USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 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 84 ASN : amide:sc= -0.0128 X(o=-1.1,f=-1.6) USER MOD Set 1.2: A 88 SER OG : rot -39:sc= 0.927 USER MOD Set 1.3: A 139 SER OG : rot -30:sc= -2.06! USER MOD Set 2.1: A 127 TYR OH : rot -153:sc= 1.48 USER MOD Set 2.2: A 136 GLN : amide:sc= -3.5! C(o=-2!,f=-11!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 90 GLN : amide:sc= -1.3! X(o=-1.3!,f=-1.5) USER MOD Single : A 91 GLN : amide:sc= -0.535 X(o=-0.53,f=-0.094) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 1.1 (180deg=0.997) USER MOD Single : A 98 CYS SG : rot -9:sc= 0.94 USER MOD Single : A 99 SER OG : rot 114:sc= 0.0499 USER MOD Single : A 103 SER OG : rot -25:sc= 0.0443 USER MOD Single : A 107 CYS SG : rot 90:sc= 1.26 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 180:sc= -0.194 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 152:sc= 0.99 USER MOD Single : A 123 CYS SG : rot -13:sc= -5.17! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0.897 K(o=0.9,f=-2.5!) USER MOD Single : A 137 ASN : amide:sc= -0.0699 X(o=-0.07,f=-0.52) USER MOD Single : A 143 SER OG : rot 180:sc= 0.027 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.553 (180deg=-4.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -6.490 2.073 8.989 1.00 0.00 N ATOM 2 CA ASN A 84 -7.927 2.374 8.964 1.00 0.00 C ATOM 3 C ASN A 84 -8.211 3.762 9.493 1.00 0.00 C ATOM 4 O ASN A 84 -8.917 4.541 8.846 1.00 0.00 O ATOM 5 CB ASN A 84 -8.753 1.353 9.761 1.00 0.00 C ATOM 6 CG ASN A 84 -8.676 -0.043 9.212 1.00 0.00 C ATOM 7 OD1 ASN A 84 -7.811 -0.819 9.587 1.00 0.00 O ATOM 8 ND2 ASN A 84 -9.586 -0.389 8.353 1.00 0.00 N ATOM 0 HA ASN A 84 -8.226 2.317 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.408 1.347 10.795 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.795 1.672 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.593 -1.334 7.970 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.294 0.285 8.061 1.00 0.00 H new ATOM 17 N THR A 85 -7.648 4.068 10.664 1.00 0.00 N ATOM 18 CA THR A 85 -7.854 5.318 11.381 1.00 0.00 C ATOM 19 C THR A 85 -7.716 6.556 10.471 1.00 0.00 C ATOM 20 O THR A 85 -6.652 6.783 9.881 1.00 0.00 O ATOM 21 CB THR A 85 -6.818 5.415 12.509 1.00 0.00 C ATOM 22 OG1 THR A 85 -6.732 4.135 13.172 1.00 0.00 O ATOM 23 CG2 THR A 85 -7.219 6.477 13.525 1.00 0.00 C ATOM 0 H THR A 85 -7.018 3.430 11.150 1.00 0.00 H new ATOM 0 HA THR A 85 -8.872 5.310 11.771 1.00 0.00 H new ATOM 0 HB THR A 85 -5.855 5.692 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.071 4.184 13.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.469 6.527 14.315 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.290 7.446 13.030 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.185 6.219 13.958 1.00 0.00 H new ATOM 31 N ALA A 86 -8.840 7.278 10.308 1.00 0.00 N ATOM 32 CA ALA A 86 -8.942 8.550 9.556 1.00 0.00 C ATOM 33 C ALA A 86 -8.694 8.393 8.057 1.00 0.00 C ATOM 34 O ALA A 86 -8.633 9.376 7.315 1.00 0.00 O ATOM 35 CB ALA A 86 -8.010 9.596 10.142 1.00 0.00 C ATOM 0 H ALA A 86 -9.732 6.986 10.707 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.974 8.883 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.100 10.523 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.278 9.780 11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.982 9.238 10.090 1.00 0.00 H new ATOM 41 N ALA A 87 -8.594 7.175 7.607 1.00 0.00 N ATOM 42 CA ALA A 87 -8.285 6.914 6.222 1.00 0.00 C ATOM 43 C ALA A 87 -9.269 5.953 5.585 1.00 0.00 C ATOM 44 O ALA A 87 -9.007 5.377 4.528 1.00 0.00 O ATOM 45 CB ALA A 87 -6.872 6.410 6.097 1.00 0.00 C ATOM 0 H ALA A 87 -8.722 6.340 8.179 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.375 7.854 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.647 6.215 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.182 7.161 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.762 5.489 6.669 1.00 0.00 H new ATOM 51 N SER A 88 -10.435 5.865 6.165 1.00 0.00 N ATOM 52 CA SER A 88 -11.489 4.980 5.668 1.00 0.00 C ATOM 53 C SER A 88 -12.356 5.723 4.645 1.00 0.00 C ATOM 54 O SER A 88 -13.489 5.341 4.361 1.00 0.00 O ATOM 55 CB SER A 88 -12.342 4.517 6.836 1.00 0.00 C ATOM 56 OG SER A 88 -11.526 3.945 7.852 1.00 0.00 O ATOM 0 H SER A 88 -10.695 6.398 6.995 1.00 0.00 H new ATOM 0 HA SER A 88 -11.040 4.114 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.902 5.360 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.073 3.785 6.493 1.00 0.00 H new ATOM 0 HG SER A 88 -10.816 3.411 7.439 1.00 0.00 H new ATOM 62 N LEU A 89 -11.801 6.772 4.096 1.00 0.00 N ATOM 63 CA LEU A 89 -12.489 7.598 3.128 1.00 0.00 C ATOM 64 C LEU A 89 -11.723 7.659 1.811 1.00 0.00 C ATOM 65 O LEU A 89 -12.029 8.470 0.926 1.00 0.00 O ATOM 66 CB LEU A 89 -12.764 9.004 3.728 1.00 0.00 C ATOM 67 CG LEU A 89 -11.585 9.740 4.419 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.515 10.176 3.438 1.00 0.00 C ATOM 69 CD2 LEU A 89 -12.090 10.928 5.216 1.00 0.00 C ATOM 0 H LEU A 89 -10.853 7.082 4.307 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.454 7.147 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.134 9.643 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.570 8.906 4.455 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.122 9.025 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.715 10.685 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.111 9.302 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.949 10.855 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.248 11.431 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.598 11.624 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.787 10.584 5.980 1.00 0.00 H new ATOM 81 N GLN A 90 -10.756 6.785 1.672 1.00 0.00 N ATOM 82 CA GLN A 90 -9.920 6.767 0.496 1.00 0.00 C ATOM 83 C GLN A 90 -10.443 5.754 -0.490 1.00 0.00 C ATOM 84 O GLN A 90 -11.067 4.770 -0.097 1.00 0.00 O ATOM 85 CB GLN A 90 -8.501 6.381 0.855 1.00 0.00 C ATOM 86 CG GLN A 90 -7.869 7.235 1.923 1.00 0.00 C ATOM 87 CD GLN A 90 -6.432 6.865 2.138 1.00 0.00 C ATOM 88 OE1 GLN A 90 -5.527 7.448 1.550 1.00 0.00 O ATOM 89 NE2 GLN A 90 -6.218 5.856 2.915 1.00 0.00 N ATOM 0 H GLN A 90 -10.527 6.072 2.364 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.932 7.766 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.494 5.343 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.886 6.432 -0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.938 8.285 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.420 7.120 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.000 5.400 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.267 5.515 3.059 1.00 0.00 H new ATOM 98 N GLN A 91 -10.202 5.988 -1.745 1.00 0.00 N ATOM 99 CA GLN A 91 -10.541 5.057 -2.775 1.00 0.00 C ATOM 100 C GLN A 91 -9.345 4.902 -3.679 1.00 0.00 C ATOM 101 O GLN A 91 -8.908 5.844 -4.337 1.00 0.00 O ATOM 102 CB GLN A 91 -11.781 5.486 -3.565 1.00 0.00 C ATOM 103 CG GLN A 91 -12.219 4.479 -4.641 1.00 0.00 C ATOM 104 CD GLN A 91 -12.518 3.093 -4.081 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.640 2.806 -3.680 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.544 2.209 -4.108 1.00 0.00 N ATOM 0 H GLN A 91 -9.759 6.842 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.796 4.100 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.606 5.640 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.581 6.446 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.107 4.859 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.435 4.398 -5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.620 2.478 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.712 