USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 25 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 26 ASN : amide:sc= -1.21 K(o=-0.054,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.21 K(o=-2.2,f=-4.6!) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -124:sc= 0 (180deg=-0.0478) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0646 USER MOD Single : A 44 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.2!) USER MOD Single : A 50 GLN :FLIP amide:sc= 0.901 F(o=-0.021,f=0.9) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.3 USER MOD Single : A 71 ASN : amide:sc= -2.7 K(o=-2.7,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.0549 (180deg=-0.582) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.06 F(o=-2.7!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 2.400 -17.944 11.137 1.00 0.00 N ATOM 2 CA ALA A 2 2.869 -18.161 9.780 1.00 0.00 C ATOM 3 C ALA A 2 2.190 -17.159 8.844 1.00 0.00 C ATOM 4 O ALA A 2 1.308 -16.411 9.263 1.00 0.00 O ATOM 5 CB ALA A 2 2.602 -19.612 9.373 1.00 0.00 C ATOM 0 HA ALA A 2 3.945 -17.997 9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.954 -19.775 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.130 -20.283 10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.532 -19.813 9.424 1.00 0.00 H new ATOM 11 N ASP A 3 2.626 -17.178 7.593 1.00 0.00 N ATOM 12 CA ASP A 3 2.072 -16.280 6.594 1.00 0.00 C ATOM 13 C ASP A 3 2.463 -14.840 6.935 1.00 0.00 C ATOM 14 O ASP A 3 1.682 -14.107 7.539 1.00 0.00 O ATOM 15 CB ASP A 3 0.544 -16.361 6.567 1.00 0.00 C ATOM 16 CG ASP A 3 -0.032 -17.765 6.762 1.00 0.00 C ATOM 17 OD1 ASP A 3 -0.199 -18.152 7.938 1.00 0.00 O ATOM 18 OD2 ASP A 3 -0.292 -18.419 5.729 1.00 0.00 O ATOM 0 H ASP A 3 3.356 -17.801 7.248 1.00 0.00 H new ATOM 0 HA ASP A 3 2.466 -16.574 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.147 -15.710 7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.191 -15.969 5.613 1.00 0.00 H new ATOM 23 N GLU A 4 3.672 -14.478 6.533 1.00 0.00 N ATOM 24 CA GLU A 4 4.177 -13.140 6.787 1.00 0.00 C ATOM 25 C GLU A 4 4.980 -12.637 5.586 1.00 0.00 C ATOM 26 O GLU A 4 5.703 -11.648 5.689 1.00 0.00 O ATOM 27 CB GLU A 4 5.021 -13.106 8.063 1.00 0.00 C ATOM 28 CG GLU A 4 6.194 -14.083 7.971 1.00 0.00 C ATOM 29 CD GLU A 4 5.807 -15.458 8.521 1.00 0.00 C ATOM 30 OE1 GLU A 4 5.265 -16.255 7.725 1.00 0.00 O ATOM 31 OE2 GLU A 4 6.062 -15.681 9.724 1.00 0.00 O ATOM 0 H GLU A 4 4.317 -15.089 6.032 1.00 0.00 H new ATOM 0 HA GLU A 4 3.326 -12.475 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.396 -12.096 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.399 -13.359 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.511 -14.179 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.044 -13.690 8.529 1.00 0.00 H new ATOM 38 N ALA A 5 4.824 -13.341 4.475 1.00 0.00 N ATOM 39 CA ALA A 5 5.525 -12.978 3.254 1.00 0.00 C ATOM 40 C ALA A 5 4.678 -11.981 2.462 1.00 0.00 C ATOM 41 O ALA A 5 5.171 -11.340 1.536 1.00 0.00 O ATOM 42 CB ALA A 5 5.841 -14.242 2.453 1.00 0.00 C ATOM 0 H ALA A 5 4.223 -14.161 4.394 1.00 0.00 H new ATOM 0 HA ALA A 5 6.473 -12.493 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.367 -13.971 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.469 -14.903 3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.913 -14.754 2.200 1.00 0.00 H new ATOM 48 N ILE A 6 3.416 -11.882 2.855 1.00 0.00 N ATOM 49 CA ILE A 6 2.496 -10.973 2.192 1.00 0.00 C ATOM 50 C ILE A 6 2.512 -9.623 2.912 1.00 0.00 C ATOM 51 O ILE A 6 2.564 -8.575 2.269 1.00 0.00 O ATOM 52 CB ILE A 6 1.103 -11.600 2.094 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.917 -12.313 0.754 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.013 -10.556 2.343 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.450 -12.999 0.682 1.00 0.00 C ATOM 0 H ILE A 6 3.009 -12.416 3.623 1.00 0.00 H new ATOM 0 HA ILE A 6 2.813 -10.791 1.165 1.00 0.00 H new ATOM 0 HB ILE A 6 1.012 -12.354 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.010 -11.594 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.706 -13.052 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.967 -11.028 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.136 -10.132 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.092 -9.763 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.556 -13.498 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.531 -13.734 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.237 -12.254 0.793 1.00 0.00 H new ATOM 67 N LYS A 7 2.468 -9.692 4.233 1.00 0.00 N ATOM 68 CA LYS A 7 2.478 -8.487 5.047 1.00 0.00 C ATOM 69 C LYS A 7 3.816 -7.767 4.868 1.00 0.00 C ATOM 70 O LYS A 7 3.857 -6.541 4.778 1.00 0.00 O ATOM 71 CB LYS A 7 2.150 -8.822 6.504 1.00 0.00 C ATOM 72 CG LYS A 7 1.319 -7.709 7.147 1.00 0.00 C ATOM 73 CD LYS A 7 1.663 -7.557 8.631 1.00 0.00 C ATOM 74 CE LYS A 7 0.492 -7.996 9.512 1.00 0.00 C ATOM 75 NZ LYS A 7 0.887 -7.994 10.938 1.00 0.00 N ATOM 0 H LYS A 7 2.425 -10.563 4.762 1.00 0.00 H new ATOM 0 HA LYS A 7 1.699 -7.799 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.602 -9.763 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.073 -8.963 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.502 -6.768 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.258 -7.932 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.544 -8.154 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.915 -6.518 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.355 -7.326 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.164 -8.994 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.081 -8.294 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.681 -8.651 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.178 -7.035 11.216 1.00 0.00 H new ATOM 89 N ASN A 8 4.877 -8.559 4.819 1.00 0.00 N ATOM 90 CA ASN A 8 6.212 -8.012 4.652 1.00 0.00 C ATOM 91 C ASN A 8 6.326 -7.368 3.269 1.00 0.00 C ATOM 92 O ASN A 8 6.599 -6.174 3.156 1.00 0.00 O ATOM 93 CB ASN A 8 7.273 -9.110 4.751 1.00 0.00 C ATOM 94 CG ASN A 8 8.604 -8.543 5.253 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.884 -7.361 5.144 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.403 -9.451 5.806 1.00 0.00 N ATOM 0 H ASN A 8 4.839 -9.576 4.892 1.00 0.00 H new ATOM 0 HA ASN A 8 6.377 -7.278 5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.929 -9.893 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.416 -9.572 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.314 -9.174 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.105 -10.425 5.865 1.00 0.00 H new ATOM 103 N GLY A 9 6.109 -8.188 2.251 1.00 0.00 N ATOM 104 CA GLY A 9 6.184 -7.713 0.880 1.00 0.00 C ATOM 105 C GLY A 9 5.407 -6.407 0.708 1.00 0.00 C ATOM 106 O GLY A 9 5.945 -5.421 0.205 1.00 0.00 O ATOM 0 H GLY A 9 5.881 -9.178 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.227 -7.559 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.782 -8.470 0.207 1.00 0.00 H new ATOM 110 N VAL A 10 4.154 -6.440 1.138 1.00 0.00 N ATOM 111 CA VAL A 10 3.298 -5.270 1.038 1.00 0.00 C ATOM 112 C VAL A 10 4.029 -4.057 1.617 1.00 0.00 C ATOM 113 O VAL A 10 4.109 -3.012 0.974 1.00 0.00 O ATOM 114 CB VAL A 10 1.958 -5.543 1.725 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.245 -4.235 2.074 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.070 -6.438 0.857 1.00 0.00 C ATOM 0 H VAL A 10 3.711 -7.258 1.556 1.00 0.00 H new ATOM 0 HA VAL A 10 3.075 -5.048 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 10 2.160 -6.073 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.295 -4.457 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.870 -3.648 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.061 -3.666 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.124 -6.617 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.880 -5.946 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.573 -7.389 0.681 1.00 0.00 H new ATOM 126 N LEU A 11 4.545 -4.238 2.824 1.00 0.00 N ATOM 127 CA LEU A 11 5.267 -3.171 3.497 1.00 0.00 C ATOM 128 C LEU A 11 6.540 -2.848 2.710 1.00 0.00 C ATOM 129 O LEU A 11 6.794 -1.691 2.379 1.00 0.00 O ATOM 130 CB LEU A 11 5.524 -3.537 4.960 1.00 0.00 C ATOM 131 CG LEU A 11 5.250 -2.435 5.985 1.00 0.00 C ATOM 132 CD1 LEU A 11 6.057 -2.663 7.264 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.506 -1.051 5.384 1.00 0.00 C ATOM 0 H LEU A 11 4.478 -5.107 3.353 1.00 0.00 H new ATOM 0 HA LEU A 11 4.667 -2.261 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.908 -4.401 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.564 -3.847 5.059 1.00 0.00 H new ATOM 0 HG LEU A 11 4.196 -2.477 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.844 -1.866 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.782 -3.623 7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.121 -2.663 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.304 -0.286 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.546 -0.980 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.851 -0.900 4.526 1.00 0.00 H new ATOM 145 N ASP A 12 7.307 -3.892 2.434 1.00 0.00 N ATOM 146 CA ASP A 12 8.547 -3.735 1.693 1.00 0.00 C ATOM 147 C ASP A 12 8.273 -2.949 0.410 1.00 0.00 C ATOM 148 O ASP A 12 8.879 -1.904 0.177 1.00 0.00 O ATOM 149 CB ASP A 12 9.130 -5.094 1.300 1.00 0.00 C ATOM 150 CG ASP A 12 10.657 -5.171 1.314 