USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 460 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 10 THR OG1 : rot 76:sc= -0.355 USER MOD Set 1.2: A 31 GLN : amide:sc= 0 X(o=-0.38,f=-0.38) USER MOD Set 1.3: A 33 TYR OH : rot 180:sc= -0.0298 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0585 USER MOD Single : A 5 SER OG : rot 17:sc= 0.241 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.95 K(o=-2,f=-4.4!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 38:sc= 0.765 USER MOD Single : A 21 ASN : amide:sc= -6.31! C(o=-6.3!,f=-5.4!) USER MOD Single : A 23 MET CE :methyl -133:sc= -0.109 (180deg=-1.41) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.943 K(o=-0.94,f=-7.6!) USER MOD Single : A 38 HIS : no HE2:sc= -0.551 K(o=-0.55,f=-11!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 41 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.041) USER MOD Single : A 44 SER OG : rot 180:sc= -0.113 USER MOD Single : A 45 SER OG : rot 180:sc= -0.118 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 57 GLN : amide:sc= 0.372 K(o=0.37,f=-4.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.28 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.919 11.288 1.356 1.00 0.00 N ATOM 2 CA GLY A 1 -24.732 10.832 0.658 1.00 0.00 C ATOM 3 C GLY A 1 -24.308 9.439 1.082 1.00 0.00 C ATOM 4 O GLY A 1 -23.941 9.220 2.236 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.167 12.244 1.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.708 10.640 1.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.734 11.308 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.920 10.840 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.915 11.529 0.844 1.00 0.00 H new ATOM 8 N SER A 2 -24.361 8.496 0.147 1.00 0.00 N ATOM 9 CA SER A 2 -23.985 7.116 0.431 1.00 0.00 C ATOM 10 C SER A 2 -22.701 6.740 -0.304 1.00 0.00 C ATOM 11 O SER A 2 -22.698 6.573 -1.523 1.00 0.00 O ATOM 12 CB SER A 2 -25.113 6.165 0.029 1.00 0.00 C ATOM 13 OG SER A 2 -26.302 6.452 0.745 1.00 0.00 O ATOM 0 H SER A 2 -24.661 8.662 -0.814 1.00 0.00 H new ATOM 0 HA SER A 2 -23.809 7.027 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.300 6.250 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.810 5.135 0.219 1.00 0.00 H new ATOM 0 HG SER A 2 -27.008 5.831 0.469 1.00 0.00 H new ATOM 19 N SER A 3 -21.613 6.610 0.448 1.00 0.00 N ATOM 20 CA SER A 3 -20.322 6.258 -0.130 1.00 0.00 C ATOM 21 C SER A 3 -20.258 4.768 -0.451 1.00 0.00 C ATOM 22 O SER A 3 -19.926 4.376 -1.569 1.00 0.00 O ATOM 23 CB SER A 3 -19.190 6.634 0.828 1.00 0.00 C ATOM 24 OG SER A 3 -19.378 6.034 2.098 1.00 0.00 O ATOM 0 H SER A 3 -21.600 6.743 1.459 1.00 0.00 H new ATOM 0 HA SER A 3 -20.203 6.817 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.235 6.317 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.146 7.718 0.937 1.00 0.00 H new ATOM 0 HG SER A 3 -18.641 6.288 2.692 1.00 0.00 H new ATOM 30 N GLY A 4 -20.581 3.941 0.539 1.00 0.00 N ATOM 31 CA GLY A 4 -20.554 2.504 0.344 1.00 0.00 C ATOM 32 C GLY A 4 -19.168 1.919 0.529 1.00 0.00 C ATOM 33 O GLY A 4 -18.620 1.943 1.631 1.00 0.00 O ATOM 0 H GLY A 4 -20.861 4.241 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.241 2.032 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.913 2.270 -0.658 1.00 0.00 H new ATOM 37 N SER A 5 -18.601 1.390 -0.550 1.00 0.00 N ATOM 38 CA SER A 5 -17.273 0.791 -0.500 1.00 0.00 C ATOM 39 C SER A 5 -16.744 0.522 -1.906 1.00 0.00 C ATOM 40 O SER A 5 -17.437 -0.061 -2.740 1.00 0.00 O ATOM 41 CB SER A 5 -17.308 -0.512 0.302 1.00 0.00 C ATOM 42 OG SER A 5 -18.088 -1.495 -0.356 1.00 0.00 O ATOM 0 H SER A 5 -19.041 1.364 -1.470 1.00 0.00 H new ATOM 0 HA SER A 5 -16.603 1.495 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.293 -0.883 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.718 -0.321 1.294 1.00 0.00 H new ATOM 0 HG SER A 5 -18.222 -1.234 -1.291 1.00 0.00 H new ATOM 48 N SER A 6 -15.513 0.952 -2.160 1.00 0.00 N ATOM 49 CA SER A 6 -14.892 0.762 -3.466 1.00 0.00 C ATOM 50 C SER A 6 -13.419 0.393 -3.318 1.00 0.00 C ATOM 51 O SER A 6 -12.677 1.036 -2.576 1.00 0.00 O ATOM 52 CB SER A 6 -15.029 2.031 -4.309 1.00 0.00 C ATOM 53 OG SER A 6 -14.352 3.120 -3.706 1.00 0.00 O ATOM 0 H SER A 6 -14.926 1.434 -1.480 1.00 0.00 H new ATOM 0 HA SER A 6 -15.406 -0.057 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.625 1.854 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.084 2.278 -4.432 1.00 0.00 H new ATOM 0 HG SER A 6 -14.453 3.918 -4.265 1.00 0.00 H new ATOM 59 N GLY A 7 -13.002 -0.649 -4.031 1.00 0.00 N ATOM 60 CA GLY A 7 -11.619 -1.087 -3.966 1.00 0.00 C ATOM 61 C GLY A 7 -11.194 -1.849 -5.205 1.00 0.00 C ATOM 62 O GLY A 7 -10.940 -3.052 -5.146 1.00 0.00 O ATOM 0 H GLY A 7 -13.597 -1.198 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.972 -0.219 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.482 -1.720 -3.089 1.00 0.00 H new ATOM 66 N VAL A 8 -11.116 -1.147 -6.332 1.00 0.00 N ATOM 67 CA VAL A 8 -10.718 -1.765 -7.591 1.00 0.00 C ATOM 68 C VAL A 8 -9.374 -1.227 -8.067 1.00 0.00 C ATOM 69 O VAL A 8 -8.938 -0.155 -7.648 1.00 0.00 O ATOM 70 CB VAL A 8 -11.772 -1.529 -8.689 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.779 -2.683 -9.680 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.149 -1.336 -8.073 1.00 0.00 C ATOM 0 H VAL A 8 -11.323 -0.150 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.631 -2.835 -7.405 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.510 -0.619 -9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.530 -2.498 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.797 -2.769 -10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.015 -3.610 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.881 -1.170 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.422 -2.226 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.132 -0.473 -7.407 1.00 0.00 H new ATOM 82 N CYS A 9 -8.720 -1.979 -8.947 1.00 0.00 N ATOM 83 CA CYS A 9 -7.424 -1.578 -9.481 1.00 0.00 C ATOM 84 C CYS A 9 -7.516 -0.219 -10.168 1.00 0.00 C ATOM 85 O CYS A 9 -8.608 0.281 -10.439 1.00 0.00 O ATOM 86 CB CYS A 9 -6.910 -2.627 -10.469 1.00 0.00 C ATOM 87 SG CYS A 9 -5.130 -2.498 -10.832 1.00 0.00 S ATOM 0 H CYS A 9 -9.067 -2.869 -9.305 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.725 -1.498 -8.649 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.117 -3.620 -10.069 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.467 -2.536 -11.401 1.00 0.00 H new ATOM 92 N THR A 10 -6.360 0.376 -10.448 1.00 0.00 N ATOM 93 CA THR A 10 -6.309 1.677 -11.103 1.00 0.00 C ATOM 94 C THR A 10 -5.699 1.568 -12.496 1.00 0.00 C ATOM 95 O THR A 10 -5.633 2.553 -13.233 1.00 0.00 O ATOM 96 CB THR A 10 -5.495 2.690 -10.276 1.00 0.00 C ATOM 97 OG1 THR A 10 -5.953 2.696 -8.919 1.00 0.00 O ATOM 98 CG2 THR A 10 -5.614 4.088 -10.863 1.00 0.00 C ATOM 0 H THR A 10 -5.447 -0.023 -10.231 1.00 0.00 H new ATOM 0 HA THR A 10 -7.337 2.030 -11.187 1.00 0.00 H new ATOM 0 HB THR A 10 -4.448 2.390 -10.304 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.624 1.895 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.031 4.786 -10.262 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.237 4.087 -11.886 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.660 4.395 -10.863 1.00 0.00 H new ATOM 106 N ILE A 11 -5.256 0.367 -12.850 1.00 0.00 N ATOM 107 CA ILE A 11 -4.653 0.131 -14.156 1.00 0.00 C ATOM 108 C ILE A 11 -5.597 -0.650 -15.064 1.00 0.00 C ATOM 109 O ILE A 11 -5.873 -0.239 -16.192 1.00 0.00 O ATOM 110 CB ILE A 11 -3.325 -0.639 -14.032 1.00 0.00 C ATOM 111 CG1 ILE A 11 -2.341 0.137 -13.154 1.00 0.00 C ATOM 112 CG2 ILE A 11 -2.729 -0.892 -15.409 1.00 0.00 C ATOM 113 CD1 ILE A 11 -2.467 -0.179 -11.680 1.00 0.00 C ATOM 0 H ILE A 11 -5.303 -0.458 -12.251 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.457 1.109 -14.594 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.522 -1.602 -13.561 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.324 -0.084 -13.479 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.498 1.205 -13.303 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.791 -1.437 -15.