USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 THR OG1 : rot 115:sc= -0.159! USER MOD Set 1.2: A 90 HIS : no HE2:sc= -4.2! C(o=-4.4!,f=-11!) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 TYR OH : rot 96:sc= 0.907 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -116:sc= 1.79 (180deg=0.435) USER MOD Set 3.2: A 73 TYR OH : rot -100:sc= 1.94 USER MOD Single : A 2 THR OG1 : rot -80:sc= 1.22 USER MOD Single : A 3 TYR OH : rot -122:sc= 1.08 USER MOD Single : A 4 ASN : amide:sc= 0.218 X(o=0.22,f=-0.21) USER MOD Single : A 6 LYS NZ :NH3+ 130:sc= 1.17 (180deg=0.0959) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.405 (180deg=-1.1) USER MOD Single : A 18 CYS SG : rot -59:sc= -2.75 USER MOD Single : A 27 GLN : amide:sc= 1.74 K(o=1.7,f=-0.25) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 55 SER OG : rot -7:sc= 0.126 USER MOD Single : A 58 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : A 59 SER OG : rot 84:sc= 1.24 USER MOD Single : A 68 GLN : amide:sc= 0.838 K(o=0.84,f=-6.4!) USER MOD Single : A 69 MET CE :methyl 163:sc= -0.0877 (180deg=-0.342) USER MOD Single : A 82 THR OG1 : rot 23:sc= 0.663 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0844 USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= 2.33 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 12 N THR A 2 14.784 -4.395 -1.648 1.00 0.00 N ATOM 13 CA THR A 2 13.906 -5.009 -2.646 1.00 0.00 C ATOM 14 C THR A 2 13.206 -6.262 -2.118 1.00 0.00 C ATOM 15 O THR A 2 13.815 -7.327 -2.030 1.00 0.00 O ATOM 16 CB THR A 2 14.666 -5.263 -3.951 1.00 0.00 C ATOM 17 OG1 THR A 2 15.509 -4.161 -4.224 1.00 0.00 O ATOM 18 CG2 THR A 2 13.713 -5.519 -5.126 1.00 0.00 C ATOM 0 HA THR A 2 13.107 -4.301 -2.865 1.00 0.00 H new ATOM 0 HB THR A 2 15.269 -6.163 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.981 -3.434 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.292 -5.695 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.099 -6.394 -4.912 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.070 -4.651 -5.269 1.00 0.00 H new ATOM 26 N TYR A 3 11.916 -6.145 -1.783 1.00 0.00 N ATOM 27 CA TYR A 3 11.156 -7.211 -1.147 1.00 0.00 C ATOM 28 C TYR A 3 9.975 -7.676 -1.990 1.00 0.00 C ATOM 29 O TYR A 3 9.433 -6.931 -2.805 1.00 0.00 O ATOM 30 CB TYR A 3 10.662 -6.741 0.218 1.00 0.00 C ATOM 31 CG TYR A 3 11.783 -6.319 1.145 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.744 -7.253 1.577 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.871 -4.983 1.570 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.715 -6.875 2.522 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.806 -4.624 2.550 1.00 0.00 C ATOM 36 CZ TYR A 3 13.692 -5.581 3.066 1.00 0.00 C ATOM 37 OH TYR A 3 14.337 -5.329 4.236 1.00 0.00 O ATOM 0 H TYR A 3 11.372 -5.299 -1.950 1.00 0.00 H new ATOM 0 HA TYR A 3 11.825 -8.064 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.978 -5.904 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.093 -7.544 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.736 -8.259 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.220 -4.235 1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.476 -7.578 2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.845 -3.606 2.909 1.00 0.00 H new ATOM 0 HH TYR A 3 13.698 -4.986 4.895 1.00 0.00 H new ATOM 47 N ASN A 4 9.588 -8.929 -1.741 1.00 0.00 N ATOM 48 CA ASN A 4 8.402 -9.612 -2.199 1.00 0.00 C ATOM 49 C ASN A 4 7.179 -8.939 -1.576 1.00 0.00 C ATOM 50 O ASN A 4 6.849 -9.187 -0.418 1.00 0.00 O ATOM 51 CB ASN A 4 8.546 -11.072 -1.739 1.00 0.00 C ATOM 52 CG ASN A 4 7.284 -11.912 -1.854 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.135 -12.901 -1.145 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.389 -11.546 -2.757 1.00 0.00 N ATOM 0 H ASN A 4 10.160 -9.539 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 4 8.280 -9.574 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.334 -11.545 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.875 -11.078 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.538 -12.094 -2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.550 -10.716 -3.328 1.00 0.00 H new ATOM 61 N VAL A 5 6.510 -8.094 -2.357 1.00 0.00 N ATOM 62 CA VAL A 5 5.255 -7.481 -1.946 1.00 0.00 C ATOM 63 C VAL A 5 4.116 -8.122 -2.720 1.00 0.00 C ATOM 64 O VAL A 5 4.138 -8.099 -3.951 1.00 0.00 O ATOM 65 CB VAL A 5 5.270 -5.971 -2.202 1.00 0.00 C ATOM 66 CG1 VAL A 5 3.946 -5.329 -1.746 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.450 -5.323 -1.469 1.00 0.00 C ATOM 0 H VAL A 5 6.823 -7.818 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 5 5.119 -7.640 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 5 5.383 -5.804 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.977 -4.256 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.118 -5.772 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.805 -5.504 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.451 -4.250 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.356 -5.503 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.384 -5.755 -1.829 1.00 0.00 H new ATOM 77 N LYS A 6 3.098 -8.641 -2.027 1.00 0.00 N ATOM 78 CA LYS A 6 1.852 -8.993 -2.673 1.00 0.00 C ATOM 79 C LYS A 6 0.800 -7.904 -2.534 1.00 0.00 C ATOM 80 O LYS A 6 0.578 -7.396 -1.434 1.00 0.00 O ATOM 81 CB LYS A 6 1.335 -10.313 -2.135 1.00 0.00 C ATOM 82 CG LYS A 6 0.264 -10.806 -3.103 1.00 0.00 C ATOM 83 CD LYS A 6 -0.500 -11.988 -2.551 1.00 0.00 C ATOM 84 CE LYS A 6 0.421 -13.135 -2.151 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.330 -14.406 -2.156 1.00 0.00 N ATOM 0 H LYS A 6 3.122 -8.822 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 6 2.057 -9.099 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.144 -11.039 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.920 -10.185 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.431 -9.994 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.731 -11.085 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.079 -11.671 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.211 -12.340 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.262 -13.196 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.836 -12.951 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.196 -15.118 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.453 -14.740 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.263 -14.256 -2.591 1.00 0.00 H new ATOM 99 N LEU A 7 0.116 -7.624 -3.651 1.00 0.00 N ATOM 100 CA LEU A 7 -1.067 -6.790 -3.697 1.00 0.00 C ATOM 101 C LEU A 7 -2.259 -7.665 -4.050 1.00 0.00 C ATOM 102 O LEU A 7 -2.352 -8.106 -5.187 1.00 0.00 O ATOM 103 CB LEU A 7 -0.840 -5.663 -4.716 1.00 0.00 C ATOM 104 CG LEU A 7 0.382 -4.789 -4.407 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.756 -3.988 -5.655 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.150 -3.824 -3.244 1.00 0.00 C ATOM 0 H LEU A 7 0.386 -7.986 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.269 -6.323 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.722 -6.100 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.728 -5.032 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 7 1.189 -5.460 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.624 -3.365 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.993 -4.673 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.082 -3.355 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.051 -3.234 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.680 -3.159 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.087 -4.390 -2.343 1.00 0.00 H new ATOM 118 N ILE A 8 -3.145 -7.955 -3.090 1.00 0.00 N ATOM 119 CA ILE A 8 -4.361 -8.718 -3.323 1.00 0.00 C ATOM 120 C ILE A 8 -5.363 -7.766 -3.961 1.00 0.00 C ATOM 121 O ILE A 8 -6.088 -7.044 -3.276 1.00 0.00 O ATOM 122 CB ILE A 8 -4.848 -9.356 -2.011 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.847 -10.418 -1.533 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.246 -9.981 -2.161 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.934 -10.650 -0.024 1.00 0.00 C ATOM 0 H ILE A 8 -3.030 -7.660 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.203 -9.557 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.918 -8.562 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.036 -11.356 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.836 -10.106 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.552 -10.420 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.960 -9.210 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.218 -10.756 