1.255 -3.790 1.00 0.00 H new ATOM 115 N TRP A 92 -8.801 3.739 -3.667 1.00 0.00 N ATOM 116 CA TRP A 92 -7.628 3.439 -4.428 1.00 0.00 C ATOM 117 C TRP A 92 -7.974 2.627 -5.649 1.00 0.00 C ATOM 118 O TRP A 92 -9.048 2.015 -5.704 1.00 0.00 O ATOM 119 CB TRP A 92 -6.662 2.669 -3.564 1.00 0.00 C ATOM 120 CG TRP A 92 -6.173 3.436 -2.389 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.657 3.399 -1.116 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.091 4.359 -2.382 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.933 4.240 -0.317 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.961 4.841 -1.073 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.212 4.817 -3.363 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.987 5.757 -0.718 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.249 5.720 -3.010 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.142 6.180 -1.698 1.00 0.00 C ATOM 0 H TRP A 92 -9.158 2.953 -3.123 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.173 4.374 -4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.147 1.757 -3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.808 2.365 -4.170 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.489 2.795 -0.787 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.091 4.395 0.679 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.291 4.465 -4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.901 6.122 0.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.560 6.083 -3.759 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.367 6.891 -1.453 1.00 0.00 H new ATOM 139 N LYS A 93 -7.082 2.636 -6.619 1.00 0.00 N ATOM 140 CA LYS A 93 -7.230 1.851 -7.818 1.00 0.00 C ATOM 141 C LYS A 93 -5.921 1.108 -8.070 1.00 0.00 C ATOM 142 O LYS A 93 -4.886 1.465 -7.513 1.00 0.00 O ATOM 143 CB LYS A 93 -7.568 2.744 -9.027 1.00 0.00 C ATOM 144 CG LYS A 93 -6.439 3.669 -9.447 1.00 0.00 C ATOM 145 CD LYS A 93 -6.853 4.586 -10.582 1.00 0.00 C ATOM 146 CE LYS A 93 -5.698 5.468 -11.033 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.080 6.357 -12.156 1.00 0.00 N ATOM 0 H LYS A 93 -6.229 3.194 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.050 1.145 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.836 2.109 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.446 3.344 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.123 4.268 -8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.579 3.075 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.207 3.990 -11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.686 5.211 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.355 6.073 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.860 4.840 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.264 6.940 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.383 5.781 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.862 6.975 -11.859 1.00 0.00 H new ATOM 161 N VAL A 94 -5.977 0.067 -8.846 1.00 0.00 N ATOM 162 CA VAL A 94 -4.781 -0.664 -9.248 1.00 0.00 C ATOM 163 C VAL A 94 -3.902 0.247 -10.096 1.00 0.00 C ATOM 164 O VAL A 94 -4.416 1.004 -10.932 1.00 0.00 O ATOM 165 CB VAL A 94 -5.144 -1.950 -10.037 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.898 -2.656 -10.551 1.00 0.00 C ATOM 167 CG2 VAL A 94 -5.922 -2.885 -9.148 1.00 0.00 C ATOM 0 H VAL A 94 -6.845 -0.310 -9.226 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.240 -0.971 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.750 -1.661 -10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.188 -3.553 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.348 -1.988 -11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.264 -2.934 -9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.176 -3.788 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.317 -3.151 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.837 -2.394 -8.815 1.00 0.00 H new ATOM 177 N GLY A 95 -2.612 0.210 -9.864 1.00 0.00 N ATOM 178 CA GLY A 95 -1.716 1.056 -10.598 1.00 0.00 C ATOM 179 C GLY A 95 -1.633 2.432 -9.993 1.00 0.00 C ATOM 180 O GLY A 95 -1.171 3.377 -10.634 1.00 0.00 O ATOM 0 H GLY A 95 -2.165 -0.395 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.723 0.606 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.052 1.132 -11.632 1.00 0.00 H new ATOM 184 N ASP A 96 -2.084 2.560 -8.767 1.00 0.00 N ATOM 185 CA ASP A 96 -2.037 3.832 -8.080 1.00 0.00 C ATOM 186 C ASP A 96 -0.862 3.789 -7.178 1.00 0.00 C ATOM 187 O ASP A 96 -0.617 2.761 -6.535 1.00 0.00 O ATOM 188 CB ASP A 96 -3.263 4.032 -7.217 1.00 0.00 C ATOM 189 CG ASP A 96 -3.739 5.481 -7.155 1.00 0.00 C ATOM 190 OD1 ASP A 96 -2.995 6.390 -7.569 1.00 0.00 O ATOM 191 OD2 ASP A 96 -4.876 5.736 -6.700 1.00 0.00 O ATOM 0 H ASP A 96 -2.489 1.798 -8.223 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.985 4.638 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.072 3.409 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.046 3.687 -6.206 1.00 0.00 H new ATOM 196 N LYS A 97 -0.115 4.825 -7.140 1.00 0.00 N ATOM 197 CA LYS A 97 1.009 4.875 -6.273 1.00 0.00 C ATOM 198 C LYS A 97 0.564 5.326 -4.914 1.00 0.00 C ATOM 199 O LYS A 97 -0.331 6.162 -4.795 1.00 0.00 O ATOM 200 CB LYS A 97 2.105 5.759 -6.842 1.00 0.00 C ATOM 201 CG LYS A 97 2.487 5.320 -8.248 1.00 0.00 C ATOM 202 CD LYS A 97 3.873 5.760 -8.659 1.00 0.00 C ATOM 203 CE LYS A 97 3.984 7.255 -8.843 1.00 0.00 C ATOM 204 NZ LYS A 97 5.353 7.655 -9.224 1.00 0.00 N ATOM 0 H LYS A 97 -0.260 5.662 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 97 1.440 3.878 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.768 6.795 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.981 5.720 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.425 4.234 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.762 5.722 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.590 5.438 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.145 5.263 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.282 7.581 -9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.701 7.758 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.385 8.683 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.014 7.396 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.626 7.168 -10.101 1.00 0.00 H new ATOM 218 N CYS A 98 1.136 4.757 -3.908 1.00 0.00 N ATOM 219 CA CYS A 98 0.780 5.064 -2.548 1.00 0.00 C ATOM 220 C CYS A 98 1.997 4.873 -1.644 1.00 0.00 C ATOM 221 O CYS A 98 3.134 4.757 -2.128 1.00 0.00 O ATOM 222 CB CYS A 98 -0.369 4.141 -2.105 1.00 0.00 C ATOM 223 SG CYS A 98 0.004 2.386 -2.233 1.00 0.00 S ATOM 0 H CYS A 98 1.873 4.057 -3.998 1.00 0.00 H new ATOM 0 HA CYS A 98 0.451 6.101 -2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.627 4.372 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.249 4.359 -2.710 1.00 0.00 H new ATOM 0 HG CYS A 98 1.129 2.226 -2.865 1.00 0.00 H new ATOM 229 N SER A 99 1.779 4.875 -0.373 1.00 0.00 N ATOM 230 CA SER A 99 2.800 4.566 0.562 1.00 0.00 C ATOM 231 C SER A 99 2.225 3.539 1.489 1.00 0.00 C ATOM 232 O SER A 99 1.024 3.589 1.813 1.00 0.00 O ATOM 233 CB SER A 99 3.226 5.779 1.348 1.00 0.00 C ATOM 234 OG SER A 99 3.400 6.919 0.500 1.00 0.00 O ATOM 0 H SER A 99 0.876 5.094 0.048 1.00 0.00 H new ATOM 0 HA SER A 99 3.686 4.202 0.042 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.478 6.001 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.159 5.567 1.870 1.00 0.00 H new ATOM 0 HG SER A 99 2.722 7.593 0.715 1.00 0.00 H new ATOM 240 N ALA A 100 3.029 2.630 1.898 1.00 0.00 N ATOM 241 CA ALA A 100 2.578 1.550 2.711 1.00 0.00 C ATOM 242 C ALA A 100 3.542 1.318 3.845 1.00 0.00 C ATOM 243 O ALA A 100 4.693 1.779 3.794 1.00 