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.254 -4.804 0.279 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.194 -5.596 2.360 1.00 0.00 O ATOM 0 H ASP A 12 7.094 -4.850 2.710 1.00 0.00 H new ATOM 0 HA ASP A 12 9.257 -3.209 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.737 -5.851 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.778 -5.348 0.300 1.00 0.00 H new ATOM 157 N ILE A 13 7.360 -3.481 -0.389 1.00 0.00 N ATOM 158 CA ILE A 13 6.998 -2.842 -1.643 1.00 0.00 C ATOM 159 C ILE A 13 6.539 -1.408 -1.366 1.00 0.00 C ATOM 160 O ILE A 13 6.534 -0.569 -2.266 1.00 0.00 O ATOM 161 CB ILE A 13 5.966 -3.683 -2.395 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.647 -4.635 -3.380 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.928 -2.793 -3.083 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.961 -6.003 -3.383 1.00 0.00 C ATOM 0 H ILE A 13 6.860 -4.348 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 13 7.864 -2.779 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 13 5.433 -4.297 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.619 -4.208 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.697 -4.751 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.206 -3.417 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.410 -2.193 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.427 -2.135 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.464 -6.661 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.012 -6.438 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.917 -5.886 -3.675 1.00 0.00 H new ATOM 176 N LEU A 14 6.165 -1.171 -0.117 1.00 0.00 N ATOM 177 CA LEU A 14 5.706 0.146 0.290 1.00 0.00 C ATOM 178 C LEU A 14 6.911 1.001 0.685 1.00 0.00 C ATOM 179 O LEU A 14 7.251 1.959 -0.009 1.00 0.00 O ATOM 180 CB LEU A 14 4.648 0.028 1.389 1.00 0.00 C ATOM 181 CG LEU A 14 3.234 0.471 1.009 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.417 -0.705 0.470 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.540 1.159 2.187 1.00 0.00 C ATOM 0 H LEU A 14 6.171 -1.869 0.627 1.00 0.00 H new ATOM 0 HA LEU A 14 5.214 0.652 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.606 -1.011 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.975 0.618 2.245 1.00 0.00 H new ATOM 0 HG LEU A 14 3.310 1.205 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.416 -0.363 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.905 -1.112 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.347 -1.480 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.537 1.464 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.475 0.466 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.113 2.037 2.485 1.00 0.00 H new ATOM 195 N ALA A 15 7.524 0.626 1.798 1.00 0.00 N ATOM 196 CA ALA A 15 8.684 1.347 2.293 1.00 0.00 C ATOM 197 C ALA A 15 9.707 1.496 1.165 1.00 0.00 C ATOM 198 O ALA A 15 10.413 2.500 1.092 1.00 0.00 O ATOM 199 CB ALA A 15 9.259 0.617 3.508 1.00 0.00 C ATOM 0 H ALA A 15 7.239 -0.168 2.371 1.00 0.00 H new ATOM 0 HA ALA A 15 8.403 2.349 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.129 1.158 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.503 0.564 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.555 -0.392 3.220 1.00 0.00 H new ATOM 205 N ASP A 16 9.753 0.481 0.314 1.00 0.00 N ATOM 206 CA ASP A 16 10.677 0.487 -0.807 1.00 0.00 C ATOM 207 C ASP A 16 10.288 1.604 -1.778 1.00 0.00 C ATOM 208 O ASP A 16 11.151 2.322 -2.280 1.00 0.00 O ATOM 209 CB ASP A 16 10.628 -0.840 -1.568 1.00 0.00 C ATOM 210 CG ASP A 16 11.472 -0.885 -2.843 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.714 -0.899 -2.702 1.00 0.00 O ATOM 212 OD2 ASP A 16 10.857 -0.906 -3.931 1.00 0.00 O ATOM 0 H ASP A 16 9.166 -0.350 0.379 1.00 0.00 H new ATOM 0 HA ASP A 16 11.682 0.641 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.960 -1.636 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.591 -1.054 -1.828 1.00 0.00 H new ATOM 217 N LEU A 17 8.989 1.714 -2.014 1.00 0.00 N ATOM 218 CA LEU A 17 8.476 2.732 -2.916 1.00 0.00 C ATOM 219 C LEU A 17 8.789 4.116 -2.347 1.00 0.00 C ATOM 220 O LEU A 17 9.437 4.930 -3.003 1.00 0.00 O ATOM 221 CB LEU A 17 6.989 2.501 -3.191 1.00 0.00 C ATOM 222 CG LEU A 17 6.585 2.423 -4.665 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.334 1.560 -4.846 1.00 0.00 C ATOM 224 CD2 LEU A 17 6.407 3.822 -5.259 1.00 0.00 C ATOM 0 H LEU A 17 8.276 1.115 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 17 8.970 2.668 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.689 1.574 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.423 3.306 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 17 7.392 1.939 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.068 1.521 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.533 0.551 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.509 1.992 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.120 3.738 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.629 4.354 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.345 4.372 -5.182 1.00 0.00 H new ATOM 236 N THR A 18 8.313 4.343 -1.130 1.00 0.00 N ATOM 237 CA THR A 18 8.534 5.615 -0.465 1.00 0.00 C ATOM 238 C THR A 18 10.032 5.872 -0.289 1.00 0.00 C ATOM 239 O THR A 18 10.464 7.022 -0.219 1.00 0.00 O ATOM 240 CB THR A 18 7.762 5.599 0.855 1.00 0.00 C ATOM 241 OG1 THR A 18 8.469 4.660 1.660 1.00 0.00 O ATOM 242 CG2 THR A 18 6.366 4.989 0.710 1.00 0.00 C ATOM 0 H THR A 18 7.775 3.666 -0.588 1.00 0.00 H new ATOM 0 HA THR A 18 8.162 6.445 -1.066 1.00 0.00 H new ATOM 0 HB THR A 18 7.676 6.616 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.036 4.589 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.861 5.002 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.788 5.569 -0.009 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.453 3.960 0.360 1.00 0.00 H new ATOM 250 N GLY A 19 10.783 4.783 -0.224 1.00 0.00 N ATOM 251 CA GLY A 19 12.224 4.877 -0.058 1.00 0.00 C ATOM 252 C GLY A 19 12.585 5.291 1.370 1.00 0.00 C ATOM 253 O GLY A 19 13.740 5.604 1.656 1.00 0.00 O ATOM 0 H GLY A 19 10.421 3.831 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.684 3.916 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.629 5.602 -0.764 1.00 0.00 H new ATOM 257 N SER A 20 11.577 5.279 2.229 1.00 0.00 N ATOM 258 CA SER A 20 11.774 5.650 3.620 1.00 0.00 C ATOM 259 C SER A 20 11.303 4.518 4.534 1.00 0.00 C ATOM 260 O SER A 20 10.334 3.826 4.224 1.00 0.00 O ATOM 261 CB SER A 20 11.033 6.946 3.955 1.00 0.00 C ATOM 262 OG SER A 20 11.424 8.020 3.104 1.00 0.00 O ATOM 0 H SER A 20 10.621 5.018 1.989 1.00 0.00 H new ATOM 0 HA SER A 20 12.838 5.820 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.959 6.784 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.227 7.217 4.993 1.00 0.00 H new ATOM 0 HG SER A 20 10.927 8.829 3.349 1.00 0.00 H new ATOM 268 N ASP A 21 12.012 4.363 5.644 1.00 0.00 N ATOM 269 CA ASP A 21 11.678 3.326 6.605 1.00 0.00 C ATOM 270 C ASP A 21 10.743 3.905 7.669 1.00 0.00 C ATOM 271 O ASP A 21 10.709 3.423 8.800 1.00 0.00 O ATOM 272 CB ASP A 21 12.933 2.807 7.312 1.00 0.00 C ATOM 273 CG ASP A 21 14.120 3.771 7.313 1.00 0.00 C ATOM 274 OD1 ASP A 21 13.903 4.939 7.702 1.00 0.00 O ATOM 275 OD2 ASP A 21 15.220 3.318 6.927 1.00 0.00 O ATOM 0 H ASP A 21 12.815 4.938 5.898 1.00 0.00 H new ATOM 0 HA ASP A 21 11.201 2.507 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.678 2.568 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.241 1.876 6.836 1.00 0.00 H new ATOM 280 N ASP A 22 10.007 4.931 7.269 1.00 0.00 N ATOM 281 CA ASP A 22 9.073 5.580 8.173 1.00 0.00 C ATOM 282 C ASP A 22 7.735 4.839 8.136 1.00 0.00 C ATOM 283 O ASP A 22 6.979 4.867 9.106 1.00 0.00 O ATOM 284 CB ASP A 22 8.822 7.031 7.757 1.00 0.00 C ATOM 285 CG ASP A 22 8.603 8.007 8.915 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.329 7.513 10.029 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.715 9.226 8.658 1.00 0.00 O ATOM 0 H ASP A 22 10.038 5.329 6.330 1.00 0.00 H new ATOM 0 HA ASP A 22 9.504 5.561 9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.671 7.376 7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.948 7.061 7.106 1.00 0.00 H new ATOM 292 N VAL A 23 7.483 4.195 7.007 1.00 0.00 N ATOM 293 CA VAL A 23 6.249 3.447 6.830 1.00 0.00 C ATOM 294 C VAL A 23 6.452 2.013 7.321 1.00 0.00 C ATOM 295 O VAL A 23 5.484 1.292 7.561 1.00 0.00 O ATOM 296 CB VAL A 23 5.796 3.522 5.371 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.853 2.927 4.438 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.445 2.830 5.180 1.00 0.00 C ATOM 0 H VAL A 23 8.112 4.175 6.204 1.00 0.00 H new ATOM 0 HA VAL A 23 5.448 3.884 7.427 1.00 0.00 H new ATOM 0 HB VAL A 23 5.673 4.574 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.506 2.993 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.785 3.482 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.021 1.882 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.146 2.898 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.530 1.782 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.695 3.317 5.804 1.00 0.00 H new ATOM 308 N LYS A 24 7.717 1.641 7.455 1.00 0.00 N ATOM 309 CA LYS A 24 8.059 0.305 7.914 1.00 0.00 C ATOM 310 C LYS A 24 7.779 0.197 9.414 1.00 0.00 C ATOM 311 O LYS A 24 7.848 -0.889 9.986 1.00 0.00 O ATOM 312 CB LYS A 24 9.500 -0.040 7.532 1.00 0.00 C ATOM 313 CG