USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 8 ASN :FLIP amide:sc= -1.09 F(o=-5.4!,f=-4.7) USER MOD Set 1.2: A 19 GLN : amide:sc= -0.685 K(o=-4.7,f=-17!) USER MOD Set 1.3: A 25 TYR OH : rot -39:sc= -2.91! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.249) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.178) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -31:sc= 0.826 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.65 F(o=-8.2!,f=-1.7) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 159:sc= 0.34 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -2.99! (180deg=-3.41!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 19:sc= 0.533 USER MOD Single : A 59 SER OG : rot -104:sc= -1.79! USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.0887 (180deg=0.0244) USER MOD Single : A 68 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.054) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -16.265 8.359 13.146 1.00 0.00 N ATOM 2 CA GLU A 3 -16.548 9.734 12.642 1.00 0.00 C ATOM 3 C GLU A 3 -15.376 10.221 11.781 1.00 0.00 C ATOM 4 O GLU A 3 -15.448 11.261 11.159 1.00 0.00 O ATOM 5 CB GLU A 3 -16.735 10.683 13.827 1.00 0.00 C ATOM 6 CG GLU A 3 -18.031 10.344 14.577 1.00 0.00 C ATOM 7 CD GLU A 3 -17.807 9.125 15.476 1.00 0.00 C ATOM 8 OE1 GLU A 3 -16.762 9.061 16.102 1.00 0.00 O ATOM 9 OE2 GLU A 3 -18.684 8.279 15.522 1.00 0.00 O ATOM 0 HA GLU A 3 -17.456 9.716 12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.884 10.605 14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.769 11.714 13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.348 11.197 15.177 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.831 10.140 13.865 1.00 0.00 H new ATOM 16 N LYS A 4 -14.298 9.484 11.739 1.00 0.00 N ATOM 17 CA LYS A 4 -13.129 9.918 10.915 1.00 0.00 C ATOM 18 C LYS A 4 -13.326 9.460 9.468 1.00 0.00 C ATOM 19 O LYS A 4 -14.385 8.993 9.097 1.00 0.00 O ATOM 20 CB LYS A 4 -11.843 9.307 11.487 1.00 0.00 C ATOM 21 CG LYS A 4 -11.673 9.755 12.947 1.00 0.00 C ATOM 22 CD LYS A 4 -10.213 9.579 13.389 1.00 0.00 C ATOM 23 CE LYS A 4 -9.800 8.101 13.288 1.00 0.00 C ATOM 24 NZ LYS A 4 -8.796 7.787 14.348 1.00 0.00 N ATOM 0 H LYS A 4 -14.175 8.603 12.238 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.049 11.005 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.888 8.219 11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.983 9.622 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.969 10.799 13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.329 9.171 13.593 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.561 10.190 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.091 9.929 14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.675 7.460 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.380 7.897 12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.518 6.787 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.958 8.389 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.212 7.966 15.284 1.00 0.00 H new ATOM 38 N ARG A 5 -12.320 9.591 8.644 1.00 0.00 N ATOM 39 CA ARG A 5 -12.470 9.162 7.225 1.00 0.00 C ATOM 40 C ARG A 5 -12.323 7.648 7.159 1.00 0.00 C ATOM 41 O ARG A 5 -11.511 7.058 7.842 1.00 0.00 O ATOM 42 CB ARG A 5 -11.393 9.827 6.356 1.00 0.00 C ATOM 43 CG ARG A 5 -11.795 11.278 6.035 1.00 0.00 C ATOM 44 CD ARG A 5 -11.765 12.153 7.311 1.00 0.00 C ATOM 45 NE ARG A 5 -13.167 12.418 7.785 1.00 0.00 N ATOM 46 CZ ARG A 5 -14.042 13.010 7.019 1.00 0.00 C ATOM 47 NH1 ARG A 5 -13.679 13.469 5.853 1.00 0.00 N ATOM 48 NH2 ARG A 5 -15.269 13.174 7.433 1.00 0.00 N ATOM 0 H ARG A 5 -11.407 9.974 8.891 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.450 9.460 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.435 9.813 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.262 9.265 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.116 11.691 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.794 11.295 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.197 11.650 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.258 13.095 7.104 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.440 12.129 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.713 13.365 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.361 13.932 5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.545 12.839 8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.952 13.637 6.833 1.00 0.00 H new ATOM 62 N ARG A 6 -13.128 7.015 6.358 1.00 0.00 N ATOM 63 CA ARG A 6 -13.077 5.532 6.257 1.00 0.00 C ATOM 64 C ARG A 6 -13.353 5.100 4.819 1.00 0.00 C ATOM 65 O ARG A 6 -13.738 5.896 3.985 1.00 0.00 O ATOM 66 CB ARG A 6 -14.152 4.959 7.169 1.00 0.00 C ATOM 67 CG ARG A 6 -15.519 5.511 6.745 1.00 0.00 C ATOM 68 CD ARG A 6 -16.614 5.077 7.743 1.00 0.00 C ATOM 69 NE ARG A 6 -17.126 6.273 8.467 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.265 6.203 9.096 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.937 5.084 9.095 1.00 0.00 N ATOM 72 NH2 ARG A 6 -18.732 7.246 9.721 1.00 0.00 N ATOM 0 H ARG A 6 -13.825 7.464 5.764 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.091 5.171 6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.152 3.871 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.945 5.224 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.478 6.599 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.768 5.153 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.428 4.582 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.210 4.355 8.452 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.589 7.140 8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.570 4.269 8.603 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.829 5.024 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.206 8.120 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.624 7.189 10.213 1.00 0.00 H new ATOM 86 N ASP A 7 -13.178 3.842 4.526 1.00 0.00 N ATOM 87 CA ASP A 7 -13.453 3.368 3.145 1.00 0.00 C ATOM 88 C ASP A 7 -14.963 3.281 2.948 1.00 0.00 C ATOM 89 O ASP A 7 -15.735 3.591 3.833 1.00 0.00 O ATOM 90 CB ASP A 7 -12.825 1.990 2.916 1.00 0.00 C ATOM 91 CG ASP A 7 -13.506 0.942 3.804 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.413 1.304 4.534 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.103 -0.208 3.738 1.00 0.00 O ATOM 0 H ASP A 7 -12.859 3.127 5.179 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.020 4.068 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.923 1.708 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.758 2.027 3.138 1.00 0.00 H new ATOM 98 N ASN A 8 -15.389 2.874 1.791 1.00 0.00 N ATOM 99 CA ASN A 8 -16.849 2.776 1.525 1.00 0.00 C ATOM 100 C ASN A 8 -17.485 1.656 2.368 1.00 0.00 C ATOM 101 O ASN A 8 -18.692 1.517 2.392 1.00 0.00 O ATOM 102 CB ASN A 8 -17.068 2.492 0.033 1.00 0.00 C ATOM 103 CG ASN A 8 -16.812 3.768 -0.782 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.758 3.842 -1.553 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -17.581 4.707 -0.716 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.788 2.603 1.013 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.323 3.719 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.399 1.698 -0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.086 2.141 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -18.404 4.651 -0.115 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -17.404 5.551 -1.261 1.00 0.00 H new ATOM 112 N ARG A 9 -16.698 0.843 3.047 1.00 0.00 N ATOM 113 CA ARG A 9 -17.288 -0.274 3.858 1.00 0.00 C ATOM 114 C ARG A 9 -17.317 0.084 5.348 1.00 0.00 C ATOM 115 O ARG A 9 -18.107 -0.455 6.098 1.00 0.00 O ATOM 116 CB ARG A 9 -16.441 -1.532 3.665 1.00 0.00 C ATOM 117 CG ARG A 9 -16.552 -2.016 2.211 1.00 0.00 C ATOM 118 CD ARG A 9 -17.989 -2.507 1.909 1.00 0.00 C ATOM 119 NE ARG A 9 -17.946 -3.843 1.238 1.00 0.00 N ATOM 120 CZ ARG A 9 -17.163 -4.069 0.219 1.00 0.00 C ATOM 121 NH1 ARG A 9 -16.422 -3.116 -0.274 1.00 0.00 N ATOM 122 NH2 ARG A 9 -17.138 -5.257 -0.318 1.00 0.00 N ATOM 0 H ARG A 9 -15.680 0.906 3.073 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.311 -0.445 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.400 -1.322 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.776 -2.315 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.288 -1.206 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.841 -2.824 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.560 -2.575 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.501 -1.787 1.270 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.542 -4.594 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.451 -2.183 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.813 -3.304 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.727 -6.000 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.529 -5.444 -1.115 1.00 0.00 H new ATOM 136 N GLY A 10 -16.478 0.993 5.784 1.00 0.00 N ATOM 137 CA GLY A 10 -16.471 1.394 7.233 1.00 0.00 C ATOM 138 C GLY A 10 -15.086 1.188 7.846 1.00 0.00 C ATOM 139 O GLY A 10 -14.908 1.314 9.041 1.00 