0.00 O ATOM 244 CB ALA A 100 2.417 0.308 1.859 1.00 0.00 C ATOM 0 H ALA A 100 4.025 2.609 1.680 1.00 0.00 H new ATOM 0 HA ALA A 100 1.609 1.796 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.072 -0.518 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.687 0.499 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.376 0.048 1.410 1.00 0.00 H new ATOM 250 N ILE A 101 3.075 0.649 4.867 1.00 0.00 N ATOM 251 CA ILE A 101 3.889 0.333 6.014 1.00 0.00 C ATOM 252 C ILE A 101 4.506 -1.027 5.783 1.00 0.00 C ATOM 253 O ILE A 101 3.779 -2.019 5.646 1.00 0.00 O ATOM 254 CB ILE A 101 3.044 0.285 7.344 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.619 1.685 7.801 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.794 -0.438 8.475 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.753 2.520 8.375 1.00 0.00 C ATOM 0 H ILE A 101 2.116 0.306 4.928 1.00 0.00 H new ATOM 0 HA ILE A 101 4.645 1.110 6.129 1.00 0.00 H new ATOM 0 HB ILE A 101 2.144 -0.286 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.184 2.216 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.836 1.588 8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.176 -0.448 9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.010 -1.462 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.728 0.083 8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.371 3.496 8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.175 2.013 9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.528 2.650 7.619 1.00 0.00 H new ATOM 269 N TRP A 102 5.814 -1.073 5.723 1.00 0.00 N ATOM 270 CA TRP A 102 6.523 -2.317 5.535 1.00 0.00 C ATOM 271 C TRP A 102 6.323 -3.157 6.756 1.00 0.00 C ATOM 272 O TRP A 102 6.672 -2.732 7.827 1.00 0.00 O ATOM 273 CB TRP A 102 8.017 -2.064 5.339 1.00 0.00 C ATOM 274 CG TRP A 102 8.760 -3.251 4.801 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.240 -4.256 4.056 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.154 -3.537 4.925 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.204 -5.153 3.718 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.390 -4.738 4.231 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.224 -2.906 5.551 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.643 -5.317 4.148 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.471 -3.488 5.465 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.668 -4.680 4.769 1.00 0.00 C ATOM 0 H TRP A 102 6.416 -0.254 5.803 1.00 0.00 H new ATOM 0 HA TRP A 102 6.140 -2.821 4.648 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.149 -1.224 4.657 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.456 -1.772 6.293 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.202 -4.334 3.770 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.059 -6.000 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.081 -1.982 6.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.800 -6.240 3.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.312 -3.011 5.946 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.659 -5.106 4.723 1.00 0.00 H new ATOM 293 N SER A 103 5.794 -4.339 6.607 1.00 0.00 N ATOM 294 CA SER A 103 5.517 -5.191 7.758 1.00 0.00 C ATOM 295 C SER A 103 6.810 -5.622 8.475 1.00 0.00 C ATOM 296 O SER A 103 6.773 -6.089 9.614 1.00 0.00 O ATOM 297 CB SER A 103 4.697 -6.427 7.342 1.00 0.00 C ATOM 298 OG SER A 103 4.188 -7.136 8.477 1.00 0.00 O ATOM 0 H SER A 103 5.542 -4.745 5.706 1.00 0.00 H new ATOM 0 HA SER A 103 4.928 -4.601 8.461 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.868 -6.116 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.321 -7.094 6.747 1.00 0.00 H new ATOM 0 HG SER A 103 4.760 -6.964 9.254 1.00 0.00 H new ATOM 304 N GLU A 104 7.939 -5.471 7.810 1.00 0.00 N ATOM 305 CA GLU A 104 9.198 -5.892 8.376 1.00 0.00 C ATOM 306 C GLU A 104 9.823 -4.841 9.268 1.00 0.00 C ATOM 307 O GLU A 104 10.425 -5.167 10.290 1.00 0.00 O ATOM 308 CB GLU A 104 10.155 -6.283 7.294 1.00 0.00 C ATOM 309 CG GLU A 104 9.611 -7.343 6.378 1.00 0.00 C ATOM 310 CD GLU A 104 9.310 -8.633 7.087 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.224 -9.480 7.214 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.172 -8.833 7.533 1.00 0.00 O ATOM 0 H GLU A 104 8.006 -5.060 6.879 1.00 0.00 H new ATOM 0 HA GLU A 104 8.983 -6.757 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.410 -5.401 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.079 -6.643 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.701 -6.974 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.331 -7.532 5.582 1.00 0.00 H new ATOM 319 N ASP A 105 9.711 -3.587 8.882 1.00 0.00 N ATOM 320 CA ASP A 105 10.354 -2.535 9.677 1.00 0.00 C ATOM 321 C ASP A 105 9.313 -1.620 10.281 1.00 0.00 C ATOM 322 O ASP A 105 9.565 -0.917 11.252 1.00 0.00 O ATOM 323 CB ASP A 105 11.303 -1.725 8.795 1.00 0.00 C ATOM 324 CG ASP A 105 12.242 -0.842 9.582 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.307 -1.325 10.011 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.961 0.339 9.756 1.00 0.00 O ATOM 0 H ASP A 105 9.204 -3.268 8.057 1.00 0.00 H new ATOM 0 HA ASP A 105 10.920 -3.003 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.888 -2.408 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.717 -1.106 8.115 1.00 0.00 H new ATOM 331 N GLY A 106 8.128 -1.666 9.724 1.00 0.00 N ATOM 332 CA GLY A 106 7.026 -0.864 10.226 1.00 0.00 C ATOM 333 C GLY A 106 7.045 0.559 9.708 1.00 0.00 C ATOM 334 O GLY A 106 6.259 1.400 10.160 1.00 0.00 O ATOM 0 H GLY A 106 7.896 -2.250 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.084 -1.335 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.062 -0.849 11.315 1.00 0.00 H new ATOM 338 N CYS A 107 7.949 0.845 8.797 1.00 0.00 N ATOM 339 CA CYS A 107 8.075 2.175 8.252 1.00 0.00 C ATOM 340 C CYS A 107 7.285 2.374 6.971 1.00 0.00 C ATOM 341 O CYS A 107 6.882 1.405 6.322 1.00 0.00 O ATOM 342 CB CYS A 107 9.529 2.546 8.069 1.00 0.00 C ATOM 343 SG CYS A 107 10.424 2.762 9.613 1.00 0.00 S ATOM 0 H CYS A 107 8.611 0.168 8.417 1.00 0.00 H new ATOM 0 HA CYS A 107 7.634 2.853 8.983 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.020 1.771 7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.589 3.470 7.493 1.00 0.00 H new ATOM 0 HG CYS A 107 10.941 1.626 9.977 1.00 0.00 H new ATOM 349 N ILE A 108 7.069 3.630 6.630 1.00 0.00 N ATOM 350 CA ILE A 108 6.418 4.020 5.396 1.00 0.00 C ATOM 351 C ILE A 108 7.408 3.925 4.252 1.00 0.00 C ATOM 352 O ILE A 108 8.527 4.443 4.337 1.00 0.00 O ATOM 353 CB ILE A 108 5.917 5.493 5.446 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.884 5.709 6.544 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.329 5.886 4.106 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.553 5.069 6.268 1.00 0.00 C ATOM 0 H ILE A 108 7.346 4.420 7.213 1.00 0.00 H new ATOM 0 HA ILE A 108 5.569 3.352 5.255 1.00 0.00 H new ATOM 0 HB ILE A 108 6.777 6.123 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.277 5.315 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.738 6.780 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.981 6.918 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.091 5.793 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.491 5.230 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.874 5.269 7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.135 5.480 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.683 3.992 6.157 1.00 0.00 H new ATOM 368 N TYR A 109 7.007 3.274 3.220 1.00 0.00 N ATOM 369 CA TYR A 109 7.780 3.174 2.010 1.00 0.00 C ATOM 370 C TYR A 109 6.880 3.400 0.822 1.00 0.00 C ATOM 371 O TYR A 109 5.670 3.132 0.903 1.00 0.00 O ATOM 372 CB TYR A 109 8.453 1.817 1.897 1.00 0.00 C ATOM 