USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 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 41 SER OG : rot 180:sc= 0.154 USER MOD Set 1.2: A 57 CYS SG : rot -160:sc= 0 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -108:sc= -1.23 (180deg=-2.73!) USER MOD Set 2.2: A 59 SER OG : rot -99:sc= -3.42! USER MOD Set 3.1: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 68 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 4.1: A 8 ASN : amide:sc= -1.48 X(o=-5.8,f=-5.6) USER MOD Set 4.2: A 19 GLN : amide:sc= -1.17 K(o=-5.8,f=-17!) USER MOD Set 4.3: A 25 TYR OH : rot 100:sc= -3.17! USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.698 (180deg=-1.29) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= -0.0459 (180deg=-0.405) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1) USER MOD Single : A 29 TYR OH : rot 126:sc= -3.06! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -15.8! C(o=-16!,f=-14!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.135) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= 0.0213 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -13.357 7.563 6.207 1.00 0.00 N ATOM 63 CA ARG A 6 -13.632 6.093 6.173 1.00 0.00 C ATOM 64 C ARG A 6 -13.669 5.631 4.712 1.00 0.00 C ATOM 65 O ARG A 6 -13.842 6.425 3.809 1.00 0.00 O ATOM 66 CB ARG A 6 -14.980 5.812 6.843 1.00 0.00 C ATOM 67 CG ARG A 6 -14.862 6.076 8.347 1.00 0.00 C ATOM 68 CD ARG A 6 -16.129 5.593 9.055 1.00 0.00 C ATOM 69 NE ARG A 6 -17.308 6.424 8.631 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.346 7.717 8.825 1.00 0.00 C ATOM 71 NH1 ARG A 6 -16.435 8.303 9.550 1.00 0.00 N ATOM 72 NH2 ARG A 6 -18.332 8.417 8.330 1.00 0.00 N ATOM 0 HA ARG A 6 -12.850 5.553 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.754 6.446 6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.279 4.779 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.990 5.561 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.715 7.141 8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.310 4.544 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.998 5.658 10.135 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.100 5.967 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.686 7.753 9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.471 9.312 9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.067 7.955 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.366 9.426 8.478 1.00 0.00 H new ATOM 86 N ASP A 7 -13.502 4.357 4.467 1.00 0.00 N ATOM 87 CA ASP A 7 -13.525 3.867 3.056 1.00 0.00 C ATOM 88 C ASP A 7 -14.971 3.807 2.560 1.00 0.00 C ATOM 89 O ASP A 7 -15.888 4.223 3.241 1.00 0.00 O ATOM 90 CB ASP A 7 -12.888 2.474 2.981 1.00 0.00 C ATOM 91 CG ASP A 7 -13.772 1.453 3.703 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.697 1.870 4.380 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.507 0.270 3.564 1.00 0.00 O ATOM 0 H ASP A 7 -13.352 3.640 5.176 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.957 4.551 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.757 2.181 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.897 2.494 3.434 1.00 0.00 H new ATOM 98 N ASN A 8 -15.185 3.305 1.374 1.00 0.00 N ATOM 99 CA ASN A 8 -16.575 3.233 0.840 1.00 0.00 C ATOM 100 C ASN A 8 -17.421 2.323 1.730 1.00 0.00 C ATOM 101 O ASN A 8 -18.614 2.192 1.544 1.00 0.00 O ATOM 102 CB ASN A 8 -16.557 2.665 -0.580 1.00 0.00 C ATOM 103 CG ASN A 8 -15.936 3.679 -1.541 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.169 4.865 -1.429 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.153 3.252 -2.492 1.00 0.00 N ATOM 0 H ASN A 8 -14.461 2.943 0.754 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.002 4.236 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.988 1.736 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.572 2.425 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.734 3.915 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.959 2.255 -2.584 1.00 0.00 H new ATOM 112 N ARG A 9 -16.807 1.681 2.689 1.00 0.00 N ATOM 113 CA ARG A 9 -17.560 0.766 3.597 1.00 0.00 C ATOM 114 C ARG A 9 -17.750 1.441 4.954 1.00 0.00 C ATOM 115 O ARG A 9 -18.784 2.012 5.238 1.00 0.00 O ATOM 116 CB ARG A 9 -16.749 -0.518 3.768 1.00 0.00 C ATOM 117 CG ARG A 9 -16.708 -1.270 2.434 1.00 0.00 C ATOM 118 CD ARG A 9 -16.141 -2.674 2.643 1.00 0.00 C ATOM 119 NE ARG A 9 -15.814 -3.261 1.311 1.00 0.00 N ATOM 120 CZ ARG A 9 -15.115 -4.361 1.230 1.00 0.00 C ATOM 121 NH1 ARG A 9 -14.742 -4.983 2.313 1.00 0.00 N ATOM 122 NH2 ARG A 9 -14.804 -4.851 0.059 1.00 0.00 N ATOM 0 H ARG A 9 -15.808 1.752 2.884 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.538 0.535 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.737 -0.282 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.197 -1.145 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.711 -1.333 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.094 -0.724 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.248 -2.632 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.865 -3.300 3.164 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.138 -2.801 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.996 -4.611 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.196 -5.842 2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.107 -4.374 -0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.258 -5.710 -0.006 1.00 0.00 H new ATOM 136 N GLY A 10 -16.752 1.384 5.790 1.00 0.00 N ATOM 137 CA GLY A 10 -16.860 2.027 7.136 1.00 0.00 C ATOM 138 C GLY A 10 -15.584 1.773 7.948 1.00 0.00 C ATOM 139 O GLY A 10 -15.479 2.173 9.092 1.00 0.00 O ATOM 0 H GLY A 10 -15.863 0.920 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.021 3.099 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.724 1.630 7.669 1.00 0.00 H new ATOM 143 N ARG A 11 -14.610 1.120 7.369 1.00 0.00 N ATOM 144 CA ARG A 11 -13.341 0.856 8.109 1.00 0.00 C ATOM 145 C ARG A 11 -12.409 2.055 7.922 1.00 0.00 C ATOM 146 O ARG A 11 -12.226 2.546 6.825 1.00 0.00 O ATOM 147 CB ARG A 11 -12.682 -0.425 7.577 1.00 0.00 C ATOM 148 CG ARG A 11 -12.774 -0.485 6.044 1.00 0.00 C ATOM 149 CD ARG A 11 -12.061 -1.746 5.531 1.00 0.00 C ATOM 150 NE ARG A 11 -12.528 -2.049 4.148 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.907 -2.942 3.422 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.867 -3.569 3.903 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.324 -3.203 2.213 1.00 0.00 N ATOM 0 H ARG A 11 -14.639 0.758 6.416 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.548 0.717 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.637 -0.458 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.170 -1.298 8.010 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.819 -0.494 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.319 0.404 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.981 -1.595 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.269 -2.589 6.190 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.336 -1.557 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.538 -3.362 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.384 -4.265 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.134 -2.711 1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.840 -3.899 1.646 1.00 0.00 H new ATOM 167 N ILE A 12 -11.839 2.546 8.987 1.00 0.00 N ATOM 168 CA ILE A 12 -10.944 3.731 8.871 1.00 0.00 C ATOM 169 C ILE A 12 -9.642 3.355 8.158 1.00 0.00 C ATOM 170 O ILE A 12 -8.998 2.380 8.489 1.00 0.00 O ATOM 171 CB ILE A 12 -10.629 4.274 10.271 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.911 4.849 10.887 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.567 5.376 10.170 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.687 5.188 12.365 1.00 0.00 C ATOM 0 H ILE A 12 -11.954 2.179 9.932 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.451 4.498 8.286 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.249 3.468 10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.214 5.744 