USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 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 40 CYS SG : rot 61:sc= -0.101 USER MOD Set 1.2: A 65 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0924 USER MOD Single : A 17 GLN : amide:sc= -1.19 K(o=-1.2,f=-3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0347 F(o=-0.69,f=-0.035) USER MOD Single : A 25 THR OG1 : rot -14:sc= 0.648 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 0.804 (180deg=-0.0107) USER MOD Single : A 37 ASN : amide:sc= -0.305 K(o=-0.31,f=-0.82) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -138:sc= 0.665 USER MOD Single : A 43 TYR OH : rot -11:sc= 0.481 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -120:sc= -1.14 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.29) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 75 ASN : amide:sc= -3.94 K(o=-3.9,f=-9.3!) USER MOD Single : A 76 MET CE :methyl -116:sc= -2.46 (180deg=-4.46!) USER MOD Single : A 84 SER OG : rot 51:sc= 0.793 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.67 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.411 F(o=-2.7,f=-0.41) USER MOD Single : A 100 SER OG : rot 180:sc= 0.393 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -109:sc= -1.29 (180deg=-7.67!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 46:sc= -0.452 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00471 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 17.910 6.836 -9.952 1.00 0.00 N ATOM 26 CA ILE A 3 18.954 6.327 -10.833 1.00 0.00 C ATOM 27 C ILE A 3 19.876 5.364 -10.092 1.00 0.00 C ATOM 28 O ILE A 3 21.088 5.356 -10.310 1.00 0.00 O ATOM 29 CB ILE A 3 19.796 7.470 -11.429 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.892 8.627 -11.861 1.00 0.00 C ATOM 31 CG2 ILE A 3 20.618 6.965 -12.605 1.00 0.00 C ATOM 32 CD1 ILE A 3 19.645 9.786 -12.474 1.00 0.00 C ATOM 0 HA ILE A 3 18.453 5.797 -11.643 1.00 0.00 H new ATOM 0 HB ILE A 3 20.480 7.835 -10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.162 8.257 -12.581 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.334 8.984 -10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.208 7.785 -13.015 1.00 0.00 H new ATOM 0 HG22 ILE A 3 21.285 6.171 -12.269 1.00 0.00 H new ATOM 0 HG23 ILE A 3 19.951 6.577 -13.375 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.941 10.569 -12.756 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.356 10.182 -11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.181 9.444 -13.359 1.00 0.00 H new ATOM 44 N LYS A 4 19.294 4.551 -9.217 1.00 0.00 N ATOM 45 CA LYS A 4 20.062 3.581 -8.445 1.00 0.00 C ATOM 46 C LYS A 4 21.025 4.283 -7.493 1.00 0.00 C ATOM 47 O LYS A 4 21.813 3.636 -6.805 1.00 0.00 O ATOM 48 CB LYS A 4 20.839 2.654 -9.382 1.00 0.00 C ATOM 49 CG LYS A 4 22.290 3.059 -9.572 1.00 0.00 C ATOM 50 CD LYS A 4 23.234 2.099 -8.867 1.00 0.00 C ATOM 51 CE LYS A 4 23.088 0.682 -9.401 1.00 0.00 C ATOM 52 NZ LYS A 4 24.378 -0.062 -9.359 1.00 0.00 N ATOM 0 H LYS A 4 18.292 4.545 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 4 19.363 2.988 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.803 1.639 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.345 2.636 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.525 3.086 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.441 4.067 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 4 24.262 2.435 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.031 2.108 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.341 0.148 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.722 0.716 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.237 -1.023 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 25.084 0.434 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.715 -0.117 -8.377 1.00 0.00 H new ATOM 66 N GLY A 5 20.954 5.610 -7.458 1.00 0.00 N ATOM 67 CA GLY A 5 21.824 6.377 -6.585 1.00 0.00 C ATOM 68 C GLY A 5 23.001 6.981 -7.326 1.00 0.00 C ATOM 69 O GLY A 5 23.026 8.182 -7.592 1.00 0.00 O ATOM 0 H GLY A 5 20.310 6.168 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.249 7.173 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.193 5.733 -5.787 1.00 0.00 H new ATOM 73 N VAL A 6 23.980 6.146 -7.658 1.00 0.00 N ATOM 74 CA VAL A 6 25.166 6.604 -8.372 1.00 0.00 C ATOM 75 C VAL A 6 24.890 6.742 -9.865 1.00 0.00 C ATOM 76 O VAL A 6 23.922 6.185 -10.383 1.00 0.00 O ATOM 77 CB VAL A 6 26.352 5.643 -8.167 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.664 6.331 -8.510 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.372 5.120 -6.738 1.00 0.00 C ATOM 0 H VAL A 6 23.975 5.149 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 6 25.424 7.580 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 6 26.229 4.794 -8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.490 5.636 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.645 6.651 -9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.799 7.200 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.216 4.442 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.470 5.956 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.444 4.586 -6.533 1.00 0.00 H new ATOM 89 N THR A 7 25.749 7.489 -10.553 1.00 0.00 N ATOM 90 CA THR A 7 25.598 7.701 -11.987 1.00 0.00 C ATOM 91 C THR A 7 24.359 8.536 -12.292 1.00 0.00 C ATOM 92 O THR A 7 23.344 8.434 -11.602 1.00 0.00 O ATOM 93 CB THR A 7 25.501 6.364 -12.746 1.00 0.00 C ATOM 94 OG1 THR A 7 26.136 5.326 -11.991 1.00 0.00 O ATOM 95 CG2 THR A 7 26.152 6.472 -14.117 1.00 0.00 C ATOM 0 H THR A 7 26.556 7.957 -10.140 1.00 0.00 H new ATOM 0 HA THR A 7 26.486 8.237 -12.322 1.00 0.00 H new ATOM 0 HB THR A 7 24.447 6.122 -12.880 1.00 0.00 H new ATOM 0 HG1 THR A 7 26.069 4.479 -12.479 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.071 5.516 -14.634 1.00 0.00 H new ATOM 0 HG22 THR A 7 25.648 7.243 -14.699 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.204 6.734 -14.001 1.00 0.00 H new ATOM 103 N PHE A 8 24.449 9.361 -13.329 1.00 0.00 N ATOM 104 CA PHE A 8 23.334 10.215 -13.725 1.00 0.00 C ATOM 105 C PHE A 8 23.404 10.544 -15.214 1.00 0.00 C ATOM 106 O PHE A 8 24.437 10.983 -15.716 1.00 0.00 O ATOM 107 CB PHE A 8 23.337 11.507 -12.905 1.00 0.00 C ATOM 108 CG PHE A 8 24.706 12.097 -12.721 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.527 11.668 -11.691 1.00 0.00 C ATOM 110 CD2 PHE A 8 25.171 13.082 -13.578 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.787 12.209 -11.520 1.00 0.00 C ATOM 112 CE2 PHE A 8 26.430 13.626 -13.412 1.00 0.00 C ATOM 113 CZ PHE A 8 27.239 13.190 -12.380 1.00 0.00 C ATOM 0 H PHE A 8 25.281 9.457 -13.911 1.00 0.00 H new ATOM 0 HA PHE A 8 22.408 9.674 -13.533 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.697 12.241 -13.395 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.901 11.308 -11.926 1.00 0.00 H new ATOM 0 HD1 PHE A 8 25.178 10.902 -11.014 1.00 0.00 H new ATOM 0 HD2 PHE A 8 24.542 13.428 -14.385 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.418 11.865 -10.714 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.782 14.391 -14.088 1.00 0.00 H new ATOM 0 HZ PHE A 8 28.223 13.616 -12.246 1.00 0.00 H new ATOM 123 N GLY A 9 22.294 10.327 -15.914 1.00 0.00 N ATOM 124 CA GLY A 9 22.250 10.604 -17.338 1.00 0.00 C ATOM 125 C GLY A 9 22.688 9.418 -18.174 1.00 0.00 C ATOM 126 O GLY A 9 23.576 9.540 -19.017 1.00 0.00 O ATOM 0 H GLY A 9 21.425 9.965 -15.521 1.00 0.00 H new ATOM 0 HA2 GLY A 9 21.236 10.887 -17.619 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.892 11.457 -17.559 1.00 0.00 H new ATOM 130 N GLU A 10 22.065 8.268 -17.939 1.00 0.00 N ATOM 131 CA GLU A 10 22.399 7.055 -18.676 1.00 0.00 C ATOM 132 C GLU A 10 21.434 6.841 -19.839 1.00 0.00 C ATOM 133 O GLU A 10 21.825 6.908 -21.004 1.00 0.00 O ATOM 134 CB GLU A 10 22.369 5.841 -17.745 1.00 0.00 C ATOM 135 CG GLU A 10 23.678 5.605 -17.010 1.00 0.00 C ATOM 136 CD GLU A 10 24.749 5.010 -17.902 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.605 3.834 -18.297 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.732 5.719 -18.205 