373 CG TYR A 109 9.565 1.595 2.879 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.858 1.969 2.577 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.325 0.992 4.097 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.881 1.747 3.464 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.336 0.769 4.989 1.00 0.00 C ATOM 378 CZ TYR A 109 11.612 1.146 4.670 1.00 0.00 C ATOM 379 OH TYR A 109 12.627 0.918 5.558 1.00 0.00 O ATOM 0 H TYR A 109 6.115 2.781 3.181 1.00 0.00 H new ATOM 0 HA TYR A 109 8.560 3.935 2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.702 1.039 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.848 1.703 0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.068 2.443 1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.319 0.691 4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.890 2.042 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.129 0.299 5.939 1.00 0.00 H new ATOM 0 HH TYR A 109 12.268 0.487 6.362 1.00 0.00 H new ATOM 389 N PRO A 110 7.425 3.928 -0.280 1.00 0.00 N ATOM 390 CA PRO A 110 6.652 4.145 -1.495 1.00 0.00 C ATOM 391 C PRO A 110 6.317 2.814 -2.173 1.00 0.00 C ATOM 392 O PRO A 110 7.202 1.988 -2.436 1.00 0.00 O ATOM 393 CB PRO A 110 7.595 4.977 -2.375 1.00 0.00 C ATOM 394 CG PRO A 110 8.967 4.647 -1.892 1.00 0.00 C ATOM 395 CD PRO A 110 8.839 4.347 -0.428 1.00 0.00 C ATOM 0 HA PRO A 110 5.697 4.636 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.476 4.725 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.388 6.043 -2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.373 3.790 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.649 5.481 -2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.525 3.558 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.064 5.222 0.182 1.00 0.00 H new ATOM 403 N ALA A 111 5.065 2.605 -2.454 1.00 0.00 N ATOM 404 CA ALA A 111 4.630 1.387 -3.065 1.00 0.00 C ATOM 405 C ALA A 111 3.487 1.658 -3.996 1.00 0.00 C ATOM 406 O ALA A 111 2.715 2.572 -3.778 1.00 0.00 O ATOM 407 CB ALA A 111 4.210 0.385 -2.011 1.00 0.00 C ATOM 0 H ALA A 111 4.318 3.274 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 111 5.461 0.969 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.882 -0.535 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.054 0.170 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.391 0.798 -1.423 1.00 0.00 H new ATOM 413 N THR A 112 3.368 0.885 -5.006 1.00 0.00 N ATOM 414 CA THR A 112 2.308 1.072 -5.946 1.00 0.00 C ATOM 415 C THR A 112 1.356 -0.111 -5.830 1.00 0.00 C ATOM 416 O THR A 112 1.787 -1.217 -5.507 1.00 0.00 O ATOM 417 CB THR A 112 2.886 1.190 -7.369 1.00 0.00 C ATOM 418 OG1 THR A 112 3.954 2.175 -7.368 1.00 0.00 O ATOM 419 CG2 THR A 112 1.822 1.631 -8.360 1.00 0.00 C ATOM 0 H THR A 112 3.993 0.106 -5.213 1.00 0.00 H new ATOM 0 HA THR A 112 1.763 1.992 -5.736 1.00 0.00 H new ATOM 0 HB THR A 112 3.260 0.211 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.327 2.254 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.260 1.705 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.012 0.901 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.429 2.603 -8.063 1.00 0.00 H new ATOM 427 N ILE A 113 0.089 0.119 -6.070 1.00 0.00 N ATOM 428 CA ILE A 113 -0.905 -0.911 -5.920 1.00 0.00 C ATOM 429 C ILE A 113 -0.874 -1.873 -7.096 1.00 0.00 C ATOM 430 O ILE A 113 -1.037 -1.467 -8.251 1.00 0.00 O ATOM 431 CB ILE A 113 -2.298 -0.288 -5.785 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.299 0.691 -4.612 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.343 -1.375 -5.578 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.548 1.500 -4.491 1.00 0.00 C ATOM 0 H ILE A 113 -0.280 1.021 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.678 -1.472 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.547 0.250 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.150 0.133 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.450 1.367 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.329 -0.919 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.337 -2.053 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.113 -1.933 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.467 2.169 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.690 2.088 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.400 0.835 -4.353 1.00 0.00 H new ATOM 446 N ALA A 114 -0.659 -3.127 -6.802 1.00 0.00 N ATOM 447 CA ALA A 114 -0.601 -4.159 -7.807 1.00 0.00 C ATOM 448 C ALA A 114 -1.972 -4.756 -8.041 1.00 0.00 C ATOM 449 O ALA A 114 -2.341 -5.057 -9.175 1.00 0.00 O ATOM 450 CB ALA A 114 0.377 -5.244 -7.399 1.00 0.00 C ATOM 0 H ALA A 114 -0.518 -3.466 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.256 -3.707 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.408 -6.015 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.370 -4.812 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.057 -5.687 -6.456 1.00 0.00 H new ATOM 456 N SER A 115 -2.729 -4.947 -6.977 1.00 0.00 N ATOM 457 CA SER A 115 -4.058 -5.543 -7.082 1.00 0.00 C ATOM 458 C SER A 115 -4.861 -5.154 -5.857 1.00 0.00 C ATOM 459 O SER A 115 -4.277 -4.942 -4.804 1.00 0.00 O ATOM 460 CB SER A 115 -3.951 -7.074 -7.134 1.00 0.00 C ATOM 461 OG SER A 115 -3.062 -7.517 -8.165 1.00 0.00 O ATOM 0 H SER A 115 -2.451 -4.700 -6.027 1.00 0.00 H new ATOM 0 HA SER A 115 -4.541 -5.186 -7.991 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.602 -7.445 -6.171 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.940 -7.501 -7.301 1.00 0.00 H new ATOM 0 HG SER A 115 -3.021 -8.496 -8.163 1.00 0.00 H new ATOM 467 N ILE A 116 -6.169 -5.039 -5.992 1.00 0.00 N ATOM 468 CA ILE A 116 -7.035 -4.703 -4.887 1.00 0.00 C ATOM 469 C ILE A 116 -8.129 -5.748 -4.731 1.00 0.00 C ATOM 470 O ILE A 116 -8.729 -6.190 -5.713 1.00 0.00 O ATOM 471 CB ILE A 116 -7.712 -3.333 -5.111 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.677 -2.222 -5.208 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.723 -3.040 -4.010 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.255 -0.911 -5.604 1.00 0.00 C ATOM 0 H ILE A 116 -6.659 -5.177 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.416 -4.667 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.248 -3.375 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.178 -2.115 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.914 -2.508 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.186 -2.070 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.491 -3.814 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.216 -3.027 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.463 -0.164 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.729 -1.003 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.997 -0.603 -4.868 1.00 0.00 H new ATOM 486 N ASP A 117 -8.376 -6.134 -3.515 1.00 0.00 N ATOM 487 CA ASP A 117 -9.459 -7.013 -3.193 1.00 0.00 C ATOM 488 C ASP A 117 -10.438 -6.196 -2.405 1.00 0.00 C ATOM 489 O ASP A 117 -10.237 -5.944 -1.215 1.00 0.00 O ATOM 490 CB ASP A 117 -9.015 -8.207 -2.361 1.00 0.00 C ATOM 491 CG ASP A 117 -10.091 -9.263 -2.276 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.093 -9.075 -1.566 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.957 -10.304 -2.952 1.00 0.00 O ATOM 0 H ASP A 117 -7.823 -5.843 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.887 -7.418 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.115 -8.640 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.753 -7.873 -1.357 1.00 0.00 H new ATOM 498 N PHE A 118 -11.459 -5.733 -3.063 1.00 0.00 N ATOM 499 CA PHE A 118 -12.434 -4.863 -2.443 1.00 0.00 C ATOM 500 C PHE A 118 -13.251 -5.589 -1.387 1.00 0.00 