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.209 -11.409 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.718 -9.719 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.937 -10.988 0.235 1.00 0.00 H new ATOM 137 N THR A 9 -5.357 -7.744 -5.292 1.00 0.00 N ATOM 138 CA THR A 9 -6.270 -6.961 -6.088 1.00 0.00 C ATOM 139 C THR A 9 -7.472 -7.822 -6.495 1.00 0.00 C ATOM 140 O THR A 9 -7.303 -9.037 -6.617 1.00 0.00 O ATOM 141 CB THR A 9 -5.547 -6.511 -7.350 1.00 0.00 C ATOM 142 OG1 THR A 9 -5.067 -7.663 -8.021 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.285 -5.704 -7.072 1.00 0.00 C ATOM 0 H THR A 9 -4.698 -8.286 -5.850 1.00 0.00 H new ATOM 0 HA THR A 9 -6.614 -6.102 -5.512 1.00 0.00 H new ATOM 0 HB THR A 9 -6.265 -5.910 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.599 -7.394 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.822 -5.417 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.543 -4.808 -6.507 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.586 -6.309 -6.494 1.00 0.00 H new ATOM 151 N PRO A 10 -8.635 -7.216 -6.796 1.00 0.00 N ATOM 152 CA PRO A 10 -9.856 -7.899 -7.198 1.00 0.00 C ATOM 153 C PRO A 10 -9.634 -8.844 -8.380 1.00 0.00 C ATOM 154 O PRO A 10 -10.204 -9.929 -8.440 1.00 0.00 O ATOM 155 CB PRO A 10 -10.852 -6.795 -7.542 1.00 0.00 C ATOM 156 CG PRO A 10 -10.385 -5.612 -6.714 1.00 0.00 C ATOM 157 CD PRO A 10 -8.886 -5.798 -6.658 1.00 0.00 C ATOM 0 HA PRO A 10 -10.224 -8.538 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.842 -6.566 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.872 -7.083 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.656 -4.664 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.829 -5.617 -5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.397 -5.239 -7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.485 -5.424 -5.716 1.00 0.00 H new ATOM 165 N ASP A 11 -8.771 -8.406 -9.298 1.00 0.00 N ATOM 166 CA ASP A 11 -8.254 -9.109 -10.461 1.00 0.00 C ATOM 167 C ASP A 11 -7.805 -10.515 -10.096 1.00 0.00 C ATOM 168 O ASP A 11 -7.980 -11.461 -10.861 1.00 0.00 O ATOM 169 CB ASP A 11 -7.048 -8.307 -10.957 1.00 0.00 C ATOM 170 CG ASP A 11 -7.469 -6.915 -11.394 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.777 -6.136 -10.461 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.510 -6.677 -12.619 1.00 0.00 O ATOM 0 H ASP A 11 -8.385 -7.464 -9.236 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.028 -9.197 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.303 -8.235 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.577 -8.828 -11.791 1.00 0.00 H new ATOM 177 N GLY A 12 -7.212 -10.617 -8.910 1.00 0.00 N ATOM 178 CA GLY A 12 -6.817 -11.846 -8.280 1.00 0.00 C ATOM 179 C GLY A 12 -5.313 -11.834 -8.052 1.00 0.00 C ATOM 180 O GLY A 12 -4.606 -12.677 -8.599 1.00 0.00 O ATOM 0 H GLY A 12 -6.989 -9.798 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.339 -11.966 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.095 -12.694 -8.906 1.00 0.00 H new ATOM 184 N GLU A 13 -4.865 -10.866 -7.241 1.00 0.00 N ATOM 185 CA GLU A 13 -3.503 -10.661 -6.773 1.00 0.00 C ATOM 186 C GLU A 13 -2.562 -10.182 -7.875 1.00 0.00 C ATOM 187 O GLU A 13 -2.716 -10.498 -9.052 1.00 0.00 O ATOM 188 CB GLU A 13 -2.939 -11.924 -6.129 1.00 0.00 C ATOM 189 CG GLU A 13 -3.586 -12.305 -4.796 1.00 0.00 C ATOM 190 CD GLU A 13 -3.374 -13.779 -4.435 1.00 0.00 C ATOM 191 OE1 GLU A 13 -4.108 -14.608 -5.005 1.00 0.00 O ATOM 192 OE2 GLU A 13 -2.487 -14.069 -3.594 1.00 0.00 O ATOM 0 H GLU A 13 -5.499 -10.157 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.563 -9.872 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.057 -12.754 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.869 -11.789 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.174 -11.679 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.655 -12.097 -4.843 1.00 0.00 H new ATOM 199 N VAL A 14 -1.535 -9.446 -7.452 1.00 0.00 N ATOM 200 CA VAL A 14 -0.437 -9.025 -8.292 1.00 0.00 C ATOM 201 C VAL A 14 0.795 -8.835 -7.413 1.00 0.00 C ATOM 202 O VAL A 14 1.023 -7.794 -6.800 1.00 0.00 O ATOM 203 CB VAL A 14 -0.858 -7.816 -9.128 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.164 -6.561 -8.317 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.146 -7.553 -10.249 1.00 0.00 C ATOM 0 H VAL A 14 -1.450 -9.122 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.162 -9.779 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.814 -8.083 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.454 -5.754 -8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.980 -6.766 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.277 -6.265 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.175 -6.688 -10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.128 -7.357 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.202 -8.426 -10.899 1.00 0.00 H new ATOM 215 N GLU A 15 1.554 -9.918 -7.287 1.00 0.00 N ATOM 216 CA GLU A 15 2.766 -9.977 -6.506 1.00 0.00 C ATOM 217 C GLU A 15 3.946 -9.443 -7.309 1.00 0.00 C ATOM 218 O GLU A 15 4.036 -9.660 -8.516 1.00 0.00 O ATOM 219 CB GLU A 15 2.952 -11.427 -6.063 1.00 0.00 C ATOM 220 CG GLU A 15 3.738 -11.547 -4.760 1.00 0.00 C ATOM 221 CD GLU A 15 3.588 -12.920 -4.117 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.833 -13.755 -4.660 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.199 -13.087 -3.042 1.00 0.00 O ATOM 0 H GLU A 15 1.328 -10.802 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 15 2.702 -9.343 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.975 -11.893 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.470 -11.979 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.793 -11.353 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.398 -10.782 -4.062 1.00 0.00 H new ATOM 230 N PHE A 16 4.820 -8.694 -6.638 1.00 0.00 N ATOM 231 CA PHE A 16 5.826 -7.870 -7.288 1.00 0.00 C ATOM 232 C PHE A 16 6.998 -7.554 -6.364 1.00 0.00 C ATOM 233 O PHE A 16 6.970 -7.912 -5.183 1.00 0.00 O ATOM 234 CB PHE A 16 5.166 -6.658 -7.919 1.00 0.00 C ATOM 235 CG PHE A 16 4.997 -5.492 -6.998 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.051 -5.538 -5.968 1.00 0.00 C ATOM 237 CD2 PHE A 16 5.850 -4.388 -7.128 1.00 0.00 C ATOM 238 CE1 PHE A 16 3.931 -4.446 -5.104 1.00 0.00 C ATOM 239 CE2 PHE A 16 5.696 -3.291 -6.286 1.00 0.00 C ATOM 240 CZ PHE A 16 4.713 -3.297 -5.294 1.00 0.00 C ATOM 0 H PHE A 16 4.846 -8.645 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 16 6.284 -8.431 -8.102 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.759 -6.343 -8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.187 -6.950 -8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.421 -6.406 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.625 -4.389 -7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.230 -4.487 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.339 -2.431 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.556 -2.424 -4.678 1.00 0.00 H new ATOM 250 N LYS A 17 8.068 -6.967 -6.920 1.00 0.00 N ATOM 251 CA LYS A 17 9.227 -6.568 -6.130 1.00 0.00 C ATOM 252 C LYS A 17 9.156 -5.070 -5.889 1.00 0.00 C ATOM 253 O LYS A 17 9.080 -4.295 -6.839 1.00 0.00 O ATOM 254 CB LYS A 17 10.544 -6.971 -6.813 1.00 0.00 C ATOM 255 CG LYS A 17 11.191 -8.193 -6.140 1.00 0.00 C ATOM 256 CD LYS A 17 10.283 -9.424 -6.081 1.00 0.00 C ATOM 257 CE LYS A 17 10.358 -10.314 -7.328 1.00 0.00 C ATOM 258 NZ LYS A 17 10.000 -9.581 -8.562 1.00 0.00 N ATOM 0 H LYS A 17 8.148 -6.761 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 17 9.209 -7.089 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.355 -7.193 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.239 -6.131 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.102 -8.452 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.486 -7.923 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.549 -10.018 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.253 -9.097 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.367 -10.715 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.688 -11.165 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.767 -10.260 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.177 -8.973 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.804 -8.994 -8.863 1.00 0.00 H new ATOM 272 N CYS A 18 9.194 -4.663 -4.623 1.00 0.00 N ATOM 273 CA CYS A 18 9.193 -3.257 -4.273 1.00 0.00 C ATOM 274 C CYS A 18 10.423 -2.936 -3.450 1.00 0.00 C ATOM 275 O CYS A 18 10.728 -3.649 -2.491 1.00 0.00 O ATOM 276 CB CYS A 18 7.944 -2.904 -3.500 1.00 0.00 C ATOM 277 SG CYS A 18 7.928 -1.097 -3.442 1.00 