USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -112:sc= 0.441 USER MOD Set 1.2: A 36 CYS SG : rot 69:sc= -0.581 USER MOD Set 1.3: A 56 CYS SG : rot -142:sc= -0.214 USER MOD Set 2.1: A 6 CYS SG : rot -131:sc= 2.33 USER MOD Set 2.2: A 9 CYS SG : rot 129:sc= 1.93 USER MOD Set 2.3: A 11 GLN : amide:sc= 1.16 K(o=4.3,f=2.6) USER MOD Set 2.4: A 27 HIS : no HD1:sc= -0.32 K(o=4.3,f=2.6) USER MOD Set 2.5: A 30 CYS SG : rot 141:sc= -0.806! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.881! C(o=-0.88!,f=-1.3!) USER MOD Single : A 12 ASN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.066 F(o=-0.85,f=-0.066) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.0687 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.12) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.164 K(o=0.16,f=-2.4!) USER MOD Single : A 103 THR OG1 : rot 173:sc= -1.21 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.015 -7.604 -8.521 1.00 0.00 N ATOM 22 CA LEU A 3 -14.662 -6.359 -9.185 1.00 0.00 C ATOM 23 C LEU A 3 -13.150 -6.194 -9.221 1.00 0.00 C ATOM 24 O LEU A 3 -12.529 -6.281 -10.280 1.00 0.00 O ATOM 25 CB LEU A 3 -15.313 -5.159 -8.486 1.00 0.00 C ATOM 26 CG LEU A 3 -16.744 -5.384 -7.987 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.200 -4.213 -7.129 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.698 -5.587 -9.156 1.00 0.00 C ATOM 0 HA LEU A 3 -15.038 -6.399 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.691 -4.874 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.316 -4.316 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.753 -6.287 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.218 -4.390 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.537 -4.112 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.171 -3.297 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.708 -5.745 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.684 -4.704 -9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.386 -6.458 -9.733 1.00 0.00 H new ATOM 40 N LEU A 4 -12.557 -6.023 -8.052 1.00 0.00 N ATOM 41 CA LEU A 4 -11.115 -5.888 -7.937 1.00 0.00 C ATOM 42 C LEU A 4 -10.492 -7.179 -7.431 1.00 0.00 C ATOM 43 O LEU A 4 -11.155 -7.991 -6.781 1.00 0.00 O ATOM 44 CB LEU A 4 -10.754 -4.746 -6.985 1.00 0.00 C ATOM 45 CG LEU A 4 -11.602 -3.483 -7.124 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.048 -2.991 -5.755 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.820 -2.407 -7.855 1.00 0.00 C ATOM 0 H LEU A 4 -13.056 -5.974 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.722 -5.666 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.839 -5.109 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.709 -4.480 -7.143 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.492 -3.718 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.651 -2.091 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.640 -3.764 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.172 -2.765 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.434 -1.511 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.916 -2.170 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.548 -2.766 -8.848 1.00 0.00 H new ATOM 59 N THR A 5 -9.210 -7.343 -7.690 1.00 0.00 N ATOM 60 CA THR A 5 -8.478 -8.507 -7.235 1.00 0.00 C ATOM 61 C THR A 5 -7.132 -8.097 -6.653 1.00 0.00 C ATOM 62 O THR A 5 -6.446 -7.240 -7.206 1.00 0.00 O ATOM 63 CB THR A 5 -8.263 -9.505 -8.380 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.761 -8.955 -9.609 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.982 -10.803 -8.087 1.00 0.00 C ATOM 0 H THR A 5 -8.649 -6.676 -8.220 1.00 0.00 H new ATOM 0 HA THR A 5 -9.071 -8.990 -6.459 1.00 0.00 H new ATOM 0 HB THR A 5 -7.195 -9.700 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.619 -9.597 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.821 -11.502 -8.908 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.595 -11.233 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.049 -10.611 -7.978 1.00 0.00 H new ATOM 73 N CYS A 6 -6.795 -8.671 -5.506 1.00 0.00 N ATOM 74 CA CYS A 6 -5.566 -8.329 -4.806 1.00 0.00 C ATOM 75 C CYS A 6 -4.405 -9.144 -5.360 1.00 0.00 C ATOM 76 O CYS A 6 -4.569 -10.318 -5.700 1.00 0.00 O ATOM 77 CB CYS A 6 -5.754 -8.545 -3.295 1.00 0.00 C ATOM 78 SG CYS A 6 -4.310 -9.190 -2.379 1.00 0.00 S ATOM 0 H CYS A 6 -7.360 -9.380 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.330 -7.277 -4.965 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.045 -7.595 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.586 -9.234 -3.150 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.678 -10.195 -1.641 1.00 0.00 H new ATOM 83 N GLY A 7 -3.276 -8.477 -5.553 1.00 0.00 N ATOM 84 CA GLY A 7 -2.125 -9.107 -6.171 1.00 0.00 C ATOM 85 C GLY A 7 -1.505 -10.187 -5.304 1.00 0.00 C ATOM 86 O GLY A 7 -0.705 -10.992 -5.784 1.00 0.00 O ATOM 0 H GLY A 7 -3.135 -7.502 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.424 -9.541 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.374 -8.347 -6.388 1.00 0.00 H new ATOM 90 N GLY A 8 -1.878 -10.220 -4.033 1.00 0.00 N ATOM 91 CA GLY A 8 -1.355 -11.230 -3.141 1.00 0.00 C ATOM 92 C GLY A 8 -2.298 -12.404 -2.990 1.00 0.00 C ATOM 93 O GLY A 8 -1.867 -13.531 -2.751 1.00 0.00 O ATOM 0 H GLY A 8 -2.533 -9.565 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.395 -11.583 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.170 -10.787 -2.162 1.00 0.00 H new ATOM 97 N CYS A 9 -3.593 -12.131 -3.067 1.00 0.00 N ATOM 98 CA CYS A 9 -4.597 -13.161 -2.863 1.00 0.00 C ATOM 99 C CYS A 9 -5.073 -13.776 -4.170 1.00 0.00 C ATOM 100 O CYS A 9 -5.228 -14.992 -4.261 1.00 0.00 O ATOM 101 CB CYS A 9 -5.797 -12.578 -2.127 1.00 0.00 C ATOM 102 SG CYS A 9 -5.465 -12.150 -0.396 1.00 0.00 S ATOM 0 H CYS A 9 -3.971 -11.205 -3.269 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.128 -13.948 -2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.134 -11.685 -2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.616 -13.297 -2.162 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.855 -10.931 -0.168 1.00 0.00 H new ATOM 107 N GLN A 10 -5.491 -12.909 -5.091 1.00 0.00 N ATOM 108 CA GLN A 10 -6.148 -13.330 -6.329 1.00 0.00 C ATOM 109 C GLN A 10 -7.526 -13.925 -6.026 1.00 0.00 C ATOM 110 O GLN A 10 -8.151 -14.550 -6.881 1.00 0.00 O ATOM 111 CB GLN A 10 -5.286 -14.335 -7.105 1.00 0.00 C ATOM 112 CG GLN A 10 -5.234 -14.066 -8.601 1.00 0.00 C ATOM 113 CD GLN A 10 -5.291 -12.588 -8.934 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.316 -12.080 -9.386 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.193 -11.887 -8.710 1.00 0.00 N ATOM 0 H GLN A 10 -5.385 -11.899 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.277 -12.448 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.272 -14.316 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.675 -15.339 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.318 -14.491 -9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.066 -14.576 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.363 -12.346 -8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.176 -10.888 -8.913 1.00 0.00 H new ATOM 124 N GLN A 11 -7.992 -13.716 -4.797 1.00 0.00 N ATOM 125 CA GLN A 11 -9.279 -14.240 -4.356 1.00 0.00 C ATOM 126 C GLN A 11 -10.357 -13.160 -4.427 1.00 0.00 C ATOM 127 O GLN A 11 -11.457 -13.333 -3.907 1.00 0.00 O ATOM 128 CB GLN A 11 -9.161 -14.778 -2.923 1.00 0.00 C ATOM 129 CG GLN A 11 -9.032 -13.691 -1.865 1.00 0.00 C ATOM 130 CD GLN A 11 -8.916 -14.248 -0.459 1.00 0.00 C ATOM 131 OE1 GLN A 11 -9.740 -15.051 -0.023 1.00 0.00 O ATOM 132 NE2 GLN A 11 -7.887 -13.829 0.258 1.00 0.00 N ATOM 0 H GLN A 11 -7.492 -13.183 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.568 -15.054 -5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.038 -15.386 -2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.294 -15.435 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.155 -13.081 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.899 -13.033 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.226 -13.162 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.755 -14.173 1.209 1.00 0.00 H new ATOM 141 N ASN A 12 -10.010 -12.044 -5.071 1.00 0.00 N ATOM 142 CA ASN A 12 -10.912 -10.898 -5.232 1.00 0.00 C ATOM 143 C ASN A 12 -11.109 -10.154 -3.912 1.00 0.00 C ATOM 144 O ASN A 12 -11.308 -10.754 -2.857 1.00 0.00 O ATOM 145 CB ASN A 12 -12.261 -11.335 -5.826 1.00 0.00 C ATOM 146 CG ASN A 12 -13.429 -10.463 -5.392 1.00 0.00 C ATOM 147 OD1 ASN A 12 -14.253 -10.874 -4.577 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.516 -9.258 -5.936 1.00 0.00 N ATOM 0 H ASN A 12 -9.093 -11.907 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.444 -10.207 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.192 -11.320 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.460 -12.366 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.285 -8.638 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.814 -8.950 -6.609 1.00 0.00 H new ATOM 155 N ILE A 13 -11.026 -8.837 -3.987 1.00 0.00 N ATOM 156 CA ILE A 13 -11.207 -7.987 -2.824 1.00 0.00 C ATOM 157 C ILE A 13 -12.687 -7.714 -2.593 1.00 0.00 C ATOM 158 O ILE A 13 -13.291 -6.892 -3.282 1.00 0.00 O ATOM 159 CB ILE A 13 -10.455 -6.657 -3.001 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.014 -6.931 -3.427 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.491 -5.837 -1.721 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.415 -5.851 -4.296 1.00 0.00 C ATOM 0 H ILE A 13 -10.832 -8.330 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.800 -8.507 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.950 -6.077 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.398 -7.049 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.979 -7.878 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.952 -4.902 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.526 -5.621 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.020 -6.400 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.391 -6.119 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.005 -5.747 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.416 -4.906 -3.754 1.00 0.00 H new ATOM 174 N GLY A 14 -13.276 -8.449 -1.667 1.00 0.00 N ATOM 175 CA GLY A 14 -14.694 -8.308 -1.395 1.00 0.00 C ATOM 176 C GLY A 14 -14.955 -7.538 -0.120 1.00 0.00 C ATOM 177 O GLY A 14 -16.089 -7.481 0.360 1.00 0.00 O ATOM 0 H GLY A 14 -12.798 -9.145 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.174 -7.798 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.148 -9.296 -1.321 1.00 0.00 H new ATOM 181 N ASP A 15 -13.900 -6.960 0.436 1.00 0.00 N ATOM 182 CA ASP A 15 -14.003 -6.202 1.680 1.00 0.00 C ATOM 183 C ASP A 15 -14.624 -4.835 1.438 1.00 0.00 C ATOM 184 O ASP A 15 -15.025 -4.506 0.321 1.00 0.00 O ATOM 185 CB ASP A 15 -12.627 -6.027 2.330 1.00 0.00 C ATOM 186 CG ASP A 15 -12.132 -7.299 2.981 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.776 -7.767 3.945 1.00 0.00 O ATOM 188 OD2 ASP A 15 -11.104 -7.843 2.527 1.00 0.00 O ATOM 0 H ASP A 15 -12.959 -7.000 0.046 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.646 -6.769 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.910 -5.705 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.679 -5.236 3.078 1.00 0.00 H new ATOM 193 N ARG A 16 -14.705 -4.043 2.495 1.00 0.00 N ATOM 194 CA ARG A 16 -15.295 -2.716 2.407 1.00 0.00 C ATOM 195 C ARG A 16 -14.243 -1.667 2.065 1.00 0.00 C ATOM 196 O ARG A 16 -14.559 -0.641 1.468 1.00 0.00 O ATOM 197 CB ARG A 16 -15.999 -2.337 3.716 1.00 0.00 C ATOM 198 CG ARG A 16 -15.487 -3.086 4.935 1.00 0.00 C ATOM 199 CD ARG A 16 -14.950 -2.139 5.998 1.00 0.00 C ATOM 200 NE ARG A 16 -14.381 -2.866 7.128 1.00 0.00 N ATOM 201 CZ ARG A 16 -13.342 -2.444 7.850 1.00 0.00 C ATOM 202 NH1 ARG A 16 -12.791 -1.257 7.611 1.00 0.00 N ATOM 203 NH2 ARG A 16 -12.863 -3.207 8.826 1.00 0.00 N ATOM 0 H ARG A 16 -14.370 -4.296 3.425 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.034 -2.743 1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.879 -1.267 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.067 -2.525 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.293 -3.686 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.700 -3.777 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.189 -1.493 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.754 -1.492 6.349 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.807 -3.757 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.163 -0.662 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.997 -0.942 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.290 -4.113 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.069 -2.887 9.380 1.00 0.00 H new ATOM 217 N TYR A 17 -12.995 -1.921 2.445 1.00 0.00 N ATOM 218 CA TYR A 17 -11.929 -0.957 2.215 1.00 0.00 C ATOM 219 C TYR A 17 -10.663 -1.694 1.782 1.00 0.00 C ATOM 220 O TYR A 17 -10.459 -2.844 2.172 1.00 0.00 O ATOM 221 CB TYR A 17 -11.676 -0.166 3.504 1.00 0.00 C ATOM 222 CG TYR A 17 -11.541 1.323 3.286 1.00 0.00 C ATOM 223 CD1 TYR A 17 -12.608 2.055 2.784 1.00 0.00 C ATOM 224 CD2 TYR A 17 -10.365 1.998 3.580 1.00 0.00 C ATOM 225 CE1 TYR A 17 -12.512 3.416 2.581 1.00 0.00 C ATOM 226 CE2 TYR A 17 -10.262 3.364 3.379 1.00 0.00 C ATOM 227 CZ TYR A 17 -11.338 4.066 2.877 1.00 0.00 C ATOM 228 OH TYR A 17 -11.241 5.426 2.673 1.00 0.00 O ATOM 0 H TYR A 17 -12.700 -2.780 2.910 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.217 -0.263 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.495 -0.350 4.199 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.767 -0.539 3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.532 1.549 2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.519 1.451 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.355 3.968 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.342 