0.00 O ATOM 0 H GLY A 10 -15.796 1.477 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.763 2.440 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.207 0.806 7.781 1.00 0.00 H new ATOM 143 N ARG A 11 -14.102 0.870 7.053 1.00 0.00 N ATOM 144 CA ARG A 11 -12.740 0.656 7.619 1.00 0.00 C ATOM 145 C ARG A 11 -12.020 1.993 7.737 1.00 0.00 C ATOM 146 O ARG A 11 -11.911 2.743 6.786 1.00 0.00 O ATOM 147 CB ARG A 11 -11.957 -0.284 6.704 1.00 0.00 C ATOM 148 CG ARG A 11 -12.822 -1.522 6.435 1.00 0.00 C ATOM 149 CD ARG A 11 -12.013 -2.626 5.723 1.00 0.00 C ATOM 150 NE ARG A 11 -12.446 -2.713 4.301 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.724 -3.382 3.450 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.611 -3.930 3.846 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.108 -3.503 2.211 1.00 0.00 N ATOM 0 H ARG A 11 -14.180 0.749 6.043 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.819 0.209 8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.708 0.216 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.015 -0.572 7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.215 -1.906 7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.679 -1.243 5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.947 -2.405 5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.166 -3.583 6.221 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.303 -2.251 3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.312 -3.833 4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.039 -4.456 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.979 -3.072 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.537 -4.029 1.549 1.00 0.00 H new ATOM 167 N ILE A 12 -11.533 2.298 8.909 1.00 0.00 N ATOM 168 CA ILE A 12 -10.826 3.589 9.110 1.00 0.00 C ATOM 169 C ILE A 12 -9.474 3.533 8.402 1.00 0.00 C ATOM 170 O ILE A 12 -8.548 2.894 8.857 1.00 0.00 O ATOM 171 CB ILE A 12 -10.602 3.820 10.607 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.905 3.578 11.385 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.133 5.258 10.841 1.00 0.00 C ATOM 174 CD1 ILE A 12 -13.065 4.334 10.731 1.00 0.00 C ATOM 0 H ILE A 12 -11.596 1.705 9.737 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.425 4.403 8.702 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.842 3.122 10.959 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.127 2.511 11.412 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.786 3.905 12.418 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.974 5.420 11.907 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.199 5.428 10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.891 5.952 10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.981 4.152 11.294 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.847 5.402 10.727 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.194 3.986 9.706 1.00 0.00 H new ATOM 186 N LEU A 13 -9.355 4.202 7.291 1.00 0.00 N ATOM 187 CA LEU A 13 -8.062 4.199 6.540 1.00 0.00 C ATOM 188 C LEU A 13 -7.172 5.320 7.069 1.00 0.00 C ATOM 189 O LEU A 13 -7.648 6.339 7.529 1.00 0.00 O ATOM 190 CB LEU A 13 -8.320 4.403 5.037 1.00 0.00 C ATOM 191 CG LEU A 13 -9.279 5.600 4.782 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.485 6.881 4.489 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.180 5.291 3.577 1.00 0.00 C ATOM 0 H LEU A 13 -10.099 4.755 6.866 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.566 3.239 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.374 4.578 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.749 3.495 4.614 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.883 5.751 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.176 7.705 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.848 7.117 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.867 6.731 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.851 6.131 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.563 5.127 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.766 4.395 3.781 1.00 0.00 H new ATOM 205 N LYS A 14 -5.881 5.131 7.031 1.00 0.00 N ATOM 206 CA LYS A 14 -4.950 6.173 7.553 1.00 0.00 C ATOM 207 C LYS A 14 -4.537 7.144 6.441 1.00 0.00 C ATOM 208 O LYS A 14 -5.017 7.089 5.326 1.00 0.00 O ATOM 209 CB LYS A 14 -3.702 5.496 8.114 1.00 0.00 C ATOM 210 CG LYS A 14 -4.117 4.298 8.983 1.00 0.00 C ATOM 211 CD LYS A 14 -2.955 3.891 9.904 1.00 0.00 C ATOM 212 CE LYS A 14 -2.809 4.881 11.071 1.00 0.00 C ATOM 213 NZ LYS A 14 -2.117 4.203 12.202 1.00 0.00 N ATOM 0 H LYS A 14 -5.429 4.296 6.659 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.461 6.735 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.059 5.163 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.125 6.206 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.992 4.556 9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.401 3.458 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.128 2.887 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.027 3.856 9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.242 5.756 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.790 5.235 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.015 4.868 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.676 3.381 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.176 3.886 11.893 1.00 0.00 H new ATOM 227 N THR A 15 -3.645 8.040 6.764 1.00 0.00 N ATOM 228 CA THR A 15 -3.156 9.054 5.780 1.00 0.00 C ATOM 229 C THR A 15 -2.608 8.387 4.511 1.00 0.00 C ATOM 230 O THR A 15 -2.005 7.335 4.554 1.00 0.00 O ATOM 231 CB THR A 15 -2.033 9.865 6.431 1.00 0.00 C ATOM 232 OG1 THR A 15 -0.830 9.111 6.401 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.399 10.176 7.882 1.00 0.00 C ATOM 0 H THR A 15 -3.224 8.115 7.690 1.00 0.00 H new ATOM 0 HA THR A 15 -3.993 9.693 5.499 1.00 0.00 H new ATOM 0 HB THR A 15 -1.896 10.798 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.109 9.629 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.598 10.753 8.344 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.324 10.753 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.537 9.244 8.430 1.00 0.00 H new ATOM 241 N GLY A 16 -2.782 9.027 3.385 1.00 0.00 N ATOM 242 CA GLY A 16 -2.243 8.479 2.102 1.00 0.00 C ATOM 243 C GLY A 16 -3.182 7.425 1.507 1.00 0.00 C ATOM 244 O GLY A 16 -3.574 7.513 0.360 1.00 0.00 O ATOM 0 H GLY A 16 -3.279 9.914 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.105 9.290 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.262 8.038 2.277 1.00 0.00 H new ATOM 248 N GLU A 17 -3.533 6.420 2.259 1.00 0.00 N ATOM 249 CA GLU A 17 -4.429 5.361 1.711 1.00 0.00 C ATOM 250 C GLU A 17 -5.770 5.983 1.297 1.00 0.00 C ATOM 251 O GLU A 17 -6.253 6.910 1.917 1.00 0.00 O ATOM 252 CB GLU A 17 -4.675 4.305 2.790 1.00 0.00 C ATOM 253 CG GLU A 17 -3.342 3.667 3.206 1.00 0.00 C ATOM 254 CD GLU A 17 -2.603 4.584 4.188 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.260 5.371 4.847 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.389 4.475 4.268 1.00 0.00 O ATOM 0 H GLU A 17 -3.240 6.285 3.227 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.959 4.901 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.156 4.761 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.354 3.539 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.523 2.697 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.724 3.490 2.326 1.00 0.00 H new ATOM 263 N SER A 18 -6.381 5.478 0.254 1.00 0.00 N ATOM 264 CA SER A 18 -7.690 6.044 -0.188 1.00 0.00 C ATOM 265 C SER A 18 -8.416 5.029 -1.080 1.00 0.00 C ATOM 266 O SER A 18 -7.798 4.254 -1.784 1.00 0.00 O ATOM 267 CB SER A 18 -7.446 7.336 -0.970 1.00 0.00 C ATOM 268 OG SER A 18 -8.689 7.968 -1.249 1.00 0.00 O ATOM 0 H SER A 18 -6.031 4.702 -0.307 1.00 0.00 H new ATOM 0 HA SER A 18 -8.307 6.259 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.807 8.006 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.922 7.116 -1.900 1.00 0.00 H new ATOM 0 HG SER A 18 -8.530 8.796 -1.748 1.00 0.00 H new ATOM 274 N GLN A 19 -9.728 5.030 -1.063 1.00 0.00 N ATOM 275 CA GLN A 19 -10.502 4.069 -1.915 1.00 0.00 C ATOM 276 C GLN A 19 -10.966 4.799 -3.172 1.00 0.00 C ATOM 277 O GLN A 19 -11.517 5.882 -3.105 1.00 0.00 O ATOM 278 CB GLN A 19 -11.725 3.565 -1.143 1.00 0.00 C ATOM 279 CG GLN A 19 -12.354 2.376 -1.878 1.00 0.00 C ATOM 280 CD GLN A 19 -13.418 1.739 -0.984 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.153 2.431 -0.311 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.529 0.439 -0.941 1.00 0.00 N ATOM 0 H GLN A 19 -10.298 5.656 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.872 3.220 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.433 3.268 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.456 4.367 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.800 2.707 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.588 1.643 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.912 -0.144 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.233 0.007 -0.342 1.00 0.00 H new ATOM 291 N ARG A 20 -10.746 4.221 -4.319 1.00 0.00 N ATOM 292 CA ARG A 20 -11.170 4.887 -5.583 1.00 0.00 C ATOM 293 C ARG A 20 -12.640 4.570 -5.862 1.00 0.00 C ATOM 294 O ARG A 20 -13.335 4.008 -5.038 1.00 0.00 O ATOM 295 CB ARG A 20 -10.307 4.387 -6.743 1.00 0.00 C ATOM 296 CG ARG A 20 -8.844 4.754 -6.482 1.00 0.00 C ATOM 297 CD ARG A 20 -8.028 4.582 -7.764 1.00 0.00 C ATOM 298 NE ARG A 20 -8.378 5.656 -8.740 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.592 5.887 -9.757 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.500 5.190 -9.907 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.892 6.818 -10.622 1.00 0.00 N ATOM 0 H ARG A 20 -10.291 3.316 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.046 5.965 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.409 3.307 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.644 4.832 -7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.775 5.784 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.436 4.122 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.963 4.620 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.225 3.603 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.227 6.207 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.261 4.465 -9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.885 5.370 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.743 7.368 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.275 6.995 -11.415 1.00 0.00 H new ATOM 315 N LYS A 21 -13.120 4.931 -7.019 1.00 0.00 N ATOM 316 CA LYS A 21 -14.543 4.662 -7.367 1.00 0.00 C ATOM 317 C LYS A 21 -14.708 3.177 -7.695 1.00 0.00 C ATOM 318 O LYS A 21 -15.789 2.626 -7.614 1.00 0.00 O ATOM 319 CB LYS A 21 -14.932 5.501 -8.585 1.00 0.00 C ATOM 320 CG LYS A 21 -14.804 7.000 -8.260 1.00 0.00 C ATOM 321 CD LYS A 21 -13.319 7.402 -8.106 1.00 0.00 C ATOM 322 CE LYS A 21 -13.129 8.879 -8.473 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.037 9.721 -7.644 1.00 0.00 N ATOM 0 H LYS A 21 -12.583 5.405 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.185 4.923 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.291 5.248 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.955 5.272 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.265 7.589 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.344 7.225 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.993 7.230 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.697 6.777 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.093 9.174 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.341 9.031 -9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.728 10.713 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.009 9.645 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.009 9.394 -6.657 1.00 0.00 H new ATOM 337 N ASP A 22 -13.639 2.530 -8.075 1.00 0.00 N ATOM 338 CA ASP A 22 -13.719 1.079 -8.421 1.00 0.00 C ATOM 339 C ASP A 22 -13.560 0.240 -7.149 1.00 0.00 C ATOM 340 O ASP A 22 -13.864 -0.936 -7.131 1.00 0.00 O ATOM 341 CB ASP A 22 -12.586 0.730 -9.386 1.00 0.00 C ATOM 342 CG ASP A 22 -12.866 1.312 -10.772 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.960 1.809 -10.978 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.976 1.250 -11.605 1.00 0.00 O ATOM 0 H ASP A 22 -12.711 2.944 -8.161 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.684 0.869 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.642 1.120 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.479 -0.353 -9.454 1.00 0.00 H new ATOM 349 N GLY A 23 -13.095 0.840 -6.085 1.00 0.00 N ATOM 350 CA GLY A 23 -12.922 0.093 -4.802 1.00 0.00 C ATOM 351 C GLY A 23 -11.446 -0.267 -4.588 1.00 0.00 C ATOM 352 O GLY A 23 -11.034 -0.547 -3.480 1.00 0.00 O ATOM 0 H GLY A 23 -12.825 1.823 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.279 0.699 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.526 -0.814 -4.818 1.00 0.00 H new ATOM 356 N ARG A 24 -10.635 -0.259 -5.616 1.00 0.00 N ATOM 357 CA ARG A 24 -9.195 -0.597 -5.396 1.00 0.00 C ATOM 358 C ARG A 24 -8.588 0.441 -4.459 1.00 0.00 C ATOM 359 O ARG A 24 -8.891 1.615 -4.535 1.00 0.00 O ATOM 360 CB ARG A 24 -8.410 -0.608 -6.720 1.00 0.00 C ATOM 361 CG ARG A 24 -8.871 0.542 -7.600 1.00 0.00 C ATOM 362 CD ARG A 24 -7.944 0.683 -8.813 1.00 0.00 C ATOM 363 NE ARG A 24 -8.619 1.508 -9.853 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.930 2.032 -10.831 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.639 1.845 -10.897 1.00 0.00 N ATOM 366 NH2 ARG A 24 -8.533 2.744 -11.742 1.00 0.00 N ATOM 0 H ARG A 24 -10.898 -0.039 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.134 -1.594 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.342 -0.520 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.562 -1.556 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.894 0.368 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.876 1.469 -7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.005 1.149 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.699 -0.300 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.626 1.665 -9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.167 1.289 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.103 2.255 -11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.541 2.891 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.997 3.154 -12.507 1.00 0.00 H new ATOM 380 N TYR A 25 -7.729 0.018 -3.579 1.00 0.00 N ATOM 381 CA TYR A 25 -7.089 0.970 -2.637 1.00 0.00 C ATOM 382 C TYR A 25 -5.832 1.542 -3.289 1.00 0.00 C ATOM 383 O TYR A 25 -5.362 1.045 -4.297 1.00 0.00 O ATOM 384 CB TYR A 25 -6.736 0.232 -1.352 1.00 0.00 C ATOM 385 CG TYR A 25 -8.019 -0.225 -0.701 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.877 0.724 -0.133 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.363 -1.584 -0.675 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.074 0.320 0.463 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.565 -1.990 -0.081 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.420 -1.035 0.490 1.00 0.00 C ATOM 391 OH TYR A 25 -11.605 -1.432 1.075 1.00 0.00 O ATOM 0 H TYR A 25 -7.441 -0.955 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.768 1.789 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.095 -0.622 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.180 0.885 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.613 1.771 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.702 -2.317 -1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.733 1.054 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.833 -3.036 -0.063 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.763 -0.904 1.885 1.00 0.00 H new ATOM 401 N LEU A 26 -5.299 2.598 -2.741 1.00 0.00 N ATOM 402 CA LEU A 26 -4.089 3.229 -3.344 1.00 0.00 C ATOM 403 C LEU A 26 -3.307 3.992 -2.254 1.00 0.00 C ATOM 404 O LEU A 26 -3.862 4.759 -1.493 1.00 0.00 O ATOM 405 CB LEU A 26 -4.585 4.155 -4.489 1.00 0.00 C ATOM 406 CG LEU A 26 -3.750 5.451 -4.652 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.109 6.498 -3.563 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.231 5.143 -4.647 1.00 0.00 C ATOM 0 H LEU A 26 -5.650 3.054 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.400 2.492 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.564 3.600 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.624 4.425 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.002 5.882 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.505 7.394 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.165 6.756 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.909 6.080 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.671 6.071 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.959 4.670 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.993 4.471 -5.471 1.00 0.00 H new ATOM 420 N TYR A 27 -2.011 3.765 -2.179 1.00 0.00 N ATOM 421 CA TYR A 27 -1.149 4.450 -1.155 1.00 0.00 C ATOM 422 C TYR A 27 0.083 5.027 -1.867 1.00 0.00 C ATOM 423 O TYR A 27 0.332 4.727 -3.018 1.00 0.00 O ATOM 424 CB TYR A 27 -0.697 3.430 -0.101 1.00 0.00 C ATOM 425 CG TYR A 27 0.195 4.100 0.924 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.335 5.057 1.799 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.556 3.758 1.004 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.491 5.673 2.748 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.378 4.376 1.955 1.00 0.00 C ATOM 430 CZ TYR A 27 1.845 5.334 2.825 1.00 0.00 C ATOM 431 OH TYR A 27 2.658 5.946 3.756 1.00 0.00 O ATOM 0 H TYR A 27 -1.508 3.125 -2.793 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.709 5.246 -0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.567 2.995 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.161 2.612 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.381 5.320 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.968 3.019 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.081 6.411 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.424 4.113 2.017 1.00 0.00 H new ATOM 0 HH TYR A 27 3.569 5.595 3.676 1.00 0.00 H new ATOM 441 N