.00 N ATOM 457 CA SER A 115 -4.053 -5.617 -7.053 1.00 0.00 C ATOM 458 C SER A 115 -4.851 -5.187 -5.845 1.00 0.00 C ATOM 459 O SER A 115 -4.272 -4.968 -4.797 1.00 0.00 O ATOM 460 CB SER A 115 -3.911 -7.145 -7.022 1.00 0.00 C ATOM 461 OG SER A 115 -3.181 -7.637 -8.136 1.00 0.00 O ATOM 0 H SER A 115 -2.471 -4.624 -6.098 1.00 0.00 H new ATOM 0 HA SER A 115 -4.557 -5.319 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.410 -7.443 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.901 -7.600 -7.008 1.00 0.00 H new ATOM 0 HG SER A 115 -3.053 -6.916 -8.787 1.00 0.00 H new ATOM 467 N ILE A 116 -6.150 -5.044 -5.989 1.00 0.00 N ATOM 468 CA ILE A 116 -7.004 -4.707 -4.881 1.00 0.00 C ATOM 469 C ILE A 116 -8.085 -5.750 -4.722 1.00 0.00 C ATOM 470 O ILE A 116 -8.723 -6.157 -5.701 1.00 0.00 O ATOM 471 CB ILE A 116 -7.694 -3.343 -5.083 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.671 -2.231 -5.221 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.646 -3.054 -3.930 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.273 -0.923 -5.583 1.00 0.00 C ATOM 0 H ILE A 116 -6.639 -5.159 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.370 -4.662 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.270 -3.387 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.129 -2.126 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.941 -2.510 -5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.125 -2.088 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.407 -3.833 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.088 -3.034 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.488 -0.172 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.791 -1.013 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.982 -0.623 -4.812 1.00 0.00 H new ATOM 486 N ASP A 117 -8.301 -6.156 -3.512 1.00 0.00 N ATOM 487 CA ASP A 117 -9.381 -7.040 -3.196 1.00 0.00 C ATOM 488 C ASP A 117 -10.335 -6.231 -2.382 1.00 0.00 C ATOM 489 O ASP A 117 -10.132 -6.028 -1.180 1.00 0.00 O ATOM 490 CB ASP A 117 -8.933 -8.254 -2.399 1.00 0.00 C ATOM 491 CG ASP A 117 -9.979 -9.347 -2.374 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.927 -9.280 -1.565 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.845 -10.309 -3.175 1.00 0.00 O ATOM 0 H ASP A 117 -7.732 -5.884 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.824 -7.430 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.011 -8.647 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.705 -7.950 -1.377 1.00 0.00 H new ATOM 498 N PHE A 118 -11.331 -5.710 -3.036 1.00 0.00 N ATOM 499 CA PHE A 118 -12.301 -4.837 -2.415 1.00 0.00 C ATOM 500 C PHE A 118 -13.114 -5.575 -1.386 1.00 0.00 C ATOM 501 O PHE A 118 -13.646 -4.974 -0.453 1.00 0.00 O ATOM 502 CB PHE A 118 -13.212 -4.199 -3.459 1.00 0.00 C ATOM 503 CG PHE A 118 -12.488 -3.293 -4.417 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.106 -2.019 -4.029 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.184 -3.713 -5.700 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.440 -1.185 -4.900 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.514 -2.879 -6.577 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.144 -1.614 -6.175 1.00 0.00 C ATOM 0 H PHE A 118 -11.501 -5.877 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.753 -4.042 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.711 -4.987 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.990 -3.629 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.333 -1.675 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.473 -4.703 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.150 -0.194 -4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.281 -3.219 -7.575 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.623 -0.960 -6.858 1.00 0.00 H new ATOM 518 N LYS A 119 -13.195 -6.874 -1.531 1.00 0.00 N ATOM 519 CA LYS A 119 -13.920 -7.674 -0.595 1.00 0.00 C ATOM 520 C LYS A 119 -13.169 -7.749 0.723 1.00 0.00 C ATOM 521 O LYS A 119 -13.764 -7.606 1.778 1.00 0.00 O ATOM 522 CB LYS A 119 -14.195 -9.050 -1.170 1.00 0.00 C ATOM 523 CG LYS A 119 -15.046 -9.026 -2.431 1.00 0.00 C ATOM 524 CD LYS A 119 -16.438 -8.466 -2.160 1.00 0.00 