C ATOM 501 O PHE A 118 -13.801 -4.962 -0.484 1.00 0.00 O ATOM 502 CB PHE A 118 -13.339 -4.213 -3.481 1.00 0.00 C ATOM 503 CG PHE A 118 -12.621 -3.306 -4.451 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.222 -2.027 -4.068 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.357 -3.722 -5.744 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.577 -1.191 -4.961 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.715 -2.888 -6.638 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.325 -1.622 -6.247 1.00 0.00 C ATOM 0 H PHE A 118 -11.646 -5.943 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.879 -4.072 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.848 -4.996 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.109 -3.638 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.419 -1.685 -3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.657 -4.711 -6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.271 -0.202 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.518 -3.226 -7.644 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.823 -0.970 -6.947 1.00 0.00 H new ATOM 518 N LYS A 119 -13.334 -6.905 -1.498 1.00 0.00 N ATOM 519 CA LYS A 119 -14.080 -7.690 -0.544 1.00 0.00 C ATOM 520 C LYS A 119 -13.343 -7.778 0.782 1.00 0.00 C ATOM 521 O LYS A 119 -13.972 -7.753 1.851 1.00 0.00 O ATOM 522 CB LYS A 119 -14.401 -9.067 -1.107 1.00 0.00 C ATOM 523 CG LYS A 119 -15.319 -9.019 -2.323 1.00 0.00 C ATOM 524 CD LYS A 119 -16.708 -8.504 -1.955 1.00 0.00 C ATOM 525 CE LYS A 119 -17.618 -8.355 -3.171 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.920 -9.640 -3.848 1.00 0.00 N ATOM 0 H LYS A 119 -12.892 -7.446 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.029 -7.188 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.472 -9.566 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.870 -9.670 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.881 -8.375 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.402 -10.015 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.169 -9.188 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.614 -7.540 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.553 -7.889 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.148 -7.679 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.541 -9.465 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.035 -10.077 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.396 -10.280 -3.181 1.00 0.00 H new ATOM 540 N ARG A 120 -12.024 -7.858 0.724 1.00 0.00 N ATOM 541 CA ARG A 120 -11.228 -7.854 1.945 1.00 0.00 C ATOM 542 C ARG A 120 -10.888 -6.427 2.355 1.00 0.00 C ATOM 543 O ARG A 120 -10.385 -6.201 3.456 1.00 0.00 O ATOM 544 CB ARG A 120 -9.885 -8.542 1.742 1.00 0.00 C ATOM 545 CG ARG A 120 -9.877 -10.008 1.404 1.00 0.00 C ATOM 546 CD ARG A 120 -8.428 -10.447 1.237 1.00 0.00 C ATOM 547 NE ARG A 120 -8.269 -11.867 0.921 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.075 -12.477 0.765 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.931 -11.783 0.863 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.028 -13.773 0.498 1.00 0.00 N ATOM 0 H ARG A 120 -11.486 -7.926 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.826 -8.370 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.359 -8.015 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.302 -8.408 2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.360 -10.583 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.438 -10.190 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.969 -9.855 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.884 -10.227 2.156 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.112 -12.430 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.957 -10.782 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.035 -12.256 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.892 -14.307 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.127 -14.237 0.380 1.00 0.00 H new ATOM 564 N GLU A 121 -11.193 -5.473 1.472 1.00 0.00 N ATOM 565 CA GLU A 121 -10.801 -4.064 1.610 1.00 0.00 C ATOM 566 C GLU A 121 -9.251 -3.973 1.662 1.00 0.00 C ATOM 567 O GLU A 121 -8.670 -3.047 2.229 1.00 0.00 O ATOM 568 CB GLU A 121 -11.458 -3.407 2.851 1.00 0.00 C ATOM 569 CG GLU A 121 -11.301 -1.878 2.911 1.00 0.00 C ATOM 570 CD GLU A 121 -11.911 -1.246 4.136 1.00 0.00 C ATOM 571 OE1 GLU A 121 -11.238 -1.149 5.174 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.079 -0.812 4.070 1.00 0.00 O ATOM 0 H GLU A 121 -11.729 -5.659 0.625 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.160 -3.507 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.520 -3.653 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.023 -3.841 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.240 -1.631 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.759 -1.441 2.023 1.00 0.00 H new ATOM 579 N THR A 122 -8.587 -4.912 1.030 1.00 0.00 N ATOM 580 CA THR A 122 -7.153 -4.940 1.051 1.00 0.00 C ATOM 581 C THR A 122 -6.597 -4.904 -0.357 1.00 0.00 C ATOM 582 O THR A 122 -7.316 -5.111 -1.317 1.00 0.00 O ATOM 583 CB THR A 122 -6.602 -6.169 1.814 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.073 -7.377 1.217 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.014 -6.139 3.275 1.00 0.00 C ATOM 0 H THR A 122 -9.022 -5.665 0.496 1.00 0.00 H new ATOM 0 HA THR A 122 -6.825 -4.049 1.587 1.00 0.00 H new ATOM 0 HB THR A 122 -5.514 -6.132 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.426 -8.095 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.612 -7.015 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.625 -5.236 3.744 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.102 -6.145 3.347 1.00 0.00 H new ATOM 593 N CYS A 123 -5.357 -4.584 -0.474 1.00 0.00 N ATOM 594 CA CYS A 123 -4.698 -4.518 -1.732 1.00 0.00 C ATOM 595 C CYS A 123 -3.248 -4.878 -1.586 1.00 0.00 C ATOM 596 O CYS A 123 -2.665 -4.670 -0.541 1.00 0.00 O ATOM 597 CB CYS A 123 -4.849 -3.129 -2.298 1.00 0.00 C ATOM 598 SG CYS A 123 -4.415 -1.840 -1.127 1.00 0.00 S ATOM 0 H CYS A 123 -4.758 -4.355 0.319 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.152 -5.235 -2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.220 -3.034 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.880 -2.985 -2.622 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.316 -2.351 0.064 1.00 0.00 H new ATOM 604 N VAL A 124 -2.677 -5.388 -2.624 1.00 0.00 N ATOM 605 CA VAL A 124 -1.297 -5.751 -2.619 1.00 0.00 C ATOM 606 C VAL A 124 -0.528 -4.604 -3.193 1.00 0.00 C ATOM 607 O VAL A 124 -0.891 -4.079 -4.259 1.00 0.00 O ATOM 608 CB VAL A 124 -1.024 -7.024 -3.467 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.451 -7.411 -3.416 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.890 -8.180 -3.000 1.00 0.00 C ATOM 0 H VAL A 124 -3.156 -5.567 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.993 -5.973 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.281 -6.796 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.614 -8.305 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.055 -6.594 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.739 -7.611 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.681 -9.060 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.670 -8.401 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.941 -7.911 -3.100 1.00 0.00 H new ATOM 620 N VAL A 125 0.504 -4.208 -2.521 1.00 0.00 N ATOM 621 CA VAL A 125 1.300 -3.122 -2.964 1.00 0.00 C ATOM 622 C VAL A 125 2.702 -3.614 -3.220 1.00 0.00 C ATOM 623 O VAL A 125 3.182 -4.544 -2.561 1.00 0.00 O ATOM 624 CB VAL A 125 1.335 -1.974 -1.905 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.066 -1.439 -1.628 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.999 -2.438 -0.600 1.00 0.00 C ATOM 0 H VAL A 125 0.815 -4.633 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 125 0.864 -2.723 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 125 1.935 -1.165 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.011 -0.641 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.495 -1.049 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.694 -2.244 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.008 -1.616 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.439 -3.276 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.023 -2.752 -0.804 1.00 0.00 H new ATOM 636 N VAL A 126 3.321 -3.040 -4.203 1.00 0.00 N ATOM 637 CA VAL A 126 4.664 -3.365 -4.555 1.00 0.00 C ATOM 638 C VAL A 126 5.532 -2.191 -4.234 1.00 0.00 C ATOM 639 O VAL A 126 5.337 -1.102 -4.787 1.00 0.00 O ATOM 640 CB VAL A 126 4.816 -3.696 -6.054 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.281 -3.964 -6.392 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.960 -4.888 -6.424 1.00 0.00 C ATOM 0 H VAL A 126 2.900 -2.321 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 126 4.955 -4.250 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 126 4.478 -2.838 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.373 -4.196 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.875 -3.080 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.642 -4.807 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.080 -5.107 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.269 -5.754 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.914 -4.663 -6.216 1.00 0.00 H new ATOM 652 N TYR A 127 6.462 -2.396 -3.361 1.00 0.00 N ATOM 653 CA TYR A 127 7.365 -1.357 -2.941 1.00 0.00 C ATOM 654 C TYR A 127 8.306 -0.979 -4.057 1.00 0.00 C ATOM 655 O TYR A 127 9.044 -1.831 -4.601 1.00 0.00 O ATOM 656 CB TYR A 127 8.119 -1.771 -1.705 1.00 0.00 C ATOM 657 CG TYR A 127 7.218 -1.995 -0.527 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.799 -0.925 0.240 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.785 -3.274 -0.172 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.984 -1.104 1.315 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.968 -3.462 0.909 1.00 0.00 C ATOM 662 CZ TYR A 127 5.568 -2.364 1.653 1.00 0.00 C ATOM 663 OH TYR A 127 4.726 -2.513 2.718 1.00 0.00 O ATOM 0 H TYR A 127 6.624 -3.296 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 127 6.777 -0.474 -2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.674 -2.686 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.851 -1.003 -1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.124 0.072 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.099 -4.125 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.666 -0.254 1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.639 -4.454 1.179 1.00 0.00 H new ATOM 0 HH TYR A 127 4.847 -3.404 3.108 1.00 0.00 H new ATOM 673 N THR A 128 8.259 0.275 -4.398 1.00 0.00 N ATOM 674 CA THR A 128 9.012 0.835 -5.473 1.00 0.00 C ATOM 675 C THR A 128 10.515 0.722 -5.219 1.00 0.00 C ATOM 676 O THR A 128 11.006 1.046 -4.131 1.00 0.00 O ATOM 677 CB THR A 128 8.617 2.306 -5.639 1.00 0.00 C ATOM 678 OG1 THR A 128 7.184 2.384 -5.788 1.00 0.00 O ATOM 679 CG2 THR A 128 9.289 2.900 -6.856 1.00 0.00 C ATOM 0 H THR A 128 7.674 0.957 -3.916 1.00 0.00 H new ATOM 0 HA THR A 128 8.790 0.280 -6.385 1.00 0.00 H new ATOM 0 HB THR A 128 8.936 2.869 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.917 3.321 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.997 3.945 -6.959 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.371 2.835 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.984 2.349 -7.746 1.00 0.00 H new ATOM 687 N GLY A 129 11.224 0.237 -6.218 1.00 0.00 N ATOM 688 CA GLY A 129 12.651 0.092 -6.128 1.00 0.00 C ATOM 689 C GLY A 129 13.058 -1.231 -5.525 1.00 0.00 C ATOM 690 O GLY A 129 14.170 -1.698 -5.739 1.00 0.00 O ATOM 0 H GLY A 129 10.825 -0.064 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.086 0.184 -7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.059 0.904 -5.525 1.00 0.00 H new ATOM 694 N TYR A 130 12.165 -1.845 -4.780 1.00 0.00 N ATOM 695 CA TYR A 130 12.486 -3.098 -4.119 1.00 0.00 C ATOM 696 C TYR A 130 11.881 -4.278 -4.842 1.00 0.00 C ATOM 697 O TYR A 130 12.520 -5.321 -4.996 1.00 0.00 O ATOM 698 CB TYR A 130 12.030 -3.090 -2.663 1.00 0.00 C ATOM 699 CG TYR A 130 12.627 -1.978 -1.848 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.918 -2.072 -1.374 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.900 -0.836 -1.551 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.475 -1.068 -0.621 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.446 0.177 -0.798 1.00 0.00 C ATOM 704 CZ TYR A 130 13.739 0.055 -0.334 1.00 0.00 C ATOM 705 OH TYR A 130 14.304 1.059 0.428 1.00 0.00 O ATOM 0 H TYR A 130 11.218 -1.504 -4.615 1.00 0.00 H new ATOM 0 HA TYR A 130 13.571 -3.200 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.944 -3.008 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.290 -4.044 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.502 -2.952 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.888 -0.740 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.487 -1.161 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.867 1.060 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 130 13.657 1.786 0.542 1.00 0.00 H new ATOM 715 N GLY A 131 10.651 -4.127 -5.272 1.00 0.00 N ATOM 716 CA GLY A 131 9.985 -5.201 -5.957 1.00 0.00 C ATOM 717 C GLY A 131 9.367 -6.186 -4.991 1.00 0.00 C ATOM 718 O GLY A 131 9.108 -7.347 -5.340 1.00 0.00 O ATOM 0 H GLY A 131 10.098 -3.278 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.210 -4.793 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.697 -5.720 -6.599 1.00 0.00 H new ATOM 722 N ASN A 132 9.177 -5.742 -3.773 1.00 0.00 N ATOM 723 CA ASN A 132 8.507 -6.538 -2.759 1.00 0.00 C ATOM 724 C ASN A 132 7.049 -6.268 -2.826 1.00 0.00 C ATOM 725 O ASN A 132 6.645 -5.174 -3.199 1.00 0.00 O ATOM 726 CB ASN A 132 8.948 -6.180 -1.354 1.00 0.00 C ATOM 727 CG ASN A 132 10.241 -6.787 -0.876 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.174 -7.068 -1.640 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.312 -6.955 0.412 1.00 0.00 N ATOM 0 H ASN A 132 9.479 -4.822 -3.451 1.00 0.00 H new ATOM 0 HA ASN A 132 8.755 -7.581 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.037 -5.095 -1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.158 -6.475 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.162 -7.332 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.518 -6.709 1.003 1.00 0.00 H new ATOM 736 N ARG A 133 6.269 -7.210 -2.431 1.00 0.00 N ATOM 737 CA ARG A 133 4.854 -7.056 -2.439 1.00 0.00 C ATOM 738 C ARG A 133 4.282 -7.543 -1.133 1.00 0.00 C ATOM 739 O ARG A 133 4.762 -8.530 -0.571 1.00 0.00 O ATOM 740 CB ARG A 133 4.221 -7.779 -3.665 1.00 0.00 C ATOM 741 CG ARG A 133 4.422 -9.309 -3.747 1.00 0.00 C ATOM 742 CD ARG A 133 3.443 -10.088 -2.863 1.00 0.00 C ATOM 743 NE ARG A 133 3.664 -11.534 -2.928 1.00 0.00 N ATOM 744 CZ ARG A 133 2.914 -12.462 -2.312 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.906 -12.096 -1.527 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.204 -13.754 -2.456 1.00 0.00 N ATOM 0 H ARG A 133 6.594 -8.115 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 133 4.608 -5.999 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.150 -7.576 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.630 -7.333 -4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.304 -9.631 