LYS A 28 0.853 5.859 -1.205 1.00 0.00 N ATOM 442 CA LYS A 28 2.065 6.465 -1.859 1.00 0.00 C ATOM 443 C LYS A 28 3.250 6.441 -0.884 1.00 0.00 C ATOM 444 O LYS A 28 3.105 6.704 0.293 1.00 0.00 O ATOM 445 CB LYS A 28 1.748 7.918 -2.232 1.00 0.00 C ATOM 446 CG LYS A 28 2.907 8.537 -3.043 1.00 0.00 C ATOM 447 CD LYS A 28 2.885 10.062 -2.889 1.00 0.00 C ATOM 448 CE LYS A 28 3.844 10.690 -3.897 1.00 0.00 C ATOM 449 NZ LYS A 28 4.013 12.140 -3.596 1.00 0.00 N ATOM 0 H LYS A 28 0.697 6.147 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 28 2.324 5.894 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.828 7.957 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.577 8.502 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.861 8.140 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.814 8.266 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.875 10.440 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.173 10.340 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.810 10.186 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.459 10.561 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.435 12.618 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.085 12.562 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.637 12.253 -2.772 1.00 0.00 H new ATOM 463 N TYR A 29 4.430 6.144 -1.377 1.00 0.00 N ATOM 464 CA TYR A 29 5.638 6.124 -0.489 1.00 0.00 C ATOM 465 C TYR A 29 6.851 6.651 -1.263 1.00 0.00 C ATOM 466 O TYR A 29 6.785 6.895 -2.451 1.00 0.00 O ATOM 467 CB TYR A 29 5.923 4.695 -0.004 1.00 0.00 C ATOM 468 CG TYR A 29 6.500 3.848 -1.124 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.700 3.486 -2.215 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.833 3.416 -1.063 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.234 2.696 -3.243 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.364 2.626 -2.088 1.00 0.00 C ATOM 473 CZ TYR A 29 7.564 2.265 -3.178 1.00 0.00 C ATOM 474 OH TYR A 29 8.088 1.486 -4.190 1.00 0.00 O ATOM 0 H TYR A 29 4.609 5.915 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 29 5.448 6.759 0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.621 4.723 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.003 4.241 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.673 3.815 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.451 3.694 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.618 2.420 -4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.391 2.295 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 29 9.024 1.275 -3.989 1.00 0.00 H new ATOM 484 N ILE A 30 7.960 6.825 -0.592 1.00 0.00 N ATOM 485 CA ILE A 30 9.192 7.336 -1.270 1.00 0.00 C ATOM 486 C ILE A 30 10.168 6.175 -1.509 1.00 0.00 C ATOM 487 O ILE A 30 10.530 5.467 -0.590 1.00 0.00 O ATOM 488 CB ILE A 30 9.867 8.366 -0.359 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.842 9.411 0.104 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.997 9.052 -1.122 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.084 9.980 -1.100 1.00 0.00 C ATOM 0 H ILE A 30 8.067 6.634 0.404 1.00 0.00 H new ATOM 0 HA ILE A 30 8.922 7.790 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 30 10.273 7.860 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.140 8.957 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.348 10.216 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.479 9.786 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.729 8.308 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.591 9.553 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.360 10.720 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.789 10.452 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.562 9.174 -1.616 1.00 0.00 H new ATOM 503 N ASP A 31 10.611 5.979 -2.728 1.00 0.00 N ATOM 504 CA ASP A 31 11.574 4.868 -2.996 1.00 0.00 C ATOM 505 C ASP A 31 12.993 5.329 -2.613 1.00 0.00 C ATOM 506 O ASP A 31 13.199 6.457 -2.212 1.00 0.00 O ATOM 507 CB ASP A 31 11.529 4.483 -4.479 1.00 0.00 C ATOM 508 CG ASP A 31 10.142 3.936 -4.830 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.194 4.289 -4.146 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.051 3.175 -5.781 1.00 0.00 O ATOM 0 H ASP A 31 10.349 6.536 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 31 11.301 3.996 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.755 5.352 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.291 3.733 -4.693 1.00 0.00 H new ATOM 515 N SER A 32 13.967 4.459 -2.712 1.00 0.00 N ATOM 516 CA SER A 32 15.370 4.831 -2.335 1.00 0.00 C ATOM 517 C SER A 32 15.918 5.929 -3.253 1.00 0.00 C ATOM 518 O SER A 32 17.053 6.344 -3.114 1.00 0.00 O ATOM 519 CB SER A 32 16.268 3.601 -2.440 1.00 0.00 C ATOM 520 OG SER A 32 16.493 3.304 -3.812 1.00 0.00 O ATOM 0 H SER A 32 13.852 3.500 -3.040 1.00 0.00 H new ATOM 0 HA SER A 32 15.359 5.207 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.216 3.784 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.801 2.751 -1.943 1.00 0.00 H new ATOM 0 HG SER A 32 15.712 3.576 -4.338 1.00 0.00 H new ATOM 526 N PHE A 33 15.138 6.395 -4.196 1.00 0.00 N ATOM 527 CA PHE A 33 15.630 7.460 -5.131 1.00 0.00 C ATOM 528 C PHE A 33 15.027 8.806 -4.732 1.00 0.00 C ATOM 529 O PHE A 33 15.488 9.850 -5.147 1.00 0.00 O ATOM 530 CB PHE A 33 15.184 7.123 -6.553 1.00 0.00 C ATOM 531 CG PHE A 33 15.559 5.699 -6.868 1.00 0.00 C ATOM 532 CD1 PHE A 33 14.816 4.656 -6.310 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.641 5.416 -7.715 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.145 3.329 -6.589 1.00 0.00 C ATOM 535 CE2 PHE A 33 16.973 4.085 -7.997 1.00 0.00 C ATOM 536 CZ PHE A 33 16.225 3.041 -7.435 1.00 0.00 C ATOM 0 H PHE A 33 14.180 6.085 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 33 16.718 7.513 -5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.107 7.257 -6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.655 7.801 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.983 4.878 -5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.216 6.221 -8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.569 2.526 -6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.806 3.863 -8.648 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.481 2.015 -7.654 1.00 0.00 H new ATOM 546 N GLY A 34 13.999 8.796 -3.927 1.00 0.00 N ATOM 547 CA GLY A 34 13.370 10.081 -3.504 1.00 0.00 C ATOM 548 C GLY A 34 12.239 10.440 -4.470 1.00 0.00 C ATOM 549 O GLY A 34 11.579 11.447 -4.318 1.00 0.00 O ATOM 0 H GLY A 34 13.568 7.955 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.981 9.991 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.116 10.876 -3.490 1.00 0.00 H new ATOM 553 N GLU A 35 12.011 9.628 -5.469 1.00 0.00 N ATOM 554 CA GLU A 35 10.924 9.934 -6.444 1.00 0.00 C ATOM 555 C GLU A 35 9.584 9.456 -5.875 1.00 0.00 C ATOM 556 O GLU A 35 9.534 8.470 -5.165 1.00 0.00 O ATOM 557 CB GLU A 35 11.198 9.198 -7.759 1.00 0.00 C ATOM 558 CG GLU A 35 11.161 7.686 -7.517 1.00 0.00 C ATOM 559 CD GLU A 35 11.690 6.956 -8.756 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.360 7.593 -9.553 1.00 0.00 O ATOM 561 OE2 GLU A 35 11.415 5.773 -8.887 1.00 0.00 O ATOM 0 H GLU A 35 12.529 8.769 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 35 10.888 11.009 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.454 9.476 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.171 9.490 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.766 7.432 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.141 7.366 -7.301 1.00 0.00 H new ATOM 568 N PRO A 36 8.496 10.120 -6.189 1.00 0.00 N ATOM 569 CA PRO A 36 7.160 9.701 -5.691 1.00 0.00 C ATOM 570 C PRO A 36 6.667 8.451 -6.426 1.00 0.00 C ATOM 571 O PRO A 36 6.582 8.431 -7.638 1.00 0.00 O ATOM 572 CB PRO A 36 6.264 10.909 -5.993 1.00 0.00 C ATOM 573 CG PRO A 36 6.900 11.575 -7.169 1.00 0.00 C ATOM 574 CD PRO A 36 8.408 11.329 -7.036 1.00 0.00 C ATOM 0 HA PRO A 36 7.167 9.436 -4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.244 10.598 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.209 11.584 -5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.519 11.162 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.679 12.642 -7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.875 11.171 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.912 12.178 -6.575 1.00 0.00 H new ATOM 582 N GLN A 37 6.341 7.413 -5.699 1.00 0.00 N ATOM 583 CA GLN A 37 5.847 6.148 -6.334 1.00 0.00 C ATOM 584 C GLN A 37 4.463 5.829 -5.747 1.00 0.00 C ATOM 585 O GLN A 37 4.080 6.375 -4.732 1.00 0.00 O ATOM 586 CB GLN A 37 6.856 5.010 -6.023 1.00 0.00 C ATOM 587 CG GLN A 37 7.183 4.201 -7.287 1.00 0.00 C ATOM 588 CD GLN A 37 7.862 5.107 -8.316 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.099 6.353 -8.010 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.178 4.679 -9.408 1.00 0.00 N flip ATOM 0 H GLN A 37 6.396 7.385 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 37 5.762 6.252 -7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.772 5.434 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.441 4.349 