LYS A 24 9.882 -1.433 8.035 1.00 0.00 C ATOM 314 CD LYS A 24 10.958 -1.348 9.119 1.00 0.00 C ATOM 315 CE LYS A 24 11.564 -2.725 9.399 1.00 0.00 C ATOM 316 NZ LYS A 24 11.555 -3.009 10.852 1.00 0.00 N ATOM 0 H LYS A 24 8.517 2.241 7.254 1.00 0.00 H new ATOM 0 HA LYS A 24 7.435 -0.438 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.613 0.003 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.179 0.701 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.000 -1.935 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.245 -2.037 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.742 -0.659 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.526 -0.944 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.999 -3.492 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.586 -2.763 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.970 -3.947 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.113 -2.287 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.576 -2.993 11.203 1.00 0.00 H new ATOM 330 N LYS A 25 7.469 1.340 10.009 1.00 0.00 N ATOM 331 CA LYS A 25 7.179 1.388 11.432 1.00 0.00 C ATOM 332 C LYS A 25 5.750 1.897 11.639 1.00 0.00 C ATOM 333 O LYS A 25 4.957 1.265 12.335 1.00 0.00 O ATOM 334 CB LYS A 25 8.238 2.212 12.168 1.00 0.00 C ATOM 335 CG LYS A 25 8.264 3.653 11.657 1.00 0.00 C ATOM 336 CD LYS A 25 7.240 4.517 12.396 1.00 0.00 C ATOM 337 CE LYS A 25 7.932 5.481 13.362 1.00 0.00 C ATOM 338 NZ LYS A 25 7.050 5.788 14.509 1.00 0.00 N ATOM 0 H LYS A 25 7.412 2.240 9.531 1.00 0.00 H new ATOM 0 HA LYS A 25 7.229 0.389 11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.030 2.206 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.219 1.756 12.031 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.262 4.072 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.053 3.667 10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.647 5.081 11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.549 3.878 12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.863 5.041 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.194 6.402 12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.365 6.669 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.072 5.902 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.091 5.009 15.197 1.00 0.00 H new ATOM 352 N ASN A 26 5.466 3.035 11.023 1.00 0.00 N ATOM 353 CA ASN A 26 4.148 3.636 11.132 1.00 0.00 C ATOM 354 C ASN A 26 3.165 2.862 10.251 1.00 0.00 C ATOM 355 O ASN A 26 3.461 2.569 9.093 1.00 0.00 O ATOM 356 CB ASN A 26 4.165 5.090 10.656 1.00 0.00 C ATOM 357 CG ASN A 26 4.170 6.055 11.843 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.915 5.902 12.798 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.301 7.056 11.732 1.00 0.00 N ATOM 0 H ASN A 26 6.126 3.557 10.447 1.00 0.00 H new ATOM 0 HA ASN A 26 3.847 3.602 12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.046 5.264 10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.293 5.282 10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.229 7.754 12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.706 7.126 10.906 1.00 0.00 H new ATOM 366 N LEU A 27 2.015 2.554 10.832 1.00 0.00 N ATOM 367 CA LEU A 27 0.987 1.819 10.114 1.00 0.00 C ATOM 368 C LEU A 27 -0.182 2.757 9.805 1.00 0.00 C ATOM 369 O LEU A 27 -1.335 2.332 9.789 1.00 0.00 O ATOM 370 CB LEU A 27 0.581 0.566 10.894 1.00 0.00 C ATOM 371 CG LEU A 27 1.695 -0.447 11.161 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.296 -1.419 12.274 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.092 -1.178 9.877 1.00 0.00 C ATOM 0 H LEU A 27 1.772 2.800 11.792 1.00 0.00 H new ATOM 0 HA LEU A 27 1.371 1.461 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.163 0.877 11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.216 0.064 10.346 1.00 0.00 H new ATOM 0 HG LEU A 27 2.575 0.096 11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.105 -2.129 12.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.102 -0.862 13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.396 -1.959 11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.886 -1.892 10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.227 -1.708 9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.446 -0.456 9.142 1.00 0.00 H new ATOM 385 N ASP A 28 0.158 4.015 9.567 1.00 0.00 N ATOM 386 CA ASP A 28 -0.848 5.017 9.259 1.00 0.00 C ATOM 387 C ASP A 28 -0.163 6.269 8.708 1.00 0.00 C ATOM 388 O ASP A 28 -0.650 7.383 8.900 1.00 0.00 O ATOM 389 CB ASP A 28 -1.628 5.417 10.512 1.00 0.00 C ATOM 390 CG ASP A 28 -3.142 5.215 10.424 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.556 4.391 9.580 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.851 5.889 11.202 1.00 0.00 O ATOM 0 H ASP A 28 1.117 4.363 9.581 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.535 4.592 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.249 4.842 11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.429 6.467 10.726 1.00 0.00 H new ATOM 397 N LEU A 29 0.956 6.045 8.035 1.00 0.00 N ATOM 398 CA LEU A 29 1.713 7.142 7.455 1.00 0.00 C ATOM 399 C LEU A 29 1.108 7.512 6.099 1.00 0.00 C ATOM 400 O LEU A 29 1.463 6.926 5.078 1.00 0.00 O ATOM 401 CB LEU A 29 3.200 6.791 7.390 1.00 0.00 C ATOM 402 CG LEU A 29 4.169 7.975 7.389 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.089 8.752 8.705 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.596 7.516 7.080 1.00 0.00 C ATOM 0 H LEU A 29 1.357 5.120 7.878 1.00 0.00 H new ATOM 0 HA LEU A 29 1.646 8.028 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.440 6.152 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.375 6.203 6.489 1.00 0.00 H new ATOM 0 HG LEU A 29 3.871 8.658 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.788 9.588 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.076 9.130 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.346 8.092 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.264 8.377 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.920 6.800 7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.622 7.043 6.098 1.00 0.00 H new ATOM 416 N ASN A 30 0.205 8.481 6.133 1.00 0.00 N ATOM 417 CA ASN A 30 -0.451 8.936 4.920 1.00 0.00 C ATOM 418 C ASN A 30 0.567 8.976 3.778 1.00 0.00 C ATOM 419 O ASN A 30 1.331 9.932 3.656 1.00 0.00 O ATOM 420 CB ASN A 30 -1.018 10.346 5.096 1.00 0.00 C ATOM 421 CG ASN A 30 -2.545 10.340 4.989 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.128 10.860 4.052 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.156 9.725 5.996 1.00 0.00 N ATOM 0 H ASN A 30 -0.088 8.964 6.983 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.264 8.245 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.719 10.744 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.599 11.008 4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.174 9.667 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.607 9.311 6.749 1.00 0.00 H new ATOM 430 N LEU A 31 0.543 7.926 2.971 1.00 0.00 N ATOM 431 CA LEU A 31 1.455 7.828 1.844 1.00 0.00 C ATOM 432 C LEU A 31 1.282 9.055 0.946 1.00 0.00 C ATOM 433 O LEU A 31 2.196 9.424 0.211 1.00 0.00 O ATOM 434 CB LEU A 31 1.262 6.498 1.112 1.00 0.00 C ATOM 435 CG LEU A 31 1.356 5.238 1.974 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.610 4.071 1.324 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.816 4.889 2.276 1.00 0.00 C ATOM 0 H LEU A 31 -0.093 7.136 3.075 1.00 0.00 H new ATOM 0 HA LEU A 31 2.489 7.828 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.285 6.511 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.009 6.430 0.321 1.00 0.00 H new ATOM 0 HG LEU A 31 0.868 5.439 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.693 3.188 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.441 4.333 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.046 3.859 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.855 3.989 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.349 4.714 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.284 5.715 2.812 1.00 0.00 H new ATOM 449 N PHE A 32 0.103 9.653 1.036 1.00 0.00 N ATOM 450 CA PHE A 32 -0.201 10.831 0.241 1.00 0.00 C ATOM 451 C PHE A 32 0.135 12.111 1.007 1.00 0.00 C ATOM 452 O PHE A 32 0.901 12.944 0.526 1.00 0.00 O ATOM 453 CB PHE A 32 -1.705 10.801 -0.045 1.00 0.00 C ATOM 454 CG PHE A 32 -2.103 9.863 -1.186 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.365 9.831 -2.328 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.194 9.061 -1.058 1.00 0.00 C ATOM 457 CE1 PHE A 32 -1.735 8.960 -3.388 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.563 8.191 -2.117 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.826 8.159 -3.259 1.00 0.00 C ATOM 0 H PHE A 32 -0.653 9.344 1.647 1.00 0.00 H new ATOM 0 HA PHE A 32 0.388 10.824 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.231 10.498 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.039 11.810 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.498 10.467 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.779 9.086 -0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.150 8.934 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.429 7.554 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.107 7.497 -4.064 1.00 0.00 H new ATOM 469 N GLU A 33 -0.455 12.228 2.188 1.00 0.00 N ATOM 470 CA GLU A 33 -0.227 13.393 3.027 1.00 0.00 C ATOM 471 C GLU A 33 1.251 13.488 3.413 1.00 0.00 C ATOM 472 O GLU A 33 1.706 14.527 3.888 1.00 0.00 O ATOM 473 CB GLU A 33 -1.118 13.357 4.269 1.00 0.00 C ATOM 474 CG GLU A 33 -1.552 14.767 4.674 1.00 0.00 C ATOM 475 CD GLU A 33 -2.868 14.733 5.454 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.843 14.202 6.585 1.00 0.00 O ATOM 477 OE2 GLU A 33 -3.869 15.238 4.902 1.00 0.00 O ATOM 0 H GLU A 33 -1.091 11.535 2.