1.00 0.00 O ATOM 0 H GLU A 10 21.327 8.151 -17.245 1.00 0.00 H new ATOM 0 HA GLU A 10 23.405 7.171 -19.078 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.571 5.973 -17.015 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.124 4.953 -18.328 1.00 0.00 H new ATOM 0 HG2 GLU A 10 24.035 6.550 -16.600 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.501 4.938 -16.166 1.00 0.00 H new ATOM 145 N ASP A 11 20.173 6.584 -19.513 1.00 0.00 N ATOM 146 CA ASP A 11 19.151 6.361 -20.529 1.00 0.00 C ATOM 147 C ASP A 11 17.908 7.198 -20.243 1.00 0.00 C ATOM 148 O ASP A 11 17.616 8.159 -20.955 1.00 0.00 O ATOM 149 CB ASP A 11 18.778 4.879 -20.592 1.00 0.00 C ATOM 150 CG ASP A 11 19.036 4.275 -21.959 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.421 4.742 -22.939 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.853 3.334 -22.047 1.00 0.00 O ATOM 0 H ASP A 11 19.833 6.525 -18.553 1.00 0.00 H new ATOM 0 HA ASP A 11 19.560 6.666 -21.492 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.349 4.331 -19.842 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.724 4.761 -20.339 1.00 0.00 H new ATOM 157 N THR A 12 17.178 6.827 -19.196 1.00 0.00 N ATOM 158 CA THR A 12 15.966 7.541 -18.816 1.00 0.00 C ATOM 159 C THR A 12 15.377 6.980 -17.527 1.00 0.00 C ATOM 160 O THR A 12 15.884 6.004 -16.975 1.00 0.00 O ATOM 161 CB THR A 12 14.901 7.470 -19.927 1.00 0.00 C ATOM 162 OG1 THR A 12 13.830 8.376 -19.638 1.00 0.00 O ATOM 163 CG2 THR A 12 14.354 6.057 -20.063 1.00 0.00 C ATOM 0 H THR A 12 17.406 6.035 -18.595 1.00 0.00 H new ATOM 0 HA THR A 12 16.249 8.582 -18.659 1.00 0.00 H new ATOM 0 HB THR A 12 15.371 7.753 -20.869 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.158 8.326 -20.350 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.604 6.032 -20.853 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.167 5.375 -20.312 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.899 5.751 -19.121 1.00 0.00 H new ATOM 171 N VAL A 13 14.304 7.603 -17.052 1.00 0.00 N ATOM 172 CA VAL A 13 13.644 7.164 -15.828 1.00 0.00 C ATOM 173 C VAL A 13 12.687 6.010 -16.103 1.00 0.00 C ATOM 174 O VAL A 13 12.282 5.785 -17.243 1.00 0.00 O ATOM 175 CB VAL A 13 12.866 8.316 -15.165 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.638 8.028 -13.689 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.603 9.634 -15.352 1.00 0.00 C ATOM 0 H VAL A 13 13.873 8.414 -17.496 1.00 0.00 H new ATOM 0 HA VAL A 13 14.428 6.828 -15.149 1.00 0.00 H new ATOM 0 HB VAL A 13 11.893 8.398 -15.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.087 8.853 -13.238 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.064 7.107 -13.582 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.599 7.917 -13.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.039 10.437 -14.877 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.591 9.566 -14.897 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.708 9.844 -16.416 1.00 0.00 H new ATOM 187 N TRP A 14 12.328 5.283 -15.051 1.00 0.00 N ATOM 188 CA TRP A 14 11.417 4.152 -15.178 1.00 0.00 C ATOM 189 C TRP A 14 12.009 3.075 -16.081 1.00 0.00 C ATOM 190 O TRP A 14 11.295 2.200 -16.569 1.00 0.00 O ATOM 191 CB TRP A 14 10.070 4.616 -15.734 1.00 0.00 C ATOM 192 CG TRP A 14 9.097 5.025 -14.670 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.106 6.190 -13.956 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.975 4.271 -14.198 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.057 6.205 -13.069 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.348 5.040 -13.198 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.439 3.023 -14.524 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.213 4.599 -12.523 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.312 2.586 -13.853 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.709 3.373 -12.863 1.00 0.00 C ATOM 0 H TRP A 14 12.654 5.457 -14.100 1.00 0.00 H new ATOM 0 HA TRP A 14 11.266 3.726 -14.186 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.234 5.456 -16.409 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.633 3.812 -16.326 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.831 6.982 -14.072 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.841 6.961 -12.419 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.897 2.410 -15.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.747 5.203 -11.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.889 1.622 -14.096 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.828 3.005 -12.358 1.00 0.00 H new ATOM 211 N GLU A 15 13.319 3.145 -16.298 1.00 0.00 N ATOM 212 CA GLU A 15 14.006 2.175 -17.143 1.00 0.00 C ATOM 213 C GLU A 15 15.347 1.776 -16.534 1.00 0.00 C ATOM 214 O GLU A 15 15.646 0.591 -16.386 1.00 0.00 O ATOM 215 CB GLU A 15 14.221 2.749 -18.545 1.00 0.00 C ATOM 216 CG GLU A 15 13.147 2.341 -19.541 1.00 0.00 C ATOM 217 CD GLU A 15 13.604 1.233 -20.470 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.256 0.284 -19.987 1.00 0.00 O ATOM 219 OE2 GLU A 15 13.309 1.315 -21.681 1.00 0.00 O ATOM 0 H GLU A 15 13.925 3.863 -15.901 1.00 0.00 H new ATOM 0 HA GLU A 15 13.380 1.286 -17.214 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.252 3.837 -18.482 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.192 2.423 -18.917 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.260 2.013 -18.999 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.856 3.209 -20.132 1.00 0.00 H new ATOM 226 N VAL A 16 16.151 2.774 -16.183 1.00 0.00 N ATOM 227 CA VAL A 16 17.460 2.529 -15.589 1.00 0.00 C ATOM 228 C VAL A 16 17.429 2.748 -14.081 1.00 0.00 C ATOM 229 O VAL A 16 18.242 2.187 -13.346 1.00 0.00 O ATOM 230 CB VAL A 16 18.536 3.441 -16.207 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.294 4.892 -15.821 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.925 2.991 -15.779 1.00 0.00 C ATOM 0 H VAL A 16 15.919 3.760 -16.300 1.00 0.00 H new ATOM 0 HA VAL A 16 17.712 1.489 -15.797 1.00 0.00 H new ATOM 0 HB VAL A 16 18.472 3.364 -17.292 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.065 5.521 -16.267 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.315 5.206 -16.183 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.329 4.991 -14.736 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.673 3.646 -16.225 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.004 3.037 -14.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.095 1.967 -16.112 1.00 0.00 H new ATOM 242 N GLN A 17 16.486 3.567 -13.626 1.00 0.00 N ATOM 243 CA GLN A 17 16.350 3.859 -12.205 1.00 0.00 C ATOM 244 C GLN A 17 16.078 2.586 -11.410 1.00 0.00 C ATOM 245 O GLN A 17 16.476 2.468 -10.252 1.00 0.00 O ATOM 246 CB GLN A 17 15.223 4.868 -11.976 1.00 0.00 C ATOM 247 CG GLN A 17 13.864 4.223 -11.758 1.00 0.00 C ATOM 248 CD GLN A 17 12.744 5.240 -11.662 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.968 6.397 -11.306 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.527 4.813 -11.982 1.00 0.00 N ATOM 0 H GLN A 17 15.806 4.040 -14.221 1.00 0.00 H new ATOM 0 HA GLN A 17 17.289 4.288 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.467 5.483 -11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.165 5.537 -12.835 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.656 3.536 -12.578 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.890 3.630 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.386 3.845 -12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.734 5.453 -11.938 1.00 0.00 H new ATOM 259 N GLY A 18 15.395 1.636 -12.041 1.00 0.00 N ATOM 260 CA GLY A 18 15.081 0.384 -11.377 1.00 0.00 C ATOM 261 C GLY A 18 14.037 0.550 -10.290 1.00 0.00 C ATOM 262 O GLY A 18 14.145 -0.049 -9.220 1.00 0.00 O ATOM 0 H GLY A 18 15.054 1.711 -12.999 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.723 -0.335 -12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.990 -0.031 -10.943 1.00 0.00 H new ATOM 266 N TYR A 19 13.025 1.365 -10.564 1.00 0.00 N ATOM 267 CA TYR A 19 11.959 1.612 -9.600 1.00 0.00 C ATOM 268 C TYR A 19 10.667 2.009 -10.306 1.00 0.00 C ATOM 269 O TYR