0.00 S ATOM 0 H CYS A 18 9.226 -5.295 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 18 9.209 -2.666 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.052 -3.291 -3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.966 -3.331 -2.497 1.00 0.00 H new ATOM 0 HG CYS A 18 9.007 -0.672 -2.855 1.00 0.00 H new ATOM 283 N ASP A 19 11.135 -1.884 -3.840 1.00 0.00 N ATOM 284 CA ASP A 19 12.262 -1.384 -3.090 1.00 0.00 C ATOM 285 C ASP A 19 11.753 -0.680 -1.843 1.00 0.00 C ATOM 286 O ASP A 19 10.904 0.195 -1.892 1.00 0.00 O ATOM 287 CB ASP A 19 13.136 -0.475 -3.951 1.00 0.00 C ATOM 288 CG ASP A 19 13.488 -1.162 -5.256 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.362 -2.049 -5.196 1.00 0.00 O ATOM 290 OD2 ASP A 19 12.820 -0.845 -6.263 1.00 0.00 O ATOM 0 H ASP A 19 10.939 -1.357 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 19 12.897 -2.215 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.611 0.459 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.047 -0.218 -3.411 1.00 0.00 H new ATOM 295 N ASP A 20 12.350 -1.033 -0.723 1.00 0.00 N ATOM 296 CA ASP A 20 12.377 -0.283 0.529 1.00 0.00 C ATOM 297 C ASP A 20 12.657 1.204 0.296 1.00 0.00 C ATOM 298 O ASP A 20 12.212 2.058 1.058 1.00 0.00 O ATOM 299 CB ASP A 20 13.422 -0.924 1.467 1.00 0.00 C ATOM 300 CG ASP A 20 14.708 -1.365 0.775 1.00 0.00 C ATOM 301 OD1 ASP A 20 14.608 -2.097 -0.245 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.825 -1.084 1.249 1.00 0.00 O ATOM 0 H ASP A 20 12.866 -1.910 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 20 11.395 -0.332 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.673 -0.210 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.972 -1.789 1.955 1.00 0.00 H new ATOM 307 N ASP A 21 13.380 1.503 -0.777 1.00 0.00 N ATOM 308 CA ASP A 21 13.786 2.829 -1.194 1.00 0.00 C ATOM 309 C ASP A 21 12.667 3.581 -1.937 1.00 0.00 C ATOM 310 O ASP A 21 12.799 4.784 -2.158 1.00 0.00 O ATOM 311 CB ASP A 21 15.016 2.674 -2.105 1.00 0.00 C ATOM 312 CG ASP A 21 16.112 1.786 -1.513 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.950 0.542 -1.595 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.094 2.365 -1.001 1.00 0.00 O ATOM 0 H ASP A 21 13.715 0.780 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 21 14.019 3.422 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.699 2.256 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.432 3.661 -2.310 1.00 0.00 H new ATOM 319 N VAL A 22 11.604 2.893 -2.374 1.00 0.00 N ATOM 320 CA VAL A 22 10.615 3.401 -3.322 1.00 0.00 C ATOM 321 C VAL A 22 9.197 3.134 -2.798 1.00 0.00 C ATOM 322 O VAL A 22 9.012 2.217 -1.999 1.00 0.00 O ATOM 323 CB VAL A 22 10.895 2.743 -4.688 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.153 1.423 -4.926 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.513 3.690 -5.812 1.00 0.00 C ATOM 0 H VAL A 22 11.407 1.941 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 22 10.689 4.482 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 22 11.962 2.523 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.410 1.033 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.442 0.700 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.078 1.595 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.715 3.215 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.452 3.929 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.098 4.606 -5.730 1.00 0.00 H new ATOM 335 N TYR A 23 8.179 3.913 -3.187 1.00 0.00 N ATOM 336 CA TYR A 23 6.853 3.636 -2.656 1.00 0.00 C ATOM 337 C TYR A 23 6.265 2.394 -3.333 1.00 0.00 C ATOM 338 O TYR A 23 6.578 2.095 -4.486 1.00 0.00 O ATOM 339 CB TYR A 23 5.905 4.830 -2.799 1.00 0.00 C ATOM 340 CG TYR A 23 6.354 6.146 -2.193 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.678 6.224 -0.825 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.249 7.330 -2.947 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.841 7.478 -0.210 1.00 0.00 C ATOM 344 CE2 TYR A 23 6.466 8.580 -2.341 1.00 0.00 C ATOM 345 CZ TYR A 23 6.764 8.655 -0.971 1.00 0.00 C ATOM 346 OH TYR A 23 6.948 9.878 -0.395 1.00 0.00 O ATOM 0 H TYR A 23 8.246 4.699 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 23 6.962 3.447 -1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.723 4.992 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.950 4.559 -2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.801 5.320 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.000 7.278 -3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.026 7.536 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.403 9.483 -2.930 1.00 0.00 H new ATOM 0 HH TYR A 23 6.859 10.577 -1.076 1.00 0.00 H new ATOM 356 N VAL A 24 5.370 1.685 -2.640 1.00 0.00 N ATOM 357 CA VAL A 24 4.677 0.526 -3.204 1.00 0.00 C ATOM 358 C VAL A 24 4.086 0.859 -4.580 1.00 0.00 C ATOM 359 O VAL A 24 4.345 0.146 -5.551 1.00 0.00 O ATOM 360 CB VAL A 24 3.641 -0.030 -2.207 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.180 -1.421 -2.641 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.241 -0.223 -0.810 1.00 0.00 C ATOM 0 H VAL A 24 5.107 1.897 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 24 5.398 -0.275 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 24 2.825 0.693 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.449 -1.801 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.725 -1.362 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.037 -2.094 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.478 -0.616 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.073 -0.925 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.599 0.735 -0.432 1.00 0.00 H new ATOM 372 N LEU A 25 3.327 1.959 -4.677 1.00 0.00 N ATOM 373 CA LEU A 25 2.693 2.345 -5.934 1.00 0.00 C ATOM 374 C LEU A 25 3.711 2.630 -7.048 1.00 0.00 C ATOM 375 O LEU A 25 3.434 2.339 -8.211 1.00 0.00 O ATOM 376 CB LEU A 25 1.607 3.425 -5.733 1.00 0.00 C ATOM 377 CG LEU A 25 1.969 4.922 -5.713 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.114 5.278 -4.768 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.238 5.500 -7.107 1.00 0.00 C ATOM 0 H LEU A 25 3.141 2.592 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 25 2.143 1.480 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.869 3.286 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.109 3.205 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 25 1.069 5.393 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.304 6.350 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.844 5.002 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.012 4.737 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.487 6.558 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.070 4.968 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.348 5.386 -7.726 1.00 0.00 H new ATOM 391 N ASP A 26 4.895 3.153 -6.704 1.00 0.00 N ATOM 392 CA ASP A 26 5.896 3.565 -7.674 1.00 0.00 C ATOM 393 C ASP A 26 6.334 2.329 -8.454 1.00 0.00 C ATOM 394 O ASP A 26 6.055 2.189 -9.645 1.00 0.00 O ATOM 395 CB ASP A 26 7.124 4.171 -6.970 1.00 0.00 C ATOM 396 CG ASP A 26 6.924 5.474 -6.208 1.00 0.00 C ATOM 397 OD1 ASP A 26 6.020 6.250 -6.579 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.701 5.666 -5.244 1.00 0.00 O ATOM 0 H ASP A 26 5.179 3.300 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 26 5.469 4.319 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.512 3.429 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.896 4.336 -7.722 1.00 0.00 H new ATOM 403 N GLN A 27 7.018 1.414 -7.756 1.00 0.00 N ATOM 404 CA GLN A 27 7.552 0.224 -8.394 1.00 0.00 C ATOM 405 C GLN A 27 6.406 -0.574 -9.001 1.00 0.00 C ATOM 406 O GLN A 27 6.552 -1.097 -10.095 1.00 0.00 O ATOM 407 CB GLN A 27 8.409 -0.624 -7.441 1.00 0.00 C ATOM 408 CG GLN A 27 9.879 -0.691 -7.881 1.00 0.00 C ATOM 409 CD GLN A 27 10.075 -1.509 -9.157 1.00 0.00 C ATOM 410 OE1 GLN A 27 10.353 -0.961 -10.218 1.00 0.00 O ATOM 411 NE2 GLN A 27 9.923 -2.826 -9.059 1.00 0.00 N ATOM 0 H GLN A 27 7.209 1.482 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 27 8.230 0.533 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.352 -0.206 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.001 -1.634 -7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.253 0.320 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.475 -1.127 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.692 -3.247 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.038 -3.415 -9.884 1.00 0.00 H new ATOM 420 N ALA A 28 5.255 -0.647 -8.327 1.00 0.00 N ATOM 421 CA ALA A 28 4.093 -1.309 -8.894 1.00 0.00 C ATOM 422 C