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.723 4.128 10.791 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.345 5.760 11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.659 4.966 9.728 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.942 6.186 9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.605 5.595 12.788 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.407 4.285 12.907 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.889 5.926 12.452 1.00 0.00 H new ATOM 186 N LEU A 13 -9.250 4.142 7.189 1.00 0.00 N ATOM 187 CA LEU A 13 -7.980 3.866 6.447 1.00 0.00 C ATOM 188 C LEU A 13 -6.824 4.534 7.197 1.00 0.00 C ATOM 189 O LEU A 13 -7.036 5.396 8.026 1.00 0.00 O ATOM 190 CB LEU A 13 -8.068 4.465 5.035 1.00 0.00 C ATOM 191 CG LEU A 13 -9.216 3.807 4.241 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.717 4.767 3.154 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.722 2.518 3.571 1.00 0.00 C ATOM 0 H LEU A 13 -9.758 4.970 6.877 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.819 2.790 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.232 5.541 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.124 4.317 4.511 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.026 3.575 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.527 4.296 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.081 5.684 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.899 5.004 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.540 2.061 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.904 2.753 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.371 1.823 4.334 1.00 0.00 H new ATOM 205 N LYS A 14 -5.605 4.146 6.922 1.00 0.00 N ATOM 206 CA LYS A 14 -4.447 4.767 7.638 1.00 0.00 C ATOM 207 C LYS A 14 -3.984 6.018 6.887 1.00 0.00 C ATOM 208 O LYS A 14 -4.480 6.348 5.828 1.00 0.00 O ATOM 209 CB LYS A 14 -3.272 3.781 7.714 1.00 0.00 C ATOM 210 CG LYS A 14 -3.737 2.387 8.230 1.00 0.00 C ATOM 211 CD LYS A 14 -3.225 2.132 9.658 1.00 0.00 C ATOM 212 CE LYS A 14 -3.908 3.089 10.638 1.00 0.00 C ATOM 213 NZ LYS A 14 -5.385 3.023 10.455 1.00 0.00 N ATOM 0 H LYS A 14 -5.361 3.431 6.237 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.769 5.030 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.820 3.674 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.503 4.179 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.826 2.334 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.370 1.607 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.425 1.100 9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.144 2.270 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.646 2.824 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.556 4.107 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.855 3.495 11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.647 3.499 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.686 2.028 10.416 1.00 0.00 H new ATOM 227 N THR A 15 -3.030 6.708 7.444 1.00 0.00 N ATOM 228 CA THR A 15 -2.494 7.948 6.800 1.00 0.00 C ATOM 229 C THR A 15 -1.890 7.629 5.423 1.00 0.00 C ATOM 230 O THR A 15 -1.067 6.745 5.290 1.00 0.00 O ATOM 231 CB THR A 15 -1.410 8.560 7.702 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.884 8.611 9.040 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.085 9.980 7.232 1.00 0.00 C ATOM 0 H THR A 15 -2.590 6.465 8.331 1.00 0.00 H new ATOM 0 HA THR A 15 -3.313 8.654 6.666 1.00 0.00 H new ATOM 0 HB THR A 15 -0.511 7.945 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.194 8.999 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.316 10.409 7.875 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.723 9.949 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.984 10.594 7.282 1.00 0.00 H new ATOM 241 N GLY A 16 -2.262 8.372 4.405 1.00 0.00 N ATOM 242 CA GLY A 16 -1.676 8.147 3.042 1.00 0.00 C ATOM 243 C GLY A 16 -2.529 7.184 2.204 1.00 0.00 C ATOM 244 O GLY A 16 -2.657 7.349 1.009 1.00 0.00 O ATOM 0 H GLY A 16 -2.947 9.126 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.589 9.101 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.668 7.745 3.142 1.00 0.00 H new ATOM 248 N GLU A 17 -3.097 6.175 2.799 1.00 0.00 N ATOM 249 CA GLU A 17 -3.914 5.212 2.007 1.00 0.00 C ATOM 250 C GLU A 17 -5.239 5.855 1.595 1.00 0.00 C ATOM 251 O GLU A 17 -5.767 6.713 2.273 1.00 0.00 O ATOM 252 CB GLU A 17 -4.184 3.968 2.855 1.00 0.00 C ATOM 253 CG GLU A 17 -2.862 3.243 3.144 1.00 0.00 C ATOM 254 CD GLU A 17 -2.101 3.970 4.256 1.00 0.00 C ATOM 255 OE1 GLU A 17 -2.632 4.935 4.780 1.00 0.00 O ATOM 256 OE2 GLU A 17 -0.999 3.549 4.566 1.00 0.00 O ATOM 0 H GLU A 17 -3.032 5.974 3.797 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.368 4.933 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.667 4.251 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.869 3.301 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.059 2.213 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.254 3.204 2.240 1.00 0.00 H new ATOM 263 N SER A 18 -5.778 5.438 0.479 1.00 0.00 N ATOM 264 CA SER A 18 -7.070 6.011 0.005 1.00 0.00 C ATOM 265 C SER A 18 -7.763 5.004 -0.915 1.00 0.00 C ATOM 266 O SER A 18 -7.121 4.243 -1.608 1.00 0.00 O ATOM 267 CB SER A 18 -6.804 7.302 -0.770 1.00 0.00 C ATOM 268 OG SER A 18 -8.042 7.861 -1.189 1.00 0.00 O ATOM 0 H SER A 18 -5.376 4.722 -0.126 1.00 0.00 H new ATOM 0 HA SER A 18 -7.708 6.226 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.265 8.012 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.173 7.097 -1.635 1.00 0.00 H new ATOM 0 HG SER A 18 -7.876 8.690 -1.685 1.00 0.00 H new ATOM 274 N GLN A 19 -9.072 4.996 -0.921 1.00 0.00 N ATOM 275 CA GLN A 19 -9.825 4.036 -1.790 1.00 0.00 C ATOM 276 C GLN A 19 -10.405 4.770 -2.997 1.00 0.00 C ATOM 277 O GLN A 19 -11.009 5.816 -2.871 1.00 0.00 O ATOM 278 CB GLN A 19 -10.973 3.427 -0.985 1.00 0.00 C ATOM 279 CG GLN A 19 -11.687 2.371 -1.831 1.00 0.00 C ATOM 280 CD GLN A 19 -12.800 1.728 -1.004 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.656 2.414 -0.479 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.830 0.430 -0.873 1.00 0.00 N ATOM 0 H GLN A 19 -9.656 5.616 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.146 3.255 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.590 2.976 -0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.675 4.206 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.103 2.828 -2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.978 1.612 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.111 -0.144 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.572 -0.011 -0.330 1.00 0.00 H new ATOM 291 N ARG A 20 -10.234 4.218 -4.167 1.00 0.00 N ATOM 292 CA ARG A 20 -10.784 4.868 -5.390 1.00 0.00 C ATOM 293 C ARG A 20 -12.243 4.449 -5.583 1.00 0.00 C ATOM 294 O ARG A 20 -12.747 3.567 -4.914 1.00 0.00 O ATOM 295 CB ARG A 20 -9.983 4.432 -6.613 1.00 0.00 C ATOM 296 CG ARG A 20 -8.500 4.770 -6.420 1.00 0.00 C ATOM 297 CD ARG A 20 -7.789 4.757 -7.778 1.00 0.00 C ATOM 298 NE ARG A 20 -7.996 6.073 -8.445 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.302 6.388 -9.501 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.457 5.531 -10.005 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.455 7.557 -10.058 1.00 0.00 N ATOM 0 H ARG A 20 -9.736 3.343 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.720 5.950 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.102 3.360 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.365 4.931 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.398 5.750 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.036 4.048 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.724 4.566 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.181 3.953 -8.401 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.683 6.729 -8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.340 4.615 -9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.913 5.777 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.119 8.225 