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.491 14.284 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.998 12.744 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.581 12.887 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.776 15.229 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.669 15.385 3.784 1.00 0.00 H new ATOM 484 N THR A 34 1.958 12.390 3.195 1.00 0.00 N ATOM 485 CA THR A 34 3.374 12.336 3.515 1.00 0.00 C ATOM 486 C THR A 34 4.213 12.688 2.284 1.00 0.00 C ATOM 487 O THR A 34 5.407 12.963 2.399 1.00 0.00 O ATOM 488 CB THR A 34 3.679 10.948 4.081 1.00 0.00 C ATOM 489 OG1 THR A 34 2.865 10.862 5.247 1.00 0.00 O ATOM 490 CG2 THR A 34 5.109 10.834 4.615 1.00 0.00 C ATOM 0 H THR A 34 1.577 11.530 2.800 1.00 0.00 H new ATOM 0 HA THR A 34 3.637 13.076 4.271 1.00 0.00 H new ATOM 0 HB THR A 34 3.520 10.198 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.971 10.548 4.999 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.273 9.829 5.005 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.815 11.030 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.259 11.562 5.413 1.00 0.00 H new ATOM 498 N GLY A 35 3.555 12.669 1.134 1.00 0.00 N ATOM 499 CA GLY A 35 4.225 12.982 -0.117 1.00 0.00 C ATOM 500 C GLY A 35 5.003 11.774 -0.640 1.00 0.00 C ATOM 501 O GLY A 35 5.655 11.853 -1.680 1.00 0.00 O ATOM 0 H GLY A 35 2.565 12.442 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.490 13.294 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.905 13.821 0.031 1.00 0.00 H new ATOM 505 N LEU A 36 4.908 10.681 0.105 1.00 0.00 N ATOM 506 CA LEU A 36 5.595 9.457 -0.271 1.00 0.00 C ATOM 507 C LEU A 36 5.081 8.987 -1.633 1.00 0.00 C ATOM 508 O LEU A 36 5.867 8.606 -2.500 1.00 0.00 O ATOM 509 CB LEU A 36 5.461 8.407 0.832 1.00 0.00 C ATOM 510 CG LEU A 36 5.849 8.861 2.241 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.550 7.768 3.270 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.310 9.310 2.290 1.00 0.00 C ATOM 0 H LEU A 36 4.366 10.618 0.967 1.00 0.00 H new ATOM 0 HA LEU A 36 6.664 9.638 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.427 8.062 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.077 7.548 0.566 1.00 0.00 H new ATOM 0 HG LEU A 36 5.238 9.725 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.835 8.116 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.485 7.538 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.118 6.871 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.559 9.627 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.955 8.481 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.458 10.142 1.602 1.00 0.00 H new ATOM 524 N LEU A 37 3.765 9.031 -1.781 1.00 0.00 N ATOM 525 CA LEU A 37 3.138 8.614 -3.023 1.00 0.00 C ATOM 526 C LEU A 37 2.408 9.806 -3.646 1.00 0.00 C ATOM 527 O LEU A 37 2.300 10.864 -3.028 1.00 0.00 O ATOM 528 CB LEU A 37 2.239 7.398 -2.788 1.00 0.00 C ATOM 529 CG LEU A 37 2.279 6.315 -3.867 1.00 0.00 C ATOM 530 CD1 LEU A 37 3.657 5.655 -3.930 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.161 5.291 -3.659 1.00 0.00 C ATOM 0 H LEU A 37 3.116 9.349 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 37 3.892 8.290 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.516 6.945 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.211 7.745 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 37 2.105 6.789 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.658 4.889 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.411 6.408 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.886 5.198 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.213 4.532 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.278 4.817 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.195 5.793 -3.704 1.00 0.00 H new ATOM 543 N ASP A 38 1.928 9.595 -4.863 1.00 0.00 N ATOM 544 CA ASP A 38 1.213 10.639 -5.576 1.00 0.00 C ATOM 545 C ASP A 38 -0.042 10.045 -6.219 1.00 0.00 C ATOM 546 O ASP A 38 -1.145 10.548 -6.019 1.00 0.00 O ATOM 547 CB ASP A 38 2.075 11.237 -6.688 1.00 0.00 C ATOM 548 CG ASP A 38 3.102 12.273 -6.225 1.00 0.00 C ATOM 549 OD1 ASP A 38 3.754 12.003 -5.193 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.211 13.312 -6.912 1.00 0.00 O ATOM 0 H ASP A 38 2.020 8.716 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 38 0.956 11.420 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.601 10.428 -7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.420 11.701 -7.425 1.00 0.00 H new ATOM 555 N SER A 39 0.170 8.979 -6.980 1.00 0.00 N ATOM 556 CA SER A 39 -0.930 8.310 -7.653 1.00 0.00 C ATOM 557 C SER A 39 -0.397 7.161 -8.511 1.00 0.00 C ATOM 558 O SER A 39 -0.805 6.013 -8.341 1.00 0.00 O ATOM 559 CB SER A 39 -1.726 9.292 -8.517 1.00 0.00 C ATOM 560 OG SER A 39 -2.518 8.622 -9.493 1.00 0.00 O ATOM 0 H SER A 39 1.087 8.563 -7.144 1.00 0.00 H new ATOM 0 HA SER A 39 -1.601 7.908 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.371 9.896 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.039 9.976 -9.015 1.00 0.00 H new ATOM 0 HG SER A 39 -3.012 9.282 -10.023 1.00 0.00 H new ATOM 566 N MET A 40 0.508 7.510 -9.414 1.00 0.00 N ATOM 567 CA MET A 40 1.102 6.522 -10.299 1.00 0.00 C ATOM 568 C MET A 40 1.636 5.326 -9.506 1.00 0.00 C ATOM 569 O MET A 40 1.385 4.177 -9.865 1.00 0.00 O ATOM 570 CB MET A 40 2.246 7.163 -11.087 1.00 0.00 C ATOM 571 CG MET A 40 1.784 7.573 -12.486 1.00 0.00 C ATOM 572 SD MET A 40 2.932 6.962 -13.710 1.00 0.00 S ATOM 573 CE MET A 40 2.521 5.225 -13.681 1.00 0.00 C ATOM 0 H MET A 40 0.844 8.463 -9.552 1.00 0.00 H new ATOM 0 HA MET A 40 0.332 6.166 -10.984 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.616 8.037 -10.552 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.077 6.461 -11.165 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.787 7.176 -12.680 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.713 8.659 -12.551 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.417 4.643 -13.467 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.775 5.040 -12.908 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.119 4.930 -14.650 1.00 0.00 H new ATOM 583 N GLY A 41 2.363 5.639 -8.443 1.00 0.00 N ATOM 584 CA GLY A 41 2.934 4.606 -7.596 1.00 0.00 C ATOM 585 C GLY A 41 1.919 3.491 -7.331 1.00 0.00 C ATOM 586 O GLY A 41 2.230 2.312 -7.490 1.00 0.00 O ATOM 0 H GLY A 41 2.570 6.594 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.821 4.189 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.255 5.043 -6.650 1.00 0.00 H new ATOM 590 N THR A 42 0.726 3.905 -6.930 1.00 0.00 N ATOM 591 CA THR A 42 -0.336 2.956 -6.641 1.00 0.00 C ATOM 592 C THR A 42 -0.499 1.969 -7.798 1.00 0.00 C ATOM 593 O THR A 42 -0.750 0.785 -7.579 1.00 0.00 O ATOM 594 CB THR A 42 -1.608 3.750 -6.336 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.236 3.011 -5.292 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.618 3.703 -7.485 1.00 0.00 C ATOM 0 H THR A 42 0.471 4.884 -6.798 1.00 0.00 H new ATOM 0 HA THR A 42 -0.097 2.348 -5.768 1.00 0.00 H new ATOM 0 HB THR A 42 -1.347 4.787 -6.125 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.069 3.457 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.502 4.282 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.167 4.125 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.906 2.669 -7.674 1.00 0.00 H new ATOM 604 N VAL A 43 -0.350 2.492 -9.007 1.00 0.00 N ATOM 605 CA VAL A 43 -0.477 1.672 -10.198 1.00 0.00 C ATOM 606 C VAL A 43 0.560 0.548 -10.153 1.00 0.00 C ATOM 607 O VAL A 43 0.403 -0.475 -10.817 1.00 0.00 O ATOM 608 CB VAL A 43 -0.358 2.545 -11.449 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.601 1.722 -12.717 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.314 3.738 -11.378 1.00 0.00 C ATOM 0 H VAL A 43 -0.142 3.474 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.461 1.204 -10.236 1.00 0.00 H new ATOM 0 HB VAL A 43 0.660 2.933 -11.491 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.511 2.366 -13.592 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.136 0.922 -12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.602 1.292 -12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.209 4.342 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.340 3.378 -11.300 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.075 4.345 -10.505 1.00 0.00 H new ATOM 620 N GLN A 44 1.599 0.777 -9.362 1.00 0.00 N ATOM 621 CA GLN A 44 2.663 -0.203 -9.221 1.00 0.00 C ATOM 622 C GLN A 44 2.251 -1.293 -8.229 1.00 0.00 C ATOM 623 O GLN A 44 2.089 -2.451 -8.607 1.00 0.00 O ATOM 624 CB GLN A 44 3.970 0.465 -8.791 1.00 0.00 C ATOM 625 CG GLN A 44 5.125 -0.539 -8.795 1.00 0.00 C ATOM 626 CD GLN A 44 6.339 0.026 -9.534 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.440 1.212 -9.802 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.254 -0.887 -9.848 1.00 0.00 N ATOM 0 H GLN A 44 1.726 1.627 -8.812 1.00 0.00 H new ATOM 0 HA GLN A 44 2.834 -0.668 -10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.199 1.291 -9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.855 0.889 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.401 -0.785 -7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.804 -1.466 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.108 -1.864 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.102 -0.610 -10.343 1.00 0.00 H new ATOM 637 N LEU A 45 2.096 -0.882 -6.979 1.00 0.00 N ATOM 638 CA LEU A 45 1.707 -1.809 -5.930 1.00 0.00 C ATOM 639 C LEU A 45 0.591 -2.720 -6.447 1.00 0.00 C ATOM 640 O LEU A 45 0.615 -3.928 -6.217 1.00 0.00 O ATOM 641 CB LEU A 45 1.339 -1.050 -4.654 1.00 0.00 C ATOM 642 CG LEU A 45 0.935 0.414 -4.837 1.00 0.00 C ATOM 643 CD1 LEU A 45 -0.178 0.802 -3.860 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.148 1.337 -4.719 1.00 0.00 C ATOM 0 H LEU A 45 2.233 0.080 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 45 2.545 -2.452 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.517 -1.575 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.190 -1.089 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 45 0.536 0.534 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.447 1.848 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.051 0.174 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.171 0.661 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.832 2.372 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.600 1.220 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.878 1.078 -5.486 1.00 0.00 H new ATOM 656 N LEU A 46 -0.359 -2.105 -7.135 1.00 0.00 N ATOM 657 CA LEU A 46 -1.481 -2.845 -7.686 1.00 0.00 C ATOM 658 C LEU A 46 -0.954 -4.002 -8.538 1.00 0.00 C ATOM 659 O LEU A 46 -1.480 -5.112 -8.476 1.00 0.00 O ATOM 660 CB LEU A 46 -2.423 -1.905 -8.442 1.00 0.00 C ATOM 661 CG LEU A 46 -3.309 -1.006 -7.577 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.446 -0.399 -8.401 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.828 -1.762 -6.352 1.00 0.00 C ATOM 0 H LEU A 46 -0.375 -1.103 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.078 -3.283 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.824 -1.271 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.067 -2.507 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.701 -0.179 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.060 0.235 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.029 0.198 -9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.060 -1.198 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.455 -1.100 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.414 -2.622 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.985 -2.104 -5.751 1.00 0.00 H new ATOM 675 N LEU A 47 0.077 -3.702 -9.313 1.00 0.00 N ATOM 676 CA LEU A 47 0.681 -4.703 -10.176 1.00 0.00 C ATOM 677 C LEU A 47 1.493 -5.681 -9.324 1.00 0.00 C ATOM 678 O LEU A 47 1.769 -6.801 -9.752 1.00 0.00 O ATOM 679 CB LEU A 47 1.494 -4.034 -11.287 1.00 0.00 C ATOM 680 CG LEU A 47 1.312 -4.612 -12.691 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.807 -6.057 -12.759 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.142 -4.482 -13.154 1.00 0.00 C ATOM 0 H LEU A 47 0.510 -2.780 -9.362 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.090 -5.284 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.233 -2.976 -11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.550 -4.095 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 47 1.923 -4.030 -13.381 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.666 -6.443 -13.769 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.866 -6.091 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.243 -6.668 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.244 -4.901 -14.155 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.792 -5.023 -12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.426 -3.430 -13.170 1.00 0.00 H new ATOM 694 N GLU A 48 1.852 -5.223 -8.134 1.00 0.00 N ATOM 695 CA GLU A 48 2.626 -6.044 -7.219 1.00 0.00 C ATOM 696 C GLU A 48 1.698 -6.789 -6.259 1.00 0.00 C ATOM 697 O GLU A 48 2.116 -7.736 -5.595 1.00 0.00 O ATOM 698 CB GLU A 48 3.644 -5.198 -6.452 1.00 0.00 C ATOM 699 CG GLU A 48 4.990 -5.918 -6.351 1.00 0.00 C ATOM 700 CD GLU A 48 5.622 -6.096 -7.733 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.260 -7.090 -8.399 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.454 -5.233 -8.092 1.00 0.00 O ATOM 0 H GLU A 48 1.621 -4.294 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 48 3.180 -6.780 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.777 -4.239 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.266 -4.985 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.663 -5.349 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.851 -6.892 -5.883 1.00 0.00 H new ATOM 709 N LEU A 49 0.454 -6.334 -6.216 1.00 0.00 N ATOM 710 CA LEU A 49 -0.537 -6.946 -5.349 1.00 0.00 C ATOM 711 C LEU A 49 -1.392 -7.919 -6.164 1.00 0.00 C ATOM 712 O LEU A 49 -2.146 -8.712 -5.601 1.00 0.00 O ATOM 713 CB LEU A 49 -1.352 -5.873 -4.624 1.00 0.00 C ATOM 714 CG LEU A 49 -0.710 -5.278 -3.368 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.723 -4.451 -2.575 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.066 -6.371 -2.513 1.00 0.00 C ATOM 0 H LEU A 49 0.110 -5.548 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.049 -7.527 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.553 -5.062 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.315 -6.301 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 49 0.086 -4.601 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.242 -4.040 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.094 -3.637 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.556 -5.087 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.383 -5.922 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.826 -7.091 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.705 -6.879 -3.092 1.00 0.00 H new ATOM 728 N GLN A 50 -1.245 -7.828 -7.477 1.00 0.00 N ATOM 729 CA GLN A 50 -1.992 -8.691 -8.376 1.00 0.00 C ATOM 730 C GLN A 50 -1.077 -9.766 -8.964 1.00 0.00 C ATOM 731 O GLN A 50 -1.383 -10.347 -10.005 1.00 0.00 O ATOM 732 CB GLN A 50 -2.665 -7.877 -9.483 1.00 0.00 C ATOM 733 CG GLN A 50 -3.764 -8.691 -10.172 1.00 0.00 C ATOM 734 CD GLN A 50 -3.578 -8.687 -11.690 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.582 -8.122 -12.356 1.00 0.00 O flip ATOM 736 NE2 GLN A 50 -2.590 -9.166 -12.222 1.00 0.00 N flip ATOM 0 H GLN A 50 -0.619 -7.169 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.778 -9.185 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.092 -6.967 -9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.920 -7.570 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.748 -9.716 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.740 -8.277 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.856 -9.585 -11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.498 -9.148 -13.238 1.00 0.00 H new ATOM 745 N SER A 51 0.029 -10.000 -8.273 1.00 0.00 N ATOM 746 CA SER A 51 0.990 -10.996 -8.714 1.00 0.00 C ATOM 747 C SER A 51 1.424 -11.865 -7.531 1.00 0.00 C ATOM 748 O SER A 51 1.225 -13.079 -7.542 1.00 0.00 O ATOM 749 CB SER A 51 2.209 -10.335 -9.361 1.00 0.00 C ATOM 750 OG SER A 51 2.521 -10.914 -10.627 1.00 0.00 O ATOM 0 H SER A 51 0.281 -9.517 -7.411 1.00 0.00 H new ATOM 0 HA SER A 51 0.510 -11.626 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.020 -9.269 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.068 -10.430 -8.697 1.00 0.00 H new ATOM 0 HG SER A 51 3.304 -10.464 -11.009 1.00 0.00 H new ATOM 756 N GLN A 52 2.008 -11.209 -6.539 1.00 0.00 N ATOM 757 CA GLN A 52 2.471 -11.907 -5.351 1.00 0.00 C ATOM 758 C GLN A 52 1.291 -12.237 -4.436 1.00 0.00 C ATOM 759 O GLN A 52 1.402 -13.093 -3.560 1.00 0.00 O ATOM 760 CB GLN A 52 3.528 -11.085 -4.610 1.00 0.00 C ATOM 761 CG GLN A 52 4.834 -11.024 -5.405 1.00 0.00 C ATOM 762 CD GLN A 52 5.773 -12.162 -5.003 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.572 -13.317 -5.341 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.808 -11.774 -4.264 1.00 0.00 N ATOM 0 H GLN A 52 2.171 -10.202 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 52 2.937 -12.842 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.155 -10.075 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.715 -11.525 -3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.618 -11.085 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.324 -10.066 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.918 -10.791 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.492 -12.460 -3.945 1.00 0.00 H new ATOM 773 N PHE A 53 0.188 -11.540 -4.670 1.00 0.00 N ATOM 774 CA PHE A 53 -1.011 -11.749 -3.877 1.00 0.00 C ATOM 775 C PHE A 53 -2.213 -12.057 -4.772 1.00 0.00 C ATOM 776 O PHE A 53 -3.032 -12.914 -4.444 1.00 0.00 O ATOM 777 CB PHE A 53 -1.277 -10.447 -3.117 1.00 0.00 C ATOM 778 CG PHE A 53 -0.018 -9.795 -2.541 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.924 -9.280 -3.376 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.157 -9.729 -1.194 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.092 -8.675 -2.840 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.325 -9.124 -0.659 1.00 0.00 C ATOM 783 CZ PHE A 53 2.267 -8.609 -1.494 1.00 0.00 C ATOM 0 H PHE A 53 0.100 -10.830 -5.397 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.868 -12.593 -3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.766 -9.740 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.974 -10.649 -2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.784 -9.331 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.592 -10.137 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.841 -8.267 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.465 -9.073 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.155 -8.147 -1.087 1.00 0.00 H new ATOM 793 N GLY A 54 -2.280 -11.342 -5.885 1.00 0.00 N ATOM 794 CA GLY A 54 -3.369 -11.529 -6.829 1.00 0.00 C ATOM 795 C GLY A 54 -4.626 -10.787 -6.372 1.00 0.00 C ATOM 796 O GLY A 54 -5.720 -11.348 -6.379 1.00 0.00 O ATOM 0 H GLY A 54 -1.598 -10.633 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.068 -11.169 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.587 -12.592 -6.932 1.00 0.00 H new ATOM 800 N VAL A 55 -4.427 -9.536 -5.983 1.00 0.00 N ATOM 801 CA VAL A 55 -5.531 -8.711 -5.523 1.00 0.00 C ATOM 802 C VAL A 55 -6.303 -8.176 -6.732 1.00 0.00 C ATOM 803 O VAL A 55 -5.712 -7.893 -7.773 1.00 0.00 O ATOM 804 CB VAL A 55 -5.009 -7.601 -4.609 1.00 0.00 C ATOM 805 CG1 VAL A 55 -6.157 -6.730 -4.093 1.00 0.00 C ATOM 806 CG2 VAL A 55 -4.199 -8.182 -3.448 1.00 0.00 C ATOM 0 H VAL A 55 -3.518 -9.074 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.227 -9.303 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.345 -6.968 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.758 -5.949 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.675 -6.273 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.857 -7.347 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.840 -7.372 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.831 -8.849 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.349 -8.740 -3.841 1.00 0.00 H new ATOM 816 N ASP A 56 -7.610 -8.057 -6.553 1.00 0.00 N ATOM 817 CA ASP A 56 -8.468 -7.562 -7.618 1.00 0.00 C ATOM 818 C ASP A 56 -8.995 -6.177 -7.238 1.00 0.00 C ATOM 819 O ASP A 56 -10.176 -5.887 -7.421 1.00 0.00 O ATOM 820 CB ASP A 56 -9.670 -8.484 -7.829 1.00 0.00 C ATOM 821 CG ASP A 56 -9.477 -9.565 -8.893 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.200 -9.179 -10.050 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.611 -10.752 -8.527 1.00 0.00 O ATOM 0 H ASP A 56 -8.096 -8.294 -5.688 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.880 -7.521 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.909 -8.967 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.532 -7.875 -8.103 1.00 0.00 H new ATOM 828 N ALA A 57 -8.093 -5.357 -6.719 1.00 0.00 N ATOM 829 CA ALA A 57 -8.452 -4.009 -6.313 1.00 0.00 C ATOM 830 C ALA A 57 -8.824 -3.190 -7.551 1.00 0.00 C ATOM 831 O ALA A 57 -8.412 -3.518 -8.663 1.00 0.00 O ATOM 832 CB ALA A 57 -7.295 -3.387 -5.529 1.00 0.00 C ATOM 0 H ALA A 57 -7.114 -5.600 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.321 -4.025 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.564 -2.376 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.089 -3.990 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.406 -3.352 -6.159 1.00 0.00 H new ATOM 838 N PRO A 58 -9.619 -2.115 -7.310 1.00 0.00 N ATOM 839 CA PRO A 58 -10.051 -1.247 -8.393 1.00 0.00 C ATOM 840 C PRO A 58 -8.910 -0.341 -8.859 1.00 0.00 C ATOM 841 O PRO A 58 -7.796 -0.425 -8.343 1.00 0.00 O ATOM 842 CB PRO A 58 -11.231 -0.471 -7.828 1.00 0.00 C ATOM 843 CG PRO A 58 -11.124 -0.592 -6.317 1.00 0.00 C ATOM 844 CD PRO A 58 -10.127 -1.697 -6.006 1.00 0.00 C ATOM 0 HA PRO A 58 -10.345 -1.802 -9.284 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.197 0.573 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.175 -0.880 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.796 0.352 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.097 -0.823 -5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.323 -1.336 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.604 -2.525 -5.483 1.00 0.00 H new ATOM 852 N VAL A 59 -9.225 0.504 -9.829 1.00 0.00 N ATOM 853 CA VAL A 59 -8.240 1.423 -10.371 1.00 0.00 C ATOM 854 C VAL A 59 -8.937 2.712 -10.809 1.00 0.00 C ATOM 855 O VAL A 59 -8.470 3.809 -10.506 1.00 0.00 O ATOM 856 CB VAL A 59 -7.463 0.751 -11.504 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.135 1.467 -11.761 1.00 0.00 C ATOM 858 CG2 VAL A 59 -7.236 -0.733 -11.208 1.00 0.00 C ATOM 0 H VAL A 59 -10.150 0.571 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.509 1.691 -9.608 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.064 0.825 -12.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.604 0.968 -12.571 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.328 2.503 -12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.526 1.440 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.681 -1.187 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.667 -0.837 -10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.198 -1.234 -11.099 1.00 0.00 H new ATOM 868 N SER A 60 -10.045 2.538 -11.513 1.00 0.00 N ATOM 869 CA SER A 60 -10.813 3.674 -11.995 1.00 0.00 C ATOM 870 C SER A 60 -10.805 4.792 -10.951 1.00 0.00 C ATOM 871 O SER A 60 -10.376 5.909 -11.236 1.00 0.00 O ATOM 872 CB SER A 60 -12.250 3.268 -12.327 1.00 0.00 C ATOM 873 OG SER A 60 -12.546 3.431 -13.711 1.00 0.00 O ATOM 0 H SER A 60 -10.430 1.627 -11.762 1.00 0.00 H new ATOM 0 HA SER A 60 -10.347 4.037 -12.911 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.407 2.227 -12.043 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.942 3.868 -11.736 1.00 0.00 H new ATOM 0 HG SER A 60 -13.472 3.159 -13.882 1.00 0.00 H new ATOM 879 N GLU A 61 -11.284 4.452 -9.763 1.00 0.00 N ATOM 880 CA GLU A 61 -11.336 5.414 -8.675 1.00 0.00 C ATOM 881 C GLU A 61 -11.137 4.707 -7.333 1.00 0.00 C ATOM 882 O GLU A 61 -11.887 4.941 -6.387 1.00 0.00 O ATOM 883 CB GLU A 61 -12.654 6.191 -8.694 1.00 0.00 C ATOM 884 CG GLU A 61 -12.406 7.694 -8.551 1.00 0.00 C ATOM 885 CD GLU A 61 -11.522 8.214 -9.686 1.00 0.00 C ATOM 886 OE1 GLU A 61 -12.061 8.363 -10.804 1.00 0.00 O ATOM 887 OE2 GLU A 61 -10.326 8.452 -9.410 1.00 0.00 O ATOM 0 H GLU A 61 -11.639 3.525 -9.530 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.526 6.131 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.184 5.993 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.296 5.846 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.358 8.225 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.930 7.898 -7.592 1.00 0.00 H new ATOM 894 N PHE A 62 -10.121 3.857 -7.293 1.00 0.00 N ATOM 895 CA PHE A 62 -9.813 3.115 -6.082 1.00 0.00 C ATOM 896 C PHE A 62 -9.887 4.020 -4.851 1.00 0.00 C ATOM 897 O PHE A 62 -9.580 5.208 -4.930 1.00 0.00 O ATOM 898 CB PHE A 62 -8.383 2.591 -6.230 1.00 0.00 C ATOM 899 CG PHE A 62 -7.333 3.690 -6.405 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.052 4.533 -5.375 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.681 3.826 -7.591 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.076 5.553 -5.537 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.707 4.846 -7.754 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.426 5.688 -6.723 1.00 0.00 C ATOM 0 H PHE A 62 -9.501 3.666 -8.080 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.531 2.306 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.131 1.999 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.339 1.921 -7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.571 4.427 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.904 3.158 -8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.851 6.220 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.189 4.953 -8.696 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.686 6.464 -6.847 1.00 0.00 H new ATOM 914 N ASP A 63 -10.298 3.423 -3.742 1.00 0.00 N ATOM 915 CA ASP A 63 -10.417 4.160 -2.495 1.00 0.00 C ATOM 916 C ASP A 63 -9.028 4.614 -2.042 1.00 0.00 C ATOM 917 O ASP A 63 -8.390 3.951 -1.224 1.00 0.00 O ATOM 918 CB ASP A 63 -11.012 3.284 -1.390 1.00 0.00 C ATOM 919 CG ASP A 63 -12.470 3.584 -1.043 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.747 4.759 -0.718 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.277 2.631 -1.109 1.00 0.00 O ATOM 0 H ASP A 63 -10.553 2.437 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.072 5.013 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.934 2.240 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.408 3.401 -0.490 1.00 0.00 H new ATOM 926 N ARG A 64 -8.599 5.741 -2.591 1.00 0.00 N ATOM 927 CA ARG A 64 -7.297 6.291 -2.254 1.00 0.00 C ATOM 928 C ARG A 64 -7.103 6.301 -0.736 1.00 0.00 C ATOM 929 O ARG A 64 -5.986 6.136 -0.248 1.00 0.00 O ATOM 930 CB ARG A 64 -7.146 7.716 -2.789 1.00 0.00 C ATOM 931 CG ARG A 64 -8.428 8.523 -2.572 1.00 0.00 C ATOM 932 CD ARG A 64 -8.167 9.733 -1.671 1.00 0.00 C ATOM 933 NE ARG A 64 -9.319 9.946 -0.766 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.440 10.590 -1.115 1.00 0.00 C ATOM 935 NH1 ARG A 64 -10.569 11.088 -2.353 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.433 10.736 -0.227 1.00 0.00 N ATOM 0 H ARG A 64 -9.131 6.289 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.540 5.659 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.313 