ALA A 28 3.803 -0.833 -10.316 1.00 0.00 C ATOM 423 O ALA A 28 3.857 -1.633 -11.254 1.00 0.00 O ATOM 424 CB ALA A 28 2.888 -1.073 -7.997 1.00 0.00 C ATOM 0 H ALA A 28 5.110 -0.257 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 28 4.304 -2.377 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.015 -1.569 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.088 -1.477 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.695 -0.003 -7.921 1.00 0.00 H new ATOM 430 N GLU A 29 3.510 0.458 -10.486 1.00 0.00 N ATOM 431 CA GLU A 29 3.259 0.997 -11.813 1.00 0.00 C ATOM 432 C GLU A 29 4.450 0.694 -12.735 1.00 0.00 C ATOM 433 O GLU A 29 4.239 0.294 -13.877 1.00 0.00 O ATOM 434 CB GLU A 29 2.939 2.498 -11.750 1.00 0.00 C ATOM 435 CG GLU A 29 1.563 2.758 -11.114 1.00 0.00 C ATOM 436 CD GLU A 29 1.168 4.232 -11.152 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.504 4.890 -12.162 1.00 0.00 O ATOM 438 OE2 GLU A 29 0.519 4.675 -10.181 1.00 0.00 O ATOM 0 H GLU A 29 3.443 1.138 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 29 2.379 0.510 -12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.709 3.011 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.961 2.918 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.808 2.170 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.574 2.415 -10.079 1.00 0.00 H new ATOM 445 N GLU A 30 5.689 0.803 -12.234 1.00 0.00 N ATOM 446 CA GLU A 30 6.878 0.421 -12.997 1.00 0.00 C ATOM 447 C GLU A 30 6.845 -1.023 -13.500 1.00 0.00 C ATOM 448 O GLU A 30 7.241 -1.282 -14.637 1.00 0.00 O ATOM 449 CB GLU A 30 8.178 0.758 -12.256 1.00 0.00 C ATOM 450 CG GLU A 30 8.330 2.257 -11.935 1.00 0.00 C ATOM 451 CD GLU A 30 9.052 3.025 -13.036 1.00 0.00 C ATOM 452 OE1 GLU A 30 8.545 3.009 -14.178 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.108 3.617 -12.720 1.00 0.00 O ATOM 0 H GLU A 30 5.890 1.155 -11.298 1.00 0.00 H new ATOM 0 HA GLU A 30 6.860 1.037 -13.896 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.215 0.190 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.026 0.436 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.343 2.693 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.878 2.370 -11.000 1.00 0.00 H new ATOM 460 N GLU A 31 6.367 -1.974 -12.695 1.00 0.00 N ATOM 461 CA GLU A 31 6.310 -3.371 -13.129 1.00 0.00 C ATOM 462 C GLU A 31 5.126 -3.550 -14.080 1.00 0.00 C ATOM 463 O GLU A 31 5.079 -4.505 -14.852 1.00 0.00 O ATOM 464 CB GLU A 31 6.260 -4.346 -11.938 1.00 0.00 C ATOM 465 CG GLU A 31 7.211 -3.904 -10.818 1.00 0.00 C ATOM 466 CD GLU A 31 8.225 -4.964 -10.350 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.868 -5.860 -9.544 1.00 0.00 O ATOM 468 OE2 GLU A 31 9.394 -4.831 -10.772 1.00 0.00 O ATOM 0 H GLU A 31 6.018 -1.806 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 31 7.228 -3.615 -13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.242 -4.402 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.529 -5.348 -12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.761 -3.026 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.614 -3.594 -9.960 1.00 0.00 H new ATOM 475 N GLY A 32 4.177 -2.613 -14.014 1.00 0.00 N ATOM 476 CA GLY A 32 3.042 -2.503 -14.917 1.00 0.00 C ATOM 477 C GLY A 32 1.734 -2.705 -14.164 1.00 0.00 C ATOM 478 O GLY A 32 0.699 -2.954 -14.778 1.00 0.00 O ATOM 0 H GLY A 32 4.184 -1.884 -13.300 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.045 -1.523 -15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.129 -3.245 -15.711 1.00 0.00 H new ATOM 482 N ILE A 33 1.777 -2.633 -12.833 1.00 0.00 N ATOM 483 CA ILE A 33 0.615 -2.893 -12.009 1.00 0.00 C ATOM 484 C ILE A 33 -0.268 -1.649 -11.942 1.00 0.00 C ATOM 485 O ILE A 33 0.205 -0.552 -11.662 1.00 0.00 O ATOM 486 CB ILE A 33 1.059 -3.293 -10.607 1.00 0.00 C ATOM 487 CG1 ILE A 33 2.079 -4.428 -10.666 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.141 -3.723 -9.762 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.624 -4.774 -9.282 1.00 0.00 C ATOM 0 H ILE A 33 2.617 -2.394 -12.306 1.00 0.00 H new ATOM 0 HA ILE A 33 0.041 -3.708 -12.449 1.00 0.00 H new ATOM 0 HB ILE A 33 1.525 -2.423 -10.144 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.615 -5.311 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.903 -4.142 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.198 -4.004 -8.765 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.847 -2.896 -9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.631 -4.575 -10.233 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.346 -5.586 -9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.112 -3.898 -8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.804 -5.085 -8.635 1.00 0.00 H new ATOM 501 N ASP A 34 -1.564 -1.855 -12.139 1.00 0.00 N ATOM 502 CA ASP A 34 -2.596 -0.841 -11.967 1.00 0.00 C ATOM 503 C ASP A 34 -3.149 -0.937 -10.549 1.00 0.00 C ATOM 504 O ASP A 34 -3.722 -1.965 -10.184 1.00 0.00 O ATOM 505 CB ASP A 34 -3.678 -1.070 -13.029 1.00 0.00 C ATOM 506 CG ASP A 34 -4.798 -0.036 -12.999 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.923 0.673 -11.977 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.524 0.027 -14.015 1.00 0.00 O ATOM 0 H ASP A 34 -1.937 -2.758 -12.431 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.197 0.165 -12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.214 -1.061 -14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.108 -2.062 -12.888 1.00 0.00 H new ATOM 513 N ILE A 35 -2.944 0.108 -9.737 1.00 0.00 N ATOM 514 CA ILE A 35 -3.518 0.228 -8.409 1.00 0.00 C ATOM 515 C ILE A 35 -4.021 1.668 -8.234 1.00 0.00 C ATOM 516 O ILE A 35 -3.558 2.555 -8.948 1.00 0.00 O ATOM 517 CB ILE A 35 -2.507 -0.200 -7.328 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.483 0.882 -6.943 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.776 -1.489 -7.701 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.625 0.401 -5.765 1.00 0.00 C ATOM 0 H ILE A 35 -2.362 0.904 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.365 -0.448 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.125 -0.374 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.846 1.111 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.000 1.803 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.074 -1.751 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.500 -2.295 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.232 -1.342 -8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.096 1.174 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.266 0.195 -4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.095 -0.508 -6.048 1.00 0.00 H new ATOM 682 N ALA A 48 -5.578 3.414 -0.134 1.00 0.00 N ATOM 683 CA ALA A 48 -5.472 2.619 1.087 1.00 0.00 C ATOM 684 C ALA A 48 -5.535 1.134 0.764 1.00 0.00 C ATOM 685 O ALA A 48 -6.092 0.746 -0.264 1.00 0.00 O ATOM 686 CB ALA A 48 -6.554 3.012 2.090 1.00 0.00 C ATOM 0 HA ALA A 48 -4.505 2.824 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.453 2.406 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.446 4.065 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.537 2.846 1.649 1.00 0.00 H new ATOM 692 N GLY A 49 -4.947 0.320 1.644 1.00 0.00 N ATOM 693 CA GLY A 49 -4.887 -1.123 1.546 1.00 0.00 C ATOM 694 C GLY A 49 -4.941 -1.771 2.931 1.00 0.00 C ATOM 695 O GLY A 49 -4.794 -1.079 3.934 1.00 0.00 O ATOM 0 H GLY A 49 -4.481 0.675 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.717 -1.484 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.969 -1.418 1.038 1.00 0.00 H new ATOM 699 N LYS A 50 -5.160 -3.090 2.979 1.00 0.00 N ATOM 700 CA LYS A 50 -5.250 -3.907 4.174 1.00 0.00 C ATOM 701 C LYS A 50 -3.983 -4.740 4.349 1.00 0.00 C ATOM 702 O LYS A 50 -3.735 -5.628 3.545 1.00 0.00 O ATOM 703 CB LYS A 50 -6.491 -4.799 4.050 1.00 0.00 C ATOM 704 CG LYS A 50 -7.187 -4.998 5.398 1.00 0.00 C ATOM 705 CD LYS A 50 -8.668 -5.257 5.139 1.00 0.00 C ATOM 706 CE LYS A 50 -9.464 -5.085 6.439 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.907 -4.920 6.151 1.00 0.00 N ATOM 0 H LYS A 50 -5.285 -3.639 2.129 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.343 -3.276 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.190 -4.352 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.202 -5.768 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.743 -5.837 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.060 -4.115 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.039 -4.567 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.807 -6.265 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.313 -5.953 