C ATOM 525 CE LYS A 119 -17.297 -8.424 -3.418 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.558 -9.771 -3.968 1.00 0.00 N ATOM 0 H LYS A 119 -12.763 -7.395 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.885 -7.207 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.246 -9.538 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.696 -9.656 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.552 -8.422 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.132 -10.036 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.933 -9.077 -1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.349 -7.460 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.246 -7.937 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.800 -7.816 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.266 -9.705 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.676 -10.167 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.917 -10.391 -3.214 1.00 0.00 H new ATOM 540 N ARG A 120 -11.846 -7.888 0.668 1.00 0.00 N ATOM 541 CA ARG A 120 -11.059 -7.896 1.908 1.00 0.00 C ATOM 542 C ARG A 120 -10.798 -6.467 2.351 1.00 0.00 C ATOM 543 O ARG A 120 -10.355 -6.228 3.484 1.00 0.00 O ATOM 544 CB ARG A 120 -9.691 -8.546 1.705 1.00 0.00 C ATOM 545 CG ARG A 120 -9.682 -9.973 1.243 1.00 0.00 C ATOM 546 CD ARG A 120 -8.250 -10.458 1.076 1.00 0.00 C ATOM 547 NE ARG A 120 -8.184 -11.808 0.522 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.135 -12.309 -0.154 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.007 -11.619 -0.279 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.218 -13.509 -0.699 1.00 0.00 N ATOM 0 H ARG A 120 -11.306 -7.994 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.631 -8.457 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.136 -7.951 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.145 -8.490 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.205 -10.601 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.217 -10.061 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.710 -9.773 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.747 -10.439 2.043 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.992 -12.415 0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.926 -10.693 0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.222 -12.015 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.076 -14.053 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.424 -13.892 -1.212 1.00 0.00 H new ATOM 564 N GLU A 121 -11.141 -5.528 1.459 1.00 0.00 N ATOM 565 CA GLU A 121 -10.938 -4.095 1.628 1.00 0.00 C ATOM 566 C GLU A 121 -9.409 -3.831 1.725 1.00 0.00 C ATOM 567 O GLU A 121 -8.948 -2.846 2.335 1.00 0.00 O ATOM 568 CB GLU A 121 -11.679 -3.593 2.886 1.00 0.00 C ATOM 569 CG GLU A 121 -12.147 -2.144 2.822 1.00 0.00 C ATOM 570 CD GLU A 121 -13.294 -1.944 1.847 1.00 0.00 C ATOM 571 OE1 GLU A 121 -14.442 -2.312 2.180 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.088 -1.422 0.738 1.00 0.00 O ATOM 0 H GLU A 121 -11.583 -5.761 0.570 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.345 -3.549 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.545 -4.232 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.021 -3.709 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.459 -1.823 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.311 -1.509 2.529 1.00 0.00 H new ATOM 579 N THR A 122 -8.636 -4.694 1.063 1.00 0.00 N ATOM 580 CA THR A 122 -7.194 -4.640 1.097 1.00 0.00 C ATOM 581 C THR A 122 -6.634 -4.713 -0.317 1.00 0.00 C ATOM 582 O THR A 122 -7.357 -5.001 -1.261 1.00 0.00 O ATOM 583 CB THR A 122 -6.605 -5.810 1.919 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.025 -7.061 1.368 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.033 -5.744 3.365 1.00 0.00 C ATOM 0 H THR A 122 -9.006 -5.451 0.488 1.00 0.00 H new ATOM 0 HA THR A 122 -6.914 -3.698 1.568 1.00 0.00 H new ATOM 0 HB THR A 122 -5.519 -5.726 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.585 -7.202 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.600 -6.582 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.688 -4.808 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.120 -5.795 3.425 1.00 0.00 H new ATOM 593 N CYS A 123 -5.374 -4.445 -0.458 1.00 0.00 N ATOM 594 CA CYS A 123 -4.720 -4.479 -1.726 1.00 0.00 C ATOM 595 C CYS A 123 -3.279 -4.882 -1.572 1.00 0.00 C ATOM 596 O CYS A 123 -2.696 -4.679 -0.529 1.00 0.00 O ATOM 597 CB CYS A 123 -4.819 -3.120 -2.355 1.00 0.00 C ATOM 598 SG CYS A 123 -4.280 -1.808 -1.266 1.00 0.00 S ATOM 0 H CYS A 123 -4.762 -4.192 0.318 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.204 -5.218 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.217 -3.101 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.852 -2.937 -2.652 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.179 -2.265 -0.053 1.00 0.00 H new ATOM 604 N VAL A 124 -2.714 -5.419 -2.606 1.00 0.00 N ATOM 605 CA VAL A 124 -1.330 -5.805 -2.604 1.00 0.00 C ATOM 606 C VAL A 124 -0.542 -4.682 -3.215 1.00 0.00 C ATOM 607 O VAL A 124 -0.890 -4.189 -4.304 1.00 0.00 O ATOM 608 CB VAL A 124 -1.087 -7.123 -3.402 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.396 -7.490 -3.430 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.887 -8.263 -2.797 1.00 0.00 C ATOM 0 H VAL A 124 -3.199 -5.605 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.015 -5.996 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.418 -6.955 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.532 -8.413 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.960 -6.688 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.755 -7.631 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.707 -9.176 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.580 -8.413 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.949 -8.019 -2.829 1.00 0.00 H new ATOM 620 N VAL A 125 0.494 -4.278 -2.545 1.00 0.00 N ATOM 621 CA VAL A 125 1.295 -3.194 -2.995 1.00 0.00 C ATOM 622 C VAL A 125 2.708 -3.675 -3.248 1.00 0.00 C ATOM 623 O VAL A 125 3.204 -4.588 -2.580 1.00 0.00 O ATOM 624 CB VAL A 125 1.334 -2.042 -1.938 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.056 -1.486 -1.669 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.991 -2.505 -0.630 1.00 0.00 C ATOM 0 H VAL A 125 0.804 -4.696 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 125 0.855 -2.810 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 125 1.942 -1.241 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.008 -0.687 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.475 -1.091 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.699 -2.281 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.002 -1.681 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.425 -3.338 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.013 -2.826 -0.830 1.00 0.00 H new ATOM 636 N VAL A 126 3.318 -3.099 -4.236 1.00 0.00 N ATOM 637 CA VAL A 126 4.670 -3.398 -4.588 1.00 0.00 C ATOM 638 C VAL A 126 5.525 -2.215 -4.238 1.00 0.00 C ATOM 639 O VAL A 126 5.326 -1.121 -4.783 1.00 0.00 O ATOM 640 CB VAL A 126 4.833 -3.683 -6.094 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.297 -3.942 -6.419 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.981 -4.860 -6.516 1.00 0.00 C ATOM 0 H VAL A 126 2.882 -2.395 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 126 4.968 -4.292 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 126 4.497 -2.808 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.403 -4.142 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.889 -3.066 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.649 -4.803 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.113 -5.041 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.282 -5.746 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.933 -4.642 -6.312 1.00 0.00 H new ATOM 652 N TYR A 127 6.456 -2.424 -3.362 1.00 0.00 N ATOM 653 CA TYR A 127 7.342 -1.380 -2.917 1.00 0.00 C ATOM 654 C TYR A 127 8.297 -0.970 -3.997 1.00 0.00 C ATOM 655 O TYR A 127 9.094 -1.788 -4.499 1.00 0.00 O ATOM 656 CB TYR A 127 8.095 -1.806 -1.690 1.00 0.00 C ATOM 657 CG TYR A 127 7.204 -2.029 -0.523 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.772 -0.957 0.224 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.793 -3.307 -0.155 