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.911 7.803 -10.885 1.00 0.00 H new ATOM 315 N LYS A 21 -12.919 5.075 -6.505 1.00 0.00 N ATOM 316 CA LYS A 21 -14.343 4.726 -6.769 1.00 0.00 C ATOM 317 C LYS A 21 -14.433 3.331 -7.390 1.00 0.00 C ATOM 318 O LYS A 21 -15.480 2.714 -7.398 1.00 0.00 O ATOM 319 CB LYS A 21 -14.940 5.753 -7.743 1.00 0.00 C ATOM 320 CG LYS A 21 -16.411 5.386 -8.081 1.00 0.00 C ATOM 321 CD LYS A 21 -16.498 4.661 -9.444 1.00 0.00 C ATOM 322 CE LYS A 21 -16.629 5.687 -10.577 1.00 0.00 C ATOM 323 NZ LYS A 21 -17.986 6.303 -10.531 1.00 0.00 N ATOM 0 H LYS A 21 -12.543 5.820 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.896 4.736 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.899 6.749 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.347 5.785 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.820 4.748 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.019 6.290 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.609 4.049 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.354 3.986 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.864 6.457 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.469 5.204 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.249 6.636 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.677 5.596 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.980 7.107 -9.872 1.00 0.00 H new ATOM 337 N ASP A 22 -13.354 2.831 -7.927 1.00 0.00 N ATOM 338 CA ASP A 22 -13.397 1.483 -8.564 1.00 0.00 C ATOM 339 C ASP A 22 -13.261 0.387 -7.502 1.00 0.00 C ATOM 340 O ASP A 22 -13.660 -0.739 -7.720 1.00 0.00 O ATOM 341 CB ASP A 22 -12.249 1.367 -9.568 1.00 0.00 C ATOM 342 CG ASP A 22 -12.549 2.235 -10.794 1.00 0.00 C ATOM 343 OD1 ASP A 22 -12.359 3.437 -10.707 1.00 0.00 O ATOM 344 OD2 ASP A 22 -12.967 1.682 -11.798 1.00 0.00 O ATOM 0 H ASP A 22 -12.446 3.296 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.352 1.359 -9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.314 1.684 -9.105 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.119 0.327 -9.869 1.00 0.00 H new ATOM 349 N GLY A 23 -12.718 0.709 -6.349 1.00 0.00 N ATOM 350 CA GLY A 23 -12.569 -0.315 -5.260 1.00 0.00 C ATOM 351 C GLY A 23 -11.086 -0.567 -4.983 1.00 0.00 C ATOM 352 O GLY A 23 -10.683 -0.777 -3.857 1.00 0.00 O ATOM 0 H GLY A 23 -12.371 1.639 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.064 0.031 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.056 -1.245 -5.554 1.00 0.00 H new ATOM 356 N ARG A 24 -10.269 -0.550 -5.999 1.00 0.00 N ATOM 357 CA ARG A 24 -8.816 -0.790 -5.782 1.00 0.00 C ATOM 358 C ARG A 24 -8.260 0.294 -4.858 1.00 0.00 C ATOM 359 O ARG A 24 -8.607 1.454 -4.964 1.00 0.00 O ATOM 360 CB ARG A 24 -8.084 -0.763 -7.132 1.00 0.00 C ATOM 361 CG ARG A 24 -8.765 0.245 -8.061 1.00 0.00 C ATOM 362 CD ARG A 24 -7.821 0.634 -9.198 1.00 0.00 C ATOM 363 NE ARG A 24 -8.573 1.401 -10.229 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.923 2.109 -11.111 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.618 2.132 -11.096 1.00 0.00 N ATOM 366 NH2 ARG A 24 -8.578 2.793 -12.008 1.00 0.00 N ATOM 0 H ARG A 24 -10.544 -0.381 -6.967 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.667 -1.766 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.039 -0.491 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.095 -1.755 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.680 -0.185 -8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.054 1.133 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.998 1.235 -8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.383 -0.260 -9.642 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.592 1.373 -10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.107 1.596 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.110 2.686 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.598 2.774 -12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.070 3.347 -12.698 1.00 0.00 H new ATOM 380 N TYR A 25 -7.399 -0.077 -3.947 1.00 0.00 N ATOM 381 CA TYR A 25 -6.820 0.924 -3.011 1.00 0.00 C ATOM 382 C TYR A 25 -5.604 1.586 -3.649 1.00 0.00 C ATOM 383 O TYR A 25 -5.126 1.170 -4.687 1.00 0.00 O ATOM 384 CB TYR A 25 -6.406 0.229 -1.718 1.00 0.00 C ATOM 385 CG TYR A 25 -7.640 -0.248 -0.993 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.426 0.666 -0.279 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.004 -1.600 -1.037 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.573 0.227 0.389 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.153 -2.038 -0.368 1.00 0.00 C ATOM 390 CZ TYR A 25 -9.937 -1.125 0.345 1.00 0.00 C ATOM 391 OH TYR A 25 -11.069 -1.553 1.004 1.00 0.00 O ATOM 0 H TYR A 25 -7.073 -1.034 -3.813 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.567 1.687 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.751 -0.614 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.842 0.915 -1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.146 1.709 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.398 -2.305 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.179 0.931 0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.434 -3.080 -0.402 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.805 -1.646 0.364 1.00 0.00 H new ATOM 401 N LEU A 26 -5.105 2.623 -3.030 1.00 0.00 N ATOM 402 CA LEU A 26 -3.924 3.341 -3.583 1.00 0.00 C ATOM 403 C LEU A 26 -3.133 3.980 -2.432 1.00 0.00 C ATOM 404 O LEU A 26 -3.677 4.694 -1.615 1.00 0.00 O ATOM 405 CB LEU A 26 -4.427 4.434 -4.528 1.00 0.00 C ATOM 406 CG LEU A 26 -3.247 5.128 -5.226 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.531 4.147 -6.175 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.775 6.332 -6.019 1.00 0.00 C ATOM 0 H LEU A 26 -5.470 3.005 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.276 2.649 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.094 4.000 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.008 5.167 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.531 5.464 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.698 4.654 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.156 3.297 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.233 3.795 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.945 6.831 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.494 5.990 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.262 7.030 -5.339 1.00 0.00 H new ATOM 420 N TYR A 27 -1.851 3.734 -2.370 1.00 0.00 N ATOM 421 CA TYR A 27 -0.996 4.320 -1.288 1.00 0.00 C ATOM 422 C TYR A 27 0.223 4.969 -1.933 1.00 0.00 C ATOM 423 O TYR A 27 0.745 4.478 -2.909 1.00 0.00 O ATOM 424 CB TYR A 27 -0.550 3.208 -0.341 1.00 0.00 C ATOM 425 CG TYR A 27 0.477 3.732 0.640 1.00 0.00 C ATOM 426 CD1 TYR A 27 0.127 4.737 1.552 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.779 3.202 0.646 1.00 0.00 C ATOM 428 CE1 TYR A 27 1.077 5.210 2.465 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.724 3.679 1.559 1.00 0.00 C ATOM 430 CZ TYR A 27 2.372 4.682 2.470 1.00 0.00 C ATOM 431 OH TYR A 27 3.303 5.153 3.370 1.00 0.00 O ATOM 0 H TYR A 27 -1.350 3.143 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.556 5.065 -0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.411 2.814 0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.128 2.382 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.873 5.145 1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.049 2.426 -0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.809 5.985 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.725 3.274 1.562 1.00 0.00 H new ATOM 0 HH TYR A 27 2.848 5.451 4.185 1.00 0.00 H new ATOM 441 N LYS A 28 0.668 6.081 -1.404 1.00 0.00 N ATOM 442 CA LYS A 28 1.845 6.799 -1.990 1.00 0.00 C ATOM 443 C LYS A 28 3.000 6.829 -0.987 1.00 0.00 C ATOM 444 O LYS A 28 2.807 7.004 0.200 1.00 0.00 O ATOM 445 CB LYS A 28 1.427 8.241 -2.304 1.00 0.00 C ATOM 446 CG LYS A 28 2.549 8.966 -3.061 1.00 0.00 C ATOM 447 CD LYS A 28 2.329 10.486 -2.977 1.00 0.00 C ATOM 448 CE LYS A 28 3.519 11.243 -3.604 1.00 