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.095 -4.217 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.216 -3.975 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.071 -5.025 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.449 -5.644 6.665 1.00 0.00 H new ATOM 721 N VAL A 51 -3.178 -4.471 5.375 1.00 0.00 N ATOM 722 CA VAL A 51 -2.000 -5.261 5.703 1.00 0.00 C ATOM 723 C VAL A 51 -2.456 -6.668 6.085 1.00 0.00 C ATOM 724 O VAL A 51 -3.052 -6.858 7.143 1.00 0.00 O ATOM 725 CB VAL A 51 -1.240 -4.610 6.884 1.00 0.00 C ATOM 726 CG1 VAL A 51 0.072 -5.326 7.214 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.895 -3.144 6.627 1.00 0.00 C ATOM 0 H VAL A 51 -3.331 -3.687 6.009 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.329 -5.307 4.846 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.933 -4.693 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.560 -4.825 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.136 -6.361 7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.728 -5.303 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.363 -2.739 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.263 -3.069 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.812 -2.577 6.468 1.00 0.00 H new ATOM 737 N VAL A 52 -2.167 -7.657 5.239 1.00 0.00 N ATOM 738 CA VAL A 52 -2.421 -9.051 5.564 1.00 0.00 C ATOM 739 C VAL A 52 -1.256 -9.594 6.389 1.00 0.00 C ATOM 740 O VAL A 52 -1.471 -10.282 7.383 1.00 0.00 O ATOM 741 CB VAL A 52 -2.636 -9.850 4.275 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.825 -11.349 4.546 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.858 -9.312 3.531 1.00 0.00 C ATOM 0 H VAL A 52 -1.754 -7.511 4.318 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.328 -9.144 6.161 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.740 -9.732 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.974 -11.873 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.939 -11.743 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.696 -11.496 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.007 -9.883 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.740 -9.406 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.700 -8.263 3.282 1.00 0.00 H new ATOM 753 N SER A 53 -0.015 -9.313 5.977 1.00 0.00 N ATOM 754 CA SER A 53 1.162 -9.745 6.718 1.00 0.00 C ATOM 755 C SER A 53 2.376 -8.919 6.310 1.00 0.00 C ATOM 756 O SER A 53 2.294 -8.119 5.380 1.00 0.00 O ATOM 757 CB SER A 53 1.419 -11.240 6.498 1.00 0.00 C ATOM 758 OG SER A 53 2.315 -11.718 7.484 1.00 0.00 O ATOM 0 H SER A 53 0.195 -8.785 5.130 1.00 0.00 H new ATOM 0 HA SER A 53 0.982 -9.587 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.480 -11.792 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.834 -11.405 5.504 1.00 0.00 H new ATOM 0 HG SER A 53 2.477 -12.674 7.343 1.00 0.00 H new ATOM 764 N GLY A 54 3.495 -9.139 7.001 1.00 0.00 N ATOM 765 CA GLY A 54 4.683 -8.302 6.923 1.00 0.00 C ATOM 766 C GLY A 54 4.443 -6.955 7.602 1.00 0.00 C ATOM 767 O GLY A 54 3.502 -6.795 8.381 1.00 0.00 O ATOM 0 H GLY A 54 3.598 -9.924 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.523 -8.809 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.955 -8.145 5.879 1.00 0.00 H new ATOM 771 N SER A 55 5.292 -5.966 7.312 1.00 0.00 N ATOM 772 CA SER A 55 5.123 -4.595 7.756 1.00 0.00 C ATOM 773 C SER A 55 5.863 -3.689 6.780 1.00 0.00 C ATOM 774 O SER A 55 6.792 -4.140 6.105 1.00 0.00 O ATOM 775 CB SER A 55 5.688 -4.408 9.162 1.00 0.00 C ATOM 776 OG SER A 55 5.143 -5.345 10.072 1.00 0.00 O ATOM 0 H SER A 55 6.131 -6.107 6.750 1.00 0.00 H new ATOM 0 HA SER A 55 4.062 -4.347 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.773 -4.514 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.475 -3.397 9.509 1.00 0.00 H new ATOM 0 HG SER A 55 4.432 -5.855 9.630 1.00 0.00 H new ATOM 782 N ILE A 56 5.434 -2.427 6.713 1.00 0.00 N ATOM 783 CA ILE A 56 5.954 -1.404 5.833 1.00 0.00 C ATOM 784 C ILE A 56 5.915 -0.075 6.587 1.00 0.00 C ATOM 785 O ILE A 56 5.179 0.037 7.569 1.00 0.00 O ATOM 786 CB ILE A 56 5.134 -1.380 4.534 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.696 -0.875 4.702 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.068 -2.770 3.894 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.040 -0.748 3.319 1.00 0.00 C ATOM 0 H ILE A 56 4.677 -2.084 7.304 1.00 0.00 H new ATOM 0 HA ILE A 56 6.986 -1.604 5.545 1.00 0.00 H new ATOM 0 HB ILE A 56 5.665 -0.674 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.127 -1.564 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.694 0.090 5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.481 -2.721 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.077 -3.112 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.599 -3.468 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.017 -0.389 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.606 -0.042 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.030 -1.722 2.830 1.00 0.00 H new ATOM 801 N ASP A 57 6.690 0.912 6.136 1.00 0.00 N ATOM 802 CA ASP A 57 6.764 2.231 6.732 1.00 0.00 C ATOM 803 C ASP A 57 5.925 3.174 5.880 1.00 0.00 C ATOM 804 O ASP A 57 6.314 3.504 4.760 1.00 0.00 O ATOM 805 CB ASP A 57 8.225 2.697 6.785 1.00 0.00 C ATOM 806 CG ASP A 57 8.332 4.175 7.140 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.340 4.709 7.686 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.396 4.759 6.858 1.00 0.00 O ATOM 0 H ASP A 57 7.297 0.805 5.323 1.00 0.00 H new ATOM 0 HA ASP A 57 6.382 2.217 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.769 2.105 7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.699 2.519 5.820 1.00 0.00 H new ATOM 813 N GLN A 58 4.773 3.589 6.407 1.00 0.00 N ATOM 814 CA GLN A 58 3.945 4.623 5.818 1.00 0.00 C ATOM 815 C GLN A 58 4.067 5.945 6.586 1.00 0.00 C ATOM 816 O GLN A 58 3.076 6.652 6.728 1.00 0.00 O ATOM 817 CB GLN A 58 2.507 4.101 5.724 1.00 0.00 C ATOM 818 CG GLN A 58 2.062 3.502 7.054 1.00 0.00 C ATOM 819 CD GLN A 58 0.556 3.351 7.140 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.218 3.879 6.349 1.00 0.00 O ATOM 821 NE2 GLN A 58 0.116 2.541 8.081 1.00 0.00 N ATOM 0 H GLN A 58 4.389 3.205 7.270 1.00 0.00 H new ATOM 0 HA GLN A 58 4.288 4.852 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.837 4.914 5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.439 3.347 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.531 2.527 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.409 4.136 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.773 2.110 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.882 2.345 8.160 1.00 0.00 H new ATOM 830 N SER A 59 5.263 6.320 7.062 1.00 0.00 N ATOM 831 CA SER A 59 5.478 7.613 7.716 1.00 0.00 C ATOM 832 C SER A 59 4.855 8.774 6.934 1.00 0.00 C ATOM 833 O SER A 59 4.261 9.670 7.534 1.00 0.00 O ATOM 834 CB SER A 59 6.973 7.871 7.936 1.00 0.00 C ATOM 835 OG SER A 59 7.469 7.010 8.940 1.00 0.00 O ATOM 0 H SER A 59 6.100 5.740 7.004 1.00 0.00 H new ATOM 0 HA SER A 59 4.977 7.561 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.519 7.711 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.133 8.910 8.225 1.00 0.00 H new ATOM 0 HG SER A 59 7.703 6.145 8.543 1.00 0.00 H new ATOM 901 N LEU A 64 -4.193 7.746 7.752 1.00 0.00 N ATOM 902 CA LEU A 64 -4.791 6.631 8.470 1.00 0.00 C ATOM 903 C LEU A 64 -4.647 6.836 9.973 1.00 0.00 C ATOM 904 O LEU A 64 -3.605 7.302 10.433 1.00 0.00 O ATOM 905 CB LEU A 64 -4.194 5.273 8.092 1.00 0.00 C ATOM 906 CG LEU A 64 -4.830 4.656 6.843 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.339 5.319 5.556 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.474 3.174 6.832 1.00 0.00 C ATOM 0 HA LEU A 64 -5.842 6.615 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.123 5.389 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.314 4.586 8.929 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.909 4.807 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.818 4.847 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.590 6.379 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.258 5.204 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.912 2.701 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.390 3.060 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.865 2.699 7.732 1.00 0.00 H new ATOM 920 N ASP A 65 -5.681 6.460 10.718 1.00 0.00 N ATOM 921 CA ASP A 65 -5.650 6.524 12.167 1.00 0.00 C ATOM 922 C ASP A 65 -5.012 5.255 12.720 1.00 0.00 C ATOM 923 O ASP A 65 -4.881 4.242 12.024 1.00 0.00 O ATOM 924 CB ASP A 65 -7.057 6.731 12.736 1.00 0.00 C ATOM 925 CG ASP A 65 -7.638 8.089 12.364 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.185 9.083 12.970 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.532 8.104 11.490 1.00 0.00 O ATOM 0 H ASP A 65 -6.557 6.105 10.334 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.048 7.380 12.