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.443 -9.552 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.544 -9.753 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.422 -9.865 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 133 4.452 -11.863 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.699 -11.107 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.339 -12.805 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.995 -14.038 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.635 -14.460 -1.988 1.00 0.00 H new ATOM 760 N GLU A 134 3.324 -6.849 -0.634 1.00 0.00 N ATOM 761 CA GLU A 134 2.614 -7.272 0.537 1.00 0.00 C ATOM 762 C GLU A 134 1.231 -6.669 0.491 1.00 0.00 C ATOM 763 O GLU A 134 0.997 -5.721 -0.270 1.00 0.00 O ATOM 764 CB GLU A 134 3.338 -6.985 1.859 1.00 0.00 C ATOM 765 CG GLU A 134 3.148 -5.619 2.398 1.00 0.00 C ATOM 766 CD GLU A 134 3.702 -5.457 3.790 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.095 -5.999 4.736 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.755 -4.813 3.977 1.00 0.00 O ATOM 0 H GLU A 134 3.002 -5.963 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 134 2.551 -8.360 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 134 2.997 -7.703 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.405 -7.157 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.630 -4.901 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.084 -5.381 2.405 1.00 0.00 H new ATOM 775 N GLU A 135 0.318 -7.257 1.192 1.00 0.00 N ATOM 776 CA GLU A 135 -1.043 -6.836 1.148 1.00 0.00 C ATOM 777 C GLU A 135 -1.369 -5.930 2.326 1.00 0.00 C ATOM 778 O GLU A 135 -1.118 -6.273 3.486 1.00 0.00 O ATOM 779 CB GLU A 135 -1.934 -8.038 1.154 1.00 0.00 C ATOM 780 CG GLU A 135 -3.317 -7.770 0.620 1.00 0.00 C ATOM 781 CD GLU A 135 -4.160 -9.014 0.531 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.899 -9.861 -0.335 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.089 -9.181 1.356 1.00 0.00 O ATOM 0 H GLU A 135 0.496 -8.046 1.814 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.207 -6.267 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.471 -8.825 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.015 -8.414 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.815 -7.044 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.238 -7.319 -0.369 1.00 0.00 H new ATOM 790 N GLN A 136 -1.951 -4.821 2.017 1.00 0.00 N ATOM 791 CA GLN A 136 -2.323 -3.794 2.978 1.00 0.00 C ATOM 792 C GLN A 136 -3.763 -3.464 2.825 1.00 0.00 C ATOM 793 O GLN A 136 -4.352 -3.771 1.813 1.00 0.00 O ATOM 794 CB GLN A 136 -1.505 -2.498 2.819 1.00 0.00 C ATOM 795 CG GLN A 136 -0.241 -2.456 3.644 1.00 0.00 C ATOM 796 CD GLN A 136 0.939 -3.033 2.946 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.811 -3.854 2.078 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.096 -2.659 3.387 1.00 0.00 N ATOM 0 H GLN A 136 -2.197 -4.579 1.057 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.114 -4.202 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.243 -2.374 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.133 -1.650 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.025 -1.422 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.405 -2.999 4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.158 -1.958 4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.946 -3.065 2.996 1.00 0.00 H new ATOM 807 N ASN A 137 -4.327 -2.831 3.801 1.00 0.00 N ATOM 808 CA ASN A 137 -5.718 -2.450 3.722 1.00 0.00 C ATOM 809 C ASN A 137 -5.821 -1.157 2.946 1.00 0.00 C ATOM 810 O ASN A 137 -4.927 -0.323 3.025 1.00 0.00 O ATOM 811 CB ASN A 137 -6.336 -2.253 5.114 1.00 0.00 C ATOM 812 CG ASN A 137 -6.180 -3.460 6.037 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.012 -4.376 6.043 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.147 -3.459 6.838 1.00 0.00 N ATOM 0 H ASN A 137 -3.856 -2.563 4.665 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.265 -3.250 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.875 -1.385 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.397 -2.029 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.009 -4.229 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.479 -2.689 6.808 1.00 0.00 H new ATOM 821 N LEU A 138 -6.900 -0.981 2.205 1.00 0.00 N ATOM 822 CA LEU A 138 -7.149 0.260 1.440 1.00 0.00 C ATOM 823 C LEU A 138 -7.227 1.441 2.407 1.00 0.00 C ATOM 824 O LEU A 138 -6.775 2.550 2.128 1.00 0.00 O ATOM 825 CB LEU A 138 -8.483 0.143 0.681 1.00 0.00 C ATOM 826 CG LEU A 138 -8.591 -0.998 -0.325 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.030 -1.170 -0.770 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.721 -0.718 -1.526 1.00 0.00 C ATOM 0 H LEU A 138 -7.634 -1.682 2.107 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.338 0.414 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.284 0.031 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.660 1.081 0.155 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.253 -1.916 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.094 -1.988 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.654 -1.397 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.379 -0.249 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.807 -1.540 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.044 0.208 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.683 -0.620 -1.208 1.00 0.00 H new ATOM 840 N SER A 139 -7.759 1.149 3.563 1.00 0.00 N ATOM 841 CA SER A 139 -7.955 2.103 4.623 1.00 0.00 C ATOM 842 C SER A 139 -6.631 2.324 5.390 1.00 0.00 C ATOM 843 O SER A 139 -6.519 3.185 6.264 1.00 0.00 O ATOM 844 CB SER A 139 -9.008 1.517 5.542 1.00 0.00 C ATOM 845 OG SER A 139 -9.571 2.471 6.417 1.00 0.00 O ATOM 0 H SER A 139 -8.079 0.210 3.801 1.00 0.00 H new ATOM 0 HA SER A 139 -8.273 3.070 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.800 1.072 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.563 0.713 6.128 1.00 0.00 H new ATOM 0 HG SER A 139 -8.907 3.163 6.617 1.00 0.00 H new ATOM 851 N ASP A 140 -5.654 1.518 5.076 1.00 0.00 N ATOM 852 CA ASP A 140 -4.340 1.591 5.709 1.00 0.00 C ATOM 853 C ASP A 140 -3.307 2.206 4.817 1.00 0.00 C ATOM 854 O ASP A 140 -2.236 2.580 5.283 1.00 0.00 O ATOM 855 CB ASP A 140 -3.869 0.225 6.194 1.00 0.00 C ATOM 856 CG ASP A 140 -4.373 -0.105 7.570 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.585 -0.102 7.786 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.548 -0.325 8.488 1.00 0.00 O ATOM 0 H ASP A 140 -5.734 0.784 4.372 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.461 2.243 6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.205 -0.540 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.779 0.200 6.194 1.00 0.00 H new ATOM 863 N LEU A 141 -3.603 2.294 3.543 1.00 0.00 N ATOM 864 CA LEU A 141 -2.697 2.926 2.592 1.00 0.00 C ATOM 865 C LEU A 141 -2.565 4.404 2.865 1.00 0.00 C ATOM 866 O LEU A 141 -3.520 5.065 3.321 1.00 0.00 O ATOM 867 CB LEU A 141 -3.157 2.736 1.156 1.00 0.00 C ATOM 868 CG LEU A 141 -3.218 1.321 0.623 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.596 1.347 -0.841 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.893 0.624 0.820 1.00 0.00 C ATOM 0 H LEU A 141 -4.465 1.937 3.132 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.730 2.440 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.150 3.175 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.492 3.310 0.511 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.976 0.764 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.640 0.327 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.571 1.820 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.850 