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.426 -1.481 -16.005 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.542 0.060 -15.905 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.739 0.407 -11.119 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.472 0.069 -11.339 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.280 -1.241 -11.518 1.00 0.00 H new ATOM 125 N CYS A 12 -6.092 -1.778 -14.565 1.00 0.00 N ATOM 126 CA CYS A 12 -7.007 -2.616 -15.329 1.00 0.00 C ATOM 127 C CYS A 12 -8.422 -2.531 -14.766 1.00 0.00 C ATOM 128 O CYS A 12 -9.385 -2.937 -15.416 1.00 0.00 O ATOM 129 CB CYS A 12 -6.529 -4.070 -15.318 1.00 0.00 C ATOM 130 SG CYS A 12 -6.502 -4.832 -13.664 1.00 0.00 S ATOM 0 H CYS A 12 -5.874 -2.133 -13.634 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.021 -2.252 -16.356 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.177 -4.659 -15.967 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.526 -4.115 -15.743 1.00 0.00 H new ATOM 135 N GLN A 13 -8.540 -2.000 -13.553 1.00 0.00 N ATOM 136 CA GLN A 13 -9.837 -1.861 -12.902 1.00 0.00 C ATOM 137 C GLN A 13 -10.449 -3.228 -12.612 1.00 0.00 C ATOM 138 O GLN A 13 -11.617 -3.472 -12.913 1.00 0.00 O ATOM 139 CB GLN A 13 -10.785 -1.040 -13.778 1.00 0.00 C ATOM 140 CG GLN A 13 -10.165 0.240 -14.312 1.00 0.00 C ATOM 141 CD GLN A 13 -9.580 1.107 -13.214 1.00 0.00 C ATOM 142 OE1 GLN A 13 -8.469 1.623 -13.341 1.00 0.00 O ATOM 143 NE2 GLN A 13 -10.327 1.272 -12.129 1.00 0.00 N ATOM 0 H GLN A 13 -7.753 -1.659 -13.001 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.687 -1.342 -11.955 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.113 -1.653 -14.618 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.675 -0.789 -13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.382 -0.011 -15.028 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.922 0.807 -14.854 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.242 0.825 -12.067 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.986 1.845 -11.357 1.00 0.00 H new ATOM 152 N GLU A 14 -9.652 -4.115 -12.026 1.00 0.00 N ATOM 153 CA GLU A 14 -10.116 -5.458 -11.696 1.00 0.00 C ATOM 154 C GLU A 14 -9.943 -5.744 -10.207 1.00 0.00 C ATOM 155 O GLU A 14 -8.898 -5.450 -9.626 1.00 0.00 O ATOM 156 CB GLU A 14 -9.356 -6.501 -12.519 1.00 0.00 C ATOM 157 CG GLU A 14 -9.768 -6.541 -13.981 1.00 0.00 C ATOM 158 CD GLU A 14 -11.168 -7.089 -14.177 1.00 0.00 C ATOM 159 OE1 GLU A 14 -11.707 -7.697 -13.228 1.00 0.00 O ATOM 160 OE2 GLU A 14 -11.726 -6.910 -15.280 1.00 0.00 O ATOM 0 H GLU A 14 -8.682 -3.929 -11.770 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.177 -5.517 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.288 -6.293 -12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.515 -7.485 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.714 -5.535 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.060 -7.155 -14.538 1.00 0.00 H new ATOM 167 N GLU A 15 -10.974 -6.318 -9.597 1.00 0.00 N ATOM 168 CA GLU A 15 -10.936 -6.642 -8.175 1.00 0.00 C ATOM 169 C GLU A 15 -10.160 -7.933 -7.932 1.00 0.00 C ATOM 170 O GLU A 15 -9.511 -8.095 -6.898 1.00 0.00 O ATOM 171 CB GLU A 15 -12.356 -6.776 -7.622 1.00 0.00 C ATOM 172 CG GLU A 15 -13.153 -5.483 -7.669 1.00 0.00 C ATOM 173 CD GLU A 15 -13.899 -5.305 -8.977 1.00 0.00 C ATOM 174 OE1 GLU A 15 -13.436 -5.845 -10.003 1.00 0.00 O ATOM 175 OE2 GLU A 15 -14.947 -4.625 -8.974 1.00 0.00 O ATOM 0 H GLU A 15 -11.846 -6.568 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.427 -5.829 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.887 -7.541 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.304 -7.123 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.865 -5.469 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.479 -4.639 -7.522 1.00 0.00 H new ATOM 182 N TYR A 16 -10.232 -8.849 -8.891 1.00 0.00 N ATOM 183 CA TYR A 16 -9.539 -10.127 -8.781 1.00 0.00 C ATOM 184 C TYR A 16 -8.066 -9.921 -8.441 1.00 0.00 C ATOM 185 O TYR A 16 -7.439 -8.966 -8.899 1.00 0.00 O ATOM 186 CB TYR A 16 -9.667 -10.915 -10.086 1.00 0.00 C ATOM 187 CG TYR A 16 -8.577 -10.607 -11.088 1.00 0.00 C ATOM 188 CD1 TYR A 16 -7.254 -10.942 -10.830 1.00 0.00 C ATOM 189 CD2 TYR A 16 -8.871 -9.981 -12.293 1.00 0.00 C ATOM 190 CE1 TYR A 16 -6.255 -10.662 -11.742 1.00 0.00 C ATOM 191 CE2 TYR A 16 -7.879 -9.699 -13.212 1.00 0.00 C ATOM 192 CZ TYR A 16 -6.572 -10.041 -12.932 1.00 0.00 C ATOM 193 OH TYR A 16 -5.581 -9.760 -13.844 1.00 0.00 O ATOM 0 H TYR A 16 -10.763 -8.730 -9.754 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.004 -10.694 -7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.651 -11.981 -9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.635 -10.700 -10.537 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.002 -11.430 -9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.893 -9.710 -12.515 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.231 -10.928 -11.524 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.125 -9.213 -14.145 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.973 -9.323 -14.629 1.00 0.00 H new ATOM 203 N SER A 17 -7.520 -10.825 -7.633 1.00 0.00 N ATOM 204 CA SER A 17 -6.122 -10.742 -7.228 1.00 0.00 C ATOM 205 C SER A 17 -5.534 -12.133 -7.015 1.00 0.00 C ATOM 206 O SER A 17 -5.818 -12.792 -6.015 1.00 0.00 O ATOM 207 CB SER A 17 -5.989 -9.918 -5.946 1.00 0.00 C ATOM 208 OG SER A 17 -6.737 -10.494 -4.889 1.00 0.00 O ATOM 0 H SER A 17 -8.025 -11.623 -7.246 1.00 0.00 H new ATOM 0 HA SER A 17 -5.567 -10.251 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.939 -9.853 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.334 -8.900 -6.127 1.00 0.00 H new ATOM 0 HG SER A 17 -6.679 -11.471 -4.942 1.00 0.00 H new ATOM 214 N GLU A 18 -4.713 -12.574 -7.963 1.00 0.00 N ATOM 215 CA GLU A 18 -4.086 -13.887 -7.880 1.00 0.00 C ATOM 216 C GLU A 18 -2.580 -13.787 -8.106 1.00 0.00 C ATOM 217 O GLU A 18 -2.127 -13.433 -9.194 1.00 0.00 O ATOM 218 CB GLU A 18 -4.704 -14.838 -8.907 1.00 0.00 C ATOM 219 CG GLU A 18 -4.679 -16.296 -8.480 1.00 0.00 C ATOM 220 CD GLU A 18 -3.400 -17.001 -8.887 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.066 -16.978 -10.090 1.00 0.00 O ATOM 222 OE2 GLU A 18 -2.733 -17.577 -8.001 1.00 0.00 O ATOM 0 H GLU A 18 -4.467 -12.041 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.260 -14.281 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.736 -14.540 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.170 -14.736 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.794 -16.356 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.531 -16.814 -8.920 1.00 0.00 H new ATOM 229 N ALA A 19 -1.810 -14.101 -7.069 1.00 0.00 N ATOM 230 CA ALA A 19 -0.356 -14.047 -7.154 1.00 0.00 C ATOM 231 C ALA A 19 0.160 -14.920 -8.293 1.00 0.00 C ATOM 232 O ALA A 19 -0.441 -15.933 -8.653 1.00 0.00 O ATOM 233 CB ALA A 19 0.266 -14.477 -5.833 1.00 0.00 C ATOM 0 H ALA A 19 -2.169 -14.395 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.067 -13.017 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.352 -14.432 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.069 -13.810 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.039 -15.498 -5.602 1.00 0.00 H new ATOM 239 N PRO A 20 1.300 -14.521 -8.876 1.00 0.00 N ATOM 240 CA PRO A 20 2.024 -13.317 -8.456 1.00 0.00 C ATOM 241 C PRO A 20 1.278 -12.037 -8.815 1.00 0.00 C ATOM 242 O PRO A 20 1.753 -10.935 -8.547 1.00 0.00 O ATOM 243 CB PRO A 20 3.339 -13.405 -9.234 1.00 0.00 C ATOM 244 CG PRO A 20 3.016 -14.228 -10.433 1.00 0.00 C ATOM 245 CD PRO A 20 1.970 -15.213 -9.989 1.00 0.00 C ATOM 0 HA PRO A 20 2.154 -13.276 -7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.698 -12.416 -9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.123 -13.869 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.645 -13.604 -11.246 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.903 -14.741 -10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.273 -15.449 -10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.415 -16.154 -9.667 1.00 0.00 H new ATOM 253 N ASN A 21 0.106 -12.191 -9.423 1.00 0.00 N ATOM 254 CA ASN A 21 -0.707 -11.047 -9.818 1.00 0.00 C ATOM 255 C ASN A 21 -1.598 -10.589 -8.668 1.00 0.00 C ATOM 256 O ASN A 21 -2.788 -10.338 -8.855 1.00 0.00 O ATOM 257 CB ASN A 21 -1.566 -11.400 -11.034 1.00 0.00 C ATOM 258 CG ASN A 21 -1.903 -10.185 -11.877 1.00 0.00 C ATOM 259 OD1 ASN A 21 -1.957 -10.263 -13.104 1.00 0.00 O ATOM 260 ND2 ASN A 21 -2.131 -9.055 -11.219 1.00 0.00 N ATOM 0 H ASN A 21 -0.302 -13.097 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.035 -10.230 -10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.039 -12.130 -11.648 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.489 -11.873 -10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.362 -8.204 -11.732 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.075 -9.038 -10.201 1.00 0.00 H new ATOM 267 N GLU A 22 -1.013 -10.483 -7.479 1.00 0.00 N ATOM 268 CA GLU A 22 -1.755 -10.055 -6.299 1.00 0.00 C ATOM 269 C GLU A 22 -2.139 -8.582 -6.402 1.00 0.00 C ATOM 270 O GLU A 22 -1.902 -7.938 -7.423 1.00 0.00 O ATOM 271 CB GLU A 22 -0.926 -10.290 -5.035 1.00 0.00 C ATOM 272 CG GLU A 22 -1.178 -11.639 -4.383 1.00 0.00 C ATOM 273 CD GLU A 22 -0.149 -11.976 -3.322 1.00 0.00 C ATOM 274 OE1 GLU A 22 1.061 -11.899 -3.621 1.00 0.00 O ATOM 275 OE2 GLU A 22 -0.554 -12.317 -2.190 1.00 0.00 O ATOM 0 H GLU A 22 -0.029 -10.687 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.668 -10.647 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.132 -10.209 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.145 -9.501 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.171 -11.641 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.172 -12.415 -5.149 1.00 0.00 H new ATOM 282 N MET A 23 -2.735 -8.056 -5.336 1.00 0.00 N ATOM 283 CA MET A 23 -3.152 -6.659 -5.306 1.00 0.00 C ATOM 284 C MET A 23 -2.532 -5.932 -4.117 1.00 0.00 C ATOM 285 O MET A 23 -2.224 -6.544 -3.094 1.00 0.00 O ATOM 286 CB MET A 23 -4.678 -6.561 -5.240 1.00 0.00 C ATOM 287 CG MET A 23 -5.194 -5.131 -5.205 1.00 0.00 C ATOM 288 SD MET A 23 -6.994 -5.044 -5.143 1.00 0.00 S ATOM 289 CE MET A 23 -7.386 -4.912 -6.886 1.00 0.00 C ATOM 0 H MET A 23 -2.940 -8.576 -4.483 1.00 0.00 H new ATOM 0 HA MET A 23 -2.804 -6.182 -6.222 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.104 -7.071 -6.104 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.030 -7.087 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.779 -4.620 -4.336 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.838 -4.599 -6.087 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.111 -4.112 -7.036 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.478 -4.690 -7.447 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.808 -5.854 -7.236 1.00 0.00 H new ATOM 299 N VAL A 24 -2.351 -4.623 -4.258 1.00 0.00 N ATOM 300 CA VAL A 24 -1.768 -3.812 -3.195 1.00 0.00 C ATOM 301 C VAL A 24 -2.417 -2.434 -3.137 1.00 0.00 C ATOM 302 O VAL A 24 -2.489 -1.728 -4.143 1.00 0.00 O ATOM 303 CB VAL A 24 -0.249 -3.646 -3.386 1.00 0.00 C ATOM 304 CG1 VAL A 24 0.334 -2.770 -2.287 1.00 0.00 C ATOM 305 CG2 VAL A 24 0.436 -5.003 -3.417 1.00 0.00 C ATOM 0 H VAL A 24 -2.600 -4.101 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.953 -4.336 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.072 -3.154 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.408 -2.664 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.136 -1.787 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.148 -3.231 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.509 -4.866 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.253 -5.525 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.038 -5.593 -4.243 1.00 0.00 H new ATOM 315 N ILE A 25 -2.886 -2.057 -1.952 1.00 0.00 N ATOM 316 CA ILE A 25 -3.527 -0.762 -1.762 1.00 0.00 C ATOM 317 C ILE A 25 -2.538 0.268 -1.228 1.00 0.00 C ATOM 318 O ILE A 25 -1.695 -0.043 -0.386 1.00 0.00 O ATOM 319 CB ILE A 25 -4.721 -0.861 -0.794 1.00 0.00 C ATOM 320 CG1 ILE A 25 -5.677 -1.969 -1.240 1.00 0.00 C ATOM 321 CG2 ILE A 25 -5.449 0.473 -0.712 1.00 0.00 C ATOM 322 CD1 ILE A 25 -6.433 -1.641 -2.509 1.00 0.00 C ATOM 0 H ILE A 25 -2.834 -2.630 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.888 -0.443 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.345 -1.109 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.110 -2.888 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.392 -2.164 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.290 0.387 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.763 1.240 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.816 0.749 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.091 -2.471 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.027 -0.740 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.726 -1.475 -3.321 1.00 0.00 H new ATOM 334 N CYS A 26 -2.647 1.497 -1.722 1.00 0.00 N ATOM 335 CA CYS A 26 -1.763 2.575 -1.295 1.00 0.00 C ATOM 336 C CYS A 26 -2.199 3.131 0.058 1.00 0.00 C ATOM 337 O CYS A 26 -3.385 3.128 0.389 1.00 0.00 O ATOM 338 CB CYS A 26 -1.748 3.694 -2.338 1.00 0.00 C ATOM 339 SG CYS A 26 -0.775 5.154 -1.847 1.00 0.00 S ATOM 0 H CYS A 26 -3.339 1.771 -2.419 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.757 2.168 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.347 3.300 -3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.774 4.004 -2.537 1.00 0.00 H new ATOM 344 N ASP A 27 -1.232 3.608 0.834 1.00 