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.715 5.944 12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.025 6.637 13.821 1.00 0.00 H new ATOM 932 N ASP A 66 -4.636 5.312 13.996 1.00 0.00 N ATOM 933 CA ASP A 66 -4.016 4.215 14.720 1.00 0.00 C ATOM 934 C ASP A 66 -4.932 3.004 14.647 1.00 0.00 C ATOM 935 O ASP A 66 -4.472 1.884 14.449 1.00 0.00 O ATOM 936 CB ASP A 66 -3.775 4.621 16.178 1.00 0.00 C ATOM 937 CG ASP A 66 -2.852 5.825 16.286 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.342 6.926 15.950 1.00 0.00 O ATOM 939 OD2 ASP A 66 -1.687 5.624 16.688 1.00 0.00 O ATOM 0 H ASP A 66 -4.760 6.148 14.567 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.053 3.969 14.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.729 4.851 16.653 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.342 3.782 16.722 1.00 0.00 H new ATOM 944 N GLU A 67 -6.237 3.255 14.777 1.00 0.00 N ATOM 945 CA GLU A 67 -7.266 2.244 14.689 1.00 0.00 C ATOM 946 C GLU A 67 -7.105 1.471 13.389 1.00 0.00 C ATOM 947 O GLU A 67 -6.868 0.273 13.411 1.00 0.00 O ATOM 948 CB GLU A 67 -8.664 2.873 14.776 1.00 0.00 C ATOM 949 CG GLU A 67 -8.720 4.187 15.553 1.00 0.00 C ATOM 950 CD GLU A 67 -10.144 4.488 16.005 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.035 4.432 15.130 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.319 4.734 17.217 1.00 0.00 O ATOM 0 H GLU A 67 -6.604 4.191 14.950 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.160 1.558 15.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.034 3.047 13.766 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.341 2.159 15.245 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.063 4.130 16.421 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.353 5.001 14.928 1.00 0.00 H new ATOM 959 N GLN A 68 -7.222 2.161 12.252 1.00 0.00 N ATOM 960 CA GLN A 68 -7.054 1.576 10.938 1.00 0.00 C ATOM 961 C GLN A 68 -5.749 0.777 10.846 1.00 0.00 C ATOM 962 O GLN A 68 -5.768 -0.393 10.464 1.00 0.00 O ATOM 963 CB GLN A 68 -7.136 2.682 9.891 1.00 0.00 C ATOM 964 CG GLN A 68 -8.537 3.295 9.897 1.00 0.00 C ATOM 965 CD GLN A 68 -8.590 4.598 9.132 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.584 5.270 8.957 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.769 4.961 8.666 1.00 0.00 N ATOM 0 H GLN A 68 -7.440 3.157 12.228 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.855 0.861 10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.392 3.450 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.909 2.279 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.243 2.589 9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.853 3.466 10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.586 4.374 8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.864 5.829 8.139 1.00 0.00 H new ATOM 976 N MET A 69 -4.613 1.384 11.193 1.00 0.00 N ATOM 977 CA MET A 69 -3.346 0.667 11.199 1.00 0.00 C ATOM 978 C MET A 69 -3.440 -0.653 11.977 1.00 0.00 C ATOM 979 O MET A 69 -3.286 -1.725 11.391 1.00 0.00 O ATOM 980 CB MET A 69 -2.246 1.581 11.740 1.00 0.00 C ATOM 981 CG MET A 69 -2.023 2.778 10.817 1.00 0.00 C ATOM 982 SD MET A 69 -0.556 3.760 11.219 1.00 0.00 S ATOM 983 CE MET A 69 -1.343 5.338 11.574 1.00 0.00 C ATOM 0 H MET A 69 -4.548 2.363 11.471 1.00 0.00 H new ATOM 0 HA MET A 69 -3.092 0.392 10.175 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.517 1.931 12.736 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.318 1.018 11.841 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.937 2.421 9.791 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.901 3.423 10.858 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.650 5.975 12.123 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.620 5.825 10.639 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.237 5.172 12.175 1.00 0.00 H new ATOM 993 N ASP A 70 -3.733 -0.573 13.277 1.00 0.00 N ATOM 994 CA ASP A 70 -3.820 -1.717 14.181 1.00 0.00 C ATOM 995 C ASP A 70 -4.786 -2.767 13.633 1.00 0.00 C ATOM 996 O ASP A 70 -4.509 -3.966 13.617 1.00 0.00 O ATOM 997 CB ASP A 70 -4.305 -1.233 15.551 1.00 0.00 C ATOM 998 CG ASP A 70 -4.348 -2.385 16.544 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.265 -2.725 17.065 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.464 -2.907 16.758 1.00 0.00 O ATOM 0 H ASP A 70 -3.921 0.316 13.741 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.835 -2.174 14.273 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.642 -0.451 15.922 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.297 -0.791 15.456 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.919 -2.273 13.138 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.016 -3.050 12.593 1.00 0.00 C ATOM 1007 C ALA A 71 -6.595 -3.858 11.368 1.00 0.00 C ATOM 1008 O ALA A 71 -7.271 -4.826 11.022 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.154 -2.100 12.226 1.00 0.00 C ATOM 0 H ALA A 71 -6.100 -1.270 13.107 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.342 -3.763 13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.986 -2.671 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.485 -1.567 13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.804 -1.383 11.484 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.511 -3.459 10.696 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.959 -4.191 9.577 1.00 0.00 C ATOM 1017 C GLY A 72 -4.925 -3.353 8.318 1.00 0.00 C ATOM 1018 O GLY A 72 -4.980 -3.933 7.242 1.00 0.00 O ATOM 0 H GLY A 72 -4.995 -2.609 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.949 -4.521 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.553 -5.088 9.401 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.856 -2.022 8.403 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.827 -1.160 7.229 1.00 0.00 C ATOM 1024 C TYR A 73 -3.505 -0.422 7.069 1.00 0.00 C ATOM 1025 O TYR A 73 -2.676 -0.387 7.974 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.012 -0.211 7.242 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.328 -0.947 7.148 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.753 -1.434 5.900 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.207 -0.973 8.242 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.089 -1.821 5.722 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.544 -1.348 8.060 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.003 -1.709 6.785 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.277 -2.169 6.647 1.00 0.00 O ATOM 0 H TYR A 73 -4.819 -1.517 9.288 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.911 -1.801 6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.992 0.381 8.157 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.927 0.487 6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.053 -1.510 5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.852 -0.703 9.226 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.416 -2.206 4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.221 -1.359 8.901 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.876 -1.419 6.452 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.299 0.153 5.888 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.099 0.873 5.531 1.00 0.00 C ATOM 1045 C VAL A 74 -2.434 1.756 4.342 1.00 0.00 C ATOM 1046 O VAL A 74 -3.350 1.454 3.581 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.977 -0.123 5.221 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.307 -1.072 4.060 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.347 0.565 4.937 1.00 0.00 C ATOM 0 H VAL A 74 -3.988 0.125 5.136 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.746 1.501 6.349 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.884 -0.718 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.469 -1.750 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.199 -1.650 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.488 -0.491 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.108 -0.185 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.237 1.225 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.647 1.149 5.807 1.00 0.00 H new ATOM 1119 N ALA A 79 4.260 4.764 1.017 1.00 0.00 N ATOM 1120 CA ALA A 79 4.505 3.591 1.834 1.00 0.00 C ATOM 1121 C ALA A 79 5.708 2.841 1.275 1.00 0.00 C ATOM 1122 O ALA A 79 5.714 2.509 0.093 1.00 0.00 O ATOM 1123 CB ALA A 79 3.253 