A 19 10.654 2.253 -11.513 1.00 0.00 O ATOM 270 CB TYR A 19 12.375 2.708 -8.618 1.00 0.00 C ATOM 271 CG TYR A 19 13.349 2.238 -7.562 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.912 1.528 -6.451 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.709 2.502 -7.676 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.798 1.097 -5.484 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.603 2.074 -6.714 1.00 0.00 C ATOM 276 CZ TYR A 19 15.143 1.372 -5.620 1.00 0.00 C ATOM 277 OH TYR A 19 16.030 0.943 -4.659 1.00 0.00 O ATOM 0 H TYR A 19 12.920 1.866 -11.446 1.00 0.00 H new ATOM 0 HA TYR A 19 11.781 0.689 -9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.824 3.531 -9.174 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.485 3.103 -8.129 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.860 1.309 -6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.073 3.051 -8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.440 0.548 -4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.656 2.288 -6.818 1.00 0.00 H new ATOM 0 HH TYR A 19 16.938 1.217 -4.906 1.00 0.00 H new ATOM 287 N LYS A 20 9.580 2.073 -9.545 1.00 0.00 N ATOM 288 CA LYS A 20 8.281 2.443 -10.094 1.00 0.00 C ATOM 289 C LYS A 20 7.421 3.134 -9.041 1.00 0.00 C ATOM 290 O LYS A 20 7.865 3.361 -7.916 1.00 0.00 O ATOM 291 CB LYS A 20 7.557 1.203 -10.624 1.00 0.00 C ATOM 292 CG LYS A 20 8.085 0.716 -11.963 1.00 0.00 C ATOM 293 CD LYS A 20 9.116 -0.386 -11.788 1.00 0.00 C ATOM 294 CE LYS A 20 8.997 -1.439 -12.879 1.00 0.00 C ATOM 295 NZ LYS A 20 9.360 -0.894 -14.217 1.00 0.00 N ATOM 0 H LYS A 20 9.573 1.873 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 20 8.447 3.139 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.648 0.399 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.495 1.427 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.257 0.348 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.531 1.550 -12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.117 0.045 -11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.987 -0.855 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.646 -2.282 -12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.976 -1.820 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.266 -1.642 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.725 -0.105 -14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.343 -0.554 -14.198 1.00 0.00 H new ATOM 309 N ASN A 21 6.189 3.466 -9.413 1.00 0.00 N ATOM 310 CA ASN A 21 5.268 4.132 -8.500 1.00 0.00 C ATOM 311 C ASN A 21 3.935 3.392 -8.438 1.00 0.00 C ATOM 312 O ASN A 21 3.246 3.246 -9.447 1.00 0.00 O ATOM 313 CB ASN A 21 5.040 5.580 -8.937 1.00 0.00 C ATOM 314 CG ASN A 21 6.294 6.425 -8.814 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.282 6.142 -9.654 1.00 0.00 O flip ATOM 316 ND2 ASN A 21 6.372 7.321 -7.973 1.00 0.00 N flip ATOM 0 H ASN A 21 5.806 3.285 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 21 5.714 4.126 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.695 5.595 -9.971 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.248 6.019 -8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.587 7.503 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.222 7.881 -7.902 1.00 0.00 H new ATOM 323 N VAL A 22 3.577 2.927 -7.245 1.00 0.00 N ATOM 324 CA VAL A 22 2.326 2.204 -7.050 1.00 0.00 C ATOM 325 C VAL A 22 1.447 2.896 -6.013 1.00 0.00 C ATOM 326 O VAL A 22 1.889 3.176 -4.899 1.00 0.00 O ATOM 327 CB VAL A 22 2.580 0.752 -6.604 1.00 0.00 C ATOM 328 CG1 VAL A 22 1.265 0.040 -6.329 1.00 0.00 C ATOM 329 CG2 VAL A 22 3.390 0.007 -7.655 1.00 0.00 C ATOM 0 H VAL A 22 4.136 3.038 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 22 1.812 2.196 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 22 3.156 0.769 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.465 -0.985 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.726 0.563 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.660 0.030 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.561 -1.017 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.842 -0.002 -8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.348 0.507 -7.797 1.00 0.00 H new ATOM 339 N ARG A 23 0.202 3.168 -6.388 1.00 0.00 N ATOM 340 CA ARG A 23 -0.739 3.827 -5.490 1.00 0.00 C ATOM 341 C ARG A 23 -1.730 2.823 -4.908 1.00 0.00 C ATOM 342 O ARG A 23 -1.987 1.775 -5.501 1.00 0.00 O ATOM 343 CB ARG A 23 -1.494 4.933 -6.231 1.00 0.00 C ATOM 344 CG ARG A 23 -1.144 6.333 -5.754 1.00 0.00 C ATOM 345 CD ARG A 23 -2.257 6.926 -4.904 1.00 0.00 C ATOM 346 NE ARG A 23 -2.978 7.984 -5.606 1.00 0.00 N ATOM 347 CZ ARG A 23 -4.148 8.467 -5.204 1.00 0.00 C ATOM 348 NH1 ARG A 23 -4.726 7.990 -4.110 1.00 0.00 N ATOM 349 NH2 ARG A 23 -4.743 9.431 -5.896 1.00 0.00 N ATOM 0 H ARG A 23 -0.179 2.943 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.172 4.269 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.279 4.857 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.566 4.774 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.221 6.301 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.960 6.976 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.955 6.138 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.835 7.325 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.560 8.373 -6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.272 7.250 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.625 8.363 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.302 9.802 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.642 9.801 -5.586 1.00 0.00 H new ATOM 363 N ILE A 24 -2.281 3.151 -3.744 1.00 0.00 N ATOM 364 CA ILE A 24 -3.243 2.278 -3.083 1.00 0.00 C ATOM 365 C ILE A 24 -4.509 3.041 -2.707 1.00 0.00 C ATOM 366 O ILE A 24 -4.458 4.031 -1.975 1.00 0.00 O ATOM 367 CB ILE A 24 -2.646 1.640 -1.815 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.183 1.259 -2.050 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.457 0.421 -1.403 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.985 0.311 -3.212 1.00 0.00 C ATOM 0 H ILE A 24 -2.078 4.014 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.494 1.490 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.687 2.369 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.604 2.165 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.786 0.800 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.022 -0.019 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.485 0.720 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.445 -0.313 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.076 0.084 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.536 -0.611 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.352 0.776 -4.127 1.00 0.00 H new ATOM 382 N THR A 25 -5.647 2.573 -3.210 1.00 0.00 N ATOM 383 CA THR A 25 -6.927 3.210 -2.926 1.00 0.00 C ATOM 384 C THR A 25 -8.088 2.264 -3.215 1.00 0.00 C ATOM 385 O THR A 25 -8.651 2.272 -4.309 1.00 0.00 O ATOM 386 CB THR A 25 -7.110 4.496 -3.754 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.049 5.415 -3.472 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.450 5.150 -3.449 1.00 0.00 C ATOM 0 H THR A 25 -5.708 1.755 -3.816 1.00 0.00 H new ATOM 0 HA THR A 25 -6.925 3.466 -1.866 1.00 0.00 H new ATOM 0 HB THR A 25 -7.087 4.228 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.574 5.128 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.557 6.056 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.256 4.458 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.498 5.405 -2.390 1.00 0.00 H new ATOM 396 N PHE A 26 -8.441 1.450 -2.225 1.00 0.00 N ATOM 397 CA PHE A 26 -9.535 0.498 -2.373 1.00 0.00 C ATOM 398 C PHE A 26 -10.621 0.750 -1.331 1.00 0.00 C ATOM 399 O PHE A 26 -11.653 1.350 -1.628 1.00 0.00 O ATOM 400 CB PHE A 26 -9.013 -0.935 -2.245 1.00 0.00 C ATOM 401 CG PHE A 26 -10.097 -1.974 -2.292 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.776 -2.233 -3.472 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.435 -2.693 -1.157 