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.961 -1.131 1.298 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.981 -3.490 0.921 1.00 0.00 C ATOM 662 CZ TYR A 127 5.566 -2.386 1.648 1.00 0.00 C ATOM 663 OH TYR A 127 4.750 -2.534 2.713 1.00 0.00 O ATOM 0 H TYR A 127 6.629 -3.330 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 127 6.727 -0.516 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.643 -2.723 -1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.834 -1.045 -1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.084 0.040 -0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.122 -4.161 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.631 -0.278 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.664 -4.483 1.205 1.00 0.00 H new ATOM 0 HH TYR A 127 4.941 -3.387 3.156 1.00 0.00 H new ATOM 673 N THR A 128 8.221 0.278 -4.341 1.00 0.00 N ATOM 674 CA THR A 128 9.024 0.846 -5.369 1.00 0.00 C ATOM 675 C THR A 128 10.497 0.863 -4.950 1.00 0.00 C ATOM 676 O THR A 128 10.836 1.272 -3.836 1.00 0.00 O ATOM 677 CB THR A 128 8.562 2.281 -5.644 1.00 0.00 C ATOM 678 OG1 THR A 128 7.149 2.280 -5.961 1.00 0.00 O ATOM 679 CG2 THR A 128 9.337 2.866 -6.799 1.00 0.00 C ATOM 0 H THR A 128 7.583 0.942 -3.902 1.00 0.00 H new ATOM 0 HA THR A 128 8.918 0.241 -6.270 1.00 0.00 H new ATOM 0 HB THR A 128 8.739 2.887 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.852 3.198 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.999 3.886 -6.984 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.400 2.874 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.172 2.262 -7.691 1.00 0.00 H new ATOM 687 N GLY A 129 11.349 0.391 -5.833 1.00 0.00 N ATOM 688 CA GLY A 129 12.760 0.391 -5.584 1.00 0.00 C ATOM 689 C GLY A 129 13.226 -0.933 -5.053 1.00 0.00 C ATOM 690 O GLY A 129 14.396 -1.274 -5.160 1.00 0.00 O ATOM 0 H GLY A 129 11.079 0.000 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.293 0.622 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.004 1.177 -4.869 1.00 0.00 H new ATOM 694 N TYR A 130 12.309 -1.684 -4.489 1.00 0.00 N ATOM 695 CA TYR A 130 12.637 -2.958 -3.891 1.00 0.00 C ATOM 696 C TYR A 130 12.048 -4.111 -4.686 1.00 0.00 C ATOM 697 O TYR A 130 12.707 -5.127 -4.897 1.00 0.00 O ATOM 698 CB TYR A 130 12.133 -3.003 -2.457 1.00 0.00 C ATOM 699 CG TYR A 130 12.623 -1.849 -1.619 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.910 -1.834 -1.111 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.793 -0.773 -1.336 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.357 -0.781 -0.344 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.233 0.282 -0.572 1.00 0.00 C ATOM 704 CZ TYR A 130 13.516 0.271 -0.076 1.00 0.00 C ATOM 705 OH TYR A 130 13.965 1.325 0.687 1.00 0.00 O ATOM 0 H TYR A 130 11.322 -1.432 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 130 13.722 -3.065 -3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 130 11.043 -3.003 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.450 -3.939 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.574 -2.660 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.785 -0.764 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.365 -0.783 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.576 1.113 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 130 13.352 1.470 1.437 1.00 0.00 H new ATOM 715 N GLY A 131 10.805 -3.963 -5.109 1.00 0.00 N ATOM 716 CA GLY A 131 10.162 -5.015 -5.869 1.00 0.00 C ATOM 717 C GLY A 131 9.407 -5.991 -4.984 1.00 0.00 C ATOM 718 O GLY A 131 8.941 -7.036 -5.444 1.00 0.00 O ATOM 0 H GLY A 131 10.230 -3.137 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.472 -4.571 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.914 -5.556 -6.443 1.00 0.00 H new ATOM 722 N ASN A 132 9.299 -5.662 -3.718 1.00 0.00 N ATOM 723 CA ASN A 132 8.568 -6.489 -2.752 1.00 0.00 C ATOM 724 C ASN A 132 7.100 -6.239 -2.858 1.00 0.00 C ATOM 725 O ASN A 132 6.690 -5.152 -3.228 1.00 0.00 O ATOM 726 CB ASN A 132 8.968 -6.168 -1.331 1.00 0.00 C ATOM 727 CG ASN A 132 10.250 -6.790 -0.848 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.181 -7.083 -1.620 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.329 -6.952 0.436 1.00 0.00 N ATOM 0 H ASN A 132 9.710 -4.819 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 132 8.810 -7.526 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.054 -5.086 -1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.162 -6.484 -0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.179 -7.333 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.541 -6.698 1.032 1.00 0.00 H new ATOM 736 N ARG A 133 6.318 -7.209 -2.498 1.00 0.00 N ATOM 737 CA ARG A 133 4.887 -7.078 -2.529 1.00 0.00 C ATOM 738 C ARG A 133 4.249 -7.681 -1.293 1.00 0.00 C ATOM 739 O ARG A 133 4.634 -8.777 -0.840 1.00 0.00 O ATOM 740 CB ARG A 133 4.305 -7.626 -3.856 1.00 0.00 C ATOM 741 CG ARG A 133 4.715 -9.041 -4.243 1.00 0.00 C ATOM 742 CD ARG A 133 3.857 -10.126 -3.611 1.00 0.00 C ATOM 743 NE ARG A 133 4.364 -11.459 -3.978 1.00 0.00 N ATOM 744 CZ ARG A 133 3.787 -12.637 -3.687 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.683 -12.686 -2.946 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.343 -13.762 -4.114 1.00 0.00 N ATOM 0 H ARG A 133 6.650 -8.117 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 133 4.636 -6.017 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.217 -7.591 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.599 -6.953 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.667 -9.139 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.754 -9.199 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.859 -10.015 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.823 -10.019 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 133 5.237 -11.491 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.267 -11.824 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.253 -13.585 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 133 5.204 -13.730 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.910 -14.660 -3.896 1.00 0.00 H new ATOM 760 N GLU A 134 3.318 -6.962 -0.738 1.00 0.00 N ATOM 761 CA GLU A 134 2.605 -7.378 0.449 1.00 0.00 C ATOM 762 C GLU A 134 1.237 -6.710 0.435 1.00 0.00 C ATOM 763 O GLU A 134 1.034 -5.746 -0.303 1.00 0.00 O ATOM 764 CB GLU A 134 3.369 -7.081 1.757 1.00 0.00 C ATOM 765 CG GLU A 134 3.213 -5.695 2.268 1.00 0.00 C ATOM 766 CD GLU A 134 3.815 -5.486 3.640 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.175 -5.873 4.626 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.909 -4.913 3.767 1.00 0.00 O ATOM 0 H GLU A 134 3.023 -6.054 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 134 2.499 -8.463 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.031 -7.777 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.429 -7.276 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.679 -5.003 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.152 -5.447 2.304 1.00 0.00 H new ATOM 775 N GLU A 135 0.306 -7.260 1.154 1.00 0.00 N ATOM 776 CA GLU A 135 -1.039 -6.766 1.159 1.00 0.00 C ATOM 777 C GLU A 135 -1.269 -5.789 2.309 1.00 0.00 C ATOM 778 O GLU A 135 -0.896 -6.051 3.451 1.00 0.00 O ATOM 779 CB GLU A 135 -2.000 -7.905 1.300 1.00 0.00 C ATOM 780 CG GLU A 135 -3.401 -7.520 0.919 1.00 0.00 C ATOM 781 CD GLU A 135 -4.410 -8.597 1.133 1.00 0.00 C ATOM 782 OE1 GLU A 135 -5.006 -8.663 2.225 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.668 -9.366 0.199 1.00 0.00 O ATOM 0 H GLU A 135 0.458 -8.068 1.757 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.202 -6.245 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.671 -8.735 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.991 -8.260 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.694 -6.643 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.413 -7.230 -0.132 1.00 0.00 H new ATOM 790 N GLN A 136 -1.911 -4.708 1.999 1.00 0.00 N ATOM 791 CA GLN A 136 -2.245 -3.659 2.941 1.00 0.00 C ATOM 792 C GLN A 136 -3.679 -3.275 2.807 1.00 0.00 C ATOM 793 O GLN A 136 -4.296 -3.528 1.788 1.00 0.00 O ATOM 794 CB GLN A 136 -1.370 -2.403 2.794 1.00 0.00 C ATOM 795 CG GLN A 136 -0.111 -2.439 3.624 1.00 0.00 C ATOM 796 CD GLN A 136 1.043 -3.055 2.928 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.889 -3.840 2.038 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.198 -2.772 3.401 1.00 0.00 N ATOM 0 H GLN A 136 -2.234 -4.514 1.051 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.053 -4.074 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.100 -2.280 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.956 -1.528 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.152 -1.422 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.307 -2.992 4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.287 -2.097 4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.030 -3.222 3.019 1.00 0.00 H new ATOM 807 N ASN A 137 -4.203 -2.659 3.817 1.00 0.00 N ATOM 808 CA ASN A 137 -5.585 -2.229 3.813 1.00 0.00 C ATOM 809 C ASN A 137 -5.697 -0.949 3.018 1.00 0.00 C ATOM 810 O ASN A 137 -4.807 -0.106 3.080 1.00 0.00 O ATOM 811 CB ASN A 137 -6.102 -1.991 5.240 1.00 0.00 C ATOM 812 CG ASN A 137 -5.972 -3.190 6.152 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.875 -4.010 6.255 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.858 -3.292 6.832 1.00 0.00 N ATOM 0 H ASN A 137 -3.695 -2.435 4.673 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.191 -3.014 3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.557 -1.155 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.151 -1.697 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.721 -4.074 7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.127 -2.590 6.721 1.00 0.00 H new ATOM 821 N LEU A 138 -6.793 -0.794 2.308 1.00 0.00 N ATOM 822 CA LEU A 138 -7.046 0.384 1.451 1.00 0.00 C ATOM 823 C LEU A 138 -7.099 1.647 2.291 1.00 0.00 C ATOM 824 O LEU A 138 -6.685 2.723 1.872 1.00 0.00 O ATOM 825 CB LEU A 138 -8.384 0.207 0.726 1.00 0.00 C ATOM 826 CG LEU A 138 -8.480 -0.972 -0.239 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.917 -1.188 -0.658 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.633 -0.721 -1.464 1.00 0.00 C ATOM 0 H LEU A 138 -7.550 -1.477 2.297 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.236 0.472 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.168 0.100 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.596 1.121 0.171 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.114 -1.863 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.972 -2.031 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.525 -1.397 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.291 -0.291 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.713 -1.571 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.982 0.180 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.593 -0.590 -1.166 1.00 0.00 H new ATOM 840 N SER A 139 -7.587 1.487 3.485 1.00 0.00 N ATOM 841 CA SER A 139 -7.744 2.568 4.398 1.00 0.00 C ATOM 842 C SER A 139 -6.393 2.884 5.066 1.00 0.00 C ATOM 843 O SER A 139 -6.159 4.003 5.536 1.00 0.00 O ATOM 844 CB SER A 139 -8.775 2.136 5.433 1.00 0.00 C ATOM 845 OG SER A 139 -9.356 3.228 6.118 1.00 0.00 O ATOM 0 H SER A 139 -7.891 0.585 3.853 1.00 0.00 H new ATOM 0 HA SER A 139 -8.079 3.472 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.560 1.563 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.301 1.471 6.155 1.00 0.00 H new ATOM 0 HG SER A 139 -10.010 2.896 6.768 1.00 0.00 H new ATOM 851 N ASP A 140 -5.492 1.906 5.055 1.00 0.00 N ATOM 852 CA ASP A 140 -4.190 2.041 5.722 1.00 0.00 C ATOM 853 C ASP A 140 -3.254 2.740 4.830 1.00 0.00 C ATOM 854 O ASP A 140 -2.390 3.459 5.288 1.00 0.00 O ATOM 855 CB ASP A 140 -3.599 0.686 6.045 1.00 0.00 C ATOM 856 CG ASP A 140 -2.471 0.745 7.068 1.00 0.00 C ATOM 857 OD1 ASP A 140 -2.650 1.367 8.147 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.426 0.107 6.842 1.00 0.00 O ATOM 0 H ASP A 140 -5.635 1.008 4.592 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.344 2.599 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.387 0.035 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.224 0.234 5.127 1.00 0.00 H new ATOM 863 N LEU A 141 -3.439 2.502 3.547 1.00 0.00 N ATOM 864 CA LEU A 141 -2.623 3.099 2.496 1.00 0.00 C ATOM 865 C LEU A 141 -2.527 4.580 2.640 1.00 0.00 C ATOM 866 O LEU A 141 -3.523 5.275 2.876 1.00 0.00 O ATOM 867 CB LEU A 141 -3.159 2.809 1.109 1.00 0.00 C ATOM 