2.716 1.816 1.00 0.00 C ATOM 0 HA ALA A 79 4.723 3.871 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.421 1.829 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.410 3.279 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.034 2.416 0.791 1.00 0.00 H new ATOM 1129 N TYR A 80 6.712 2.591 2.115 1.00 0.00 N ATOM 1130 CA TYR A 80 7.957 1.920 1.770 1.00 0.00 C ATOM 1131 C TYR A 80 7.978 0.522 2.391 1.00 0.00 C ATOM 1132 O TYR A 80 7.813 0.394 3.604 1.00 0.00 O ATOM 1133 CB TYR A 80 9.108 2.701 2.387 1.00 0.00 C ATOM 1134 CG TYR A 80 9.322 4.082 1.809 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.844 4.218 0.512 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.009 5.227 2.562 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.023 5.493 -0.045 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.235 6.504 2.023 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.745 6.638 0.720 1.00 0.00 C ATOM 1140 OH TYR A 80 9.892 7.880 0.174 1.00 0.00 O ATOM 0 H TYR A 80 6.674 2.864 3.097 1.00 0.00 H new ATOM 0 HA TYR A 80 8.045 1.858 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.931 2.795 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.026 2.125 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.108 3.339 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.595 5.125 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.374 5.594 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.017 7.384 2.610 1.00 0.00 H new ATOM 0 HH TYR A 80 9.025 8.198 -0.154 1.00 0.00 H new ATOM 1150 N PRO A 81 8.187 -0.532 1.596 1.00 0.00 N ATOM 1151 CA PRO A 81 8.194 -1.894 2.102 1.00 0.00 C ATOM 1152 C PRO A 81 9.446 -2.184 2.933 1.00 0.00 C ATOM 1153 O PRO A 81 10.549 -2.112 2.410 1.00 0.00 O ATOM 1154 CB PRO A 81 8.087 -2.806 0.878 1.00 0.00 C ATOM 1155 CG PRO A 81 8.308 -1.902 -0.335 1.00 0.00 C ATOM 1156 CD PRO A 81 8.276 -0.466 0.150 1.00 0.00 C ATOM 0 HA PRO A 81 7.359 -2.065 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.833 -3.600 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.110 -3.288 0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.264 -2.125 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.534 -2.070 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.172 0.071 -0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.423 0.068 -0.269 1.00 0.00 H new ATOM 1164 N THR A 82 9.308 -2.533 4.218 1.00 0.00 N ATOM 1165 CA THR A 82 10.461 -2.747 5.090 1.00 0.00 C ATOM 1166 C THR A 82 10.919 -4.206 5.088 1.00 0.00 C ATOM 1167 O THR A 82 12.042 -4.508 5.501 1.00 0.00 O ATOM 1168 CB THR A 82 10.142 -2.249 6.505 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.864 -2.664 6.950 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.154 -0.718 6.537 1.00 0.00 C ATOM 0 H THR A 82 8.406 -2.672 4.674 1.00 0.00 H new ATOM 0 HA THR A 82 11.298 -2.167 4.700 1.00 0.00 H new ATOM 0 HB THR A 82 10.905 -2.673 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.588 -3.463 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.926 -0.373 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.139 -0.356 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.405 -0.334 5.845 1.00 0.00 H new ATOM 1178 N SER A 83 10.062 -5.117 4.626 1.00 0.00 N ATOM 1179 CA SER A 83 10.349 -6.529 4.453 1.00 0.00 C ATOM 1180 C SER A 83 9.383 -7.050 3.399 1.00 0.00 C ATOM 1181 O SER A 83 8.631 -6.263 2.821 1.00 0.00 O ATOM 1182 CB SER A 83 10.179 -7.268 5.789 1.00 0.00 C ATOM 1183 OG SER A 83 11.008 -6.705 6.789 1.00 0.00 O ATOM 0 H SER A 83 9.110 -4.874 4.352 1.00 0.00 H new ATOM 0 HA SER A 83 11.377 -6.692 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.137 -7.220 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.424 -8.322 5.659 1.00 0.00 H new ATOM 0 HG SER A 83 10.881 -7.191 7.631 1.00 0.00 H new ATOM 1189 N ASP A 84 9.384 -8.362 3.166 1.00 0.00 N ATOM 1190 CA ASP A 84 8.304 -9.019 2.460 1.00 0.00 C ATOM 1191 C ASP A 84 6.993 -8.703 3.179 1.00 0.00 C ATOM 1192 O ASP A 84 6.949 -8.604 4.406 1.00 0.00 O ATOM 1193 CB ASP A 84 8.571 -10.527 2.376 1.00 0.00 C ATOM 1194 CG ASP A 84 8.820 -11.143 3.747 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.785 -10.672 4.394 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.059 -12.064 4.111 1.00 0.00 O ATOM 0 H ASP A 84 10.132 -8.989 3.462 1.00 0.00 H new ATOM 0 HA ASP A 84 8.234 -8.653 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.719 -11.020 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.435 -10.707 1.736 1.00 0.00 H new ATOM 1201 N VAL A 85 5.943 -8.464 2.397 1.00 0.00 N ATOM 1202 CA VAL A 85 4.653 -8.012 2.908 1.00 0.00 C ATOM 1203 C VAL A 85 3.531 -8.506 1.995 1.00 0.00 C ATOM 1204 O VAL A 85 3.706 -8.649 0.785 1.00 0.00 O ATOM 1205 CB VAL A 85 4.664 -6.477 3.124 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.211 -5.774 1.882 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.305 -5.868 3.524 1.00 0.00 C ATOM 0 H VAL A 85 5.964 -8.580 1.384 1.00 0.00 H new ATOM 0 HA VAL A 85 4.462 -8.446 3.890 1.00 0.00 H new ATOM 0 HB VAL A 85 5.319 -6.310 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.214 -4.696 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.228 -6.115 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.581 -6.009 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.413 -4.791 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.572 -6.069 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.968 -6.313 4.460 1.00 0.00 H new ATOM 1217 N VAL A 86 2.367 -8.770 2.589 1.00 0.00 N ATOM 1218 CA VAL A 86 1.150 -9.097 1.873 1.00 0.00 C ATOM 1219 C VAL A 86 0.146 -8.029 2.273 1.00 0.00 C ATOM 1220 O VAL A 86 -0.089 -7.833 3.467 1.00 0.00 O ATOM 1221 CB VAL A 86 0.663 -10.504 2.256 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.584 -10.901 1.453 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.757 -11.547 1.998 1.00 0.00 C ATOM 0 H VAL A 86 2.249 -8.760 3.602 1.00 0.00 H new ATOM 0 HA VAL A 86 1.298 -9.111 0.793 1.00 0.00 H new ATOM 0 HB VAL A 86 0.417 -10.477 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.903 -11.901 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.386 -10.191 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.349 -10.894 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.390 -12.535 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.022 -11.543 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.637 -11.306 2.594 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.424 -7.328 1.295 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.426 -6.312 1.514 1.00 0.00 C ATOM 1235 C ILE A 87 -2.540 -6.480 0.477 1.00 0.00 C ATOM 1236 O ILE A 87 -2.291 -6.977 -0.619 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.742 -4.928 1.545 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.700 -3.733 1.491 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.403 -4.745 0.545 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.941 -3.342 0.043 1.00 0.00 C ATOM 0 H ILE A 87 -0.190 -7.461 0.311 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.916 -6.411 2.482 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.293 -4.932 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.644 -3.988 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.280 -2.891 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.817 -3.742 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.182 -5.481 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.026 -4.882 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.622 -2.492 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.994 -3.069 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.380 -4.184 -0.493 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.765 -6.074 0.811 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.873 -5.959 -0.131 1.00 0.00 C ATOM 1254 C GLU A 88 -5.024 -4.497 -0.527 1.00 0.00 C ATOM 1255 O GLU A 88 -5.253 -3.665 0.338 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.193 -6.404 0.501 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.170 -7.683 1.333 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.479 -7.900 2.091 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.355 -7.004 2.014 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.587 -8.953 2.750 1.00 0.00 O ATOM 0 H GLU A 88 -4.018 -5.811 1.764 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.655 -6.594 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.554 -5.594 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.924 -6.533 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.984 -8.536 