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.774 -3.188 -3.517 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.432 -3.650 -1.197 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.101 -3.898 -2.379 1.00 0.00 C ATOM 0 H PHE A 26 -7.985 1.431 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.969 0.633 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.301 -1.127 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.468 -1.032 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.523 -1.683 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.914 -2.504 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.298 -3.379 -4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.687 -4.203 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.879 -4.646 -2.413 1.00 0.00 H new ATOM 416 N GLU A 27 -10.379 0.286 -0.109 1.00 0.00 N ATOM 417 CA GLU A 27 -11.336 0.461 0.977 1.00 0.00 C ATOM 418 C GLU A 27 -10.853 -0.237 2.245 1.00 0.00 C ATOM 419 O GLU A 27 -10.589 -1.440 2.244 1.00 0.00 O ATOM 420 CB GLU A 27 -12.706 -0.086 0.571 1.00 0.00 C ATOM 421 CG GLU A 27 -13.790 0.978 0.502 1.00 0.00 C ATOM 422 CD GLU A 27 -15.187 0.392 0.557 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.374 -0.634 1.245 1.00 0.00 O ATOM 424 OE2 GLU A 27 -16.094 0.959 -0.087 1.00 0.00 O ATOM 0 H GLU A 27 -9.529 -0.213 0.153 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.424 1.528 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.621 -0.570 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.007 -0.854 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.661 1.677 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.676 1.549 -0.420 1.00 0.00 H new ATOM 431 N LEU A 28 -10.740 0.526 3.327 1.00 0.00 N ATOM 432 CA LEU A 28 -10.288 -0.018 4.603 1.00 0.00 C ATOM 433 C LEU A 28 -11.185 0.452 5.743 1.00 0.00 C ATOM 434 O LEU A 28 -11.745 -0.359 6.481 1.00 0.00 O ATOM 435 CB LEU A 28 -8.841 0.397 4.873 1.00 0.00 C ATOM 436 CG LEU A 28 -7.788 -0.703 4.726 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.925 -1.395 3.379 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.389 -0.128 4.893 1.00 0.00 C ATOM 0 H LEU A 28 -10.955 1.523 3.346 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.343 -1.105 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.585 1.210 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.782 0.796 5.886 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.950 -1.443 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.168 -2.174 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.916 -1.841 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.789 -0.666 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.653 -0.925 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.215 0.632 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.296 0.321 5.882 1.00 0.00 H new ATOM 450 N ASP A 29 -11.319 1.767 5.880 1.00 0.00 N ATOM 451 CA ASP A 29 -12.151 2.346 6.928 1.00 0.00 C ATOM 452 C ASP A 29 -13.163 3.324 6.341 1.00 0.00 C ATOM 453 O ASP A 29 -13.253 3.482 5.124 1.00 0.00 O ATOM 454 CB ASP A 29 -11.281 3.056 7.966 1.00 0.00 C ATOM 455 CG ASP A 29 -11.850 2.952 9.368 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.670 3.816 9.741 1.00 0.00 O ATOM 457 OD2 ASP A 29 -11.475 2.005 10.091 1.00 0.00 O ATOM 0 H ASP A 29 -10.862 2.452 5.278 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.695 1.536 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.279 2.627 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.181 4.107 7.695 1.00 0.00 H new ATOM 462 N GLU A 30 -13.923 3.977 7.214 1.00 0.00 N ATOM 463 CA GLU A 30 -14.931 4.939 6.780 1.00 0.00 C ATOM 464 C GLU A 30 -14.592 6.342 7.274 1.00 0.00 C ATOM 465 O GLU A 30 -14.737 7.321 6.543 1.00 0.00 O ATOM 466 CB GLU A 30 -16.313 4.527 7.289 1.00 0.00 C ATOM 467 CG GLU A 30 -16.971 3.441 6.454 1.00 0.00 C ATOM 468 CD GLU A 30 -18.249 3.912 5.788 1.00 0.00 C ATOM 469 OE1 GLU A 30 -19.259 4.090 6.500 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.239 4.102 4.554 1.00 0.00 O ATOM 0 H GLU A 30 -13.861 3.858 8.225 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.942 4.949 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.223 4.178 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.961 5.403 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.272 3.101 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -17.191 2.583 7.089 1.00 0.00 H new ATOM 477 N ARG A 31 -14.140 6.431 8.521 1.00 0.00 N ATOM 478 CA ARG A 31 -13.782 7.714 9.115 1.00 0.00 C ATOM 479 C ARG A 31 -12.283 7.971 8.991 1.00 0.00 C ATOM 480 O ARG A 31 -11.851 9.109 8.810 1.00 0.00 O ATOM 481 CB ARG A 31 -14.197 7.752 10.587 1.00 0.00 C ATOM 482 CG ARG A 31 -15.608 7.245 10.835 1.00 0.00 C ATOM 483 CD ARG A 31 -16.647 8.149 10.189 1.00 0.00 C ATOM 484 NE ARG A 31 -17.998 7.852 10.657 1.00 0.00 N ATOM 485 CZ ARG A 31 -19.057 8.598 10.365 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.923 9.679 9.610 1.00 0.00 N ATOM 487 NH2 ARG A 31 -20.255 8.262 10.827 1.00 0.00 N ATOM 0 H ARG A 31 -14.013 5.630 9.140 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.313 8.497 8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.497 7.152 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.119 8.776 10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.707 6.234 10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.791 7.187 11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.408 9.190 10.408 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.605 8.033 9.106 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.136 7.026 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.004 9.940 9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.738 10.250 9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.363 7.430 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.068 8.836 10.602 1.00 0.00 H new ATOM 501 N VAL A 32 -11.495 6.905 9.090 1.00 0.00 N ATOM 502 CA VAL A 32 -10.045 7.015 8.988 1.00 0.00 C ATOM 503 C VAL A 32 -9.525 6.301 7.745 1.00 0.00 C ATOM 504 O VAL A 32 -8.611 5.480 7.825 1.00 0.00 O ATOM 505 CB VAL A 32 -9.349 6.430 10.231 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.549 7.340 11.433 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.867 5.029 10.521 1.00 0.00 C ATOM 0 H VAL A 32 -11.837 5.956 9.241 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.813 8.078 8.917 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.280 6.363 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.050 6.910 12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.126 8.322 11.220 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.614 7.441 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.365 4.631 11.402 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.941 5.068 10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.667 4.383 9.666 1.00 0.00 H new ATOM 517 N ASP A 33 -10.114 6.619 6.598 1.00 0.00 N ATOM 518 CA ASP A 33 -9.709 6.010 5.336 1.00 0.00 C ATOM 519 C ASP A 33 -8.870 6.978 4.509 1.00 0.00 C ATOM 520 O ASP A 33 -7.925 6.575 3.830 1.00 0.00 O ATOM 521 CB ASP A 33 -10.939 5.572 4.539 1.00 0.00 C ATOM 522 CG ASP A 33 -11.606 6.729 3.821 1.00 0.00 C ATOM 523 OD1 ASP A 33 -12.303 7.519 4.490 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.430 6.844 2.590 1.00 0.00 O ATOM 0 H ASP A 33 -10.873 7.295 6.516 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.101 5.134 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.646 4.816 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.657 5.104 5.212 1.00 0.00 H new ATOM 529 N LYS A 34 -9.222 8.258 4.568 1.00 0.00 N ATOM 530 CA LYS A 34 -8.502 9.285 3.825 1.00 0.00 C ATOM 531 C LYS A 34 -7.079 9.441 4.352 1.00 0.00 C ATOM 532 O LYS A 34 -6.191 9.914 3.641 1.00 0.00 O ATOM 533 CB LYS A 34 -9.240 10.623 3.918 1.00 0.00 C ATOM 534 CG LYS A 34 -8.918 11.409 5.177 1.00 0.00 C ATOM 535 CD LYS A 34 -9.505 10.748 6.413 1.00 0.00 C ATOM 536 CE LYS A 34 -11.025 10.744 6.375 1.00 0.00 C ATOM 537 NZ LYS A 34 -11.610 11.554 7.479 1.00 0.00 N ATOM 0 H LYS