3.878 3.615 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.347 5.733 2.933 1.00 0.00 H new ATOM 238 N PHE A 18 -9.850 -1.066 0.935 1.00 0.00 N ATOM 239 CA PHE A 18 -8.642 -1.714 0.424 1.00 0.00 C ATOM 240 C PHE A 18 -7.586 -0.694 -0.004 1.00 0.00 C ATOM 241 O PHE A 18 -7.750 0.512 0.191 1.00 0.00 O ATOM 242 CB PHE A 18 -8.989 -2.657 -0.743 1.00 0.00 C ATOM 243 CG PHE A 18 -9.148 -1.986 -2.085 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.077 -0.975 -2.277 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.373 -2.385 -3.160 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.222 -0.375 -3.511 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.516 -1.790 -4.396 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.443 -0.784 -4.573 1.00 0.00 C ATOM 0 H PHE A 18 -10.003 -0.118 0.590 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.216 -2.302 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.208 -3.413 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.915 -3.180 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.694 -0.653 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.646 -3.173 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.946 0.415 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.903 -2.112 -5.225 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.558 -0.318 -5.540 1.00 0.00 H new ATOM 258 N LEU A 19 -6.493 -1.197 -0.564 1.00 0.00 N ATOM 259 CA LEU A 19 -5.389 -0.366 -1.004 1.00 0.00 C ATOM 260 C LEU A 19 -4.967 -0.763 -2.412 1.00 0.00 C ATOM 261 O LEU A 19 -4.996 -1.936 -2.756 1.00 0.00 O ATOM 262 CB LEU A 19 -4.207 -0.540 -0.053 1.00 0.00 C ATOM 263 CG LEU A 19 -4.214 0.365 1.178 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.459 -0.294 2.323 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.606 1.717 0.850 1.00 0.00 C ATOM 0 H LEU A 19 -6.351 -2.194 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.708 0.676 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.181 -1.577 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.287 -0.361 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.248 0.520 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.472 0.362 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.936 -1.241 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.427 -0.476 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.620 2.348 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.577 1.582 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.184 2.193 0.058 1.00 0.00 H new ATOM 277 N LYS A 20 -4.563 0.205 -3.217 1.00 0.00 N ATOM 278 CA LYS A 20 -4.084 -0.075 -4.567 1.00 0.00 C ATOM 279 C LYS A 20 -3.259 1.111 -5.071 1.00 0.00 C ATOM 280 O LYS A 20 -3.538 2.247 -4.680 1.00 0.00 O ATOM 281 CB LYS A 20 -5.276 -0.376 -5.502 1.00 0.00 C ATOM 282 CG LYS A 20 -5.461 0.608 -6.654 1.00 0.00 C ATOM 283 CD LYS A 20 -6.529 1.647 -6.345 1.00 0.00 C ATOM 284 CE LYS A 20 -7.877 1.255 -6.930 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.077 1.792 -8.302 1.00 0.00 N ATOM 0 H LYS A 20 -4.556 1.193 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.443 -0.957 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.149 -1.376 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.189 -0.391 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.515 1.109 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.735 0.063 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.621 1.765 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.224 2.613 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.958 0.168 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.672 1.620 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.009 1.498 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.027 2.831 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.335 1.423 -8.931 1.00 0.00 H new ATOM 299 N ALA A 21 -2.255 0.861 -5.927 1.00 0.00 N ATOM 300 CA ALA A 21 -1.428 1.947 -6.477 1.00 0.00 C ATOM 301 C ALA A 21 -0.327 1.420 -7.389 1.00 0.00 C ATOM 302 O ALA A 21 -0.117 1.948 -8.481 1.00 0.00 O ATOM 303 CB ALA A 21 -0.798 2.774 -5.364 1.00 0.00 C ATOM 0 H ALA A 21 -1.998 -0.072 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.096 2.576 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.193 3.569 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.583 3.212 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.167 2.134 -4.748 1.00 0.00 H new ATOM 309 N ILE A 22 0.455 0.479 -6.860 1.00 0.00 N ATOM 310 CA ILE A 22 1.646 -0.054 -7.532 1.00 0.00 C ATOM 311 C ILE A 22 1.427 -0.271 -9.031 1.00 0.00 C ATOM 312 O ILE A 22 2.171 0.257 -9.864 1.00 0.00 O ATOM 313 CB ILE A 22 2.067 -1.392 -6.873 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.740 -1.119 -5.521 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.980 -2.199 -7.792 1.00 0.00 C ATOM 316 CD1 ILE A 22 3.571 -2.271 -4.993 1.00 0.00 C ATOM 0 H ILE A 22 0.281 0.060 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 22 2.436 0.689 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 22 1.173 -1.991 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.378 -0.240 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.971 -0.876 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.258 -3.132 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.456 -2.420 -8.722 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.879 -1.622 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.010 -1.994 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.936 -3.147 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.365 -2.502 -5.703 1.00 0.00 H new ATOM 328 N ASP A 23 0.394 -1.033 -9.352 1.00 0.00 N ATOM 329 CA ASP A 23 0.053 -1.376 -10.732 1.00 0.00 C ATOM 330 C ASP A 23 -1.163 -2.282 -10.727 1.00 0.00 C ATOM 331 O ASP A 23 -1.799 -2.519 -11.753 1.00 0.00 O ATOM 332 CB ASP A 23 1.223 -2.092 -11.421 1.00 0.00 C ATOM 333 CG ASP A 23 1.016 -2.256 -12.914 1.00 0.00 C ATOM 334 OD1 ASP A 23 0.889 -1.232 -13.614 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.999 -3.410 -13.396 1.00 0.00 O ATOM 0 H ASP A 23 -0.239 -1.436 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.161 -0.460 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.140 -1.530 -11.246 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.359 -3.074 -10.968 1.00 0.00 H new ATOM 340 N GLN A 24 -1.482 -2.770 -9.542 1.00 0.00 N ATOM 341 CA GLN A 24 -2.622 -3.635 -9.340 1.00 0.00 C ATOM 342 C GLN A 24 -3.286 -3.285 -8.020 1.00 0.00 C ATOM 343 O GLN A 24 -2.800 -2.423 -7.282 1.00 0.00 O ATOM 344 CB GLN A 24 -2.185 -5.102 -9.340 1.00 0.00 C ATOM 345 CG GLN A 24 -1.254 -5.458 -8.192 1.00 0.00 C ATOM 346 CD GLN A 24 0.112 -5.917 -8.665 1.00 0.00 C ATOM 347 OE1 GLN A 24 0.685 -5.204 -9.623 1.00 0.00 O flip ATOM 348 NE2 GLN A 24 0.652 -6.902 -8.171 1.00 0.00 N flip ATOM 0 H GLN A 24 -0.953 -2.575 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.333 -3.491 