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.836 3.365 -7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.270 3.778 -7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.993 3.705 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.629 5.294 -10.086 1.00 0.00 H new ATOM 599 N PHE A 38 3.705 4.965 -6.382 1.00 0.00 N ATOM 600 CA PHE A 38 2.337 4.628 -5.859 1.00 0.00 C ATOM 601 C PHE A 38 2.104 3.117 -5.929 1.00 0.00 C ATOM 602 O PHE A 38 2.676 2.426 -6.748 1.00 0.00 O ATOM 603 CB PHE A 38 1.279 5.318 -6.715 1.00 0.00 C ATOM 604 CG PHE A 38 1.456 6.816 -6.669 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.365 7.434 -7.533 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.695 7.587 -5.780 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.517 8.825 -7.510 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.849 8.979 -5.755 1.00 0.00 C ATOM 609 CZ PHE A 38 1.758 9.598 -6.623 1.00 0.00 C ATOM 0 H PHE A 38 3.972 4.479 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 38 2.267 4.965 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.352 4.969 -7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.284 5.052 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.950 6.838 -8.218 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.009 7.109 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.220 9.302 -8.177 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.267 9.575 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.873 10.672 -6.608 1.00 0.00 H new ATOM 619 N VAL A 39 1.253 2.606 -5.071 1.00 0.00 N ATOM 620 CA VAL A 39 0.945 1.140 -5.056 1.00 0.00 C ATOM 621 C VAL A 39 -0.575 0.954 -5.203 1.00 0.00 C ATOM 622 O VAL A 39 -1.353 1.756 -4.724 1.00 0.00 O ATOM 623 CB VAL A 39 1.414 0.560 -3.711 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.891 0.160 -3.794 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.239 1.627 -2.629 1.00 0.00 C ATOM 0 H VAL A 39 0.751 3.151 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 39 1.453 0.629 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 39 0.823 -0.324 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.212 -0.249 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.021 -0.593 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.493 1.037 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.568 1.229 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.836 2.503 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.188 1.910 -2.564 1.00 0.00 H new ATOM 635 N TYR A 40 -1.003 -0.096 -5.866 1.00 0.00 N ATOM 636 CA TYR A 40 -2.470 -0.346 -6.055 1.00 0.00 C ATOM 637 C TYR A 40 -2.797 -1.793 -5.688 1.00 0.00 C ATOM 638 O TYR A 40 -1.992 -2.686 -5.858 1.00 0.00 O ATOM 639 CB TYR A 40 -2.842 -0.125 -7.523 1.00 0.00 C ATOM 640 CG TYR A 40 -2.783 1.343 -7.852 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.565 1.936 -8.202 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.950 2.111 -7.815 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.517 3.299 -8.516 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.903 3.471 -8.126 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.685 4.068 -8.478 1.00 0.00 C ATOM 646 OH TYR A 40 -2.638 5.414 -8.787 1.00 0.00 O ATOM 0 H TYR A 40 -0.393 -0.797 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.030 0.338 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.159 -0.679 -8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.844 -0.510 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.663 1.343 -8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.890 1.652 -7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.578 3.757 -8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.806 4.063 -8.095 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.536 5.798 -8.713 1.00 0.00 H new ATOM 656 N SER A 41 -3.980 -2.035 -5.201 1.00 0.00 N ATOM 657 CA SER A 41 -4.358 -3.426 -4.839 1.00 0.00 C ATOM 658 C SER A 41 -5.843 -3.474 -4.497 1.00 0.00 C ATOM 659 O SER A 41 -6.430 -2.490 -4.095 1.00 0.00 O ATOM 660 CB SER A 41 -3.543 -3.884 -3.630 1.00 0.00 C ATOM 661 OG SER A 41 -3.850 -5.243 -3.344 1.00 0.00 O ATOM 0 H SER A 41 -4.700 -1.331 -5.038 1.00 0.00 H new ATOM 0 HA SER A 41 -4.154 -4.086 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.478 -3.775 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.769 -3.259 -2.766 1.00 0.00 H new ATOM 0 HG SER A 41 -3.125 -5.638 -2.816 1.00 0.00 H new ATOM 667 N TRP A 42 -6.455 -4.613 -4.651 1.00 0.00 N ATOM 668 CA TRP A 42 -7.902 -4.736 -4.329 1.00 0.00 C ATOM 669 C TRP A 42 -8.052 -5.205 -2.880 1.00 0.00 C ATOM 670 O TRP A 42 -9.111 -5.633 -2.466 1.00 0.00 O ATOM 671 CB TRP A 42 -8.539 -5.760 -5.273 1.00 0.00 C ATOM 672 CG TRP A 42 -8.739 -5.159 -6.625 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.815 -5.135 -7.609 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.929 -4.512 -7.162 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.360 -4.507 -8.712 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.659 -4.108 -8.489 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.202 -4.237 -6.631 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.616 -3.456 -9.264 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.170 -3.581 -7.410 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.877 -3.193 -8.725 1.00 0.00 C ATOM 0 H TRP A 42 -6.013 -5.468 -4.988 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.397 -3.773 -4.452 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.902 -6.641 -5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.495 -6.092 -4.869 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.816 -5.540 -7.544 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.860 -4.357 -9.588 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.437 -4.532 -5.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.384 -3.156 -10.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.145 -3.375 -6.994 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.626 -2.691 -9.320 1.00 0.00 H new ATOM 691 N LYS A 43 -6.993 -5.128 -2.106 1.00 0.00 N ATOM 692 CA LYS A 43 -7.056 -5.570 -0.676 1.00 0.00 C ATOM 693 C LYS A 43 -6.462 -4.489 0.221 1.00 0.00 C ATOM 694 O LYS A 43 -5.450 -3.895 -0.087 1.00 0.00 O ATOM 695 CB LYS A 43 -6.250 -6.863 -0.513 1.00 0.00 C ATOM 696 CG LYS A 43 -6.888 -7.980 -1.365 1.00 0.00 C ATOM 697 CD LYS A 43 -6.594 -9.369 -0.768 1.00 0.00 C ATOM 698 CE LYS A 43 -5.121 -9.745 -0.977 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.938 -10.297 -2.348 1.00 0.00 N ATOM 0 H LYS A 43 -6.084 -4.776 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.094 -5.744 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.217 -6.701 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.227 -7.160 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.966 -7.827 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.503 -7.930 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.828 -9.370 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.236 -10.115 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.488 -8.868 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.814 -10.480 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.944 -10.189 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.193 -11.305 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.549 -9.782 -3.014 1.00 0.00 H new ATOM 713 N LEU A 44 -7.089 -4.242 1.336 1.00 0.00 N ATOM 714 CA LEU A 44 -6.585 -3.212 2.282 1.00 0.00 C ATOM 715 C LEU A 44 -5.693 -3.895 3.310 1.00 0.00 C ATOM 716 O LEU A 44 -4.623 -3.423 3.640 1.00 0.00 O ATOM 717 CB LEU A 44 -7.784 -2.582 2.993 1.00 0.00 C ATOM 718 CG LEU A 44 -7.327 -1.503 3.984 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.650 -0.343 3.233 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.553 -0.984 4.756 1.00 0.00 C ATOM 0 H LEU A 44 -7.941 -4.717 1.635 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.020 -2.445 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.459 -2.144 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.345 -3.353 3.521 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.606 -1.931 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.330 0.416 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.783 -0.718 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.357 0.096 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.239 -0.216 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.272 -0.560 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.018 -1.808 5.297 1.00 0.00 H new ATOM 732 N VAL A 45 -6.147 -5.011 3.821 1.00 0.00 N ATOM 733 CA VAL A 45 -5.365 -5.769 4.845 1.00 0.00 C ATOM 734 C VAL A 45 -5.058 -7.166 4.297 1.00 0.00 C ATOM 735 O VAL A 45 -5.616 -7.594 3.306 1.00 0.00 O ATOM 736 CB VAL A 45 -6.189 -5.904 6.145 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.251 -5.973 7.355 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.128 -4.700 6.301 1.00 0.00 C ATOM 0 H VAL A 45 -7.039 -5.435 3.568 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.439 -5.236 5.063 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.779 -6.819 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.840 -6.068 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.593 -6.836 7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.652 -5.064 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.704 -4.805 7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.540 -3.783 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.807 -4.656 5.450 1.00 0.00 H new ATOM 748 N ALA A 46 -4.180 -7.873 4.942 1.00 0.00 N ATOM 749 CA ALA A 46 -3.816 -9.240 4.468 1.00 0.00 C ATOM 750 C ALA A 46 -4.995 -10.210 4.652 1.00 0.00 C ATOM 751 O ALA A 46 -5.025 -11.272 4.060 1.00 0.00 O ATOM 752 CB ALA A 46 -2.600 -9.739 5.256 1.00 0.00 C ATOM 0 H ALA A 46 -3.693 -7.564 5.783 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.574 -9.195 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.330 -10.738 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.761 -9.062 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.844 -9.773 6.318 1.00 0.00 H new ATOM 758 N THR A 47 -5.961 -9.867 5.468 1.00 0.00 N ATOM 759 CA THR A 47 -7.121 -10.792 5.682 1.00 0.00 C ATOM 760 C THR A 47 -8.208 -10.559 4.626 1.00 0.00 C ATOM 761 O THR A 47 -9.130 -11.339 4.498 1.00 0.00 O ATOM 762 CB THR A 47 -7.731 -10.514 7.059 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.289 -9.208 7.064 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.654 -10.609 8.138 1.00 0.00 C ATOM 0 H THR A 47 -5.999 -8.993 5.993 1.00 0.00 H new ATOM 0 HA THR A 47 -6.761 -11.818 5.609 1.00 0.00 H new ATOM 0 HB THR A 47 -8.506 -11.252 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.683 -9.024 7.942 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.098 -10.410 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.222 -11.610 8.134 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.873 -9.876 7.938 1.00 0.00 H new ATOM 772 N ASP A 48 -8.122 -9.496 3.876 1.00 0.00 N ATOM 773 CA ASP A 48 -9.173 -9.228 2.844 1.00 0.00 C ATOM 774 C ASP A 48 -9.059 -10.231 1.690 1.00 0.00 C ATOM 775 O ASP A 48 -8.095 -10.962 1.579 1.00 0.00 O ATOM 776 CB ASP A 48 -9.002 -7.816 2.287 1.00 0.00 C ATOM 777 CG ASP A 48 -9.241 -6.781 3.386 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.143 -6.985 4.181 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.520 -5.796 3.408 1.00 0.00 O ATOM 0 H ASP A 48 -7.376 -8.803 3.929 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.151 -9.328 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.998 -7.698 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.701 -7.654 1.467 1.00 0.00 H new ATOM 784 N ARG A 49 -10.044 -10.255 0.823 1.00 0.00 N ATOM 785 CA ARG A 49 -10.020 -11.189 -0.347 1.00 0.00 C ATOM 786 C ARG A 49 -10.552 -10.454 -1.588 1.00 0.00 C ATOM 787 O ARG A 49 -11.527 -9.732 -1.523 1.00 0.00 O ATOM 788 CB ARG A 49 -10.901 -12.408 -0.044 1.00 0.00 C ATOM 789 CG ARG A 49 -10.908 -13.376 -1.238 1.00 0.00 C ATOM 790 CD ARG A 49 -9.492 -13.928 -1.493 1.00 0.00 C ATOM 791 NE ARG A 49 -9.586 -15.280 -2.149 1.00 0.00 N ATOM 792 CZ ARG A 49 -10.176 -16.283 -1.557 1.00 0.00 C ATOM 793 NH1 ARG A 49 -10.575 -16.166 -0.321 1.00 0.00 N ATOM 794 NH2 ARG A 49 -10.338 -17.415 -2.186 1.00 0.00 N ATOM 0 H ARG A 49 -10.871 -9.661 0.877 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.000 -11.524 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.531 -12.920 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.918 -12.084 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.596 -14.199 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.270 -12.862 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.933 -13.242 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.947 -14.006 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.180 -15.415 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.426 -15.291 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.036 -16.949 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.003 -17.519 -3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.799 -18.196 -1.720 1.00 0.00 H new ATOM 808 N VAL A 50 -9.913 -10.634 -2.715 1.00 0.00 N ATOM 809 CA VAL A 50 -10.366 -9.952 -3.963 1.00 0.00 C ATOM 810 C VAL A 50 -11.553 -10.720 -4.571 1.00 0.00 C ATOM 811 O VAL A 50 -11.651 -11.920 -4.416 1.00 0.00 O ATOM 812 CB VAL A 50 -9.213 -9.950 -4.969 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.979 -9.304 -4.349 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.878 -11.388 -5.376 1.00 0.00 C ATOM 0 H VAL A 50 -9.091 -11.228 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.671 -8.932 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.515 -9.381 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.164 -9.307 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.209 -8.277 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.680 -9.865 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.057 -11.381 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.585 -11.957 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.753 -11.850 -5.832 1.00 0.00 H new ATOM 824 N PRO A 51 -12.441 -10.050 -5.274 1.00 0.00 N ATOM 825 CA PRO A 51 -13.607 -10.725 -5.916 1.00 0.00 C ATOM 826 C PRO A 51 -13.157 -11.599 -7.098 1.00 0.00 C ATOM 827 O PRO A 51 -12.162 -11.324 -7.740 1.00 0.00 O ATOM 828 CB PRO A 51 -14.498 -9.560 -6.378 1.00 0.00 C ATOM 829 CG PRO A 51 -13.556 -8.417 -6.576 1.00 0.00 C ATOM 830 CD PRO A 51 -12.441 -8.598 -5.541 1.00 0.00 C ATOM 0 HA PRO A 51 -14.129 -11.403 -5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.023 -9.805 -7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.257 -9.323 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.151 -8.417 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.066 -7.464 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.479 -8.262 -5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.639 -8.025 -4.635 1.00 0.00 H new ATOM 838 N ALA A 52 -13.868 -12.655 -7.372 1.00 0.00 N ATOM 839 CA ALA A 52 -13.471 -13.559 -8.494 1.00 0.00 C ATOM 840 C ALA A 52 -13.115 -12.748 -9.744 1.00 0.00 C ATOM 841 O ALA A 52 -13.680 -11.706 -10.010 1.00 0.00 O ATOM 842 CB ALA A 52 -14.625 -14.508 -8.815 1.00 0.00 C ATOM 0 H ALA A 52 -14.710 -12.935 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.594 -14.130 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.337 -15.168 -9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.861 -15.105 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.501 -13.929 -9.107 1.00 0.00 H new ATOM 848 N GLY A 53 -12.178 -13.236 -10.519 1.00 0.00 N ATOM 849 CA GLY A 53 -11.764 -12.524 -11.768 1.00 0.00 C ATOM 850 C GLY A 53 -10.444 -11.789 -11.527 1.00 0.00 C ATOM 851 O GLY A 53 -9.634 -11.644 -12.420 1.00 0.00 O ATOM 0 H GLY A 53 -11.677 -14.106 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.651 -13.237 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.537 -11.816 -12.068 1.00 0.00 H new ATOM 855 N LYS A 54 -10.219 -11.320 -10.327 1.00 0.00 N ATOM 856 CA LYS A 54 -8.954 -10.593 -10.022 1.00 0.00 C ATOM 857 C LYS A 54 -7.963 -11.555 -9.361 1.00 0.00 C ATOM 858 O LYS A 54 -8.301 -12.272 -8.437 1.00 0.00 O ATOM 859 CB LYS A 54 -9.256 -9.447 -9.054 1.00 0.00 C ATOM 860 CG LYS A 54 -10.557 -8.732 -9.448 1.00 0.00 C ATOM 861 CD LYS A 54 -10.497 -8.218 -10.895 1.00 0.00 C ATOM 862 CE LYS A 54 -9.296 -7.284 -11.089 1.00 0.00 C ATOM 863 NZ LYS A 54 -9.484 -6.482 -12.334 1.00 0.00 N ATOM 0 H LYS A 54 -10.863 -11.411 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.526 -10.199 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.341 -9.835 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.430 -8.736 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.398 -9.416 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.735 -7.897 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.424 -9.060 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.419 -7.689 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.194 -6.622 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.376 -7.866 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.670 -5.849 -12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.561 -7.121 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.353 -5.916 -12.255 1.00 0.00 H new ATOM 877 N ARG A 55 -6.740 -11.566 -9.810 1.00 0.00 N ATOM 878 CA ARG A 55 -5.735 -12.469 -9.190 1.00 0.00 C ATOM 879 C ARG A 55 -5.315 -11.899 -7.839 1.00 0.00 C ATOM 880 O ARG A 55 -5.287 -10.701 -7.639 1.00 0.00 O ATOM 881 CB ARG A 55 -4.506 -12.573 -10.093 1.00 0.00 C ATOM 882 CG ARG A 55 -3.483 -13.506 -9.444 1.00 0.00 C ATOM 883 CD ARG A 55 -2.367 -13.816 -10.442 1.00 0.00 C ATOM 884 NE ARG A 55 -2.885 -14.766 -11.463 1.00 0.00 N ATOM 885 CZ ARG A 55 -2.230 -14.966 -12.570 1.00 0.00 C ATOM 886 NH1 ARG A 55 -1.136 -14.296 -12.820 1.00 0.00 N ATOM 887 NH2 ARG A 55 -2.677 -15.833 -13.434 1.00 0.00 N ATOM 0 H ARG A 55 -6.394 -10.990 -10.578 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.172 -13.459 -9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.792 -12.953 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.069 -11.586 -10.248 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.067 -13.041 -8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.968 -14.429 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.023 -12.899 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.509 -14.247 -9.926 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.759 -15.264 -11.294 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.791 -13.612 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.627 -14.457 -13.689 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.535 -16.350 -13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.169 -15.995 -14.304 1.00 0.00 H new ATOM 901 N ASP A 56 -4.995 -12.747 -6.908 1.00 0.00 N ATOM 902 CA ASP A 56 -4.586 -12.254 -5.568 1.00 0.00 C ATOM 903 C ASP A 56 -3.474 -11.207 -5.708 1.00 0.00 C ATOM 904 O ASP A 56 -2.696 -11.220 -6.643 1.00 0.00 O ATOM 905 CB ASP A 56 -4.096 -13.435 -4.722 1.00 0.00 C ATOM 906 CG ASP A 56 -2.863 -14.068 -5.374 1.00 0.00 C ATOM 907 OD1 ASP A 56 -2.426 -13.557 -6.388 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.382 -15.056 -4.846 1.00 0.00 O ATOM 0 H ASP A 56 -4.999 -13.761 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.440 -11.788 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.852 -13.096 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.888 -14.177 -4.625 1.00 0.00 H new ATOM 913 N CYS A 57 -3.398 -10.304 -4.765 1.00 0.00 N ATOM 914 CA CYS A 57 -2.350 -9.246 -4.783 1.00 0.00 C ATOM 915 C CYS A 57 -1.988 -8.945 -3.330 1.00 0.00 C ATOM 916 O CYS A 57 -2.697 -9.325 -2.418 1.00 0.00 O ATOM 917 CB CYS A 57 -2.876 -7.974 -5.461 1.00 0.00 C ATOM 918 SG CYS A 57 -2.862 -8.193 -7.258 1.00 0.00 S ATOM 0 H CYS A 57 -4.033 -10.257 -3.968 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.479 -9.586 -5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.888 -7.759 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.258 -7.120 -5.184 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.811 -9.461 -7.540 1.00 0.00 H new ATOM 924 N ILE A 58 -0.888 -8.293 -3.095 1.00 0.00 N ATOM 925 CA ILE A 58 -0.483 -8.009 -1.688 1.00 0.00 C ATOM 926 C ILE A 58 -1.224 -6.784 -1.145 1.00 0.00 C ATOM 927 O ILE A 58 -1.322 -5.757 -1.785 1.00 0.00 O ATOM 928 CB ILE A 58 1.021 -7.772 -1.651 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.730 -9.029 -2.154 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.460 -7.480 -0.218 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.204 -8.717 -2.412 1.00 0.00 C ATOM 0 H ILE A 58 -0.251 -7.944 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.741 -8.861 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 58 1.276 -6.922 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.640 -9.828 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.257 -9.384 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.537 -7.311 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.945 -6.591 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.212 -8.329 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.708 -9.614 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.284 -7.931 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.673 -8.383 -1.486 1.00 0.00 H new ATOM 943 N SER A 59 -1.738 -6.902 0.048 1.00 0.00 N ATOM 944 CA SER A 59 -2.479 -5.775 0.678 1.00 0.00 C ATOM 945 C SER A 59 -1.578 -4.542 0.774 1.00 0.00 C ATOM 946 O SER A 59 -0.381 -4.616 0.581 1.00 0.00 O ATOM 947 CB SER A 59 -2.917 -6.203 2.074 1.00 0.00 C ATOM 948 OG SER A 59 -3.764 -7.334 1.957 1.00 0.00 O ATOM 0 H SER A 59 -1.675 -7.744 0.620 1.00 0.00 H new ATOM 0 HA SER A 59 -3.350 -5.522 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.048 -6.444 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.442 -5.388 2.572 1.00 0.00 H new ATOM 0 HG SER A 59 -4.695 -7.062 2.101 1.00 0.00 H new ATOM 954 N LEU A 60 -2.156 -3.407 1.059 1.00 0.00 N ATOM 955 CA LEU A 60 -1.360 -2.151 1.159 1.00 0.00 C ATOM 956 C LEU A 60 -0.359 -2.258 2.318 1.00 0.00 C ATOM 957 O LEU A 60 0.838 -2.258 2.122 1.00 0.00 O ATOM 958 CB LEU A 60 -2.335 -0.982 1.423 1.00 0.00 C ATOM 959 CG LEU A 60 -2.841 -0.361 0.105 1.00 0.00 C ATOM 960 CD1 LEU A 60 -1.686 0.308 -0.663 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.506 -1.442 -0.765 1.00 0.00 C ATOM 0 H LEU A 60 -3.156 -3.296 1.228 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.808 -1.983 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.183 -1.339 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.836 -0.218 2.019 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.579 0.405 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.066 0.739 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.249 1.095 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.924 -0.436 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.860 -0.995 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.781 -2.223 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.349 -1.875 -0.226 1.00 0.00 H new ATOM 973 N ARG A 61 -0.843 -2.336 3.522 1.00 0.00 N ATOM 974 CA ARG A 61 0.071 -2.410 4.697 1.00 0.00 C ATOM 975 C ARG A 61 1.162 -3.447 4.460 1.00 0.00 C ATOM 976 O ARG A 61 2.286 -3.277 4.885 1.00 0.00 O ATOM 977 CB ARG A 61 -0.747 -2.774 5.938 1.00 0.00 C ATOM 978 CG ARG A 61 -2.049 -1.938 5.949 1.00 0.00 C ATOM 979 CD ARG A 61 -2.434 -1.547 7.377 1.00 0.00 C ATOM 980 NE ARG A 61 -3.650 -0.685 7.314 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.297 -0.364 8.404 1.00 0.00 C ATOM 982 NH1 ARG A 61 -3.889 -0.810 9.562 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.351 0.401 8.337 1.00 0.00 N ATOM 0 H ARG A 61 -1.838 -2.352 3.747 1.00 0.00 H new ATOM 0 HA ARG A 61 0.552 -1.443 4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.983 -3.838 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.168 -2.580 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.915 -1.040 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.857 -2.510 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.630 -2.437 7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.615 -1.013 7.859 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.980 -0.343 6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.065 -1.409 9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.394 -0.559 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.672 0.750 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.855 0.651 9.188 1.00 0.00 H new ATOM 997 N GLU A 62 0.865 -4.514 3.779 1.00 0.00 N ATOM 998 CA GLU A 62 1.925 -5.520 3.531 1.00 0.00 C ATOM 999 C GLU A 62 2.930 -4.943 2.527 1.00 0.00 C ATOM 1000 O GLU A 62 4.123 -5.122 2.664 1.00 0.00 O ATOM 1001 CB GLU A 62 1.309 -6.817 2.981 1.00 0.00 C ATOM 1002 CG GLU A 62 0.712 -7.656 4.115 1.00 0.00 C ATOM 1003 CD GLU A 62 1.811 -8.090 5.088 1.00 0.00 C ATOM 1004 OE1 GLU A 62 2.807 -8.624 4.630 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.635 -7.883 6.277 1.00 0.00 O ATOM 0 H GLU A 62 -0.052 -4.730 3.389 1.00 0.00 H new ATOM 0 HA GLU A 62 2.434 -5.754 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.534 -6.577 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.071 -7.394 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.045 -7.078 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.213 -8.534 3.704 1.00 0.00 H new ATOM 1012 N LYS A 63 2.468 -4.247 1.522 1.00 0.00 N ATOM 1013 CA LYS A 63 3.424 -3.673 0.530 1.00 0.00 C ATOM 1014 C LYS A 63 4.297 -2.597 1.194 1.00 0.00 C ATOM 1015 O LYS A 63 5.488 -2.530 0.969 1.00 0.00 O ATOM 1016 CB LYS A 63 2.653 -3.028 -0.634 1.00 0.00 C ATOM 1017 CG LYS A 63 2.132 -4.099 -1.608 1.00 0.00 C ATOM 1018 CD LYS A 63 1.766 -3.433 -2.939 1.00 0.00 C ATOM 1019 CE LYS A 63 1.406 -4.495 -3.974 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.919 -3.820 -5.207 1.00 0.00 N ATOM 0 H LYS A 63 1.482 -4.053 1.346 1.00 0.00 H new ATOM 0 HA LYS A 63 4.054 -4.480 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.817 -2.448 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.303 -2.333 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.892 -4.864 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.260 -4.599 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.926 -2.754 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.603 -2.834 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.276 -5.111 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.638 -5.160 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.039 -4.456 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.088 -3.583 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.464 -2.949 -5.364 1.00 0.00 H new ATOM 1034 N ILE A 64 3.710 -1.738 1.980 1.00 0.00 N ATOM 1035 CA ILE A 64 4.499 -0.643 2.626 1.00 0.00 C ATOM 1036 C ILE A 64 5.606 -1.224 3.512 1.00 0.00 C ATOM 1037 O ILE A 64 6.731 -0.767 3.487 1.00 0.00 O ATOM 1038 CB ILE A 64 3.539 0.236 3.465 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.718 1.161 2.534 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.316 1.089 4.479 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.522 