8.209 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.907 7.686 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.819 8.858 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.191 7.887 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.260 9.574 -1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.003 10.622 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.255 9.579 0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.813 10.976 -3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.423 11.579 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.335 10.357 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.287 11.227 -0.493 1.00 0.00 H new ATOM 950 N LYS A 65 -8.208 6.495 -0.031 1.00 0.00 N ATOM 951 CA LYS A 65 -8.172 6.529 1.421 1.00 0.00 C ATOM 952 C LYS A 65 -7.648 5.191 1.945 1.00 0.00 C ATOM 953 O LYS A 65 -6.971 5.144 2.970 1.00 0.00 O ATOM 954 CB LYS A 65 -9.543 6.915 1.982 1.00 0.00 C ATOM 955 CG LYS A 65 -9.738 6.352 3.391 1.00 0.00 C ATOM 956 CD LYS A 65 -10.518 7.332 4.270 1.00 0.00 C ATOM 957 CE LYS A 65 -9.591 8.395 4.863 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.261 9.103 5.976 1.00 0.00 N ATOM 0 H LYS A 65 -9.133 6.630 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.483 7.299 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.638 8.001 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.327 6.540 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.271 5.403 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.767 6.147 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.298 7.813 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.015 6.789 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.674 7.927 5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.304 9.108 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.619 9.821 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.124 9.565 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.512 8.421 6.720 1.00 0.00 H new ATOM 972 N GLU A 66 -7.983 4.135 1.218 1.00 0.00 N ATOM 973 CA GLU A 66 -7.556 2.799 1.597 1.00 0.00 C ATOM 974 C GLU A 66 -6.151 2.519 1.059 1.00 0.00 C ATOM 975 O GLU A 66 -5.416 1.710 1.623 1.00 0.00 O ATOM 976 CB GLU A 66 -8.550 1.745 1.107 1.00 0.00 C ATOM 977 CG GLU A 66 -8.069 0.334 1.453 1.00 0.00 C ATOM 978 CD GLU A 66 -9.254 -0.612 1.664 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.156 -0.592 0.799 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.229 -1.333 2.684 1.00 0.00 O ATOM 0 H GLU A 66 -8.545 4.178 0.368 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.526 2.744 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.526 1.922 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.678 1.835 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.435 -0.045 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.458 0.365 2.355 1.00 0.00 H new ATOM 987 N TRP A 67 -5.820 3.204 -0.026 1.00 0.00 N ATOM 988 CA TRP A 67 -4.517 3.040 -0.647 1.00 0.00 C ATOM 989 C TRP A 67 -3.651 4.239 -0.253 1.00 0.00 C ATOM 990 O TRP A 67 -2.647 4.523 -0.903 1.00 0.00 O ATOM 991 CB TRP A 67 -4.648 2.869 -2.161 1.00 0.00 C ATOM 992 CG TRP A 67 -5.685 1.826 -2.583 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.950 2.033 -2.974 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.493 0.397 -2.639 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.586 0.846 -3.277 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.671 -0.180 -3.067 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.362 -0.381 -2.339 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.832 -1.561 -3.234 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.539 -1.760 -2.510 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.718 -2.357 -2.941 1.00 0.00 C ATOM 0 H TRP A 67 -6.432 3.874 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.033 2.130 -0.293 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.913 3.829 -2.603 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.678 2.587 -2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.413 3.006 -3.043 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.549 0.741 -3.596 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.430 0.050 -2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.765 -1.989 -3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.700 -2.405 -2.292 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.775 -3.430 -3.049 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.071 4.907 0.810 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.347 6.069 1.299 1.00 0.00 C ATOM 1013 C ASP A 68 -2.422 5.645 2.440 1.00 0.00 C ATOM 1014 O ASP A 68 -1.354 6.225 2.627 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.308 7.131 1.839 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.712 8.067 2.891 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.603 8.582 2.630 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.377 8.246 3.935 1.00 0.00 O ATOM 0 H ASP A 68 -4.904 4.666 1.347 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.779 6.486 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.669 7.731 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.175 6.630 2.270 1.00 0.00 H new ATOM 1023 N THR A 69 -2.864 4.634 3.173 1.00 0.00 N ATOM 1024 CA THR A 69 -2.089 4.125 4.292 1.00 0.00 C ATOM 1025 C THR A 69 -1.624 2.694 4.011 1.00 0.00 C ATOM 1026 O THR A 69 -2.180 2.015 3.149 1.00 0.00 O ATOM 1027 CB THR A 69 -2.942 4.249 5.555 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.281 4.146 5.081 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.872 5.647 6.174 1.00 0.00 C ATOM 0 H THR A 69 -3.749 4.153 3.014 1.00 0.00 H new ATOM 0 HA THR A 69 -1.179 4.707 4.439 1.00 0.00 H new ATOM 0 HB THR A 69 -2.615 3.511 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.894 4.523 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.495 5.681 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.840 5.875 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.230 6.382 5.454 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.582 2.268 4.775 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.037 0.930 4.617 1.00 0.00 C ATOM 1039 C PRO A 70 -0.965 -0.117 5.236 1.00 0.00 C ATOM 1040 O PRO A 70 -1.127 -1.209 4.692 1.00 0.00 O ATOM 1041 CB PRO A 70 1.328 0.980 5.282 1.00 0.00 C ATOM 1042 CG PRO A 70 1.304 2.200 6.189 1.00 0.00 C ATOM 1043 CD PRO A 70 0.101 3.044 5.805 1.00 0.00 C ATOM 0 HA PRO A 70 0.054 0.634 3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.518 0.072 5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.122 1.061 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.240 1.897 7.234 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.224 2.775 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.548 3.222 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.406 4.020 5.428 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.551 0.252 6.365 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.459 -0.642 7.064 1.00 0.00 C ATOM 1053 C ASN A 71 -3.688 -0.898 6.190 1.00 0.00 C ATOM 1054 O ASN A 71 -3.995 -2.045 5.865 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.936 -0.024 8.381 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.403 -0.810 9.579 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -1.955 -1.940 9.465 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.474 -0.152 10.734 1.00 0.00 N ATOM 0 H ASN A 71 -1.415 1.158 6.814 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.925 -1.569 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.602 1.012 8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.026 -0.009 8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.142 -0.592 11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.860 0.792 10.760 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.360 0.187 5.835 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.549 0.093 5.006 1.00 0.00 C ATOM 1067 C LYS A 72 -5.249 -0.783 3.789 1.00 0.00 C ATOM 1068 O LYS A 72 -6.138 -1.457 3.270 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.063 1.489 4.646 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.320 1.834 5.448 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.613 3.335 5.388 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.445 3.982 6.763 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.396 3.392 7.733 1.00 0.00 N ATOM 0 H LYS A 72 -4.103 1.136 6.107 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.358 -0.389 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.287 2.228 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.283 1.535 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.171 1.278 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.190 1.526 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.942 3.812 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.629 3.497 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.423 3.842 7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.612 5.057 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.661 4.108 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.247 3.068 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.948 2.584 8.211 1.00 0.00 H new ATOM 1087 N ILE A 73 -3.993 -0.748 3.369 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.565 -1.531 2.223 1.00 0.00 C ATOM 1089 C ILE A 73 -3.296 -2.970 2.666 1.00 0.00 C ATOM 1090 O ILE A 73 -3.788 -3.915 2.051 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.369 -0.866 1.535 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.806 0.379 0.761 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.625 -1.863 0.646 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.619 1.020 0.039 1.00 0.00 C ATOM 0 H ILE A 73 -3.258 -0.189 3.802 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.354 -1.570 1.472 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.670 -0.538 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.575 0.110 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.252 1.100 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.780 -1.366 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.262 -2.692 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.301 -2.243 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.957 1.903 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.863 1.310 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.191 0.305 -0.663 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.515 -3.093 3.730 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.175 -4.400 4.262 1.00 0.00 C ATOM 1108 C ILE A 74 -3.458 -5.200 4.499 1.00 0.00 C ATOM 1109 O ILE A 74 -3.432 -6.429 4.533 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.299 -4.261 5.509 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.185 -4.246 5.138 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.624 -5.351 6.532 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.048 -3.873 6.345 1.00 0.00 C ATOM 0 H ILE A 74 -2.108 -2.307 4.238 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.578 -4.959 3.542 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.523 -3.303 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.480 -5.227 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.355 -3.533 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.987 -5.229 7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.670 -5.271 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.447 -6.331 6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.098 -3.870 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.767 -2.882 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.894 -4.601 7.141 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.552 -4.469 4.656 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.844 -5.093 4.888 1.00 0.00 C ATOM 1127 C ALA A 75 -6.465 -5.484 3.546 1.00 0.00 C ATOM 1128 O ALA A 75 -7.243 -6.435 3.471 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.735 -4.141 5.689 1.00 0.00 C ATOM 0 H ALA A 75 -4.570 -3.450 4.627 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.730 -6.004 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.704 -4.609 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.262 -3.919 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.874 -3.216 5.130 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.099 -4.731 2.519 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.611 -4.986 1.184 1.00 0.00 C ATOM 1137 C LYS A 76 -5.926 -6.228 0.608 1.00 0.00 C ATOM 1138 O LYS A 76 -6.451 -6.865 -0.303 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.465 -3.741 0.307 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.714 -2.861 0.391 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.948 -3.612 -0.113 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.864 -2.685 -0.915 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.230 -3.308 -2.206 1.00 0.00 N ATOM 0 H LYS A 76 -5.454 -3.944 2.585 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.679 -5.198 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.592 -3.170 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.294 -4.039 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.872 -2.545 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.567 -1.957 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.638 -4.451 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.496 -4.028 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.765 -2.468 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.363 -1.734 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.852 -2.666 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.369 -3.493 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.727 -4.204 -2.030 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.762 -6.532 1.163 1.00 0.00 N ATOM 1158 CA VAL A 77 -3.999 -7.685 0.717 1.00 0.00 C ATOM 1159 C VAL A 77 -4.557 -8.947 1.376 1.00 0.00 C ATOM 1160 O VAL A 77 -4.652 -9.995 0.739 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.511 -7.471 1.001 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.991 -8.498 2.010 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -1.694 -7.510 -0.291 1.00 0.00 C ATOM 0 H VAL A 77 -4.329 -6.000 1.918 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.095 -7.811 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.394 -6.481 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.931 -8.323 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.542 -8.401 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.129 -9.503 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.640 -7.355 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.821 -8.479 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.038 -6.723 -0.963 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.913 -8.806 2.645 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.460 -9.922 3.398 1.00 0.00 C ATOM 1175 C GLU A 78 -6.923 -10.153 3.018 1.00 0.00 C ATOM 1176 O GLU A 78 -7.438 -11.260 3.159 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.314 -9.692 4.903 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.842 -9.704 5.320 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.513 -10.956 6.134 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.150 -11.128 7.196 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.631 -11.715 5.676 1.00 0.00 O ATOM 0 H GLU A 78 -4.833 -7.935 3.171 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.894 -10.818 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.764 -8.737 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.856 -10.466 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.209 -9.666 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.620 -8.814 5.909 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.552 -9.089 2.540 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.947 -9.160 2.139 1.00 0.00 C ATOM 1190 C GLN A 79 -9.054 -9.533 0.659 1.00 0.00 C ATOM 1191 O GLN A 79 -10.082 -9.293 0.027 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.670 -7.844 2.426 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.177 -7.985 2.203 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.956 -7.607 3.464 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.340 -8.446 4.261 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -12.166 -6.301 3.599 1.00 0.00 N ATOM 0 H GLN A 79 -7.121 -8.172 2.421 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.434 -9.938 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.478 -7.537 3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.275 -7.060 1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.487 -7.347 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.412 -9.011 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.817 -5.653 2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.677 -5.948 4.408 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.977 -10.114 0.148 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.937 -10.521 -1.246 1.00 0.00 C ATOM 1207 C ALA A 80 -7.613 -12.014 -1.327 1.00 0.00 C ATOM 1208 O ALA A 80 -8.269 -12.758 -2.054 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.921 -9.661 -2.000 1.00 0.00 C ATOM 0 H ALA A 80 -7.126 -10.312 0.675 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.907 -10.368 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.891 -9.966 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.213 -8.613 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.934 -9.790 -1.556 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.599 -12.409 -0.570 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.179 -13.800 -0.548 1.00 0.00 C ATOM 1217 C GLN A 81 -7.389 -14.717 -0.358 1.00 0.00 C ATOM 1218 O GLN A 81 -8.152 -14.556 0.593 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.134 -14.039 0.544 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.906 -13.150 0.332 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.510 -13.107 -1.144 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -4.149 -12.179 -1.850 1.00 0.00 O flip ATOM 1223 NE2 GLN A 81 -2.676 -13.866 -1.612 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.056 -11.790 0.032 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.716 -14.035 -1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.571 -13.835 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.834 -15.087 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.118 -12.141 0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.073 -13.527 0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.222 -14.556 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.433 -13.810 -2.601 1.00 0.00 H new TER 1232 GLN A 81