0.00 N ATOM 345 CA ASP A 27 -1.516 4.169 2.150 1.00 0.00 C ATOM 346 C ASP A 27 -1.946 5.628 2.038 1.00 0.00 C ATOM 347 O ASP A 27 -2.830 6.084 2.763 1.00 0.00 O ATOM 348 CB ASP A 27 -0.286 4.055 3.052 1.00 0.00 C ATOM 349 CG ASP A 27 -0.555 4.541 4.463 1.00 0.00 C ATOM 350 OD1 ASP A 27 -1.239 5.575 4.613 1.00 0.00 O ATOM 351 OD2 ASP A 27 -0.081 3.889 5.416 1.00 0.00 O ATOM 0 H ASP A 27 -0.245 3.618 0.575 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.335 3.601 2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.041 3.016 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.531 4.633 2.621 1.00 0.00 H new ATOM 356 N LYS A 28 -1.313 6.357 1.125 1.00 0.00 N ATOM 357 CA LYS A 28 -1.629 7.765 0.916 1.00 0.00 C ATOM 358 C LYS A 28 -2.959 7.922 0.186 1.00 0.00 C ATOM 359 O LYS A 28 -3.959 8.333 0.777 1.00 0.00 O ATOM 360 CB LYS A 28 -0.515 8.446 0.118 1.00 0.00 C ATOM 361 CG LYS A 28 -0.737 9.935 -0.088 1.00 0.00 C ATOM 362 CD LYS A 28 0.579 10.691 -0.161 1.00 0.00 C ATOM 363 CE LYS A 28 1.127 10.990 1.226 1.00 0.00 C ATOM 364 NZ LYS A 28 2.323 11.876 1.171 1.00 0.00 N ATOM 0 H LYS A 28 -0.578 5.996 0.518 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.712 8.241 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.433 8.297 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.428 7.962 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.301 10.096 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.340 10.330 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.306 10.104 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.434 11.624 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.352 11.463 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.390 10.056 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.666 12.056 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.072 11.414 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.067 12.778 0.721 1.00 0.00 H new ATOM 378 N CYS A 29 -2.966 7.590 -1.100 1.00 0.00 N ATOM 379 CA CYS A 29 -4.174 7.693 -1.911 1.00 0.00 C ATOM 380 C CYS A 29 -5.254 6.744 -1.400 1.00 0.00 C ATOM 381 O CYS A 29 -6.309 7.177 -0.939 1.00 0.00 O ATOM 382 CB CYS A 29 -3.858 7.383 -3.375 1.00 0.00 C ATOM 383 SG CYS A 29 -2.306 8.125 -3.975 1.00 0.00 S ATOM 0 H CYS A 29 -2.148 7.247 -1.604 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.547 8.714 -1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.804 6.302 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.681 7.737 -3.996 1.00 0.00 H new ATOM 388 N GLY A 30 -4.981 5.445 -1.485 1.00 0.00 N ATOM 389 CA GLY A 30 -5.939 4.455 -1.028 1.00 0.00 C ATOM 390 C GLY A 30 -6.453 3.582 -2.155 1.00 0.00 C ATOM 391 O GLY A 30 -7.463 2.896 -2.005 1.00 0.00 O ATOM 0 H GLY A 30 -4.114 5.061 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.473 3.826 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.779 4.960 -0.552 1.00 0.00 H new ATOM 395 N GLN A 31 -5.757 3.609 -3.288 1.00 0.00 N ATOM 396 CA GLN A 31 -6.151 2.815 -4.445 1.00 0.00 C ATOM 397 C GLN A 31 -5.340 1.526 -4.524 1.00 0.00 C ATOM 398 O GLN A 31 -4.289 1.404 -3.897 1.00 0.00 O ATOM 399 CB GLN A 31 -5.970 3.625 -5.731 1.00 0.00 C ATOM 400 CG GLN A 31 -6.813 4.889 -5.778 1.00 0.00 C ATOM 401 CD GLN A 31 -6.979 5.428 -7.185 1.00 0.00 C ATOM 402 OE1 GLN A 31 -7.972 5.148 -7.856 1.00 0.00 O ATOM 403 NE2 GLN A 31 -6.004 6.207 -7.639 1.00 0.00 N ATOM 0 H GLN A 31 -4.918 4.172 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.203 2.554 -4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.919 3.895 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.224 2.997 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.796 4.682 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.351 5.653 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.199 6.413 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.061 6.599 -8.579 1.00 0.00 H new ATOM 412 N GLY A 32 -5.837 0.566 -5.298 1.00 0.00 N ATOM 413 CA GLY A 32 -5.146 -0.701 -5.443 1.00 0.00 C ATOM 414 C GLY A 32 -4.351 -0.784 -6.731 1.00 0.00 C ATOM 415 O GLY A 32 -4.700 -0.149 -7.727 1.00 0.00 O ATOM 0 H GLY A 32 -6.706 0.644 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.475 -0.845 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.873 -1.513 -5.415 1.00 0.00 H new ATOM 419 N TYR A 33 -3.278 -1.567 -6.713 1.00 0.00 N ATOM 420 CA TYR A 33 -2.428 -1.727 -7.887 1.00 0.00 C ATOM 421 C TYR A 33 -1.836 -3.131 -7.944 1.00 0.00 C ATOM 422 O TYR A 33 -0.931 -3.468 -7.180 1.00 0.00 O ATOM 423 CB TYR A 33 -1.305 -0.688 -7.876 1.00 0.00 C ATOM 424 CG TYR A 33 -1.800 0.737 -7.765 1.00 0.00 C ATOM 425 CD1 TYR A 33 -2.267 1.239 -6.556 1.00 0.00 C ATOM 426 CD2 TYR A 33 -1.800 1.581 -8.868 1.00 0.00 C ATOM 427 CE1 TYR A 33 -2.721 2.539 -6.450 1.00 0.00 C ATOM 428 CE2 TYR A 33 -2.250 2.883 -8.771 1.00 0.00 C ATOM 429 CZ TYR A 33 -2.709 3.358 -7.560 1.00 0.00 C ATOM 430 OH TYR A 33 -3.160 4.654 -7.460 1.00 0.00 O ATOM 0 H TYR A 33 -2.976 -2.101 -5.898 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.045 -1.576 -8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.636 -0.897 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.718 -0.790 -8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.275 0.601 -5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.442 1.213 -9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.083 2.912 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.243 3.526 -9.639 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.083 5.095 -8.332 1.00 0.00 H new ATOM 440 N HIS A 34 -2.353 -3.948 -8.856 1.00 0.00 N ATOM 441 CA HIS A 34 -1.876 -5.317 -9.015 1.00 0.00 C ATOM 442 C HIS A 34 -0.363 -5.346 -9.208 1.00 0.00 C ATOM 443 O HIS A 34 0.240 -4.348 -9.602 1.00 0.00 O ATOM 444 CB HIS A 34 -2.566 -5.986 -10.204 1.00 0.00 C ATOM 445 CG HIS A 34 -4.024 -6.246 -9.982 1.00 0.00 C ATOM 446 ND1 HIS A 34 -5.006 -5.819 -10.851 1.00 0.00 N ATOM 447 CD2 HIS A 34 -4.665 -6.895 -8.982 1.00 0.00 C ATOM 448 CE1 HIS A 34 -6.188 -6.193 -10.394 1.00 0.00 C ATOM 449 NE2 HIS A 34 -6.009 -6.848 -9.261 1.00 0.00 N ATOM 0 H HIS A 34 -3.102 -3.686 -9.496 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.120 -5.868 -8.107 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.448 -5.354 -11.084 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.066 -6.930 -10.420 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.205 -7.363 -8.124 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.139 -5.997 -10.867 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.748 -7.253 -8.687 1.00 0.00 H new ATOM 457 N GLN A 35 0.243 -6.495 -8.927 1.00 0.00 N ATOM 458 CA GLN A 35 1.686 -6.652 -9.069 1.00 0.00 C ATOM 459 C GLN A 35 2.094 -6.627 -10.538 1.00 0.00 C ATOM 460 O GLN A 35 3.230 -6.288 -10.872 1.00 0.00 O ATOM 461 CB GLN A 35 2.144 -7.960 -8.422 1.00 0.00 C ATOM 462 CG GLN A 35 2.038 -7.958 -6.905 1.00 0.00 C ATOM 463 CD GLN A 35 2.862 -9.056 -6.262 1.00 0.00 C ATOM 464 OE1 GLN A 35 2.321 -10.048 -5.773 1.00 0.00 O ATOM 465 NE2 GLN A 35 4.179 -8.884 -6.258 1.00 0.00 N ATOM 0 H GLN A 35 -0.242 -7.330 -8.600 1.00 0.00 H new ATOM 0 HA GLN A 35 2.169 -5.816 -8.563 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.546 -8.781 -8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.179 -8.153 -8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.366 -6.991 -6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.993 -8.077 -6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.585 -8.046 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.784 -9.590 -5.838 1.00 0.00 H new ATOM 474 N LEU A 36 1.162 -6.990 -11.412 1.00 0.00 N ATOM 475 CA LEU A 36 1.425 -7.010 -12.847 1.00 0.00 C ATOM 476 C LEU A 36 0.792 -5.804 -13.534 1.00 0.00 C ATOM 477 O LEU A 36 0.635 -5.782 -14.755 1.00 0.00 O ATOM 478 CB LEU A 36 0.890 -8.302 -13.466 1.00 0.00 C ATOM 479 CG LEU A 36 1.500 -9.601 -12.938 1.00 0.00 C ATOM 480 CD1 LEU A 36 0.949 -10.798 -13.698 1.00 0.00 C ATOM 481 CD2 LEU A 36 3.018 -9.557 -13.037 1.00 0.00 C ATOM 0 H LEU A 36 0.217 -7.274 -11.152 1.00 0.00 H new ATOM 0 HA LEU A 36 2.504 -6.964 -12.