868 CG LEU A 141 -3.196 1.375 0.640 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.674 1.350 -0.794 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.830 0.742 0.752 1.00 0.00 C ATOM 0 H LEU A 141 -4.168 1.881 3.195 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.639 2.644 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.174 3.202 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.560 3.376 0.396 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.879 0.802 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.707 0.320 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.671 1.786 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.989 1.926 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.879 -0.291 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.121 1.296 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.503 0.764 1.792 1.00 0.00 H new ATOM 882 N LEU A 142 -1.353 5.060 2.502 1.00 0.00 N ATOM 883 CA LEU A 142 -1.113 6.447 2.597 1.00 0.00 C ATOM 884 C LEU A 142 -0.809 6.951 1.226 1.00 0.00 C ATOM 885 O LEU A 142 -0.479 6.158 0.332 1.00 0.00 O ATOM 886 CB LEU A 142 0.050 6.768 3.547 1.00 0.00 C ATOM 887 CG LEU A 142 -0.064 6.263 4.996 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.299 4.781 5.129 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.758 7.125 5.926 1.00 0.00 C ATOM 0 H LEU A 142 -0.522 4.497 2.318 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.997 6.935 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.962 6.354 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.174 7.851 3.576 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.110 6.347 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.202 4.475 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.373 4.185 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.327 4.627 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.664 6.752 6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.804 7.093 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.399 8.153 5.881 1.00 0.00 H new ATOM 901 N SER A 143 -0.917 8.230 1.049 1.00 0.00 N ATOM 902 CA SER A 143 -0.643 8.864 -0.164 1.00 0.00 C ATOM 903 C SER A 143 0.850 8.663 -0.513 1.00 0.00 C ATOM 904 O SER A 143 1.689 8.562 0.388 1.00 0.00 O ATOM 905 CB SER A 143 -0.982 10.304 0.066 1.00 0.00 C ATOM 906 OG SER A 143 -2.251 10.392 0.730 1.00 0.00 O ATOM 0 H SER A 143 -1.211 8.870 1.786 1.00 0.00 H new ATOM 0 HA SER A 143 -1.214 8.466 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.209 10.780 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.018 10.837 -0.884 1.00 0.00 H new ATOM 0 HG SER A 143 -2.834 9.668 0.419 1.00 0.00 H new ATOM 912 N PRO A 144 1.187 8.558 -1.806 1.00 0.00 N ATOM 913 CA PRO A 144 2.555 8.261 -2.255 1.00 0.00 C ATOM 914 C PRO A 144 3.541 9.370 -1.970 1.00 0.00 C ATOM 915 O PRO A 144 3.177 10.457 -1.512 1.00 0.00 O ATOM 916 CB PRO A 144 2.405 8.092 -3.764 1.00 0.00 C ATOM 917 CG PRO A 144 1.206 8.889 -4.105 1.00 0.00 C ATOM 918 CD PRO A 144 0.276 8.750 -2.939 1.00 0.00 C ATOM 0 HA PRO A 144 2.952 7.390 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.286 8.453 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.277 7.044 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.467 9.934 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.742 8.524 -5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.345 9.637 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.399 7.903 -3.061 1.00 0.00 H new ATOM 926 N ILE A 145 4.784 9.086 -2.253 1.00 0.00 N ATOM 927 CA ILE A 145 5.844 10.044 -2.096 1.00 0.00 C ATOM 928 C ILE A 145 5.739 11.107 -3.173 1.00 0.00 C ATOM 929 O ILE A 145 5.065 10.905 -4.214 1.00 0.00 O ATOM 930 CB ILE A 145 7.244 9.386 -2.181 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.394 8.606 -3.502 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.489 8.488 -0.970 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.802 8.125 -3.781 1.00 0.00 C ATOM 0 H ILE A 145 5.091 8.178 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 145 5.734 10.486 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 145 8.001 10.170 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.725 