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.070 -5.736 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.687 -5.324 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.136 -4.590 -7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.709 -6.246 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.180 -7.427 -7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.573 -7.196 -8.497 1.00 0.00 H new ATOM 357 N TYR A 25 -4.359 -3.982 -7.707 1.00 0.00 N ATOM 358 CA TYR A 25 -5.075 -3.751 -6.467 1.00 0.00 C ATOM 359 C TYR A 25 -4.575 -4.688 -5.383 1.00 0.00 C ATOM 360 O TYR A 25 -4.005 -5.741 -5.673 1.00 0.00 O ATOM 361 CB TYR A 25 -6.581 -3.925 -6.676 1.00 0.00 C ATOM 362 CG TYR A 25 -7.059 -3.422 -8.016 1.00 0.00 C ATOM 363 CD1 TYR A 25 -6.769 -2.131 -8.437 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.788 -4.241 -8.866 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.190 -1.671 -9.665 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.216 -3.786 -10.099 1.00 0.00 C ATOM 367 CZ TYR A 25 -7.912 -2.500 -10.493 1.00 0.00 C ATOM 368 OH TYR A 25 -8.324 -2.040 -11.724 1.00 0.00 O ATOM 0 H TYR A 25 -4.756 -4.715 -8.295 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.890 -2.725 -6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.835 -4.981 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.114 -3.396 -5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.204 -1.476 -7.790 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.025 -5.249 -8.560 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.955 -0.664 -9.977 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.785 -4.434 -10.750 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.821 -2.746 -12.187 1.00 0.00 H new ATOM 378 N TRP A 26 -4.726 -4.263 -4.143 1.00 0.00 N ATOM 379 CA TRP A 26 -4.255 -5.031 -3.006 1.00 0.00 C ATOM 380 C TRP A 26 -5.345 -5.123 -1.949 1.00 0.00 C ATOM 381 O TRP A 26 -6.475 -4.685 -2.161 1.00 0.00 O ATOM 382 CB TRP A 26 -3.008 -4.380 -2.390 1.00 0.00 C ATOM 383 CG TRP A 26 -1.880 -4.181 -3.355 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.555 -3.031 -4.018 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.918 -5.160 -3.752 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.454 -3.240 -4.811 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.044 -4.541 -4.664 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.718 -6.503 -3.426 1.00 0.00 C ATOM 389 CZ2 TRP A 26 1.020 -5.222 -5.248 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.336 -7.177 -4.006 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.194 -6.537 -4.909 1.00 0.00 C ATOM 0 H TRP A 26 -5.176 -3.381 -3.896 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.998 -6.031 -3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.286 -3.414 -1.969 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.659 -4.999 -1.563 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.086 -2.095 -3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.013 -2.543 -5.411 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.377 -7.005 -2.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.684 -4.731 -5.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.502 -8.215 -3.760 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.010 -7.092 -5.347 1.00 0.00 H new ATOM 402 N HIS A 27 -4.948 -5.530 -0.762 1.00 0.00 N ATOM 403 CA HIS A 27 -5.844 -5.534 0.381 1.00 0.00 C ATOM 404 C HIS A 27 -5.373 -4.503 1.392 1.00 0.00 C ATOM 405 O HIS A 27 -4.281 -3.950 1.252 1.00 0.00 O ATOM 406 CB HIS A 27 -5.891 -6.918 1.030 1.00 0.00 C ATOM 407 CG HIS A 27 -7.039 -7.771 0.587 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.844 -9.008 0.029 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.373 -7.532 0.656 1.00 0.00 C ATOM 410 CE1 HIS A 27 -8.041 -9.497 -0.227 1.00 0.00 C ATOM 411 NE2 HIS A 27 -9.007 -8.637 0.138 1.00 0.00 N ATOM 0 H HIS A 27 -4.006 -5.865 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.849 -5.284 0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.960 -7.441 0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.941 -6.797 2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.847 -6.643 1.044 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.222 -10.464 -0.673 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.013 -8.777 0.048 1.00 0.00 H new ATOM 419 N GLU A 28 -6.188 -4.251 2.406 1.00 0.00 N ATOM 420 CA GLU A 28 -5.853 -3.272 3.428 1.00 0.00 C ATOM 421 C GLU A 28 -4.625 -3.705 4.231 1.00 0.00 C ATOM 422 O GLU A 28 -3.794 -2.878 4.605 1.00 0.00 O ATOM 423 CB GLU A 28 -7.045 -3.068 4.363 1.00 0.00 C ATOM 424 CG GLU A 28 -7.729 -1.721 4.189 1.00 0.00 C ATOM 425 CD GLU A 28 -8.079 -1.069 5.510 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.106 -1.448 6.112 1.00 0.00 O ATOM 427 OE2 GLU A 28 -7.332 -0.167 5.946 1.00 0.00 O ATOM 0 H GLU A 28 -7.087 -4.712 2.542 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.616 -2.331 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.772 -3.861 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.708 -3.165 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.076 -1.057 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.638 -1.853 3.601 1.00 0.00 H new ATOM 434 N ASP A 29 -4.548 -4.990 4.540 1.00 0.00 N ATOM 435 CA ASP A 29 -3.456 -5.519 5.353 1.00 0.00 C ATOM 436 C ASP A 29 -2.608 -6.520 4.564 1.00 0.00 C ATOM 437 O ASP A 29 -1.881 -7.325 5.145 1.00 0.00 O ATOM 438 CB ASP A 29 -4.025 -6.178 6.615 1.00 0.00 C ATOM 439 CG ASP A 29 -2.982 -6.393 7.697 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.204 -5.459 7.986 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.944 -7.502 8.278 1.00 0.00 O ATOM 0 H ASP A 29 -5.228 -5.689 4.241 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.808 -4.691 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.828 -5.557 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.467 -7.138 6.349 1.00 0.00 H new ATOM 446 N CYS A 30 -2.733 -6.508 3.241 1.00 0.00 N ATOM 447 CA CYS A 30 -2.004 -7.464 2.416 1.00 0.00 C ATOM 448 C CYS A 30 -0.640 -6.936 1.993 1.00 0.00 C ATOM 449 O CYS A 30 0.355 -7.652 2.094 1.00 0.00 O ATOM 450 CB CYS A 30 -2.827 -7.876 1.194 1.00 0.00 C ATOM 451 SG CYS A 30 -3.635 -9.492 1.413 1.00 0.00 S ATOM 0 H CYS A 30 -3.323 -5.857 2.723 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.833 -8.347 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.585 -7.118 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.179 -7.913 0.319 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.828 -9.454 0.899 1.00 0.00 H new ATOM 456 N LEU A 31 -0.586 -5.699 1.526 1.00 0.00 N ATOM 457 CA LEU A 31 0.677 -5.112 1.102 1.00 0.00 C ATOM 458 C LEU A 31 1.611 -4.942 2.294 1.00 0.00 C ATOM 459 O LEU A 31 1.351 -4.147 3.196 1.00 0.00 O ATOM 460 CB LEU A 31 0.453 -3.767 0.408 1.00 0.00 C ATOM 461 CG LEU A 31 1.673 -3.219 -0.335 1.00 0.00 C ATOM 462 CD1 LEU A 31 2.086 -4.165 -1.455 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.380 -1.835 -0.886 1.00 0.00 C ATOM 0 H LEU A 31 -1.395 -5.085 1.431 1.00 0.00 H new ATOM 0 HA LEU A 31 1.140 -5.791 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.369 -3.871 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.141 -3.036 1.154 1.00 0.00 H new ATOM 0 HG LEU A 31 2.501 -3.141 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.955 -3.759 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.336 -5.139 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.262 -4.275 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.258 -1.459 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.539 -1.889 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.133 -1.162 -0.065 1.00 0.00 H new ATOM 475 N SER A 32 2.670 -5.731 2.313 1.00 0.00 N ATOM 476 CA SER A 32 3.623 -5.705 3.409 1.00 0.00 C ATOM 477 C SER A 32 5.055 -5.742 2.882 1.00 0.00 C ATOM 478 O SER A 32 5.281 -5.741 1.670 1.00 0.00 O ATOM 479 CB SER A 32 3.370 -6.890 4.345 1.00 0.00 C ATOM 480 OG SER A 32 2.564 -7.873 3.713 1.00 0.00 O ATOM 0 H SER A 32 2.893 -6.402 1.577 1.00 0.00 H new ATOM 0 HA SER A 32 3.490 -4.777 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.321 -7.331 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.880 -6.542 5.254 1.00 0.00 H new ATOM 0 HG SER A 32 2.417 -8.621 4.329 1.00 0.00 H new ATOM 486 N CYS A 33 6.010 -5.768 3.805 1.00 0.00 N ATOM 487 CA CYS A 33 7.420 -5.825 3.481 1.00 0.00 C ATOM 488 C CYS A 33 7.740 -7.021 2.585 1.00 0.00 C ATOM 489 O CYS A 33 7.727 -8.167 3.038 1.00 0.00 O ATOM 490 CB CYS A 33 8.206 -5.944 4.780 1.00 0.00 C ATOM 491 SG CYS A 33 8.806 -4.372 5.465 1.00 0.00 S ATOM 0 H CYS A 33 5.819 -5.750 4.807 1.00 0.00 H new ATOM 0 HA CYS A 33 7.694 -4.919 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.576 -6.430 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.061 -6.598 4.610 1.00 0.00 H new ATOM 0 HG CYS A 33 10.103 -4.333 5.389 1.00 0.00 H new ATOM 496 N ASP A 34 8.082 -6.747 1.336 1.00 0.00 N ATOM 497 CA ASP A 34 8.470 -7.799 0.405 1.00 0.00 C ATOM 498 C ASP A 34 9.891 -8.243 0.692 1.00 0.00 C ATOM 499 O ASP A 34 10.236 -9.419 0.554 1.00 0.00 O ATOM 500 CB ASP A 34 8.382 -7.307 -1.036 1.00 0.00 C ATOM 501 CG ASP A 34 8.190 -8.436 -2.032 1.00 0.00 C ATOM 502 OD1 ASP A 34 7.113 -9.067 -2.025 1.00 0.00 O ATOM 503 OD2 ASP A 34 9.117 -8.700 -2.830 1.00 0.00 O ATOM 0 H ASP A 34 8.099 -5.806 0.942 1.00 0.00 H new ATOM 0 HA ASP A 34 7.786 -8.637 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.553 -6.605 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.291 -6.760 -1.285 1.00 0.00 H new ATOM 508 N LEU A 35 10.721 -7.277 1.044 1.00 0.00 N ATOM 509 CA LEU A 35 12.129 -7.534 1.303 1.00 0.00 C ATOM 510 C LEU A 35 12.343 -8.077 2.711 1.00 0.00 C ATOM 511 O LEU A 35 12.888 -9.166 2.887 1.00 0.00 O ATOM 512 CB LEU A 35 12.935 -6.248 1.119 1.00 0.00 C ATOM 513 CG LEU A 35 14.454 -6.426 1.132 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.924 -7.113 -0.141 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.143 -5.083 1.300 1.00 0.00 C ATOM 0 H LEU A 35 10.443 -6.302 1.158 1.00 0.00 H new ATOM 0 HA LEU A 35 12.471 -8.286 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.647 -5.789 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.660 -5.549 1.909 1.00 0.00 H new ATOM 0 HG LEU A 35 14.720 -7.059 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.007 -7.230 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.455 -8.094 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.647 -6.508 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.223 -5.227 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.870 -4.428 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.831 -4.629 2.241 1.00 0.00 H new ATOM 527 N CYS A 36 11.981 -7.276 3.705 1.00 0.00 N ATOM 528 CA CYS A 36 12.212 -7.619 5.101 1.00 0.00 C ATOM 529 C CYS A 36 11.225 -8.671 5.598 1.00 0.00 C ATOM 530 O CYS A 36 11.616 -9.787 5.941 1.00 0.00 O ATOM 531 CB CYS A 36 12.120 -6.352 5.944 1.00 0.00 C ATOM 532 SG CYS A 36 12.596 -4.844 5.040 1.00 0.00 S ATOM 0 H CYS A 36 11.522 -6.376 3.567 1.00 0.00 H new ATOM 0 HA CYS A 36 13.208 -8.053 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 36 11.099 -6.241 6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.761 -6.460 6.819 1.00 0.00 H new ATOM 0 HG CYS A 36 11.704 -4.583 4.131 1.00 0.00 H new ATOM 537 N GLY A 37 9.949 -8.326 5.574 1.00 0.00 N ATOM 538 CA GLY A 37 8.918 -9.270 5.970 1.00 0.00 C ATOM 539 C GLY A 37 8.044 -8.772 7.110 1.00 0.00 C ATOM 540 O GLY A 37 7.280 -9.545 7.690 1.00 0.00 O ATOM 0 H GLY A 37 9.604 -7.410 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.287 -9.489 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.389 -10.207 6.267 1.00 0.00 H new ATOM 710 N TYR A 48 7.577 2.614 -2.991 1.00 0.00 N ATOM 711 CA TYR A 48 7.915 2.522 -4.392 1.00 0.00 C ATOM 712 C TYR A 48 8.473 1.142 -4.686 1.00 0.00 C ATOM 713 O TYR A 48 9.362 0.657 -3.986 1.00 0.00 O ATOM 714 CB TYR A 48 8.900 3.634 -4.778 1.00 0.00 C ATOM 715 CG TYR A 48 10.247 3.154 -5.253 1.00 0.00 C ATOM 716 CD1 TYR A 48 10.460 2.833 -6.583 1.00 0.00 C ATOM 717 CD2 TYR A 48 11.299 3.019 -4.366 1.00 0.00 C ATOM 718 CE1 TYR A 48 11.692 2.387 -7.020 1.00 0.00 C ATOM 719 CE2 TYR A 48 12.534 2.574 -4.787 1.00 0.00 C ATOM 720 CZ TYR A 48 12.727 2.258 -6.119 1.00 0.00 C ATOM 721 OH TYR A 48 13.957 1.817 -6.548 1.00 0.00 O ATOM 0 HA TYR A 48 7.020 2.662 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.450 4.241 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.046 4.285 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.650 2.933 -7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.151 3.266 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.843 2.141 -8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.345 2.473 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 48 14.576 1.784 -5.789 1.00 0.00 H new ATOM 731 N TYR A 49 7.898 0.489 -5.673 1.00 0.00 N ATOM 732 CA TYR A 49 8.327 -0.842 -6.039 1.00 0.00 C ATOM 733 C TYR A 49 9.402 -0.761 -7.121 1.00 0.00 C ATOM 734 O TYR A 49 9.385 0.138 -7.965 1.00 0.00 O ATOM 735 CB TYR A 49 7.127 -1.681 -6.495 1.00 0.00 C ATOM 736 CG TYR A 49 6.708 -1.458 -7.932 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.019 -0.312 -8.308 1.00 0.00 C ATOM 738 CD2 TYR A 49 7.000 -2.398 -8.908 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.633 -0.110 -9.618 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.619 -2.204 -10.222 1.00 0.00 C ATOM 741 CZ TYR A 49 5.936 -1.057 -10.572 1.00 0.00 C ATOM 742 OH TYR A 49 5.552 -0.858 -11.881 1.00 0.00 O ATOM 0 H TYR A 49 7.132 0.859 -6.236 1.00 0.00 H new ATOM 0 HA TYR A 49 8.761 -1.335 -5.169 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.367 -2.736 -6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.280 -1.461 -5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.781 0.433 -7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.534 -3.297 -8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.096 0.786 -9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.854 -2.946 -10.971 1.00 0.00 H new ATOM 0 HH TYR A 49 5.843 -1.618 -12.427 1.00 0.00 H new ATOM 752 N LYS A 50 10.359 -1.670 -7.059 1.00 0.00 N ATOM 753 CA LYS A 50 11.467 -1.683 -7.995 1.00 0.00 C ATOM 754 C LYS A 50 11.033 -2.273 -9.328 1.00 0.00 C ATOM 755 O LYS A 50 9.927 -2.797 -9.441 1.00 0.00 O ATOM 756 CB LYS A 50 12.630 -2.486 -7.412 1.00 0.00 C ATOM 757 CG LYS A 50 13.707 -1.618 -6.782 1.00 0.00 C ATOM 758 CD LYS A 50 15.094 -2.186 -7.027 1.00 0.00 C ATOM 759 CE LYS A 50 16.093 -1.089 -7.365 1.00 0.00 C ATOM 760 NZ LYS A 50 17.416 -1.644 -7.748 1.00 0.00 N ATOM 0 H LYS A 50 10.390 -2.415 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 50 11.794 -0.657 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.245 -3.176 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.077 -3.090 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.648 -0.609 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.530 -1.538 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.430 -2.725 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.054 -2.908 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.703 -0.482 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.211 -0.428 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.068 -0.865 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.800 -2.202 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.308 -2.254 -8.583 1.00 0.00 H new ATOM 774 N LEU A 51 11.898 -2.130 -10.332 1.00 0.00 N ATOM 775 CA LEU A 51 11.632 -2.563 -11.709 1.00 0.00 C ATOM 776 C LEU A 51 10.805 -3.852 -11.789 1.00 0.00 C ATOM 777 O LEU A 51 9.824 -3.917 -12.532 1.00 0.00 O ATOM 778 CB LEU A 51 12.955 -2.719 -12.477 1.00 0.00 C ATOM 779 CG LEU A 51 13.790 -3.963 -12.150 1.00 0.00 C ATOM 780 CD1 LEU A 51 14.823 -4.208 -13.239 1.00 0.00 C ATOM 781 CD2 LEU A 51 14.465 -3.819 -10.795 1.00 0.00 C ATOM 0 H LEU A 51 12.817 -1.704 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 51 11.027 -1.784 -12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.732 -2.728 -13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.567 -1.837 -12.287 1.00 0.00 H new ATOM 0 HG LEU A 51 13.122 -4.823 -12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 51 15.408 -5.094 -12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.317 -4.360 -14.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.485 -3.345 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.052 -4.713 -10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.121 -2.949 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.707 -3.692 -10.022 1.00 0.00 H new ATOM 793 N GLY A 52 11.176 -4.858 -11.011 1.00 0.00 N ATOM 794 CA GLY A 52 10.433 -6.100 -11.014 1.00 0.00 C ATOM 795 C GLY A 52 10.253 -6.665 -9.622 1.00 0.00 C ATOM 796 O GLY A 52 10.053 -7.867 -9.454 1.00 0.00 O ATOM 0 H GLY A 52 11.976 -4.836 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.455 -5.935 -11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.952 -6.830 -11.636 1.00 0.00 H new ATOM 800 N ARG A 53 10.324 -5.799 -8.618 1.00 0.00 N ATOM 801 CA ARG A 53 10.163 -6.225 -7.230 1.00 0.00 C ATOM 802 C ARG A 53 9.283 -5.247 -6.472 1.00 0.00 C ATOM 803 O ARG A 53 9.684 -4.112 -6.228 1.00 0.00 O ATOM 804 CB ARG A 53 11.519 -6.328 -6.527 1.00 0.00 C ATOM 805 CG ARG A 53 12.604 -6.971 -7.369 1.00 0.00 C ATOM 806 CD ARG A 53 13.366 -8.021 -6.586 1.00 0.00 C ATOM 807 NE ARG A 53 13.624 -9.210 -7.390 1.00 0.00 N ATOM 808 CZ ARG A 53 13.094 -10.407 -7.144 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.287 -10.587 -6.104 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.377 -11.429 -7.938 1.00 0.00 N ATOM 0 H ARG A 53 10.491 -4.800 -8.737 1.00 0.00 H new ATOM 0 HA ARG A 53 9.692 -7.208 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.843 -5.328 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.398 -6.903 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.158 -7.427 -8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.295 -6.205 -7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.311 -7.603 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.797 -8.298 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 53 14.249 -9.119 -8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.069 -9.805 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.886 -11.507 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.999 -11.298 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.973 -12.347 -7.752 1.00 0.00 H new ATOM 824 N LYS A 54 8.119 -5.704 -6.036 1.00 0.00 N ATOM 825 CA LYS A 54 7.215 -4.865 -5.248 1.00 0.00 C ATOM 826 C LYS A 54 7.653 -4.826 -3.783 1.00 0.00 C ATOM 827 O LYS A 54 6.891 -5.162 -2.875 1.00 0.00 O ATOM 828 CB LYS A 54 5.768 -5.363 -5.366 1.00 0.00 C ATOM 829 CG LYS A 54 5.616 -6.869 -5.230 1.00 0.00 C ATOM 830 CD LYS A 54 4.635 -7.225 -4.125 1.00 0.00 C ATOM 831 CE LYS A 54 4.215 -8.684 -4.187 1.00 0.00 C ATOM 832 NZ LYS A 54 5.339 -9.609 -3.887 1.00 0.00 N ATOM 0 H LYS A 54 7.775 -6.648 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 54 7.260 -3.851 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.164 -4.877 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.366 -5.054 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.272 -7.289 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.586 -7.317 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.090 -7.019 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.753 -6.590 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.406 -8.857 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.821 -8.904 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.961 -10.546 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.953 -9.691 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.890 -9.237 -3.087 1.00 0.00 H new ATOM 846 N LEU A 55 8.898 -4.430 -3.569 1.00 0.00 N ATOM 847 CA LEU A 55 9.467 -4.365 -2.234 1.00 0.00 C ATOM 848 C LEU A 55 9.317 -2.970 -1.642 1.00 0.00 C ATOM 849 O LEU A 55 8.802 -2.058 -2.290 1.00 0.00 O ATOM 850 CB LEU A 55 10.940 -4.788 -2.260 1.00 0.00 C ATOM 851 CG LEU A 55 11.939 -3.682 -2.599 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.160 -3.779 -1.700 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.343 -3.767 -4.058 1.00 0.00 C ATOM 0 H LEU A 55 9.538 -4.147 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 55 8.919 -5.059 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.198 -5.200 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.056 -5.592 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 55 11.462 -2.717 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.862 -2.985 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.854 -3.675 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.640 -4.747 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.055 -2.973 