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.188 -8.339 -13.307 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.052 -8.260 -14.543 1.00 0.00 H new ATOM 0 HG LEU A 36 1.227 -9.707 -11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.395 -11.713 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.133 -10.840 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.190 -10.699 -14.756 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.435 -10.490 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.311 -9.427 -14.079 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.397 -8.723 -12.446 1.00 0.00 H new ATOM 493 N CYS A 37 0.431 -4.800 -12.741 1.00 0.00 N ATOM 494 CA CYS A 37 -0.184 -3.589 -13.271 1.00 0.00 C ATOM 495 C CYS A 37 0.679 -2.366 -12.975 1.00 0.00 C ATOM 496 O CYS A 37 0.955 -1.558 -13.862 1.00 0.00 O ATOM 497 CB CYS A 37 -1.580 -3.398 -12.675 1.00 0.00 C ATOM 498 SG CYS A 37 -2.874 -4.398 -13.478 1.00 0.00 S ATOM 0 H CYS A 37 0.554 -4.802 -11.728 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.270 -3.698 -14.352 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.548 -3.648 -11.615 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.853 -2.345 -12.746 1.00 0.00 H new ATOM 503 N HIS A 38 1.103 -2.238 -11.722 1.00 0.00 N ATOM 504 CA HIS A 38 1.937 -1.114 -11.308 1.00 0.00 C ATOM 505 C HIS A 38 3.263 -1.115 -12.062 1.00 0.00 C ATOM 506 O HIS A 38 3.584 -2.066 -12.776 1.00 0.00 O ATOM 507 CB HIS A 38 2.193 -1.169 -9.802 1.00 0.00 C ATOM 508 CG HIS A 38 2.914 0.032 -9.273 1.00 0.00 C ATOM 509 ND1 HIS A 38 4.284 0.084 -9.128 1.00 0.00 N ATOM 510 CD2 HIS A 38 2.447 1.232 -8.854 1.00 0.00 C ATOM 511 CE1 HIS A 38 4.629 1.263 -8.642 1.00 0.00 C ATOM 512 NE2 HIS A 38 3.532 1.978 -8.467 1.00 0.00 N ATOM 0 H HIS A 38 0.883 -2.898 -10.976 1.00 0.00 H new ATOM 0 HA HIS A 38 1.405 -0.192 -11.545 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.240 -1.268 -9.283 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.775 -2.062 -9.573 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.930 -0.670 -9.360 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.413 1.544 -8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.636 1.587 -8.425 1.00 0.00 H new ATOM 520 N THR A 39 4.031 -0.042 -11.900 1.00 0.00 N ATOM 521 CA THR A 39 5.322 0.082 -12.566 1.00 0.00 C ATOM 522 C THR A 39 6.274 0.959 -11.761 1.00 0.00 C ATOM 523 O THR A 39 5.995 2.125 -11.480 1.00 0.00 O ATOM 524 CB THR A 39 5.169 0.673 -13.980 1.00 0.00 C ATOM 525 OG1 THR A 39 4.146 -0.028 -14.696 1.00 0.00 O ATOM 526 CG2 THR A 39 6.481 0.589 -14.746 1.00 0.00 C ATOM 0 H THR A 39 3.781 0.754 -11.313 1.00 0.00 H new ATOM 0 HA THR A 39 5.736 -0.923 -12.643 1.00 0.00 H new ATOM 0 HB THR A 39 4.890 1.722 -13.884 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.054 0.355 -15.593 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.349 1.012 -15.742 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.250 1.148 -14.213 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.786 -0.454 -14.833 1.00 0.00 H new ATOM 534 N PRO A 40 7.426 0.388 -11.380 1.00 0.00 N ATOM 535 CA PRO A 40 7.769 -0.999 -11.709 1.00 0.00 C ATOM 536 C PRO A 40 6.908 -2.004 -10.951 1.00 0.00 C ATOM 537 O PRO A 40 6.417 -1.717 -9.859 1.00 0.00 O ATOM 538 CB PRO A 40 9.232 -1.115 -11.275 1.00 0.00 C ATOM 539 CG PRO A 40 9.397 -0.079 -10.218 1.00 0.00 C ATOM 540 CD PRO A 40 8.484 1.053 -10.600 1.00 0.00 C ATOM 0 HA PRO A 40 7.604 -1.221 -12.763 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.453 -2.111 -10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.908 -0.938 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.136 -0.477 -9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.432 0.257 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.080 1.557 -9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.004 1.808 -11.190 1.00 0.00 H new ATOM 548 N HIS A 41 6.728 -3.183 -11.538 1.00 0.00 N ATOM 549 CA HIS A 41 5.926 -4.231 -10.917 1.00 0.00 C ATOM 550 C HIS A 41 6.212 -4.320 -9.421 1.00 0.00 C ATOM 551 O HIS A 41 7.368 -4.401 -9.004 1.00 0.00 O ATOM 552 CB HIS A 41 6.206 -5.579 -11.582 1.00 0.00 C ATOM 553 CG HIS A 41 5.858 -5.611 -13.039 1.00 0.00 C ATOM 554 ND1 HIS A 41 6.600 -6.301 -13.974 1.00 0.00 N ATOM 555 CD2 HIS A 41 4.839 -5.035 -13.719 1.00 0.00 C ATOM 556 CE1 HIS A 41 6.054 -6.146 -15.167 1.00 0.00 C ATOM 557 NE2 HIS A 41 4.983 -5.383 -15.039 1.00 0.00 N ATOM 0 H HIS A 41 7.126 -3.436 -12.442 1.00 0.00 H new ATOM 0 HA HIS A 41 4.875 -3.978 -11.054 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.262 -5.821 -11.464 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.641 -6.355 -11.065 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.058 -4.417 -13.301 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.421 -6.571 -16.090 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.364 -5.099 -15.798 1.00 0.00 H new ATOM 565 N ILE A 42 5.153 -4.303 -8.618 1.00 0.00 N ATOM 566 CA ILE A 42 5.292 -4.382 -7.169 1.00 0.00 C ATOM 567 C ILE A 42 5.929 -5.703 -6.749 1.00 0.00 C ATOM 568 O ILE A 42 5.674 -6.746 -7.352 1.00 0.00 O ATOM 569 CB ILE A 42 3.931 -4.235 -6.465 1.00 0.00 C ATOM 570 CG1 ILE A 42 3.354 -2.839 -6.710 1.00 0.00 C ATOM 571 CG2 ILE A 42 4.074 -4.500 -4.974 1.00 0.00 C ATOM 572 CD1 ILE A 42 1.912 -2.696 -6.274 1.00 0.00 C ATOM 0 H ILE A 42 4.190 -4.235 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 42 5.939 -3.558 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 42 3.243 -4.971 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.960 -2.106 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.429 -2.605 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.103 -4.392 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.446 -5.513 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.775 -3.785 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.569 -1.682 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.294 -3.405 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.833 -2.898 -5.206 1.00 0.00 H new ATOM 584 N ASP A 43 6.756 -5.651 -5.711 1.00 0.00 N ATOM 585 CA ASP A 43 7.427 -6.843 -5.207 1.00 0.00 C ATOM 586 C ASP A 43 6.513 -7.626 -4.270 1.00 0.00 C ATOM 587 O ASP A 43 5.562 -7.078 -3.713 1.00 0.00 O ATOM 588 CB ASP A 43 8.717 -6.460 -4.480 1.00 0.00 C ATOM 589 CG ASP A 43 9.902 -6.358 -5.420 1.00 0.00 C ATOM 590 OD1 