7.745 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.069 9.242 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.477 8.035 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.433 9.083 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.732 7.705 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.821 7.586 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.475 8.981 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 145 9.125 7.461 -2.979 1.00 0.00 H new ATOM 945 N CYS A 146 6.367 12.212 -2.937 1.00 0.00 N ATOM 946 CA CYS A 146 6.380 13.288 -3.863 1.00 0.00 C ATOM 947 C CYS A 146 7.470 13.016 -4.883 1.00 0.00 C ATOM 948 O CYS A 146 8.612 12.726 -4.515 1.00 0.00 O ATOM 949 CB CYS A 146 6.675 14.579 -3.129 1.00 0.00 C ATOM 950 SG CYS A 146 5.635 14.876 -1.678 1.00 0.00 S ATOM 0 H CYS A 146 6.892 12.392 -2.081 1.00 0.00 H new ATOM 0 HA CYS A 146 5.414 13.378 -4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 146 7.719 14.573 -2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.555 15.411 -3.822 1.00 0.00 H new ATOM 0 HG CYS A 146 5.973 16.003 -1.126 1.00 0.00 H new ATOM 956 N GLU A 147 7.129 13.071 -6.130 1.00 0.00 N ATOM 957 CA GLU A 147 8.082 12.814 -7.179 1.00 0.00 C ATOM 958 C GLU A 147 8.279 14.067 -7.993 1.00 0.00 C ATOM 959 O GLU A 147 9.081 14.924 -7.582 1.00 0.00 O ATOM 960 CB GLU A 147 7.638 11.644 -8.062 1.00 0.00 C ATOM 961 CG GLU A 147 7.511 10.324 -7.318 1.00 0.00 C ATOM 962 CD GLU A 147 7.141 9.182 -8.223 1.00 0.00 C ATOM 963 OE1 GLU A 147 8.046 8.534 -8.782 1.00 0.00 O ATOM 964 OE2 GLU A 147 5.936 8.902 -8.400 1.00 0.00 O ATOM 965 OXT GLU A 147 7.614 14.242 -9.023 1.00 0.00 O ATOM 0 H GLU A 147 6.189 13.294 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 147 9.033 12.529 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 147 6.677 11.888 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.353 11.524 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 147 8.455 10.098 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 147 6.757 10.423 -6.537 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.705 -1.491 1.880 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.072 -3.661 0.731 1.00 0.00 C HETATM 975 N DA2 A1148 13.988 -7.687 -1.194 1.00 0.00 N HETATM 976 CA DA2 A1148 14.437 -7.259 0.124 1.00 0.00 C HETATM 977 CB DA2 A1148 14.077 -5.780 0.343 1.00 0.00 C HETATM 978 CG DA2 A1148 14.342 -5.245 1.743 1.00 0.00 C HETATM 979 CD DA2 A1148 13.983 -3.776 1.839 1.00 0.00 C HETATM 980 NE DA2 A1148 12.581 -3.569 1.539 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.832 -2.554 1.904 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.306 -1.564 2.625 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.587 -2.560 1.525 1.00 0.00 N HETATM 984 C DA2 A1148 13.779 -8.136 1.162 1.00 0.00 C HETATM 985 O DA2 A1148 14.473 -8.814 1.918 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.555 -8.187 1.194 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.170 -1.769 3.615 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.761 -5.813 2.469 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.393 -5.384 1.996 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.203 -3.408 2.841 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.597 -3.201 1.146 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.639 -5.177 -0.371 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 13.020 -5.643 0.114 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.256 -4.146 1.267 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.705 -3.281 -0.222 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.868 -4.384 0.551 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.322 -1.020 0.975 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.873 -1.884 2.465 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.247 -0.753 2.471 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.125 -4.292 0.982 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.149 -8.646 -1.501 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.513 -7.027 -1.810 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.520 -7.355 0.207 1.00 0.00 H new