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.805 -4.735 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.460 -3.654 -4.687 1.00 0.00 H new ATOM 865 N CYS A 56 9.744 -2.831 -0.398 1.00 0.00 N ATOM 866 CA CYS A 56 9.668 -1.579 0.322 1.00 0.00 C ATOM 867 C CYS A 56 10.616 -0.542 -0.266 1.00 0.00 C ATOM 868 O CYS A 56 11.610 -0.882 -0.900 1.00 0.00 O ATOM 869 CB CYS A 56 10.016 -1.862 1.774 1.00 0.00 C ATOM 870 SG CYS A 56 10.415 -3.623 2.070 1.00 0.00 S ATOM 0 H CYS A 56 10.156 -3.592 0.141 1.00 0.00 H new ATOM 0 HA CYS A 56 8.662 -1.166 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.866 -1.246 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.178 -1.571 2.408 1.00 0.00 H new ATOM 0 HG CYS A 56 9.933 -3.990 3.220 1.00 0.00 H new ATOM 875 N ARG A 57 10.310 0.724 -0.036 1.00 0.00 N ATOM 876 CA ARG A 57 11.118 1.803 -0.568 1.00 0.00 C ATOM 877 C ARG A 57 12.135 2.269 0.466 1.00 0.00 C ATOM 878 O ARG A 57 13.303 2.490 0.153 1.00 0.00 O ATOM 879 CB ARG A 57 10.216 2.964 -1.016 1.00 0.00 C ATOM 880 CG ARG A 57 10.769 4.348 -0.717 1.00 0.00 C ATOM 881 CD ARG A 57 11.919 4.713 -1.644 1.00 0.00 C ATOM 882 NE ARG A 57 12.206 6.143 -1.618 1.00 0.00 N ATOM 883 CZ ARG A 57 13.245 6.708 -2.228 1.00 0.00 C ATOM 884 NH1 ARG A 57 14.126 5.954 -2.872 1.00 0.00 N ATOM 885 NH2 ARG A 57 13.414 8.024 -2.176 1.00 0.00 N ATOM 0 H ARG A 57 9.508 1.027 0.516 1.00 0.00 H new ATOM 0 HA ARG A 57 11.667 1.438 -1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.044 2.880 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.246 2.862 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.973 5.086 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.110 4.387 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.811 4.158 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.675 4.410 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 57 11.570 6.748 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.007 4.941 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.922 6.387 -3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.747 8.604 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.211 8.455 -2.644 1.00 0.00 H new ATOM 899 N ARG A 58 11.688 2.437 1.695 1.00 0.00 N ATOM 900 CA ARG A 58 12.563 2.925 2.749 1.00 0.00 C ATOM 901 C ARG A 58 13.503 1.820 3.208 1.00 0.00 C ATOM 902 O ARG A 58 14.612 2.083 3.671 1.00 0.00 O ATOM 903 CB ARG A 58 11.749 3.462 3.932 1.00 0.00 C ATOM 904 CG ARG A 58 10.901 4.693 3.615 1.00 0.00 C ATOM 905 CD ARG A 58 11.493 5.539 2.495 1.00 0.00 C ATOM 906 NE ARG A 58 12.424 6.552 2.992 1.00 0.00 N ATOM 907 CZ ARG A 58 12.679 7.706 2.370 1.00 0.00 C ATOM 908 NH1 ARG A 58 11.997 8.058 1.284 1.00 0.00 N ATOM 909 NH2 ARG A 58 13.595 8.530 2.855 1.00 0.00 N ATOM 0 H ARG A 58 10.731 2.245 1.990 1.00 0.00 H new ATOM 0 HA ARG A 58 13.157 3.746 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.094 2.670 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.433 3.708 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.897 4.375 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.803 5.303 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.010 4.890 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.687 6.028 1.948 1.00 0.00 H new ATOM 0 HE ARG A 58 12.909 6.365 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.270 7.444 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.201 8.942 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.105 8.283 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.790 9.412 2.381 1.00 0.00 H new ATOM 923 N ASP A 59 13.084 0.578 3.000 1.00 0.00 N ATOM 924 CA ASP A 59 13.906 -0.572 3.346 1.00 0.00 C ATOM 925 C ASP A 59 14.847 -0.909 2.199 1.00 0.00 C ATOM 926 O ASP A 59 16.001 -1.270 2.423 1.00 0.00 O ATOM 927 CB ASP A 59 13.028 -1.772 3.706 1.00 0.00 C ATOM 928 CG ASP A 59 12.118 -1.488 4.893 1.00 0.00 C ATOM 929 OD1 ASP A 59 12.559 -0.767 5.825 1.00 0.00 O ATOM 930 OD2 ASP A 59 10.953 -1.941 4.892 1.00 0.00 O ATOM 0 H ASP A 59 12.179 0.342 2.593 1.00 0.00 H new ATOM 0 HA ASP A 59 14.507 -0.323 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.421 -2.047 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.663 -2.628 3.935 1.00 0.00 H new ATOM 935 N TYR A 60 14.412 -0.597 0.977 1.00 0.00 N ATOM 936 CA TYR A 60 15.285 -0.682 -0.190 1.00 0.00 C ATOM 937 C TYR A 60 16.454 0.274 -0.008 1.00 0.00 C ATOM 938 O TYR A 60 17.560 0.037 -0.490 1.00 0.00 O ATOM 939 CB TYR A 60 14.506 -0.330 -1.470 1.00 0.00 C ATOM 940 CG TYR A 60 15.208 0.652 -2.393 1.00 0.00 C ATOM 941 CD1 TYR A 60 15.115 2.028 -2.192 1.00 0.00 C ATOM 942 CD2 TYR A 60 15.970 0.199 -3.462 1.00 0.00 C ATOM 943 CE1 TYR A 60 15.762 2.918 -3.026 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.617 1.087 -4.301 1.00 0.00 C ATOM 945 CZ TYR A 60 16.512 2.444 -4.078 1.00 0.00 C ATOM 946 OH TYR A 60 17.165 3.330 -4.902 1.00 0.00 O ATOM 0 H TYR A 60 13.463 -0.284 0.772 1.00 0.00 H new ATOM 0 HA TYR A 60 15.659 -1.701 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.308 -1.249 -2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.539 0.086 -1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.526 2.405 -1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.058 -0.862 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.680 3.981 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.204 0.719 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 60 17.651 2.835 -5.595 1.00 0.00 H new ATOM 1420 N LEU A 96 3.131 5.510 -3.183 1.00 0.00 N ATOM 1421 CA LEU A 96 2.592 4.993 -1.937 1.00 0.00 C ATOM 1422 C LEU A 96 1.537 3.938 -2.246 1.00 0.00 C ATOM 1423 O LEU A 96 1.633 3.245 -3.258 1.00 0.00 O ATOM 1424 CB LEU A 96 1.993 6.117 -1.075 1.00 0.00 C ATOM 1425 CG LEU A 96 1.481 7.347 -1.832 1.00 0.00 C ATOM 1426 CD1 LEU A 96 0.324 6.970 -2.739 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.062 8.435 -0.854 1.00 0.00 C ATOM 0 HA LEU A 96 3.404 4.543 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.168 5.703 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.750 6.443 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 96 2.290 7.734 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.027 7.856 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.656 6.223 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.489 6.560 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.701 9.302 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.267 8.059 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.917 8.725 -0.244 1.00 0.00 H new ATOM 1439 N ILE A 97 0.449 3.957 -1.494 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.702 3.145 -1.805 1.00 0.00 C ATOM 1441 C ILE A 97 -1.939 3.974 -1.557 1.00 0.00 C ATOM 1442 O ILE A 97 -1.993 4.745 -0.596 1.00 0.00 O ATOM 1443 CB ILE A 97 -0.784 1.845 -0.980 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.427 1.694 -0.053 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.905 0.647 -1.911 1.00 0.00 C ATOM 1446 CD1 ILE A 97 0.107 0.987 