ASP A 43 9.731 -5.824 -6.535 1.00 0.00 O ATOM 591 OD2 ASP A 43 11.002 -6.814 -5.040 1.00 0.00 O ATOM 0 H ASP A 43 6.978 -4.795 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 43 7.674 -7.478 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.576 -5.505 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.930 -7.201 -3.710 1.00 0.00 H new ATOM 596 N SER A 44 6.808 -8.911 -4.100 1.00 0.00 N ATOM 597 CA SER A 44 6.010 -9.770 -3.234 1.00 0.00 C ATOM 598 C SER A 44 6.260 -9.442 -1.765 1.00 0.00 C ATOM 599 O SER A 44 5.324 -9.357 -0.969 1.00 0.00 O ATOM 600 CB SER A 44 6.334 -11.242 -3.501 1.00 0.00 C ATOM 601 OG SER A 44 7.614 -11.582 -2.998 1.00 0.00 O ATOM 0 H SER A 44 7.594 -9.380 -4.551 1.00 0.00 H new ATOM 0 HA SER A 44 4.958 -9.591 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.578 -11.874 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.297 -11.437 -4.573 1.00 0.00 H new ATOM 0 HG SER A 44 7.796 -12.528 -3.180 1.00 0.00 H new ATOM 607 N SER A 45 7.528 -9.260 -1.413 1.00 0.00 N ATOM 608 CA SER A 45 7.903 -8.945 -0.039 1.00 0.00 C ATOM 609 C SER A 45 6.902 -7.979 0.589 1.00 0.00 C ATOM 610 O SER A 45 6.361 -8.240 1.664 1.00 0.00 O ATOM 611 CB SER A 45 9.307 -8.340 0.004 1.00 0.00 C ATOM 612 OG SER A 45 9.388 -7.181 -0.807 1.00 0.00 O ATOM 0 H SER A 45 8.314 -9.325 -2.060 1.00 0.00 H new ATOM 0 HA SER A 45 7.897 -9.872 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.566 -8.087 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.035 -9.077 -0.336 1.00 0.00 H new ATOM 0 HG SER A 45 10.295 -6.812 -0.761 1.00 0.00 H new ATOM 618 N VAL A 46 6.661 -6.862 -0.090 1.00 0.00 N ATOM 619 CA VAL A 46 5.725 -5.857 0.399 1.00 0.00 C ATOM 620 C VAL A 46 4.428 -6.500 0.876 1.00 0.00 C ATOM 621 O VAL A 46 3.948 -6.214 1.974 1.00 0.00 O ATOM 622 CB VAL A 46 5.399 -4.816 -0.689 1.00 0.00 C ATOM 623 CG1 VAL A 46 4.303 -3.874 -0.216 1.00 0.00 C ATOM 624 CG2 VAL A 46 6.650 -4.041 -1.075 1.00 0.00 C ATOM 0 H VAL A 46 7.101 -6.630 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 46 6.209 -5.356 1.237 1.00 0.00 H new ATOM 0 HB VAL A 46 5.036 -5.341 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.087 -3.146 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.402 -4.446 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.633 -3.354 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.402 -3.310 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.044 -3.526 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.402 -4.731 -1.459 1.00 0.00 H new ATOM 634 N ILE A 47 3.865 -7.371 0.045 1.00 0.00 N ATOM 635 CA ILE A 47 2.623 -8.056 0.383 1.00 0.00 C ATOM 636 C ILE A 47 2.815 -8.981 1.580 1.00 0.00 C ATOM 637 O ILE A 47 2.146 -8.836 2.604 1.00 0.00 O ATOM 638 CB ILE A 47 2.091 -8.876 -0.807 1.00 0.00 C ATOM 639 CG1 ILE A 47 1.853 -7.968 -2.015 1.00 0.00 C ATOM 640 CG2 ILE A 47 0.810 -9.600 -0.420 1.00 0.00 C ATOM 641 CD1 ILE A 47 1.595 -8.725 -3.298 1.00 0.00 C ATOM 0 H ILE A 47 4.249 -7.619 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 47 1.895 -7.285 0.636 1.00 0.00 H new ATOM 0 HB ILE A 47 2.838 -9.621 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.003 -7.318 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.721 -7.323 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.446 -10.175 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.010 -10.273 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.055 -8.871 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.435 -8.018 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.455 -9.355 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.709 -9.349 -3.180 1.00 0.00 H new ATOM 653 N ASP A 48 3.732 -9.933 1.444 1.00 0.00 N ATOM 654 CA ASP A 48 4.014 -10.881 2.515 1.00 0.00 C ATOM 655 C ASP A 48 3.913 -10.206 3.880 1.00 0.00 C ATOM 656 O ASP A 48 3.276 -10.727 4.795 1.00 0.00 O ATOM 657 CB ASP A 48 5.406 -11.488 2.335 1.00 0.00 C ATOM 658 CG ASP A 48 5.532 -12.853 2.982 1.00 0.00 C ATOM 659 OD1 ASP A 48 5.162 -12.983 4.168 1.00 0.00 O ATOM 660 OD2 ASP A 48 6.000 -13.791 2.304 1.00 0.00 O ATOM 0 H ASP A 48 4.292 -10.068 0.603 1.00 0.00 H new ATOM 0 HA ASP A 48 3.270 -11.676 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.627 -11.572 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.150 -10.816 2.763 1.00 0.00 H new ATOM 665 N SER A 49 4.546 -9.045 4.008 1.00 0.00 N ATOM 666 CA SER A 49 4.531 -8.301 5.262 1.00 0.00 C ATOM 667 C SER A 49 3.351 -7.335 5.307 1.00 0.00 C ATOM 668 O SER A 49 2.856 -6.894 4.269 1.00 0.00 O ATOM 669 CB SER A 49 5.842 -7.531 5.438 1.00 0.00 C ATOM 670 OG SER A 49 6.829 -8.339 6.056 1.00 0.00 O ATOM 0 H SER A 49 5.076 -8.599 3.259 1.00 0.00 H new ATOM 0 HA SER A 49 4.424 -9.015 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.201 -7.192 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.666 -6.641 6.042 1.00 0.00 H new ATOM 0 HG SER A 49 7.657 -7.825 6.156 1.00 0.00 H new ATOM 676 N ASP A 50 2.906 -7.010 6.515 1.00 0.00 N ATOM 677 CA ASP A 50 1.785 -6.095 6.697 1.00 0.00 C ATOM 678 C ASP A 50 2.274 -4.656 6.829 1.00 0.00 C ATOM 679 O ASP A 50 1.799 -3.906 7.681 1.00 0.00 O ATOM 680 CB ASP A 50 0.975 -6.487 7.934 1.00 0.00 C ATOM 681 CG ASP A 50 1.828 -6.559 9.186 1.00 0.00 C ATOM 682 OD1 ASP A 50 2.634 -7.506 9.300 1.00 0.00 O ATOM 683 OD2 ASP A 50 1.689 -5.670 10.051 1.00 0.00 O ATOM 0 H ASP A 50 3.304 -7.367 7.384 1.00 0.00 H new ATOM 0 HA ASP A 50 1.146 -6.163 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.174 -5.763 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.502 -7.454 7.764 1.00 0.00 H new ATOM 688 N GLU A 51 3.225 -4.280 5.980 1.00 0.00 N ATOM 689 CA GLU A 51 3.779 -2.931 6.004 1.00 0.00 C ATOM 690 C GLU A 51 2.939 -1.983 5.153 1.00 0.00 C ATOM 691 O GLU A 51 2.058 -2.414 4.408 1.00 0.00 O ATOM 692 CB GLU A 51 5.224 -2.940 5.501 1.00 0.00 C ATOM 693 CG GLU A 51 6.239 -3.295 6.575 1.00 0.00 C ATOM 694 CD GLU A 51 7.622 -3.549 6.008 1.00 0.00 C ATOM 695 OE1 GLU A 51 7.740 -4.378 5.081 1.00 0.00 O ATOM 696 OE2 GLU A 51 8.587 -2.919 6.490 1.00 0.00 O ATOM 0 H GLU A 51 3.628 -4.889 5.268 1.00 0.00 H new ATOM 0 HA GLU A 51 3.763 -2.578 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.310 -3.653 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.465 -1.957 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.292 -2.485 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.901 -4.182 7.110 1.00 0.00 H new ATOM 703 N LYS A 52 3.217 -0.689 5.269 1.00 0.00 N ATOM 704 CA LYS A 52 2.489 0.322 4.511 1.00 0.00 C ATOM 705 C LYS A 52 3.170 0.594 3.173 1.00 0.00 C ATOM 706 O LYS A 52 4.305 1.068 3.129 1.00 0.00 O ATOM 707 CB LYS A 52 2.388 1.619 5.317 1.00 0.00 C ATOM 708 CG LYS A 52 1.527 1.495 6.562 1.00 0.00 C ATOM 709 CD LYS A 52 2.326 0.971 7.743 1.00 0.00 C ATOM 710 CE LYS A 52 1.449 0.788 8.972 1.00 0.00 C ATOM 711 NZ LYS A 52 1.015 2.093 9.543 1.00 0.00 N ATOM 0 H LYS A 52 3.942 -0.315 5.881 1.00 0.00 H new ATOM 0 HA LYS A 52 1.486 -0.057 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.390 1.935 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.979 2.403 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.104 2.468 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.691 0.825 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.787 