0.404 1.956 1.00 0.00 C ATOM 0 H ILE A 64 2.715 -1.744 2.206 1.00 0.00 H new ATOM 0 HA ILE A 64 4.974 -0.035 1.856 1.00 0.00 H new ATOM 0 HB ILE A 64 2.866 -0.425 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.372 2.033 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.350 1.528 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.617 1.696 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.871 0.437 5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.012 1.740 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.953 1.066 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.876 -0.453 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.883 0.059 2.769 1.00 0.00 H new ATOM 1053 N ALA A 65 5.308 -2.208 4.301 1.00 0.00 N ATOM 1054 CA ALA A 65 6.357 -2.780 5.191 1.00 0.00 C ATOM 1055 C ALA A 65 7.563 -3.277 4.373 1.00 0.00 C ATOM 1056 O ALA A 65 8.702 -3.011 4.711 1.00 0.00 O ATOM 1057 CB ALA A 65 5.753 -3.942 5.987 1.00 0.00 C ATOM 0 H ALA A 65 4.388 -2.644 4.372 1.00 0.00 H new ATOM 0 HA ALA A 65 6.708 -2.003 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.513 -4.368 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.919 -3.577 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.396 -4.708 5.299 1.00 0.00 H new ATOM 1063 N GLU A 66 7.332 -4.020 3.324 1.00 0.00 N ATOM 1064 CA GLU A 66 8.474 -4.559 2.520 1.00 0.00 C ATOM 1065 C GLU A 66 9.092 -3.496 1.586 1.00 0.00 C ATOM 1066 O GLU A 66 10.287 -3.494 1.365 1.00 0.00 O ATOM 1067 CB GLU A 66 7.975 -5.739 1.675 1.00 0.00 C ATOM 1068 CG GLU A 66 7.524 -6.883 2.592 1.00 0.00 C ATOM 1069 CD GLU A 66 8.724 -7.438 3.360 1.00 0.00 C ATOM 1070 OE1 GLU A 66 9.487 -8.188 2.771 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.857 -7.106 4.527 1.00 0.00 O ATOM 0 H GLU A 66 6.405 -4.278 2.987 1.00 0.00 H new ATOM 0 HA GLU A 66 9.250 -4.874 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.147 -5.420 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.768 -6.084 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.768 -6.524 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.062 -7.674 2.001 1.00 0.00 H new ATOM 1078 N LEU A 67 8.309 -2.618 1.006 1.00 0.00 N ATOM 1079 CA LEU A 67 8.899 -1.611 0.061 1.00 0.00 C ATOM 1080 C LEU A 67 9.806 -0.612 0.796 1.00 0.00 C ATOM 1081 O LEU A 67 10.876 -0.279 0.327 1.00 0.00 O ATOM 1082 CB LEU A 67 7.775 -0.831 -0.634 1.00 0.00 C ATOM 1083 CG LEU A 67 6.961 -1.755 -1.557 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.656 -1.050 -1.940 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.749 -2.076 -2.838 1.00 0.00 C ATOM 0 H LEU A 67 7.300 -2.553 1.142 1.00 0.00 H new ATOM 0 HA LEU A 67 9.496 -2.156 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.119 -0.386 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.199 -0.012 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 67 6.754 -2.686 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.072 -1.697 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.082 -0.832 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.884 -0.119 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.155 -2.730 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.969 -1.151 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.682 -2.574 -2.576 1.00 0.00 H new ATOM 1097 N GLN A 68 9.383 -0.112 1.918 1.00 0.00 N ATOM 1098 CA GLN A 68 10.216 0.887 2.654 1.00 0.00 C ATOM 1099 C GLN A 68 11.369 0.202 3.392 1.00 0.00 C ATOM 1100 O GLN A 68 12.456 0.739 3.493 1.00 0.00 O ATOM 1101 CB GLN A 68 9.333 1.636 3.654 1.00 0.00 C ATOM 1102 CG GLN A 68 8.261 2.409 2.885 1.00 0.00 C ATOM 1103 CD GLN A 68 7.516 3.346 3.834 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.394 4.525 3.570 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.009 2.866 4.932 1.00 0.00 N ATOM 0 H GLN A 68 8.496 -0.349 2.362 1.00 0.00 H new ATOM 0 HA GLN A 68 10.642 1.587 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.868 0.934 4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.936 2.320 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.721 2.982 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.561 1.714 2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.113 1.875 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.508 3.480 5.573 1.00 0.00 H new ATOM 1114 N LYS A 69 11.150 -0.969 3.917 1.00 0.00 N ATOM 1115 CA LYS A 69 12.245 -1.666 4.654 1.00 0.00 C ATOM 1116 C LYS A 69 13.295 -2.197 3.670 1.00 0.00 C ATOM 1117 O LYS A 69 14.415 -2.478 4.048 1.00 0.00 O ATOM 1118 CB LYS A 69 11.666 -2.839 5.451 1.00 0.00 C ATOM 1119 CG LYS A 69 10.801 -2.315 6.600 1.00 0.00 C ATOM 1120 CD LYS A 69 10.140 -3.494 7.315 1.00 0.00 C ATOM 1121 CE LYS A 69 9.087 -2.969 8.294 1.00 0.00 C ATOM 1122 NZ LYS A 69 8.611 -4.078 9.168 1.00 0.00 N ATOM 0 H LYS A 69 10.265 -1.474 3.870 1.00 0.00 H new ATOM 0 HA LYS A 69 12.716 -0.955 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.070 -3.475 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.474 -3.456 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.413 -1.747 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.040 -1.635 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.676 -4.161 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.890 -4.077 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.510 -2.170 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.248 -2.541 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.896 -3.715 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.191 -4.827 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.413 -4.467 9.703 1.00 0.00 H new ATOM 1136 N ASP A 70 12.937 -2.362 2.416 1.00 0.00 N ATOM 1137 CA ASP A 70 13.912 -2.907 1.410 1.00 0.00 C ATOM 1138 C ASP A 70 14.376 -1.818 0.442 1.00 0.00 C ATOM 1139 O ASP A 70 15.557 -1.629 0.229 1.00 0.00 O ATOM 1140 CB ASP A 70 13.224 -4.014 0.606 1.00 0.00 C ATOM 1141 CG ASP A 70 14.199 -4.589 -0.428 1.00 0.00 C ATOM 1142 OD1 ASP A 70 15.296 -4.066 -0.538 1.00 0.00 O ATOM 1143 OD2 ASP A 70 13.827 -5.542 -1.094 1.00 0.00 O ATOM 0 H ASP A 70 12.012 -2.143 2.045 1.00 0.00 H new ATOM 0 HA ASP A 70 14.781 -3.292 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.883 -4.803 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.341 -3.617 0.105 1.00 0.00 H new ATOM 1148 N ILE A 71 13.460 -1.129 -0.177 1.00 0.00 N ATOM 1149 CA ILE A 71 13.850 -0.082 -1.169 1.00 0.00 C ATOM 1150 C ILE A 71 14.141 1.244 -0.461 1.00 0.00 C ATOM 1151 O ILE A 71 13.726 2.296 -0.906 1.00 0.00 O ATOM 1152 CB ILE A 71 12.705 0.114 -2.170 1.00 0.00 C ATOM 1153 CG1 ILE A 71 12.123 -1.249 -2.560 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.230 0.808 -3.430 1.00 0.00 C ATOM 1155 CD1 ILE A 71 10.994 -1.047 -3.569 1.00 0.00 C ATOM 0 H ILE A 71 12.456 -1.244 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 71 14.751 -0.405 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 71 11.932 0.728 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.901 -1.880 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.748 -1.763 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.412 0.945 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.646 1.780 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.006 0.194 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.578 -2.015 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.213 -0.432 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.384 -0.550 -4.457 1.00 0.00 H new ATOM 1167 N HIS A 72 14.856 1.213 0.628 1.00 0.00 N ATOM 1168 CA HIS A 72 15.173 2.486 1.336 1.00 0.00 C ATOM 1169 C HIS A 72 16.434 2.296 2.190 1.00 0.00 C ATOM 1170 O HIS A 72 16.509 2.757 3.311 1.00 0.00 O ATOM 1171 CB HIS A 72 13.975 2.883 2.223 1.00 0.00 C ATOM 1172 CG HIS A 72 13.901 4.385 2.337 1.00 0.00 C ATOM 1173 ND1 HIS A 72 13.949 5.042 3.554 1.00 0.00 N ATOM 1174 CD2 HIS A 72 13.812 5.368 1.383 1.00 0.00 C ATOM 1175 CE1 HIS A 72 13.896 6.364 3.303 1.00 0.00 C ATOM 1176 NE2 HIS A 72 13.812 6.617 1.995 1.00 0.00 N ATOM 0 H HIS A 72 15.233 0.368 1.057 1.00 0.00 H new ATOM 0 HA HIS A 72 15.358 3.280 0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.050 2.495 1.796 1.00 0.00 H new ATOM 0 HB3 HIS A 72 14.080 2.438 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.751 5.197 0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 72 13.919 7.127 4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 72 13.759 7.529 1.542 1.00 0.00 H new ATOM 1184 N ASP A 73 17.426 1.622 1.669 1.00 0.00 N ATOM 1185 CA ASP A 73 18.677 1.407 2.455 1.00 0.00 C ATOM 1186 C ASP A 73 18.321 0.869 3.841 1.00 0.00 C ATOM 1187 O ASP A 73 18.937 1.214 4.829 1.00 0.00 O ATOM 1188 CB ASP A 73 19.422 2.735 2.599 1.00 0.00 C ATOM 1189 CG ASP A 73 19.937 3.176 1.227 1.00 0.00 C ATOM 1190 OD1 ASP A 73 20.734 2.449 0.655 1.00 0.00 O ATOM 1191 OD2 ASP A 73 19.523 4.228 0.768 1.00 0.00 O ATOM 0 H ASP A 73 17.424 1.212 0.735 1.00 0.00 H new ATOM 0 HA ASP A 73 19.313 0.688 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.759 3.495 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.254 2.625 3.295 1.00 0.00 H new TER 1196 ASP A 73