0.00 C ATOM 449 NZ LYS A 28 3.190 11.601 -5.012 1.00 0.00 N ATOM 0 H LYS A 28 0.262 6.528 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 28 2.170 6.283 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.516 8.241 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.201 8.771 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.517 8.704 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.563 8.647 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.407 10.755 -3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.209 10.785 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.735 12.143 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.415 10.623 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.030 12.004 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.889 10.748 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.421 12.301 -5.022 1.00 0.00 H new ATOM 463 N TYR A 29 4.206 6.685 -1.469 1.00 0.00 N ATOM 464 CA TYR A 29 5.391 6.737 -0.559 1.00 0.00 C ATOM 465 C TYR A 29 6.597 7.306 -1.319 1.00 0.00 C ATOM 466 O TYR A 29 6.459 7.805 -2.418 1.00 0.00 O ATOM 467 CB TYR A 29 5.696 5.345 -0.019 1.00 0.00 C ATOM 468 CG TYR A 29 6.218 4.455 -1.118 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.368 4.042 -2.152 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.553 4.028 -1.098 1.00 0.00 C ATOM 471 CE1 TYR A 29 5.854 3.209 -3.164 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.037 3.196 -2.108 1.00 0.00 C ATOM 473 CZ TYR A 29 7.190 2.784 -3.143 1.00 0.00 C ATOM 474 OH TYR A 29 7.671 1.960 -4.140 1.00 0.00 O ATOM 0 H TYR A 29 4.423 6.533 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 29 5.173 7.389 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.432 5.413 0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.794 4.910 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.338 4.367 -2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.208 4.344 -0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.200 2.892 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.066 2.870 -2.091 1.00 0.00 H new ATOM 0 HH TYR A 29 8.469 2.364 -4.542 1.00 0.00 H new ATOM 484 N ILE A 30 7.773 7.266 -0.730 1.00 0.00 N ATOM 485 CA ILE A 30 8.993 7.839 -1.398 1.00 0.00 C ATOM 486 C ILE A 30 10.056 6.743 -1.595 1.00 0.00 C ATOM 487 O ILE A 30 10.328 5.969 -0.696 1.00 0.00 O ATOM 488 CB ILE A 30 9.564 8.940 -0.493 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.490 10.019 -0.215 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.791 9.570 -1.158 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.363 11.012 -1.382 1.00 0.00 C ATOM 0 H ILE A 30 7.942 6.859 0.190 1.00 0.00 H new ATOM 0 HA ILE A 30 8.722 8.244 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 30 9.862 8.499 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.528 9.538 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.745 10.560 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.194 10.351 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.551 8.805 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.503 10.003 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.599 11.753 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.318 11.513 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.082 10.475 -2.288 1.00 0.00 H new ATOM 503 N ASP A 31 10.667 6.667 -2.761 1.00 0.00 N ATOM 504 CA ASP A 31 11.711 5.620 -2.991 1.00 0.00 C ATOM 505 C ASP A 31 13.086 6.126 -2.533 1.00 0.00 C ATOM 506 O ASP A 31 13.248 7.267 -2.145 1.00 0.00 O ATOM 507 CB ASP A 31 11.768 5.266 -4.478 1.00 0.00 C ATOM 508 CG ASP A 31 10.582 4.369 -4.838 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.611 4.377 -4.098 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.673 3.676 -5.837 1.00 0.00 O ATOM 0 H ASP A 31 10.486 7.282 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 31 11.450 4.733 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.745 6.175 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.704 4.756 -4.705 1.00 0.00 H new ATOM 515 N SER A 32 14.075 5.273 -2.589 1.00 0.00 N ATOM 516 CA SER A 32 15.453 5.667 -2.175 1.00 0.00 C ATOM 517 C SER A 32 16.029 6.632 -3.207 1.00 0.00 C ATOM 518 O SER A 32 17.139 7.110 -3.079 1.00 0.00 O ATOM 519 CB SER A 32 16.346 4.425 -2.105 1.00 0.00 C ATOM 520 OG SER A 32 15.963 3.625 -0.996 1.00 0.00 O ATOM 0 H SER A 32 13.985 4.308 -2.908 1.00 0.00 H new ATOM 0 HA SER A 32 15.413 6.144 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.260 3.851 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.391 4.721 -2.009 1.00 0.00 H new ATOM 0 HG SER A 32 16.534 2.830 -0.954 1.00 0.00 H new ATOM 526 N PHE A 33 15.289 6.893 -4.248 1.00 0.00 N ATOM 527 CA PHE A 33 15.780 7.792 -5.324 1.00 0.00 C ATOM 528 C PHE A 33 15.199 9.193 -5.119 1.00 0.00 C ATOM 529 O PHE A 33 15.634 10.150 -5.730 1.00 0.00 O ATOM 530 CB PHE A 33 15.317 7.220 -6.665 1.00 0.00 C ATOM 531 CG PHE A 33 15.968 5.864 -6.902 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.643 4.756 -6.089 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.883 5.707 -7.953 1.00 0.00 C ATOM 534 CE1 PHE A 33 16.234 3.510 -6.334 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.473 4.461 -8.192 1.00 0.00 C ATOM 536 CZ PHE A 33 17.149 3.363 -7.385 1.00 0.00 C ATOM 0 H PHE A 33 14.353 6.516 -4.399 1.00 0.00 H new ATOM 0 HA PHE A 33 16.868 7.860 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.232 7.118 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.578 7.905 -7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.939 4.869 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.133 6.550 -8.580 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.984 2.663 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.180 4.346 -9.000 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.605 2.402 -7.573 1.00 0.00 H new ATOM 546 N GLY A 34 14.235 9.328 -4.243 1.00 0.00 N ATOM 547 CA GLY A 34 13.645 10.672 -3.971 1.00 0.00 C ATOM 548 C GLY A 34 12.441 10.912 -4.877 1.00 0.00 C ATOM 549 O GLY A 34 11.750 11.904 -4.753 1.00 0.00 O ATOM 0 H GLY A 34 13.831 8.562 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.342 10.740 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.394 11.446 -4.137 1.00 0.00 H new ATOM 553 N GLU A 35 12.183 10.020 -5.793 1.00 0.00 N ATOM 554 CA GLU A 35 11.019 10.210 -6.710 1.00 0.00 C ATOM 555 C GLU A 35 9.751 9.633 -6.051 1.00 0.00 C ATOM 556 O GLU A 35 9.837 8.723 -5.254 1.00 0.00 O ATOM 557 CB GLU A 35 11.313 9.486 -8.029 1.00 0.00 C ATOM 558 CG GLU A 35 11.321 7.971 -7.811 1.00 0.00 C ATOM 559 CD GLU A 35 11.740 7.278 -9.112 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.919 7.305 -9.423 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.871 6.737 -9.777 1.00 0.00 O ATOM 0 H GLU A 35 12.725 9.170 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 35 10.858 11.270 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.561 9.750 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.277 9.809 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.010 7.711 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.332 7.630 -7.505 1.00 0.00 H new ATOM 568 N PRO A 36 8.580 10.148 -6.370 1.00 0.00 N ATOM 569 CA PRO A 36 7.300 9.643 -5.779 1.00 0.00 C ATOM 570 C PRO A 36 6.827 8.334 -6.434 1.00 0.00 C ATOM 571 O PRO A 36 7.149 8.043 -7.568 1.00 0.00 O ATOM 572 CB PRO A 36 6.312 10.781 -6.062 1.00 0.00 C ATOM 573 CG PRO A 36 6.804 11.399 -7.330 1.00 0.00 C ATOM 574 CD PRO A 36 8.334 11.264 -7.309 1.00 0.00 C ATOM 0 HA PRO A 36 7.402 9.403 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.295 10.405 -6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.297 11.505 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.381 10.894 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.507 12.446 -7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.729 11.046 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.812 12.184 -6.971 1.00 0.00 H new ATOM 582 N GLN A 37 6.054 7.549 -5.725 1.00 0.00 N ATOM 583 CA GLN A 37 5.544 6.264 -6.299 1.00 0.00 C ATOM 584 C GLN A 37 4.171 5.953 -5.698 1.00 0.00 C ATOM 585 O GLN A 37 3.815 6.442 -4.644 1.00 0.00 O ATOM 586 CB GLN A 37 6.516 5.105 -5.957 1.00 0.00 C ATOM 587 CG GLN A 37 7.582 4.899 -7.064 1.00 0.00 C ATOM 588 CD GLN A 37 8.857 5.673 -6.735 1.00 0.00 C ATOM 589 OE1 GLN A 37 9.910 5.377 -7.265 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.809 6.655 -5.878 1.00 0.00 N ATOM 0 H GLN A 37 5.753 7.743 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 37 5.467 6.364 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.012 5.315 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.949 4.184 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.810 3.838 -7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.186 5.231 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.924 6.902 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.656 7.176 -5.652 1.00 0.00 H new ATOM 599 N PHE A 38 3.414 5.113 -6.357 1.00 0.00 N ATOM 600 CA PHE A 38 2.074 4.722 -5.833 1.00 0.00 C ATOM 601 C PHE A 38 1.913 3.210 -6.012 1.00 0.00 C ATOM 602 O PHE A 38 2.432 2.639 -6.951 1.00 0.00 O ATOM 603 CB PHE A 38 0.960 5.405 -6.632 1.00 0.00 C ATOM 604 CG PHE A 38 1.139 6.901 -6.645 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.032 7.485 -7.546 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.393 7.705 -5.774 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.184 8.876 -7.579 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.545 9.095 -5.804 1.00 0.00 C ATOM 609 CZ PHE A 38 1.441 9.682 -6.708 1.00 0.00 C ATOM 0 H PHE A 38 3.671 4.679 -7.243 1.00 0.00 H new ATOM 0 HA PHE A 38 2.004 5.017 -4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.958 5.027 -7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.008 5.155 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.605 6.863 -8.217 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.299 7.252 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.874 9.328 -8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.028 9.716 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.558 10.755 -6.733 1.00 0.00 H new ATOM 619 N VAL A 39 1.181 2.561 -5.138 1.00 0.00 N ATOM 620 CA VAL A 39 0.958 1.088 -5.268 1.00 0.00 C ATOM 621 C VAL A 39 -0.549 0.837 -5.349 1.00 0.00 C ATOM 622 O VAL A 39 -1.327 1.535 -4.737 1.00 0.00 O ATOM 623 CB VAL A 39 1.527 0.367 -4.050 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.055 0.379 -4.101 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.054 1.066 -2.782 1.00 0.00 C ATOM 0 H VAL A 39 0.725 2.993 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 39 1.456 0.714 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 39 1.180 -0.666 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.452 -0.138 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.393 -0.126 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.411 1.409 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.460 0.552 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.398 2.100 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.035 1.047 -2.740 1.00 0.00 H new ATOM 635 N TYR A 40 -0.966 -0.146 -6.107 1.00 0.00 N ATOM 636 CA TYR A 40 -2.431 -0.441 -6.250 1.00 0.00 C ATOM 637 C TYR A 40 -2.738 -1.826 -5.680 1.00 0.00 C ATOM 638 O TYR A 40 -1.902 -2.708 -5.676 1.00 0.00 O ATOM 639 CB TYR A 40 -2.800 -0.431 -7.736 1.00 0.00 C ATOM 640 CG TYR A 40 -2.676 0.970 -8.292 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.415 1.505 -8.578 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.823 1.729 -8.533 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.303 2.798 -9.107 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.715 3.022 -9.060 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.454 3.558 -9.348 1.00 0.00 C ATOM 646 OH TYR A 40 -2.346 4.833 -9.870 1.00 0.00 O ATOM 0 H TYR A 40 -0.352 -0.763 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.004 0.313 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.146 -1.108 -8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.819 -0.794 -7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.526 0.920 -8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.797 1.317 -8.312 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.329 3.208 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.605 3.606 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.240 5.220 -9.976 1.00 0.00 H new ATOM 656 N SER A 41 -3.938 -2.028 -5.198 1.00 0.00 N ATOM 657 CA SER A 41 -4.283 -3.365 -4.633 1.00 0.00 C ATOM 658 C SER A 41 -5.787 -3.457 -4.369 1.00 0.00 C ATOM 659 O SER A 41 -6.423 -2.489 -4.002 1.00 0.00 O ATOM 660 CB SER A 41 -3.526 -3.573 -3.325 1.00 0.00 C ATOM 661 OG SER A 41 -3.927 -4.805 -2.741 1.00 0.00 O ATOM 0 H SER A 41 -4.685 -1.334 -5.171 1.00 0.00 H new ATOM 0 HA SER A 41 -4.001 -4.136 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.452 -3.578 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.728 -2.750 -2.640 1.00 0.00 H new ATOM 0 HG SER A 41 -3.441 -4.942 -1.901 1.00 0.00 H new ATOM 667 N TRP A 42 -6.360 -4.620 -4.547 1.00 0.00 N ATOM 668 CA TRP A 42 -7.821 -4.789 -4.300 1.00 0.00 C ATOM 669 C TRP A 42 -8.040 -5.256 -2.862 1.00 0.00 C ATOM 670 O TRP A 42 -9.135 -5.618 -2.478 1.00 0.00 O ATOM 671 CB TRP A 42 -8.375 -5.838 -5.260 1.00 0.00 C ATOM 672 CG TRP A 42 -8.394 -5.285 -6.640 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.448 -5.514 -7.573 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.388 -4.420 -7.263 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.796 -4.846 -8.730 1.00 0.00 N ATOM 676 CE2 TRP A 42 -8.983 -4.159 -8.590 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.590 -3.843 -6.810 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.739 -3.356 -9.443 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.354 -3.032 -7.666 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.929 -2.791 -8.979 1.00 0.00 C ATOM 0 H TRP A 42 -5.875 -5.463 -4.854 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.332 -3.839 -4.458 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.761 -6.738 -5.226 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.382 -6.127 -4.958 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.564 -6.120 -7.438 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.241 -4.859 -9.586 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.926 -4.025 -5.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.407 -3.172 -10.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.274 -2.592 -7.310 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.522 -2.168 -9.633 1.00 0.00 H new ATOM 691 N LYS A 43 -7.004 -5.251 -2.063 1.00 0.00 N ATOM 692 CA LYS A 43 -7.135 -5.694 -0.640 1.00 0.00 C ATOM 693 C LYS A 43 -6.467 -4.675 0.274 1.00 0.00 C ATOM 694 O LYS A 43 -5.361 -4.234 0.033 1.00 0.00 O ATOM 695 CB LYS A 43 -6.453 -7.058 -0.466 1.00 0.00 C ATOM 696 CG LYS A 43 -7.189 -8.121 -1.308 1.00 0.00 C ATOM 697 CD LYS A 43 -7.020 -9.522 -0.695 1.00 0.00 C ATOM 698 CE LYS A 43 -5.589 -10.027 -0.897 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.690 -9.389 0.106 1.00 0.00 N ATOM 0 H LYS A 43 -6.066 -4.957 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.191 -5.777 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.409 -6.995 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.458 -7.346 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.248 -7.872 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.801 -8.116 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.254 -9.490 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.725 -10.214 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.557 -11.111 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.249 -9.794 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.081 -8.691 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.262 -8.913 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.098 -10.117 0.554 1.00 0.00 H new ATOM 713 N LEU A 44 -7.137 -4.306 1.329 1.00 0.00 N ATOM 714 CA LEU A 44 -6.566 -3.321 2.284 1.00 0.00 C ATOM 715 C LEU A 44 -5.761 -4.084 3.338 1.00 0.00 C ATOM 716 O LEU A 44 -4.671 -3.695 3.708 1.00 0.00 O ATOM 717 CB LEU A 44 -7.720 -2.560 2.948 1.00 0.00 C ATOM 718 CG LEU A 44 -7.177 -1.522 3.937 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.513 -0.357 3.182 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.337 -0.993 4.782 1.00 0.00 C ATOM 0 H LEU A 44 -8.066 -4.650 1.572 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.915 -2.612 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.323 -2.065 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.374 -3.260 3.468 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.429 -1.990 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.133 0.371 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.689 -0.737 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.247 0.121 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.964 -0.253 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.079 -0.530 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.796 -1.818 5.327 1.00 0.00 H new ATOM 732 N VAL A 45 -6.299 -5.175 3.812 1.00 0.00 N ATOM 733 CA VAL A 45 -5.601 -6.008 4.841 1.00 0.00 C ATOM 734 C VAL A 45 -5.440 -7.435 4.294 1.00 0.00 C ATOM 735 O VAL A 45 -6.214 -7.885 3.474 1.00 0.00 O ATOM 736 CB VAL A 45 -6.429 -6.031 6.131 1.00 0.00 C ATOM 737 CG1 VAL A 45 -6.425 -4.636 6.763 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.868 -6.441 5.811 1.00 0.00 C ATOM 0 H VAL A 45 -7.210 -5.533 3.526 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.620 -5.587 5.061 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.995 -6.749 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.013 -4.651 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.400 -4.344 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.858 -3.919 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.455 -6.457 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.304 -5.725 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.872 -7.434 5.361 1.00 0.00 H new ATOM 748 N ALA A 46 -4.429 -8.138 4.723 1.00 0.00 N ATOM 749 CA ALA A 46 -4.200 -9.523 4.208 1.00 0.00 C ATOM 750 C ALA A 46 -5.371 -10.447 4.565 1.00 0.00 C ATOM 751 O ALA A 46 -5.427 -11.578 4.126 1.00 0.00 O ATOM 752 CB ALA A 46 -2.904 -10.081 4.805 1.00 0.00 C ATOM 0 H ALA A 46 -3.748 -7.815 5.410 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.121 -9.478 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.736 -11.091 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.067 -9.444 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.985 -10.106 5.892 1.00 0.00 H new ATOM 758 N THR A 47 -6.306 -9.990 5.355 1.00 0.00 N ATOM 759 CA THR A 47 -7.462 -10.869 5.723 1.00 0.00 C ATOM 760 C THR A 47 -8.598 -10.684 4.709 1.00 0.00 C ATOM 761 O THR A 47 -9.544 -11.448 4.677 1.00 0.00 O ATOM 762 CB THR A 47 -7.959 -10.496 7.124 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.444 -9.160 7.122 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.808 -10.625 8.122 1.00 0.00 C ATOM 0 H THR A 47 -6.323 -9.054 5.760 1.00 0.00 H new ATOM 0 HA THR A 47 -7.141 -11.911 5.715 1.00 0.00 H new ATOM 0 HB THR A 47 -8.767 -11.168 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.762 -8.926 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.160 -10.360 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.444 -11.652 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.999 -9.955 7.833 1.00 0.00 H new ATOM 772 N ASP A 48 -8.509 -9.682 3.877 1.00 0.00 N ATOM 773 CA ASP A 48 -9.580 -9.457 2.864 1.00 0.00 C ATOM 774 C ASP A 48 -9.482 -10.507 1.747 1.00 0.00 C ATOM 775 O ASP A 48 -8.548 -11.284 1.690 1.00 0.00 O ATOM 776 CB ASP A 48 -9.434 -8.053 2.276 1.00 0.00 C ATOM 777 CG ASP A 48 -9.803 -7.016 3.339 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.287 -7.414 4.387 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.598 -5.842 3.086 1.00 0.00 O ATOM 0 H ASP A 48 -7.742 -9.010 3.855 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.554 -9.550 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.411 -7.894 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.080 -7.943 1.405 1.00 0.00 H new ATOM 784 N ARG A 49 -10.450 -10.536 0.856 1.00 0.00 N ATOM 785 CA ARG A 49 -10.438 -11.528 -0.268 1.00 0.00 C ATOM 786 C ARG A 49 -10.911 -10.817 -1.547 1.00 0.00 C ATOM 787 O ARG A 49 -11.871 -10.071 -1.526 1.00 0.00 O ATOM 788 CB ARG A 49 -11.391 -12.686 0.086 1.00 0.00 C ATOM 789 CG ARG A 49 -11.200 -13.889 -0.875 1.00 0.00 C ATOM 790 CD ARG A 49 -12.167 -13.792 -2.071 1.00 0.00 C ATOM 791 NE ARG A 49 -13.465 -14.478 -1.741 1.00 0.00 N ATOM 792 CZ ARG A 49 -13.523 -15.755 -1.480 1.00 0.00 C ATOM 793 NH1 ARG A 49 -12.456 -16.498 -1.577 1.00 0.00 N ATOM 794 NH2 ARG A 49 -14.663 -16.299 -1.147 1.00 0.00 N ATOM 0 H ARG A 49 -11.254 -9.908 0.861 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.436 -11.928 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.212 -13.006 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.423 -12.338 0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.171 -13.914 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.372 -14.821 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.351 -12.746 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.717 -14.251 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.324 -13.929 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.568 -16.082 -1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.509 -17.496 -1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.505 -15.726 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.711 -17.297 -0.942 1.00 0.00 H new ATOM 808 N VAL A 50 -10.241 -11.019 -2.660 1.00 0.00 N ATOM 809 CA VAL A 50 -10.663 -10.323 -3.916 1.00 0.00 C ATOM 810 C VAL A 50 -11.836 -11.069 -4.576 1.00 0.00 C ATOM 811 O VAL A 50 -11.915 -12.280 -4.508 1.00 0.00 O ATOM 812 CB VAL A 50 -9.490 -10.275 -4.910 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.264 -9.654 -4.248 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.143 -11.687 -5.401 1.00 0.00 C ATOM 0 H VAL A 50 -9.429 -11.629 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.974 -9.311 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.790 -9.665 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.440 -9.626 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.499 -8.640 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.975 -10.252 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.311 -11.634 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.861 -12.309 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.010 -12.123 -5.898 1.00 0.00 H new ATOM 824 N PRO A 51 -12.731 -10.362 -5.234 1.00 0.00 N ATOM 825 CA PRO A 51 -13.890 -10.997 -5.929 1.00 0.00 C ATOM 826 C PRO A 51 -13.430 -11.838 -7.130 1.00 0.00 C ATOM 827 O PRO A 51 -12.466 -11.514 -7.797 1.00 0.00 O ATOM 828 CB PRO A 51 -14.755 -9.802 -6.375 1.00 0.00 C ATOM 829 CG PRO A 51 -13.804 -8.651 -6.463 1.00 0.00 C ATOM 830 CD PRO A 51 -12.747 -8.895 -5.388 1.00 0.00 C ATOM 0 HA PRO A 51 -14.435 -11.689 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.231 -9.996 -7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.552 -9.602 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.349 -8.596 -7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.320 -7.705 -6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.772 -8.514 -5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.006 -8.398 -4.453 1.00 0.00 H new ATOM 838 N ALA A 52 -14.107 -12.921 -7.396 1.00 0.00 N ATOM 839 CA ALA A 52 -13.716 -13.802 -8.537 1.00 0.00 C ATOM 840 C ALA A 52 -13.381 -12.963 -9.775 1.00 0.00 C ATOM 841 O ALA A 52 -13.988 -11.941 -10.031 1.00 0.00 O ATOM 842 CB ALA A 52 -14.869 -14.750 -8.863 1.00 0.00 C ATOM 0 H ALA A 52 -14.921 -13.237 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.833 -14.374 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.586 -15.394 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.094 -15.363 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.751 -14.170 -9.136 1.00 0.00 H new ATOM 848 N GLY A 53 -12.414 -13.398 -10.548 1.00 0.00 N ATOM 849 CA GLY A 53 -12.017 -12.648 -11.782 1.00 0.00 C ATOM 850 C GLY A 53 -10.696 -11.921 -11.527 1.00 0.00 C ATOM 851 O GLY A 53 -9.884 -11.754 -12.416 1.00 0.00 O ATOM 0 H GLY A 53 -11.878 -14.248 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.911 -13.335 -12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.793 -11.932 -12.052 1.00 0.00 H new ATOM 855 N LYS A 54 -10.473 -11.491 -10.312 1.00 0.00 N ATOM 856 CA LYS A 54 -9.210 -10.777 -9.976 1.00 0.00 C ATOM 857 C LYS A 54 -8.217 -11.772 -9.364 1.00 0.00 C ATOM 858 O LYS A 54 -8.586 -12.615 -8.571 1.00 0.00 O ATOM 859 CB LYS A 54 -9.529 -9.681 -8.959 1.00 0.00 C ATOM 860 CG LYS A 54 -10.820 -8.965 -9.359 1.00 0.00 C ATOM 861 CD LYS A 54 -10.701 -8.451 -10.793 1.00 0.00 C ATOM 862 CE LYS A 54 -11.828 -7.456 -11.073 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.140 -8.161 -11.004 1.00 0.00 N ATOM 0 H LYS A 54 -11.120 -11.606 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.773 -10.337 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.636 -10.114 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.707 -8.967 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.666 -9.647 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.012 -8.135 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.733 -7.971 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.754 -9.283 -11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.800 -6.644 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.695 -7.007 -12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.895 -7.522 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.115 -9.002 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.327 -8.451 -10.023 1.00 0.00 H new ATOM 877 N ARG A 55 -6.965 -11.683 -9.721 1.00 0.00 N ATOM 878 CA ARG A 55 -5.962 -12.628 -9.151 1.00 0.00 C ATOM 879 C ARG A 55 -5.597 -12.199 -7.726 1.00 0.00 C ATOM 880 O ARG A 55 -5.655 -11.036 -7.382 1.00 0.00 O ATOM 881 CB ARG A 55 -4.700 -12.632 -10.027 1.00 0.00 C ATOM 882 CG ARG A 55 -4.269 -11.182 -10.373 1.00 0.00 C ATOM 883 CD ARG A 55 -4.649 -10.840 -11.818 1.00 0.00 C ATOM 884 NE ARG A 55 -3.727 -11.543 -12.756 1.00 0.00 N ATOM 885 CZ ARG A 55 -4.069 -11.713 -14.003 1.00 0.00 C ATOM 886 NH1 ARG A 55 -5.241 -11.313 -14.418 1.00 0.00 N ATOM 887 NH2 ARG A 55 -3.244 -12.294 -14.832 1.00 0.00 N ATOM 0 H ARG A 55 -6.594 -10.999 -10.381 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.388 -13.631 -9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.891 -13.143 -9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.890 -13.189 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.748 -10.481 -9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.193 -11.074 -10.238 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.679 -11.137 -12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.592 -9.763 -11.975 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.828 -11.891 -12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.888 -10.868 -13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.509 -11.446 -15.393 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.333 -12.614 -14.504 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.511 -12.427 -15.807 1.00 0.00 H new ATOM 901 N ASP A 56 -5.216 -13.132 -6.894 1.00 0.00 N ATOM 902 CA ASP A 56 -4.844 -12.779 -5.494 1.00 0.00 C ATOM 903 C ASP A 56 -3.728 -11.739 -5.520 1.00 0.00 C ATOM 904 O ASP A 56 -2.923 -11.703 -6.429 1.00 0.00 O ATOM 905 CB ASP A 56 -4.341 -14.025 -4.761 1.00 0.00 C ATOM 906 CG ASP A 56 -5.477 -15.041 -4.626 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.584 -14.626 -4.330 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.218 -16.219 -4.812 1.00 0.00 O ATOM 0 H ASP A 56 -5.147 -14.123 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.718 -12.381 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.508 -14.468 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.966 -13.751 -3.775 1.00 0.00 H new ATOM 913 N CYS A 57 -3.661 -10.894 -4.525 1.00 0.00 N ATOM 914 CA CYS A 57 -2.589 -9.862 -4.487 1.00 0.00 C ATOM 915 C CYS A 57 -2.208 -9.593 -3.034 1.00 0.00 C ATOM 916 O CYS A 57 -2.933 -9.923 -2.118 1.00 0.00 O ATOM 917 CB CYS A 57 -3.086 -8.569 -5.145 1.00 0.00 C ATOM 918 SG CYS A 57 -4.806 -8.266 -4.667 1.00 0.00 S ATOM 0 H CYS A 57 -4.306 -10.876 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.716 -10.220 -5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.460 -7.730 -4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.008 -8.648 -6.229 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.355 -7.449 -5.516 1.00 0.00 H new ATOM 924 N ILE A 58 -1.069 -9.006 -2.817 1.00 0.00 N ATOM 925 CA ILE A 58 -0.620 -8.722 -1.429 1.00 0.00 C ATOM 926 C ILE A 58 -1.265 -7.423 -0.931 1.00 0.00 C ATOM 927 O ILE A 58 -1.175 -6.396 -1.571 1.00 0.00 O ATOM 928 CB ILE A 58 0.903 -8.586 -1.440 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.504 -9.896 -1.960 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.409 -8.308 -0.021 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.023 -9.761 -2.099 1.00 0.00 C ATOM 0 H ILE A 58 -0.423 -8.708 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.916 -9.530 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 58 1.200 -7.759 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.265 -10.711 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.064 -10.149 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.495 -8.212 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.967 -7.382 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.126 -9.132 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.439 -10.698 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.254 -8.959 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.458 -9.530 -1.127 1.00 0.00 H new ATOM 943 N SER A 59 -1.914 -7.458 0.208 1.00 0.00 N ATOM 944 CA SER A 59 -2.559 -6.219 0.742 1.00 0.00 C ATOM 945 C SER A 59 -1.493 -5.120 0.866 1.00 0.00 C ATOM 946 O SER A 59 -0.309 -5.397 0.866 1.00 0.00 O ATOM 947 CB SER A 59 -3.169 -6.518 2.114 1.00 0.00 C ATOM 948 OG SER A 59 -4.231 -7.448 1.954 1.00 0.00 O ATOM 0 H SER A 59 -2.024 -8.289 0.789 1.00 0.00 H new ATOM 0 HA SER A 59 -3.348 -5.884 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.410 -6.924 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.538 -5.600 2.570 1.00 0.00 H new ATOM 0 HG SER A 59 -5.087 -6.970 1.950 1.00 0.00 H new ATOM 954 N LEU A 60 -1.889 -3.875 0.946 1.00 0.00 N ATOM 955 CA LEU A 60 -0.876 -2.781 1.042 1.00 0.00 C ATOM 956 C LEU A 60 -0.109 -2.877 2.367 1.00 0.00 C ATOM 957 O LEU A 60 1.102 -2.787 2.400 1.00 0.00 O ATOM 958 CB LEU A 60 -1.574 -1.416 0.982 1.00 0.00 C ATOM 959 CG LEU A 60 -2.472 -1.326 -0.252 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.182 0.034 -0.266 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.629 -1.483 -1.527 1.00 0.00 C ATOM 0 H LEU A 60 -2.862 -3.570 0.949 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.182 -2.885 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.169 -1.265 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.829 -0.621 0.955 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.213 -2.125 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.823 0.101 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.788 0.137 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.440 0.832 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.276 -1.418 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.882 -0.691 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.130 -2.452 -1.516 1.00 0.00 H new ATOM 973 N ARG A 61 -0.809 -3.038 3.457 1.00 0.00 N ATOM 974 CA ARG A 61 -0.142 -3.112 4.800 1.00 0.00 C ATOM 975 C ARG A 61 1.128 -3.959 4.715 1.00 0.00 C ATOM 976 O ARG A 61 2.195 -3.530 5.106 1.00 0.00 O ATOM 977 CB ARG A 61 -1.100 -3.753 5.812 1.00 0.00 C ATOM 