0.019 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.135 1.664 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.572 0.198 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.996 0.225 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.476 1.928 10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.851 2.674 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.414 2.590 8.855 1.00 0.00 H new ATOM 725 N TRP A 53 2.469 0.292 2.086 1.00 0.00 N ATOM 726 CA TRP A 53 3.007 0.506 0.747 1.00 0.00 C ATOM 727 C TRP A 53 2.470 1.800 0.146 1.00 0.00 C ATOM 728 O TRP A 53 1.462 2.339 0.605 1.00 0.00 O ATOM 729 CB TRP A 53 2.658 -0.675 -0.159 1.00 0.00 C ATOM 730 CG TRP A 53 3.063 -0.468 -1.587 1.00 0.00 C ATOM 731 CD1 TRP A 53 4.299 -0.682 -2.128 1.00 0.00 C ATOM 732 CD2 TRP A 53 2.230 -0.004 -2.656 1.00 0.00 C ATOM 733 NE1 TRP A 53 4.284 -0.379 -3.468 1.00 0.00 N ATOM 734 CE2 TRP A 53 3.027 0.038 -3.817 1.00 0.00 C ATOM 735 CE3 TRP A 53 0.889 0.378 -2.745 1.00 0.00 C ATOM 736 CZ2 TRP A 53 2.525 0.448 -5.049 1.00 0.00 C ATOM 737 CZ3 TRP A 53 0.393 0.785 -3.969 1.00 0.00 C ATOM 738 CH2 TRP A 53 1.209 0.817 -5.108 1.00 0.00 C ATOM 0 H TRP A 53 1.528 -0.101 2.105 1.00 0.00 H new ATOM 0 HA TRP A 53 4.091 0.586 0.826 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.144 -1.573 0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.583 -0.852 -0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.161 -1.037 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.081 -0.453 -4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.252 0.356 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.153 0.474 -5.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.642 1.084 -4.049 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.791 1.139 -6.050 1.00 0.00 H new ATOM 749 N LEU A 54 3.148 2.295 -0.884 1.00 0.00 N ATOM 750 CA LEU A 54 2.739 3.527 -1.549 1.00 0.00 C ATOM 751 C LEU A 54 2.889 3.405 -3.062 1.00 0.00 C ATOM 752 O LEU A 54 3.793 2.729 -3.554 1.00 0.00 O ATOM 753 CB LEU A 54 3.566 4.706 -1.036 1.00 0.00 C ATOM 754 CG LEU A 54 3.117 5.314 0.293 1.00 0.00 C ATOM 755 CD1 LEU A 54 4.296 5.945 1.017 1.00 0.00 C ATOM 756 CD2 LEU A 54 2.017 6.340 0.066 1.00 0.00 C ATOM 0 H LEU A 54 3.984 1.862 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 54 1.688 3.702 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.601 4.380 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.553 5.490 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 54 2.718 4.516 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.957 6.372 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.052 5.184 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.726 6.731 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.710 6.762 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.389 7.136 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.162 5.858 -0.409 1.00 0.00 H new ATOM 768 N CYS A 55 2.000 4.066 -3.796 1.00 0.00 N ATOM 769 CA CYS A 55 2.034 4.033 -5.253 1.00 0.00 C ATOM 770 C CYS A 55 3.131 4.947 -5.791 1.00 0.00 C ATOM 771 O CYS A 55 3.555 5.888 -5.120 1.00 0.00 O ATOM 772 CB CYS A 55 0.679 4.454 -5.825 1.00 0.00 C ATOM 773 SG CYS A 55 0.254 6.200 -5.526 1.00 0.00 S ATOM 0 H CYS A 55 1.247 4.631 -3.405 1.00 0.00 H new ATOM 0 HA CYS A 55 2.251 3.011 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.677 4.270 -6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.098 3.823 -5.392 1.00 0.00 H new ATOM 778 N ARG A 56 3.586 4.663 -7.007 1.00 0.00 N ATOM 779 CA ARG A 56 4.634 5.458 -7.636 1.00 0.00 C ATOM 780 C ARG A 56 4.430 6.944 -7.357 1.00 0.00 C ATOM 781 O ARG A 56 5.241 7.574 -6.679 1.00 0.00 O ATOM 782 CB ARG A 56 4.656 5.210 -9.145 1.00 0.00 C ATOM 783 CG ARG A 56 5.661 6.073 -9.890 1.00 0.00 C ATOM 784 CD ARG A 56 7.036 5.423 -9.925 1.00 0.00 C ATOM 785 NE ARG A 56 8.026 6.271 -10.582 1.00 0.00 N ATOM 786 CZ ARG A 56 8.282 6.229 -11.885 1.00 0.00 C ATOM 787 NH1 ARG A 56 7.624 5.383 -12.666 1.00 0.00 N ATOM 788 NH2 ARG A 56 9.198 7.033 -12.409 1.00 0.00 N ATOM 0 H ARG A 56 3.245 3.888 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 56 5.590 5.154 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.885 4.160 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.661 5.395 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.312 6.243 -10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.731 7.049 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.361 5.208 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.972 4.469 -10.448 1.00 0.00 H new ATOM 0 HE ARG A 56 8.550 6.932 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.920 4.763 -12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.822 5.353 -13.666 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.707 7.684 -11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.394 7.000 -13.410 1.00 0.00 H new ATOM 802 N GLN A 57 3.343 7.497 -7.885 1.00 0.00 N ATOM 803 CA GLN A 57 3.034 8.909 -7.694 1.00 0.00 C ATOM 804 C GLN A 57 3.460 9.376 -6.306 1.00 0.00 C ATOM 805 O GLN A 57 3.925 10.503 -6.134 1.00 0.00 O ATOM 806 CB GLN A 57 1.538 9.156 -7.891 1.00 0.00 C ATOM 807 CG GLN A 57 1.088 9.043 -9.339 1.00 0.00 C ATOM 808 CD GLN A 57 0.664 7.636 -9.710 1.00 0.00 C ATOM 809 OE1 GLN A 57 0.829 6.699 -8.928 1.00 0.00 O ATOM 810 NE2 GLN A 57 0.113 7.480 -10.908 1.00 0.00 N ATOM 0 H GLN A 57 2.661 6.989 -8.448 1.00 0.00 H new ATOM 0 HA GLN A 57 3.590 9.481 -8.437 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.978 8.441 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.290 10.150 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.256 9.726 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.901 9.358 -9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.005 8.284 -11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.193 6.556 -11.212 1.00 0.00 H new ATOM 819 N CYS A 58 3.299 8.502 -5.317 1.00 0.00 N ATOM 820 CA CYS A 58 3.665 8.825 -3.944 1.00 0.00 C ATOM 821 C CYS A 58 5.151 8.574 -3.704 1.00 0.00 C ATOM 822 O CYS A 58 5.864 9.438 -3.193 1.00 0.00 O ATOM 823 CB CYS A 58 2.832 7.996 -2.964 1.00 0.00 C ATOM 824 SG CYS A 58 1.072 8.462 -2.904 1.00 0.00 S ATOM 0 H CYS A 58 2.917 7.564 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 58 3.462 9.883 -3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.909 6.944 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.258 8.097 -1.966 1.00 0.00 H new ATOM 829 N VAL A 59 5.613 7.384 -4.078 1.00 0.00 N ATOM 830 CA VAL A 59 7.014 7.019 -3.905 1.00 0.00 C ATOM 831 C VAL A 59 7.936 8.105 -4.448 1.00 0.00 C ATOM 832 O VAL A 59 8.931 8.462 -3.818 1.00 0.00 O ATOM 833 CB VAL A 59 7.337 5.688 -4.609 1.00 0.00 C ATOM 834 CG1 VAL A 59 8.810 5.342 -4.446 1.00 0.00 C ATOM 835 CG2 VAL A 59 6.456 4.572 -4.067 1.00 0.00 C ATOM 0 H VAL A 59 5.037 6.657 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 59 7.182 6.906 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 59 7.130 5.800 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.020 4.398 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.420 6.131 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.047 5.248 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.697 