1.913 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.955 -0.392 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.113 1.169 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.653 0.592 1.883 1.00 0.00 H new ATOM 882 N LEU A 142 -1.402 4.924 2.605 1.00 0.00 N ATOM 883 CA LEU A 142 -1.154 6.315 2.802 1.00 0.00 C ATOM 884 C LEU A 142 -0.848 6.966 1.485 1.00 0.00 C ATOM 885 O LEU A 142 -0.500 6.281 0.505 1.00 0.00 O ATOM 886 CB LEU A 142 -0.020 6.578 3.806 1.00 0.00 C ATOM 887 CG LEU A 142 -0.216 6.045 5.234 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.162 4.574 5.354 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.518 6.908 6.247 1.00 0.00 C ATOM 0 H LEU A 142 -0.604 4.396 2.252 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.057 6.751 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.896 6.143 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.138 7.655 3.865 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.280 6.108 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.007 4.241 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.461 3.982 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.210 4.445 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.361 6.507 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.584 6.909 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.136 7.928 6.201 1.00 0.00 H new ATOM 901 N SER A 143 -0.967 8.263 1.460 1.00 0.00 N ATOM 902 CA SER A 143 -0.745 9.057 0.333 1.00 0.00 C ATOM 903 C SER A 143 0.719 8.946 -0.117 1.00 0.00 C ATOM 904 O SER A 143 1.633 8.954 0.715 1.00 0.00 O ATOM 905 CB SER A 143 -1.057 10.445 0.771 1.00 0.00 C ATOM 906 OG SER A 143 -2.334 10.494 1.412 1.00 0.00 O ATOM 0 H SER A 143 -1.237 8.804 2.282 1.00 0.00 H new ATOM 0 HA SER A 143 -1.358 8.751 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.286 10.798 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.050 11.114 -0.089 1.00 0.00 H new ATOM 0 HG SER A 143 -2.523 11.413 1.695 1.00 0.00 H new ATOM 912 N PRO A 144 0.957 8.815 -1.418 1.00 0.00 N ATOM 913 CA PRO A 144 2.304 8.651 -1.968 1.00 0.00 C ATOM 914 C PRO A 144 3.084 9.945 -2.046 1.00 0.00 C ATOM 915 O PRO A 144 2.553 11.040 -1.797 1.00 0.00 O ATOM 916 CB PRO A 144 2.032 8.180 -3.385 1.00 0.00 C ATOM 917 CG PRO A 144 0.747 8.828 -3.737 1.00 0.00 C ATOM 918 CD PRO A 144 -0.069 8.811 -2.482 1.00 0.00 C ATOM 0 HA PRO A 144 2.899 7.981 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.829 8.479 -4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.959 7.094 -3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.905 9.848 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.243 8.289 -4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.724 9.680 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.705 7.928 -2.426 1.00 0.00 H new ATOM 926 N ILE A 145 4.325 9.808 -2.414 1.00 0.00 N ATOM 927 CA ILE A 145 5.181 10.927 -2.687 1.00 0.00 C ATOM 928 C ILE A 145 5.011 11.281 -4.149 1.00 0.00 C ATOM 929 O ILE A 145 4.584 10.433 -4.943 1.00 0.00 O ATOM 930 CB ILE A 145 6.662 10.597 -2.381 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.080 9.281 -3.065 1.00 0.00 C ATOM 932 CG2 ILE A 145 6.885 10.534 -0.883 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.517 8.868 -2.816 1.00 0.00 C ATOM 0 H ILE A 145 4.778 8.902 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 145 4.907 11.766 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 145 7.289 11.392 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.422 8.483 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 145 6.926 9.380 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.930 10.301 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.635 11.497 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.251 9.759 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.722 7.932 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.188 9.643 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.676 8.732 -1.746 1.00 0.00 H new ATOM 945 N CYS A 146 5.303 12.485 -4.509 1.00 0.00 N ATOM 946 CA CYS A 146 5.114 12.903 -5.875 1.00 0.00 C ATOM 947 C CYS A 146 6.358 12.672 -6.671 1.00 0.00 C ATOM 948 O CYS A 146 7.311 13.457 -6.643 1.00 0.00 O ATOM 949 CB CYS A 146 4.704 14.335 -5.956 1.00 0.00 C ATOM 950 SG CYS A 146 3.255 14.718 -4.960 1.00 0.00 S ATOM 0 H CYS A 146 5.673 13.202 -3.886 1.00 0.00 H new ATOM 0 HA CYS A 146 4.309 12.301 -6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 146 5.535 14.962 -5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 146 4.499 14.589 -6.996 1.00 0.00 H new ATOM 0 HG CYS A 146 2.965 15.979 -5.083 1.00 0.00 H new ATOM 956 N GLU A 147 6.351 11.597 -7.331 1.00 0.00 N ATOM 957 CA GLU A 147 7.429 11.175 -8.150 1.00 0.00 C ATOM 958 C GLU A 147 6.916 11.006 -9.548 1.00 0.00 C ATOM 959 O GLU A 147 6.445 9.922 -9.897 1.00 0.00 O ATOM 960 CB GLU A 147 8.044 9.875 -7.631 1.00 0.00 C ATOM 961 CG GLU A 147 8.737 9.998 -6.278 1.00 0.00 C ATOM 962 CD GLU A 147 9.920 10.940 -6.301 1.00 0.00 C ATOM 963 OE1 GLU A 147 10.928 10.634 -6.967 1.00 0.00 O ATOM 964 OE2 GLU A 147 9.887 11.982 -5.627 1.00 0.00 O ATOM 965 OXT GLU A 147 6.941 11.990 -10.307 1.00 0.00 O ATOM 0 H GLU A 147 5.565 10.947 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 147 8.219 11.926 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 147 7.260 9.122 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.766 9.512 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 147 8.017 10.347 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 147 9.072 9.012 -5.957 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.775 -1.499 1.800 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.057 -3.678 0.643 1.00 0.00 C HETATM 975 N DA2 A1148 13.989 -8.212 -0.836 1.00 0.00 N HETATM 976 CA DA2 A1148 14.358 -7.552 0.414 1.00 0.00 C HETATM 977 CB DA2 A1148 14.053 -6.047 0.349 1.00 0.00 C HETATM 978 CG DA2 A1148 14.347 -5.315 1.651 1.00 0.00 C HETATM 979 CD DA2 A1148 14.016 -3.841 1.574 1.00 0.00 C HETATM 980 NE DA2 A1148 12.605 -3.634 1.328 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.881 -2.604 1.722 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.395 -1.618 2.403 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.625 -2.589 1.405 1.00 0.00 N HETATM 984 C DA2 A1148 13.587 -8.200 1.535 1.00 0.00 C HETATM 985 O DA2 A1148 14.192 -8.742 2.469 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.361 -8.234 1.454 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.308 -1.811 3.401 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.774 -5.771 2.458 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.401 -5.435 1.902 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.301 -3.352 2.506 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.599 -3.376 0.779 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.641 -5.599 -0.452 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 13.003 -5.907 0.091 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.259 -4.148 1.219 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.651 -3.294 -0.293 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.831 -4.414 0.428 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.357 -1.023 0.913 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.965 -1.877 2.424 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.357 -0.769 2.363 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.121 -4.358 0.796 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.133 -9.216 -0.944 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.588 -7.669 -1.600 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.429 -7.660 0.585 1.00 0.00 H new