A 34 -10.002 8.609 5.123 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.453 8.975 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.988 11.229 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.314 10.440 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.837 11.494 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.309 12.422 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.139 9.724 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.164 11.274 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.365 11.137 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.387 9.718 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.496 11.993 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.806 10.939 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.938 12.296 7.759 1.00 0.00 H new ATOM 551 N VAL A 35 -6.867 9.039 5.601 1.00 0.00 N ATOM 552 CA VAL A 35 -5.551 9.131 6.222 1.00 0.00 C ATOM 553 C VAL A 35 -4.565 8.172 5.564 1.00 0.00 C ATOM 554 O VAL A 35 -3.351 8.372 5.627 1.00 0.00 O ATOM 555 CB VAL A 35 -5.619 8.826 7.730 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.232 8.890 8.351 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.568 9.790 8.425 1.00 0.00 C ATOM 0 H VAL A 35 -7.590 8.646 6.203 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.206 10.155 6.082 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.003 7.815 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.300 8.672 9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.584 8.156 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.816 9.888 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.604 9.560 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.215 10.812 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.566 9.690 7.998 1.00 0.00 H new ATOM 567 N LEU A 36 -5.094 7.129 4.934 1.00 0.00 N ATOM 568 CA LEU A 36 -4.261 6.137 4.263 1.00 0.00 C ATOM 569 C LEU A 36 -4.455 6.195 2.752 1.00 0.00 C ATOM 570 O LEU A 36 -3.970 5.332 2.020 1.00 0.00 O ATOM 571 CB LEU A 36 -4.589 4.734 4.778 1.00 0.00 C ATOM 572 CG LEU A 36 -5.859 4.094 4.217 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.509 2.977 3.246 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.734 3.568 5.345 1.00 0.00 C ATOM 0 H LEU A 36 -6.096 6.948 4.874 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.218 6.364 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.747 4.080 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.677 4.778 5.864 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.419 4.856 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.425 2.533 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.923 3.382 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.927 2.214 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.634 3.116 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.183 2.820 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.014 4.391 6.003 1.00 0.00 H new ATOM 586 N ASN A 37 -5.165 7.219 2.290 1.00 0.00 N ATOM 587 CA ASN A 37 -5.422 7.390 0.865 1.00 0.00 C ATOM 588 C ASN A 37 -4.869 8.723 0.369 1.00 0.00 C ATOM 589 O ASN A 37 -4.469 8.848 -0.788 1.00 0.00 O ATOM 590 CB ASN A 37 -6.924 7.312 0.583 1.00 0.00 C ATOM 591 CG ASN A 37 -7.462 5.899 0.701 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.812 4.940 0.284 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.654 5.765 1.269 1.00 0.00 N ATOM 0 H ASN A 37 -5.573 7.943 2.882 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.917 6.585 0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.456 7.960 1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.123 7.691 -0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.067 4.839 1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.157 6.588 1.600 1.00 0.00 H new ATOM 600 N GLU A 38 -4.849 9.715 1.253 1.00 0.00 N ATOM 601 CA GLU A 38 -4.345 11.038 0.905 1.00 0.00 C ATOM 602 C GLU A 38 -3.077 11.362 1.689 1.00 0.00 C ATOM 603 O GLU A 38 -2.289 12.221 1.293 1.00 0.00 O ATOM 604 CB GLU A 38 -5.411 12.102 1.176 1.00 0.00 C ATOM 605 CG GLU A 38 -5.451 12.569 2.621 1.00 0.00 C ATOM 606 CD GLU A 38 -4.713 13.876 2.833 1.00 0.00 C ATOM 607 OE1 GLU A 38 -4.812 14.761 1.958 1.00 0.00 O ATOM 608 OE2 GLU A 38 -4.036 14.014 3.873 1.00 0.00 O ATOM 0 H GLU A 38 -5.176 9.628 2.215 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.104 11.038 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.227 12.961 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.388 11.702 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.489 12.688 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.013 11.801 3.259 1.00 0.00 H new ATOM 615 N LYS A 39 -2.886 10.667 2.806 1.00 0.00 N ATOM 616 CA LYS A 39 -1.715 10.878 3.648 1.00 0.00 C ATOM 617 C LYS A 39 -0.682 9.776 3.429 1.00 0.00 C ATOM 618 O LYS A 39 0.427 9.838 3.961 1.00 0.00 O ATOM 619 CB LYS A 39 -2.122 10.924 5.122 1.00 0.00 C ATOM 620 CG LYS A 39 -1.613 12.153 5.856 1.00 0.00 C ATOM 621 CD LYS A 39 -1.944 12.095 7.337 1.00 0.00 C ATOM 622 CE LYS A 39 -3.234 12.838 7.650 1.00 0.00 C ATOM 623 NZ LYS A 39 -2.974 14.227 8.119 1.00 0.00 N ATOM 0 H LYS A 39 -3.528 9.952 3.149 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.267 11.833 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.209 10.894 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.746 10.031 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.534 12.234 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.055 13.048 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.037 11.055 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.125 12.528 7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.862 12.867 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.790 12.295 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.878 14.700 8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.396 14.199 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.466 14.754 7.380 1.00 0.00 H new ATOM 637 N CYS A 40 -1.053 8.772 2.643 1.00 0.00 N ATOM 638 CA CYS A 40 -0.159 7.657 2.354 1.00 0.00 C ATOM 639 C CYS A 40 -0.824 6.655 1.416 1.00 0.00 C ATOM 640 O CYS A 40 -1.406 5.666 1.860 1.00 0.00 O ATOM 641 CB CYS A 40 0.258 6.961 3.650 1.00 0.00 C ATOM 642 SG CYS A 40 2.001 7.182 4.079 1.00 0.00 S ATOM 0 H CYS A 40 -1.967 8.707 2.194 1.00 0.00 H new ATOM 0 HA CYS A 40 0.729 8.054 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.357 7.339 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.049 5.895 3.561 1.00 0.00 H new ATOM 0 HG CYS A 40 2.248 8.446 4.254 1.00 0.00 H new ATOM 648 N SER A 41 -0.736 6.920 0.116 1.00 0.00 N ATOM 649 CA SER A 41 -1.335 6.045 -0.885 1.00 0.00 C ATOM 650 C SER A 41 -0.308 5.645 -1.940 1.00 0.00 C ATOM 651 O SER A 41 -0.300 4.509 -2.416 1.00 0.00 O ATOM 652 CB SER A 41 -2.526 6.736 -1.551 1.00 0.00 C ATOM 653 OG SER A 41 -2.222 8.084 -1.866 1.00 0.00 O ATOM 0 H SER A 41 -0.256 7.734 -0.268 1.00 0.00 H new ATOM 0 HA SER A 41 -1.684 5.143 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.800 6.200 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.389 6.700 -0.887 1.00 0.00 H new ATOM 0 HG SER A 41 -2.989 8.653 -1.645 1.00 0.00 H new ATOM 659 N VAL A 42 0.557 6.587 -2.302 1.00 0.00 N ATOM 660 CA VAL A 42 1.589 6.335 -3.301 1.00 0.00 C ATOM 661 C VAL A 42 2.857 5.788 -2.654 1.00 0.00 C ATOM 662 O VAL A 42 3.307 6.291 -1.625 1.00 0.00 O ATOM 663 CB VAL A 42 1.936 7.614 -4.085 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.266 8.752 -3.132 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.091 7.356 -5.041 1.00 0.00 C ATOM 0 H VAL A 42 0.564 7.532 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 42 1.187 5.593 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 42 1.066 7.906 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.509 9.647 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.406 8.952 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.120 8.474 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.323 8.271 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.967 7.039 