978 CG ARG A 61 -2.465 -3.020 5.814 1.00 0.00 C ATOM 979 CD ARG A 61 -2.517 -1.965 6.922 1.00 0.00 C ATOM 980 NE ARG A 61 -3.593 -0.974 6.590 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.510 -0.197 5.552 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.415 -0.159 4.843 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.515 0.573 5.239 1.00 0.00 N ATOM 0 H ARG A 61 -1.825 -3.123 3.480 1.00 0.00 H new ATOM 0 HA ARG A 61 0.119 -2.102 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.247 -4.805 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.661 -3.717 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.629 -2.545 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.270 -3.742 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.720 -2.436 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.554 -1.462 7.011 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.411 -0.908 7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.619 -0.741 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.355 0.453 4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.361 0.563 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.455 1.185 4.425 1.00 0.00 H new ATOM 997 N GLU A 62 1.029 -5.155 4.207 1.00 0.00 N ATOM 998 CA GLU A 62 2.245 -6.004 4.108 1.00 0.00 C ATOM 999 C GLU A 62 3.179 -5.401 3.056 1.00 0.00 C ATOM 1000 O GLU A 62 4.387 -5.453 3.188 1.00 0.00 O ATOM 1001 CB GLU A 62 1.850 -7.433 3.710 1.00 0.00 C ATOM 1002 CG GLU A 62 0.991 -8.059 4.812 1.00 0.00 C ATOM 1003 CD GLU A 62 1.830 -8.261 6.074 1.00 0.00 C ATOM 1004 OE1 GLU A 62 1.881 -7.346 6.880 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.408 -9.326 6.214 1.00 0.00 O ATOM 0 H GLU A 62 0.168 -5.577 3.860 1.00 0.00 H new ATOM 0 HA GLU A 62 2.754 -6.042 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.299 -7.419 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.744 -8.035 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.139 -7.416 5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.590 -9.015 4.474 1.00 0.00 H new ATOM 1012 N LYS A 63 2.634 -4.818 2.018 1.00 0.00 N ATOM 1013 CA LYS A 63 3.504 -4.203 0.974 1.00 0.00 C ATOM 1014 C LYS A 63 4.199 -2.967 1.568 1.00 0.00 C ATOM 1015 O LYS A 63 5.371 -2.738 1.344 1.00 0.00 O ATOM 1016 CB LYS A 63 2.648 -3.811 -0.257 1.00 0.00 C ATOM 1017 CG LYS A 63 3.375 -4.195 -1.557 1.00 0.00 C ATOM 1018 CD LYS A 63 2.697 -3.526 -2.758 1.00 0.00 C ATOM 1019 CE LYS A 63 1.227 -3.946 -2.827 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.719 -3.770 -4.219 1.00 0.00 N ATOM 0 H LYS A 63 1.631 -4.742 1.850 1.00 0.00 H new ATOM 0 HA LYS A 63 4.261 -4.917 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.681 -4.313 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.451 -2.739 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.420 -3.889 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.366 -5.278 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.771 -2.442 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.208 -3.807 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.121 -4.986 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.635 -3.347 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.236 -3.358 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.354 -3.135 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.684 -4.694 -4.695 1.00 0.00 H new ATOM 1034 N ILE A 64 3.486 -2.171 2.326 1.00 0.00 N ATOM 1035 CA ILE A 64 4.114 -0.954 2.926 1.00 0.00 C ATOM 1036 C ILE A 64 5.428 -1.351 3.621 1.00 0.00 C ATOM 1037 O ILE A 64 6.464 -0.763 3.384 1.00 0.00 O ATOM 1038 CB ILE A 64 3.122 -0.300 3.940 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.240 0.772 3.245 1.00 0.00 C ATOM 1040 CG2 ILE A 64 3.885 0.361 5.103 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.027 0.129 2.576 1.00 0.00 C ATOM 0 H ILE A 64 2.502 -2.310 2.554 1.00 0.00 H new ATOM 0 HA ILE A 64 4.338 -0.226 2.146 1.00 0.00 H new ATOM 0 HB ILE A 64 2.484 -1.095 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.909 1.507 3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.830 1.307 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.174 0.810 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.475 -0.392 5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.547 1.134 4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.425 0.900 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.362 -0.588 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.427 -0.385 3.327 1.00 0.00 H new ATOM 1053 N ALA A 65 5.397 -2.328 4.478 1.00 0.00 N ATOM 1054 CA ALA A 65 6.653 -2.730 5.172 1.00 0.00 C ATOM 1055 C ALA A 65 7.711 -3.113 4.134 1.00 0.00 C ATOM 1056 O ALA A 65 8.889 -2.882 4.316 1.00 0.00 O ATOM 1057 CB ALA A 65 6.381 -3.935 6.076 1.00 0.00 C ATOM 0 H ALA A 65 4.566 -2.863 4.729 1.00 0.00 H new ATOM 0 HA ALA A 65 7.011 -1.895 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.302 -4.226 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.628 -3.670 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.020 -4.768 5.473 1.00 0.00 H new ATOM 1063 N GLU A 66 7.299 -3.718 3.054 1.00 0.00 N ATOM 1064 CA GLU A 66 8.283 -4.141 2.020 1.00 0.00 C ATOM 1065 C GLU A 66 8.830 -2.937 1.238 1.00 0.00 C ATOM 1066 O GLU A 66 10.016 -2.848 0.990 1.00 0.00 O ATOM 1067 CB GLU A 66 7.597 -5.107 1.049 1.00 0.00 C ATOM 1068 CG GLU A 66 8.652 -5.839 0.216 1.00 0.00 C ATOM 1069 CD GLU A 66 9.345 -6.900 1.076 1.00 0.00 C ATOM 1070 OE1 GLU A 66 10.266 -6.547 1.794 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.944 -8.051 1.000 1.00 0.00 O ATOM 0 H GLU A 66 6.325 -3.937 2.844 1.00 0.00 H new ATOM 0 HA GLU A 66 9.121 -4.628 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.994 -5.827 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.919 -4.559 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.184 -6.308 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.386 -5.129 -0.164 1.00 0.00 H new ATOM 1078 N LEU A 67 8.000 -2.019 0.820 1.00 0.00 N ATOM 1079 CA LEU A 67 8.536 -0.865 0.034 1.00 0.00 C ATOM 1080 C LEU A 67 9.383 0.057 0.923 1.00 0.00 C ATOM 1081 O LEU A 67 10.423 0.504 0.523 1.00 0.00 O ATOM 1082 CB LEU A 67 7.386 -0.062 -0.612 1.00 0.00 C ATOM 1083 CG LEU A 67 6.974 -0.678 -1.967 1.00 0.00 C ATOM 1084 CD1 LEU A 67 8.128 -0.582 -2.995 1.00 0.00 C ATOM 1085 CD2 LEU A 67 6.570 -2.140 -1.755 1.00 0.00 C ATOM 0 H LEU A 67 6.993 -2.014 0.983 1.00 0.00 H new ATOM 0 HA LEU A 67 9.171 -1.267 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.528 -0.045 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.697 0.972 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 67 6.127 -0.119 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.811 -1.023 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.389 0.465 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.998 -1.120 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.278 -2.579 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.413 -2.694 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.730 -2.189 -1.062 1.00 0.00 H new ATOM 1097 N GLN A 68 8.958 0.376 2.104 1.00 0.00 N ATOM 1098 CA GLN A 68 9.788 1.303 2.935 1.00 0.00 C ATOM 1099 C GLN A 68 11.046 0.586 3.469 1.00 0.00 C ATOM 1100 O GLN A 68 11.994 1.225 3.877 1.00 0.00 O ATOM 1101 CB GLN A 68 8.954 1.836 4.105 1.00 0.00 C ATOM 1102 CG GLN A 68 7.694 2.516 3.561 1.00 0.00 C ATOM 1103 CD GLN A 68 6.825 3.000 4.722 1.00 0.00 C ATOM 1104 OE1 GLN A 68 6.914 2.490 5.822 1.00 0.00 O ATOM 1105 NE2 GLN A 68 5.980 3.976 4.521 1.00 0.00 N ATOM 0 H GLN A 68 8.092 0.048 2.532 1.00 0.00 H new ATOM 0 HA GLN A 68 10.109 2.135 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.681 1.019 4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.539 2.545 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.969 3.358 2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.132 1.818 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.905 4.404 3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.395 4.310 5.287 1.00 0.00 H new