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.344 -7.638 2.043 1.00 0.00 H new ATOM 1267 N THR A 89 -4.923 -4.161 -1.802 1.00 0.00 N ATOM 1268 CA THR A 89 -5.118 -2.803 -2.294 1.00 0.00 C ATOM 1269 C THR A 89 -6.611 -2.432 -2.290 1.00 0.00 C ATOM 1270 O THR A 89 -7.453 -3.259 -1.950 1.00 0.00 O ATOM 1271 CB THR A 89 -4.477 -2.746 -3.690 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.497 -4.041 -4.270 1.00 0.00 O ATOM 1273 CG2 THR A 89 -3.014 -2.333 -3.557 1.00 0.00 C ATOM 0 H THR A 89 -4.700 -4.832 -2.537 1.00 0.00 H new ATOM 0 HA THR A 89 -4.643 -2.063 -1.651 1.00 0.00 H new ATOM 0 HB THR A 89 -5.030 -2.035 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.082 -4.038 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.556 -2.292 -4.545 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.954 -1.351 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.485 -3.061 -2.942 1.00 0.00 H new ATOM 1281 N HIS A 90 -6.956 -1.208 -2.713 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.333 -0.771 -2.979 1.00 0.00 C ATOM 1283 C HIS A 90 -9.205 -0.735 -1.710 1.00 0.00 C ATOM 1284 O HIS A 90 -10.303 -1.286 -1.694 1.00 0.00 O ATOM 1285 CB HIS A 90 -8.995 -1.615 -4.095 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.061 -2.201 -5.113 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.587 -1.621 -6.265 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -7.473 -3.425 -5.000 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.687 -2.468 -6.801 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -6.585 -3.578 -6.058 1.00 0.00 N ATOM 0 H HIS A 90 -6.267 -0.476 -2.884 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.262 0.257 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.550 -2.429 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.722 -0.990 -4.614 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -7.865 -0.716 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.664 -4.150 -4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.126 -2.279 -7.704 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.726 -0.090 -0.641 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.373 -0.107 0.674 1.00 0.00 C ATOM 1300 C LYS A 91 -9.732 1.279 1.187 1.00 0.00 C ATOM 1301 O LYS A 91 -10.053 1.421 2.366 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.487 -0.861 1.669 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.162 -2.257 1.133 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.396 -3.136 1.069 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.214 -4.363 0.181 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.999 -5.507 0.683 1.00 0.00 N ATOM 0 H LYS A 91 -7.870 0.464 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.324 -0.629 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.565 -0.305 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.994 -0.941 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.724 -2.172 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.414 -2.727 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.656 -3.460 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.235 -2.547 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.522 -4.127 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.159 -4.633 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.151 -6.189 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.482 -5.970 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.919 -5.170 1.033 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.729 2.284 0.308 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.158 3.636 0.636 1.00 0.00 C ATOM 1322 C GLU A 92 -11.468 3.569 1.424 1.00 0.00 C ATOM 1323 O GLU A 92 -11.524 3.871 2.615 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.306 4.420 -0.678 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.623 5.901 -0.431 1.00 0.00 C ATOM 1326 CD GLU A 92 -9.406 6.714 -0.023 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -8.318 6.122 0.143 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -9.553 7.953 -0.033 1.00 0.00 O ATOM 0 H GLU A 92 -9.425 2.176 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.429 4.149 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.385 4.338 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.099 3.975 -1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.051 6.330 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.381 5.978 0.348 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.504 3.055 0.769 1.00 0.00 N ATOM 1336 CA GLU A 93 -13.826 2.910 1.342 1.00 0.00 C ATOM 1337 C GLU A 93 -13.979 1.638 2.197 1.00 0.00 C ATOM 1338 O GLU A 93 -15.100 1.193 2.432 1.00 0.00 O ATOM 1339 CB GLU A 93 -14.843 3.010 0.191 1.00 0.00 C ATOM 1340 CG GLU A 93 -14.689 1.909 -0.875 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.077 2.416 -2.256 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -16.266 2.762 -2.423 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -14.168 2.467 -3.112 1.00 0.00 O ATOM 0 H GLU A 93 -12.441 2.723 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.012 3.712 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.851 2.964 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.740 3.983 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.657 1.558 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.312 1.055 -0.611 1.00 0.00 H new ATOM 1350 N GLU A 94 -12.867 1.075 2.691 1.00 0.00 N ATOM 1351 CA GLU A 94 -12.849 0.115 3.781 1.00 0.00 C ATOM 1352 C GLU A 94 -12.232 0.740 5.036 1.00 0.00 C ATOM 1353 O GLU A 94 -12.504 0.240 6.129 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.056 -1.149 3.408 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.838 -2.252 2.677 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.165 -3.616 2.827 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.689 -3.921 3.947 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.073 -4.340 1.814 1.00 0.00 O ATOM 0 H GLU A 94 -11.937 1.286 2.328 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.883 -0.167 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.215 -0.853 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.639 -1.573 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.853 -2.301 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.919 -2.001 1.620 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.356 1.749 4.909 1.00 0.00 N ATOM 1366 CA ILE A 95 -10.766 2.379 6.073 1.00 0.00 C ATOM 1367 C ILE A 95 -11.685 3.435 6.682 1.00 0.00 C ATOM 1368 O ILE A 95 -11.864 3.438 7.902 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.327 2.869 5.820 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.218 3.977 4.778 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.452 1.677 5.442 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -7.870 4.681 4.792 1.00 0.00 C ATOM 0 H ILE A 95 -11.051 2.135 4.015 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.665 1.607 6.836 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.977 3.320 6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.390 3.554 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.006 4.710 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.432 2.017 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.454 0.952 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.844 1.210 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.857 5.458 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.705 5.132 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.080 3.958 4.588 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.225 4.340 5.861 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.048 5.435 6.364 1.00 0.00 C ATOM 1386 C VAL A 96 -14.483 4.944 6.583 1.00 0.00 C ATOM 1387 O VAL A 96 -14.846 3.920 5.958 1.00 0.00 O ATOM 1388 CB VAL A 96 -12.986 6.677 5.452 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.575 7.288 5.379 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.516 6.410 4.037 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.200 5.611 7.360 1.00 0.00 O ATOM 0 H VAL A 96 -12.105 4.333 4.848 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.646 5.756 7.325 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.648 7.403 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.589 8.159 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.257 7.590 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.878 6.548 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.446 7.322 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.922 5.626 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.557 6.092 4.092 1.00 0.00 H new