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.812 6.573 -5.746 1.00 0.00 H new ATOM 675 N TYR A 43 3.428 4.757 -3.265 1.00 0.00 N ATOM 676 CA TYR A 43 4.644 4.140 -2.749 1.00 0.00 C ATOM 677 C TYR A 43 5.569 3.720 -3.888 1.00 0.00 C ATOM 678 O TYR A 43 5.124 3.496 -5.014 1.00 0.00 O ATOM 679 CB TYR A 43 4.298 2.926 -1.884 1.00 0.00 C ATOM 680 CG TYR A 43 3.315 3.233 -0.777 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.952 3.317 -1.035 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.749 3.438 0.527 1.00 0.00 C ATOM 683 CE1 TYR A 43 1.051 3.597 -0.026 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.854 3.717 1.542 1.00 0.00 C ATOM 685 CZ TYR A 43 1.506 3.796 1.260 1.00 0.00 C ATOM 686 OH TYR A 43 0.612 4.075 2.268 1.00 0.00 O ATOM 0 H TYR A 43 3.068 4.330 -4.119 1.00 0.00 H new ATOM 0 HA TYR A 43 5.163 4.878 -2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.884 2.143 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.214 2.529 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.591 3.161 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.804 3.378 0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.005 3.660 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.208 3.872 2.551 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.267 4.269 1.881 1.00 0.00 H new ATOM 696 N THR A 44 6.859 3.615 -3.585 1.00 0.00 N ATOM 697 CA THR A 44 7.848 3.223 -4.582 1.00 0.00 C ATOM 698 C THR A 44 8.137 1.728 -4.511 1.00 0.00 C ATOM 699 O THR A 44 7.997 1.108 -3.457 1.00 0.00 O ATOM 700 CB THR A 44 9.166 3.998 -4.400 1.00 0.00 C ATOM 701 OG1 THR A 44 8.905 5.278 -3.813 1.00 0.00 O ATOM 702 CG2 THR A 44 9.874 4.182 -5.734 1.00 0.00 C ATOM 0 H THR A 44 7.243 3.796 -2.658 1.00 0.00 H new ATOM 0 HA THR A 44 7.426 3.463 -5.558 1.00 0.00 H new ATOM 0 HB THR A 44 9.813 3.421 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.748 5.764 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.802 4.732 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.098 3.206 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.230 4.740 -6.414 1.00 0.00 H new ATOM 710 N VAL A 45 8.542 1.154 -5.639 1.00 0.00 N ATOM 711 CA VAL A 45 8.853 -0.269 -5.704 1.00 0.00 C ATOM 712 C VAL A 45 9.992 -0.538 -6.682 1.00 0.00 C ATOM 713 O VAL A 45 10.009 -0.006 -7.791 1.00 0.00 O ATOM 714 CB VAL A 45 7.622 -1.093 -6.127 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.973 -0.489 -7.362 1.00 0.00 C ATOM 716 CG2 VAL A 45 8.012 -2.543 -6.375 1.00 0.00 C ATOM 0 H VAL A 45 8.662 1.653 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 45 9.158 -0.573 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 45 6.894 -1.069 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.105 -1.085 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.657 0.531 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.691 -0.480 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.131 -3.111 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.758 -2.589 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.427 -2.970 -5.462 1.00 0.00 H new ATOM 726 N GLU A 46 10.940 -1.370 -6.262 1.00 0.00 N ATOM 727 CA GLU A 46 12.083 -1.709 -7.101 1.00 0.00 C ATOM 728 C GLU A 46 11.659 -2.602 -8.263 1.00 0.00 C ATOM 729 O GLU A 46 10.473 -2.880 -8.446 1.00 0.00 O ATOM 730 CB GLU A 46 13.162 -2.411 -6.272 1.00 0.00 C ATOM 731 CG GLU A 46 12.636 -3.572 -5.446 1.00 0.00 C ATOM 732 CD GLU A 46 13.746 -4.431 -4.873 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.267 -5.295 -5.608 1.00 0.00 O ATOM 734 OE2 GLU A 46 14.094 -4.239 -3.689 1.00 0.00 O ATOM 0 H GLU A 46 10.939 -1.821 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 46 12.491 -0.783 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.942 -2.776 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.627 -1.684 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.024 -3.185 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.987 -4.190 -6.067 1.00 0.00 H new ATOM 741 N SER A 47 12.636 -3.049 -9.046 1.00 0.00 N ATOM 742 CA SER A 47 12.364 -3.907 -10.194 1.00 0.00 C ATOM 743 C SER A 47 12.353 -5.376 -9.783 1.00 0.00 C ATOM 744 O SER A 47 12.141 -6.262 -10.610 1.00 0.00 O ATOM 745 CB SER A 47 13.410 -3.679 -11.287 1.00 0.00 C ATOM 746 OG SER A 47 12.828 -3.768 -12.576 1.00 0.00 O ATOM 0 H SER A 47 13.623 -2.831 -8.907 1.00 0.00 H new ATOM 0 HA SER A 47 11.379 -3.649 -10.584 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.868 -2.698 -11.158 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.206 -4.417 -11.192 1.00 0.00 H new ATOM 0 HG SER A 47 13.516 -3.617 -13.257 1.00 0.00 H new ATOM 752 N GLY A 48 12.582 -5.627 -8.497 1.00 0.00 N ATOM 753 CA GLY A 48 12.594 -6.989 -7.998 1.00 0.00 C ATOM 754 C GLY A 48 11.730 -7.162 -6.765 1.00 0.00 C ATOM 755 O GLY A 48 12.241 -7.335 -5.657 1.00 0.00 O ATOM 0 H GLY A 48 12.759 -4.911 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.244 -7.662 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.619 -7.278 -7.763 1.00 0.00 H new ATOM 759 N THR A 49 10.415 -7.115 -6.954 1.00 0.00 N ATOM 760 CA THR A 49 9.478 -7.265 -5.848 1.00 0.00 C ATOM 761 C THR A 49 8.322 -8.184 -6.228 1.00 0.00 C ATOM 762 O THR A 49 8.015 -8.354 -7.407 1.00 0.00 O ATOM 763 CB THR A 49 8.911 -5.904 -5.403 1.00 0.00 C ATOM 764 OG1 THR A 49 9.848 -4.863 -5.701 1.00 0.00 O ATOM 765 CG2 THR A 49 8.604 -5.906 -3.913 1.00 0.00 C ATOM 0 H THR A 49 9.975 -6.974 -7.863 1.00 0.00 H new ATOM 0 HA THR A 49 10.034 -7.707 -5.021 1.00 0.00 H new ATOM 0 HB THR A 49 7.984 -5.725 -5.948 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.105 -4.407 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.205 -4.934 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.869 -6.680 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.518 -6.105 -3.353 1.00 0.00 H new ATOM 773 N GLU A 50 7.685 -8.773 -5.221 1.00 0.00 N ATOM 774 CA GLU A 50 6.562 -9.675 -5.452 1.00 0.00 C ATOM 775 C GLU A 50 5.264 -9.076 -4.918 1.00 0.00 C ATOM 776 O GLU A 50 5.279 -8.241 -4.013 1.00 0.00 O ATOM 777 CB GLU A 50 6.822 -11.029 -4.788 1.00 0.00 C ATOM 778 CG GLU A 50 7.362 -12.081 -5.742 1.00 0.00 C ATOM 779 CD GLU A 50 6.405 -13.242 -5.932 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.513 -13.140 -6.799 1.00 0.00 O ATOM 781 OE2 GLU A 50 6.550 -14.253 -5.213 1.00 0.00 O ATOM 0 H GLU A 50 7.927 -8.642 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 50 6.460 -9.819 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.531 -10.893 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.894 -11.392 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.564 -11.620 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.312 -12.457 -5.363 1.00 0.00 H new ATOM 788 N VAL A 51 4.143 -9.508 -5.485 1.00 0.00 N ATOM 789 CA VAL A 51 2.836 -9.015 -5.067 1.00 0.00 C ATOM 790 C VAL A 51 2.557 -9.366 -3.610 1.00 0.00 C ATOM 791 O VAL A 51 1.667 -8.792 -2.980 1.00 0.00 O ATOM 792 CB VAL A 51 1.711 -9.592 -5.947 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.397 -8.876 -5.673 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.083 -9.496 -7.419 1.00 0.00 C ATOM 0 H VAL A 51 4.113 -10.198 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 51 2.855 -7.931 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 51 1.582 -10.645 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.385 -9.297 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.125 -9.002 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.508 -7.814 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.277 -9.908 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.241 -8.451 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.998 -10.060 -7.601 1.00 0.00 H new ATOM 804 N THR A 52 3.323 -10.312 -3.077 1.00 0.00 N ATOM 805 CA THR A 52 3.159 -10.741 -1.694 1.00 0.00 C ATOM 806 C THR A 52 4.052 -9.933 -0.759 1.00 0.00 C ATOM 807 O THR A 52 3.767 -9.809 0.432 1.00 0.00 O ATOM 808 CB THR A 52 3.480 -12.238 -1.527 1.00 0.00 C ATOM 809 OG1 THR A 52 3.423 -12.600 -0.143 1.00 0.00 O ATOM 810 CG2 THR A 52 4.859 -12.560 -2.084 1.00 0.00 