1.245 1.00 0.00 C ATOM 0 H ILE A 97 0.345 4.533 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.617 2.839 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.672 1.894 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.208 1.142 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.830 2.682 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.962 -0.268 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.806 0.746 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.033 0.604 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.009 0.915 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.652 1.550 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.267 -0.014 1.031 1.00 0.00 H new ATOM 1458 N THR A 98 -2.879 3.902 -2.467 1.00 0.00 N ATOM 1459 CA THR A 98 -4.051 4.718 -2.386 1.00 0.00 C ATOM 1460 C THR A 98 -5.125 4.003 -1.569 1.00 0.00 C ATOM 1461 O THR A 98 -5.466 2.844 -1.835 1.00 0.00 O ATOM 1462 CB THR A 98 -4.542 5.065 -3.806 1.00 0.00 C ATOM 1463 OG1 THR A 98 -4.176 6.410 -4.135 1.00 0.00 O ATOM 1464 CG2 THR A 98 -6.034 4.890 -3.943 1.00 0.00 C ATOM 0 H THR A 98 -2.849 3.280 -3.275 1.00 0.00 H new ATOM 0 HA THR A 98 -3.818 5.653 -1.877 1.00 0.00 H new ATOM 0 HB THR A 98 -4.062 4.374 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.490 6.623 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.339 5.145 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.300 3.854 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.544 5.545 -3.236 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.569 4.660 -0.509 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.560 4.091 0.378 1.00 0.00 C ATOM 1474 C ARG A 99 -7.951 4.272 -0.212 1.00 0.00 C ATOM 1475 O ARG A 99 -8.479 5.384 -0.253 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.473 4.746 1.754 1.00 0.00 C ATOM 1477 CG ARG A 99 -5.963 3.806 2.830 1.00 0.00 C ATOM 1478 CD ARG A 99 -6.864 2.588 2.949 1.00 0.00 C ATOM 1479 NE ARG A 99 -7.091 2.159 4.334 1.00 0.00 N ATOM 1480 CZ ARG A 99 -7.529 2.938 5.331 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -7.679 4.251 5.176 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -7.824 2.378 6.488 1.00 0.00 N ATOM 0 H ARG A 99 -5.254 5.593 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.365 3.024 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.815 5.613 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.459 5.113 2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.947 3.491 2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.920 4.328 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.825 2.810 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.422 1.763 2.390 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.898 1.182 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.458 4.687 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.015 4.821 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.717 1.371 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.159 2.952 7.262 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.500 3.189 -0.738 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.790 3.230 -1.401 1.00 0.00 C ATOM 1498 C LEU A 100 -10.739 2.200 -0.805 1.00 0.00 C ATOM 1499 O LEU A 100 -10.434 1.560 0.202 1.00 0.00 O ATOM 1500 CB LEU A 100 -9.625 2.976 -2.898 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.496 3.849 -3.800 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -9.940 5.261 -3.868 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -10.599 3.242 -5.189 1.00 0.00 C ATOM 0 H LEU A 100 -8.067 2.265 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.215 4.222 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.580 3.133 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.852 1.929 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.498 3.897 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.572 5.870 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.921 5.693 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.928 5.234 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.223 3.877 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.604 3.164 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.044 2.249 -5.120 1.00 0.00 H new ATOM 1515 N GLU A 101 -11.898 2.065 -1.422 1.00 0.00 N ATOM 1516 CA GLU A 101 -12.932 1.160 -0.947 1.00 0.00 C ATOM 1517 C GLU A 101 -13.485 0.334 -2.096 1.00 0.00 C ATOM 1518 O GLU A 101 -13.600 0.823 -3.221 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.056 1.962 -0.303 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.948 3.448 -0.576 1.00 0.00 C ATOM 1521 CD GLU A 101 -15.289 4.122 -0.671 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -16.251 3.464 -1.107 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.378 5.310 -0.318 1.00 0.00 O ATOM 0 H GLU A 101 -12.151 2.579 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.496 0.485 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.014 1.598 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.046 1.793 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.366 3.917 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.402 3.603 -1.506 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.852 -0.905 -1.808 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.424 -1.779 -2.823 1.00 0.00 C ATOM 1532 C ASN A 102 -15.923 -1.539 -2.944 1.00 0.00 C ATOM 1533 O ASN A 102 -16.457 -1.418 -4.047 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.150 -3.250 -2.490 1.00 0.00 C ATOM 1535 CG ASN A 102 -15.112 -4.200 -3.184 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.184 -4.248 -4.413 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -15.853 -4.966 -2.403 1.00 0.00 N ATOM 0 H ASN A 102 -13.765 -1.328 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.952 -1.548 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.129 -3.499 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.220 -3.393 -1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.513 -5.626 -2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.765 -4.897 -1.389 1.00 0.00 H new ATOM 1544 N THR A 103 -16.597 -1.497 -1.804 1.00 0.00 N ATOM 1545 CA THR A 103 -18.034 -1.305 -1.776 1.00 0.00 C ATOM 1546 C THR A 103 -18.390 0.181 -1.860 1.00 0.00 C ATOM 1547 O THR A 103 -18.413 0.754 -2.949 1.00 0.00 O ATOM 1548 CB THR A 103 -18.635 -1.942 -0.505 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.651 -2.769 0.133 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.858 -2.772 -0.845 1.00 0.00 C ATOM 0 H THR A 103 -16.167 -1.594 -0.884 1.00 0.00 H new ATOM 0 HA THR A 103 -18.463 -1.800 -2.647 1.00 0.00 H new ATOM 0 HB THR A 103 -18.937 -1.143 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.995 -3.081 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.265 -3.211 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.612 -2.136 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.578 -3.566 -1.537 1.00 0.00 H new