3.638 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.630 4.458 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.408 4.819 -4.240 1.00 0.00 H new ATOM 845 N PHE A 60 7.597 8.628 -5.622 1.00 0.00 N ATOM 846 CA PHE A 60 8.395 9.674 -6.252 1.00 0.00 C ATOM 847 C PHE A 60 8.340 10.964 -5.438 1.00 0.00 C ATOM 848 O PHE A 60 9.350 11.644 -5.263 1.00 0.00 O ATOM 849 CB PHE A 60 7.901 9.935 -7.676 1.00 0.00 C ATOM 850 CG PHE A 60 8.881 10.697 -8.521 1.00 0.00 C ATOM 851 CD1 PHE A 60 9.883 10.035 -9.212 1.00 0.00 C ATOM 852 CD2 PHE A 60 8.801 12.077 -8.623 1.00 0.00 C ATOM 853 CE1 PHE A 60 10.786 10.733 -9.990 1.00 0.00 C ATOM 854 CE2 PHE A 60 9.702 12.781 -9.400 1.00 0.00 C ATOM 855 CZ PHE A 60 10.696 12.108 -10.084 1.00 0.00 C ATOM 0 H PHE A 60 6.775 8.345 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 60 9.430 9.333 -6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.684 8.981 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.964 10.490 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.959 8.960 -9.141 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.026 12.608 -8.090 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.562 10.204 -10.524 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.629 13.856 -9.472 1.00 0.00 H new ATOM 0 HZ PHE A 60 11.401 12.656 -10.691 1.00 0.00 H new ATOM 865 N ALA A 61 7.151 11.294 -4.944 1.00 0.00 N ATOM 866 CA ALA A 61 6.963 12.501 -4.148 1.00 0.00 C ATOM 867 C ALA A 61 7.415 12.284 -2.708 1.00 0.00 C ATOM 868 O ALA A 61 6.700 12.622 -1.764 1.00 0.00 O ATOM 869 CB ALA A 61 5.505 12.936 -4.186 1.00 0.00 C ATOM 0 H ALA A 61 6.304 10.743 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 61 7.578 13.291 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.379 13.838 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.213 13.140 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.878 12.142 -3.782 1.00 0.00 H new ATOM 875 N THR A 62 8.607 11.718 -2.545 1.00 0.00 N ATOM 876 CA THR A 62 9.153 11.455 -1.220 1.00 0.00 C ATOM 877 C THR A 62 10.367 12.334 -0.942 1.00 0.00 C ATOM 878 O THR A 62 11.078 12.739 -1.862 1.00 0.00 O ATOM 879 CB THR A 62 9.557 9.977 -1.063 1.00 0.00 C ATOM 880 OG1 THR A 62 9.913 9.708 0.298 1.00 0.00 O ATOM 881 CG2 THR A 62 10.726 9.635 -1.975 1.00 0.00 C ATOM 0 H THR A 62 9.212 11.433 -3.315 1.00 0.00 H new ATOM 0 HA THR A 62 8.367 11.688 -0.502 1.00 0.00 H new ATOM 0 HB THR A 62 8.704 9.359 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.167 8.766 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.993 8.586 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.442 9.813 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.581 10.261 -1.721 1.00 0.00 H new ATOM 889 N THR A 63 10.600 12.626 0.334 1.00 0.00 N ATOM 890 CA THR A 63 11.728 13.458 0.734 1.00 0.00 C ATOM 891 C THR A 63 12.984 13.094 -0.050 1.00 0.00 C ATOM 892 O THR A 63 13.490 11.976 0.050 1.00 0.00 O ATOM 893 CB THR A 63 12.020 13.323 2.240 1.00 0.00 C ATOM 894 OG1 THR A 63 12.153 11.941 2.592 1.00 0.00 O ATOM 895 CG2 THR A 63 10.910 13.956 3.065 1.00 0.00 C ATOM 0 H THR A 63 10.022 12.298 1.108 1.00 0.00 H new ATOM 0 HA THR A 63 11.453 14.490 0.516 1.00 0.00 H new ATOM 0 HB THR A 63 12.953 13.844 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.650 11.471 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.138 13.848 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.830 15.014 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.965 13.460 2.845 1.00 0.00 H new ATOM 903 N THR A 64 13.486 14.047 -0.830 1.00 0.00 N ATOM 904 CA THR A 64 14.683 13.827 -1.631 1.00 0.00 C ATOM 905 C THR A 64 15.695 14.949 -1.428 1.00 0.00 C ATOM 906 O THR A 64 15.324 16.093 -1.165 1.00 0.00 O ATOM 907 CB THR A 64 14.344 13.722 -3.131 1.00 0.00 C ATOM 908 OG1 THR A 64 13.540 14.838 -3.530 1.00 0.00 O ATOM 909 CG2 THR A 64 13.607 12.426 -3.429 1.00 0.00 C ATOM 0 H THR A 64 13.081 14.979 -0.923 1.00 0.00 H new ATOM 0 HA THR A 64 15.118 12.885 -1.297 1.00 0.00 H new ATOM 0 HB THR A 64 15.277 13.728 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.330 14.765 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.378 12.374 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.234 11.579 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.680 12.395 -2.857 1.00 0.00 H new ATOM 917 N LYS A 65 16.975 14.614 -1.551 1.00 0.00 N ATOM 918 CA LYS A 65 18.042 15.594 -1.383 1.00 0.00 C ATOM 919 C LYS A 65 19.363 15.057 -1.923 1.00 0.00 C ATOM 920 O LYS A 65 19.705 13.894 -1.710 1.00 0.00 O ATOM 921 CB LYS A 65 18.195 15.963 0.095 1.00 0.00 C ATOM 922 CG LYS A 65 18.706 14.822 0.957 1.00 0.00 C ATOM 923 CD LYS A 65 18.895 15.255 2.401 1.00 0.00 C ATOM 924 CE LYS A 65 17.566 15.344 3.135 1.00 0.00 C ATOM 925 NZ LYS A 65 17.737 15.819 4.536 1.00 0.00 N ATOM 0 H LYS A 65 17.299 13.671 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 65 17.774 16.487 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.879 16.807 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.230 16.294 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.003 13.990 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.653 14.459 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.547 14.547 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.393 16.224 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.901 16.022 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.087 14.365 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.809 15.866 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.352 15.159 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.170 16.764 4.532 1.00 0.00 H new ATOM 939 N ARG A 66 20.103 15.913 -2.622 1.00 0.00 N ATOM 940 CA ARG A 66 21.387 15.524 -3.192 1.00 0.00 C ATOM 941 C ARG A 66 22.517 15.749 -2.191 1.00 0.00 C ATOM 942 O ARG A 66 23.104 14.797 -1.678 1.00 0.00 O ATOM 943 CB ARG A 66 21.661 16.314 -4.473 1.00 0.00 C ATOM 944 CG ARG A 66 22.764 15.719 -5.332 1.00 0.00 C ATOM 945 CD ARG A 66 22.244 14.583 -6.198 1.00 0.00 C ATOM 946 NE ARG A 66 21.236 15.039 -7.152 1.00 0.00 N ATOM 947 CZ ARG A 66 20.899 14.364 -8.245 1.00 0.00 C ATOM 948 NH1 ARG A 66 21.486 13.208 -8.521 1.00 0.00 N ATOM 949 NH2 ARG A 66 19.973 14.845 -9.064 1.00 0.00 N ATOM 0 H ARG A 66 19.835 16.880 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 66 21.343 14.461 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.744 16.367 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.930 17.337 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.191 16.495 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.567 15.352 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 66 23.075 14.129 -6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.816 13.808 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 66 20.765 15.925 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 66 22.198 12.835 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.225 12.691 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.519 15.734 -8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.715 14.326 -9.903 1.00 0.00 H new TER 963 ARG A 66 HETATM 964 ZN ZN A 201 -4.833 -4.360 -12.287 1.00 0.00 ZN HETATM 965 ZN ZN A 401 -0.422 6.762 -3.417 1.00 0.00 ZN