C ATOM 0 H THR A 52 4.064 -10.796 -3.583 1.00 0.00 H new ATOM 0 HA THR A 52 2.115 -10.571 -1.432 1.00 0.00 H new ATOM 0 HB THR A 52 2.737 -12.811 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.627 -13.554 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.064 -13.623 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.890 -12.310 -3.145 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.611 -11.978 -1.552 1.00 0.00 H new ATOM 818 N GLU A 53 5.133 -9.386 -1.306 1.00 0.00 N ATOM 819 CA GLU A 53 6.067 -8.590 -0.519 1.00 0.00 C ATOM 820 C GLU A 53 5.391 -7.334 0.022 1.00 0.00 C ATOM 821 O GLU A 53 5.684 -6.886 1.131 1.00 0.00 O ATOM 822 CB GLU A 53 7.282 -8.205 -1.365 1.00 0.00 C ATOM 823 CG GLU A 53 8.608 -8.382 -0.643 1.00 0.00 C ATOM 824 CD GLU A 53 9.528 -9.361 -1.346 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.020 -10.345 -1.923 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.758 -9.142 -1.318 1.00 0.00 O ATOM 0 H GLU A 53 5.383 -9.480 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 53 6.398 -9.195 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.289 -8.809 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.183 -7.165 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.105 -7.415 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.421 -8.730 0.373 1.00 0.00 H new ATOM 833 N PHE A 54 4.485 -6.770 -0.770 1.00 0.00 N ATOM 834 CA PHE A 54 3.767 -5.564 -0.372 1.00 0.00 C ATOM 835 C PHE A 54 2.761 -5.869 0.734 1.00 0.00 C ATOM 836 O PHE A 54 2.369 -4.984 1.493 1.00 0.00 O ATOM 837 CB PHE A 54 3.048 -4.953 -1.577 1.00 0.00 C ATOM 838 CG PHE A 54 3.856 -4.996 -2.842 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.065 -4.326 -2.931 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.405 -5.706 -3.943 1.00 0.00 C ATOM 841 CE1 PHE A 54 5.811 -4.364 -4.094 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.147 -5.748 -5.109 1.00 0.00 C ATOM 843 CZ PHE A 54 5.350 -5.075 -5.185 1.00 0.00 C ATOM 0 H PHE A 54 4.231 -7.128 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 54 4.494 -4.848 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.109 -5.483 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.795 -3.917 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.429 -3.767 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.463 -6.232 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.753 -3.839 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.786 -6.307 -5.960 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.930 -5.104 -6.096 1.00 0.00 H new ATOM 853 N ALA A 55 2.347 -7.129 0.817 1.00 0.00 N ATOM 854 CA ALA A 55 1.388 -7.553 1.830 1.00 0.00 C ATOM 855 C ALA A 55 1.940 -7.334 3.234 1.00 0.00 C ATOM 856 O ALA A 55 1.186 -7.279 4.207 1.00 0.00 O ATOM 857 CB ALA A 55 1.018 -9.015 1.628 1.00 0.00 C ATOM 0 H ALA A 55 2.661 -7.874 0.195 1.00 0.00 H new ATOM 0 HA ALA A 55 0.490 -6.945 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.301 -9.318 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.574 -9.145 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.914 -9.631 1.706 1.00 0.00 H new ATOM 863 N CYS A 56 3.259 -7.209 3.333 1.00 0.00 N ATOM 864 CA CYS A 56 3.912 -6.998 4.620 1.00 0.00 C ATOM 865 C CYS A 56 4.448 -5.574 4.730 1.00 0.00 C ATOM 866 O CYS A 56 5.237 -5.264 5.623 1.00 0.00 O ATOM 867 CB CYS A 56 5.052 -8.000 4.808 1.00 0.00 C ATOM 868 SG CYS A 56 5.318 -8.502 6.525 1.00 0.00 S ATOM 0 H CYS A 56 3.897 -7.250 2.538 1.00 0.00 H new ATOM 0 HA CYS A 56 3.171 -7.151 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.844 -8.887 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.973 -7.563 4.422 1.00 0.00 H new ATOM 0 HG CYS A 56 6.301 -9.351 6.582 1.00 0.00 H new ATOM 874 N VAL A 57 4.016 -4.712 3.815 1.00 0.00 N ATOM 875 CA VAL A 57 4.452 -3.321 3.809 1.00 0.00 C ATOM 876 C VAL A 57 3.268 -2.373 3.959 1.00 0.00 C ATOM 877 O VAL A 57 3.339 -1.384 4.689 1.00 0.00 O ATOM 878 CB VAL A 57 5.210 -2.977 2.513 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.600 -1.506 2.497 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.436 -3.864 2.362 1.00 0.00 C ATOM 0 H VAL A 57 3.364 -4.953 3.068 1.00 0.00 H new ATOM 0 HA VAL A 57 5.123 -3.196 4.659 1.00 0.00 H new ATOM 0 HB VAL A 57 4.550 -3.162 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.135 -1.281 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.702 -0.891 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.243 -1.291 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.960 -3.607 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.101 -3.713 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.127 -4.909 2.325 1.00 0.00 H new ATOM 890 N VAL A 58 2.177 -2.681 3.265 1.00 0.00 N ATOM 891 CA VAL A 58 0.976 -1.858 3.322 1.00 0.00 C ATOM 892 C VAL A 58 0.165 -2.155 4.579 1.00 0.00 C ATOM 893 O VAL A 58 -0.628 -1.328 5.028 1.00 0.00 O ATOM 894 CB VAL A 58 0.084 -2.079 2.085 1.00 0.00 C ATOM 895 CG1 VAL A 58 -1.038 -1.053 2.046 1.00 0.00 C ATOM 896 CG2 VAL A 58 0.916 -2.020 0.813 1.00 0.00 C ATOM 0 H VAL A 58 2.101 -3.496 2.656 1.00 0.00 H new ATOM 0 HA VAL A 58 1.305 -0.819 3.342 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.365 -3.070 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.658 -1.225 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.649 -1.148 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.613 -0.050 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.271 -2.178 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.394 -1.043 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.680 -2.796 0.842 1.00 0.00 H new ATOM 906 N ALA A 59 0.371 -3.341 5.142 1.00 0.00 N ATOM 907 CA ALA A 59 -0.339 -3.747 6.349 1.00 0.00 C ATOM 908 C ALA A 59 0.120 -2.934 7.555 1.00 0.00 C ATOM 909 O ALA A 59 -0.670 -2.637 8.451 1.00 0.00 O ATOM 910 CB ALA A 59 -0.138 -5.233 6.604 1.00 0.00 C ATOM 0 H ALA A 59 1.023 -4.037 4.782 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.401 -3.556 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.673 -5.523 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.521 -5.803 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.925 -5.440 6.730 1.00 0.00 H new ATOM 916 N GLU A 60 1.401 -2.578 7.570 1.00 0.00 N ATOM 917 CA GLU A 60 1.964 -1.801 8.668 1.00 0.00 C ATOM 918 C GLU A 60 2.010 -0.317 8.316 1.00 0.00 C ATOM 919 O GLU A 60 1.774 0.541 9.166 1.00 0.00 O ATOM 920 CB GLU A 60 3.370 -2.300 9.008 1.00 0.00 C ATOM 921 CG GLU A 60 3.623 -3.738 8.587 1.00 0.00 C ATOM 922 CD GLU A 60 2.625 -4.707 9.191 1.00 0.00 C ATOM 923 OE1 GLU A 60 2.376 -4.616 10.411 1.00 0.00 O ATOM 924 OE2 GLU A 60 2.095 -5.556 8.444 1.00 0.00 O ATOM 0 H GLU A 60 2.067 -2.815 6.835 1.00 0.00 H new ATOM 0 HA GLU A 60 1.321 -1.931 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.103 -1.654 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.528 -2.212 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.579 -3.807 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.631 -4.028 8.884 1.00 0.00 H new ATOM 931 N ALA A 61 2.318 -0.023 7.057 1.00 0.00 N ATOM 932 CA ALA A 61 2.394 1.357 6.592 1.00 0.00 C ATOM 933 C ALA A 61 1.129 2.128 6.952 1.00 0.00 C ATOM 934 O ALA A 61 1.166 3.343 7.148 1.00 0.00 O ATOM 935 CB ALA A 61 2.628 1.394 5.089 1.00 0.00 C ATOM 0 H ALA A 61 2.519 -0.721 6.341 1.00 0.00 H new ATOM 0 HA ALA A 61 3.235 1.838 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.683 2.430 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.564 0.887 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.805 0.892 4.580 1.00 0.00 H new ATOM 941 N VAL A 62 0.010 1.416 7.036 1.00 0.00 N ATOM 942 CA VAL A 62 -1.267 2.034 7.373 1.00 0.00 C ATOM 943 C VAL A 62 -1.472 2.083 8.882 1.00 0.00 C ATOM 944 O VAL A 62 -2.155 2.968 9.399 1.00 0.00 O ATOM 945 CB VAL A 62 -2.444 1.277 6.729 1.00 0.00 C ATOM 946 CG1 VAL A 62 -3.764 1.949 7.075 1.00 0.00 C ATOM 947 CG2 VAL A 62 -2.260 1.189 5.222 1.00 0.00 C ATOM 0 H VAL A 62 -0.038 0.410 6.875 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.241 3.050 6.980 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.464 0.263 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.584 1.401 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.897 1.955 8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.758 2.974 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.101 0.651 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.213 2.194 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.334 0.659 4.999 1.00 0.00 H new ATOM 957 N VAL A 63 -0.877 1.125 9.587 1.00 0.00 N ATOM 958 CA VAL A 63 -0.993 1.059 11.038 1.00 0.00 C ATOM 959 C VAL A 63 -0.234 2.202 11.703 1.00 0.00 C ATOM 960 O VAL A 63 -0.822 3.037 12.389 1.00 0.00 O ATOM 961 CB VAL A 63 -0.464 -0.280 11.584 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.496 -0.289 13.104 1.00 0.00 C ATOM 963 CG2 VAL A 63 -1.269 -1.441 11.018 1.00 0.00 C ATOM 0 H VAL A 63 -0.310 0.384 9.175 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.054 1.145 11.274 1.00 0.00 H new ATOM 0 HB VAL A 63 0.572 -0.397 11.267 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.118 -1.244 13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.128 0.519 13.486 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.521 -0.149 13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.882 -2.380 11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.315 -1.331 11.303 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.187 -1.445 9.931 1.00 0.00 H new ATOM 973 N LYS A 64 1.078 2.233 11.494 1.00 0.00 N ATOM 974 CA LYS A 64 1.920 3.274 12.071 1.00 0.00 C ATOM 975 C LYS A 64 1.454 4.658 11.630 1.00 0.00 C ATOM 976 O LYS A 64 1.754 5.662 12.278 1.00 0.00 O ATOM 977 CB LYS A 64 3.380 3.062 11.663 1.00 0.00 C ATOM 978 CG LYS A 64 3.579 2.928 10.163 1.00 0.00 C ATOM 979 CD LYS A 64 4.362 1.673 9.814 1.00 0.00 C ATOM 980 CE LYS A 64 5.832 1.814 10.179 1.00 0.00 C ATOM 981 NZ LYS A 64 6.588 0.556 9.929 1.00 0.00 N ATOM 0 H LYS A 64 1.581 1.549 10.929 1.00 0.00 H new ATOM 0 HA LYS A 64 1.839 3.212 13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.975 3.899 12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.759 2.165 12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.609 2.902 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.107 3.804 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.936 0.819 10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.269 1.469 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.274 2.625 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.921 2.088 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.585 0.693 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.182 -0.212 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.525 0.308 8.921 1.00 0.00 H new ATOM 995 N THR A 65 0.717 4.705 10.524 1.00 0.00 N ATOM 996 CA THR A 65 0.209 5.965 9.997 1.00 0.00 C ATOM 997 C THR A 65 -1.188 6.261 10.531 1.00 0.00 C ATOM 998 O THR A 65 -1.623 7.413 10.556 1.00 0.00 O ATOM 999 CB THR A 65 0.167 5.954 8.458 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.488 5.788 7.932 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.439 7.243 7.924 1.00 0.00 C ATOM 0 H THR A 65 0.459 3.884 9.976 1.00 0.00 H new ATOM 0 HA THR A 65 0.894 6.745 10.328 1.00 0.00 H new ATOM 0 HB THR A 65 -0.457 5.119 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.720 4.836 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.458 7.212 6.835 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.456 7.351 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.162 8.091 8.252 1.00 0.00 H new ATOM 1009 N LEU A 66 -1.887 5.214 10.958 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.236 5.362 11.492 1.00 0.00 C ATOM 1011 C LEU A 66 -3.291 4.940 12.957 1.00 0.00 C ATOM 1012 O LEU A 66 -3.973 3.980 13.311 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.224 4.530 10.673 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.662 5.049 10.628 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -5.706 6.451 10.042 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.544 4.105 9.824 1.00 0.00 C ATOM 0 H LEU A 66 -1.542 4.254 10.945 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.513 6.414 11.425 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.851 4.462 9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.237 3.517 11.076 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.044 5.092 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.737 6.803 10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.108 7.122 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.305 6.435 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.564 4.490 9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.163 4.030 8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.538 3.118 10.287 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.568 5.667 13.804 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.536 5.368 15.231 1.00 0.00 C ATOM 1030 C GLN A 67 -2.878 6.606 16.054 1.00 0.00 C ATOM 1031 O GLN A 67 -2.329 6.836 17.132 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.158 4.839 15.632 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.934 3.382 15.260 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.923 2.467 16.468 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.649 2.690 17.438 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -0.098 1.428 16.417 1.00 0.00 N ATOM 0 H GLN A 67 -1.998 6.466 13.527 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.284 4.602 15.433 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.391 5.449 15.155 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.033 4.954 16.709 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.718 3.062 14.573 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.013 3.288 14.729 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.486 1.280 15.594 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.048 0.777 17.201 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.807 7.423 15.536 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.243 8.652 16.207 1.00 0.00 C ATOM 1047 C PRO A 68 -5.054 8.367 17.467 1.00 0.00 C ATOM 1048 O PRO A 68 -4.776 8.915 18.533 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.114 9.341 15.154 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.605 8.235 14.285 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.503 7.211 14.256 1.00 0.00 C ATOM 0 HA PRO A 68 -3.399 9.255 16.542 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.942 9.879 15.616 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.540 10.070 14.581 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.526 7.807 14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.828 8.597 13.281 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.898 6.198 14.176 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.837 7.361 13.407 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.059 7.507 17.336 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.910 7.149 18.465 1.00 0.00 C ATOM 1061 C VAL A 69 -7.619 5.822 18.219 1.00 0.00 C ATOM 1062 O VAL A 69 -8.838 5.778 18.054 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.964 8.238 18.740 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.387 9.327 19.630 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.480 8.822 17.434 1.00 0.00 C ATOM 0 H VAL A 69 -6.304 7.045 16.460 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.260 7.055 19.335 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.804 7.782 19.264 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.146 10.087 19.813 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.072 8.893 20.579 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.528 9.783 19.137 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.224 9.590 17.647 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.651 9.263 16.880 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.935 8.032 16.837 1.00 0.00 H new ATOM 1075 N SER A 70 -6.846 4.740 18.196 1.00 0.00 N ATOM 1076 CA SER A 70 -7.399 3.410 17.967 1.00 0.00 C ATOM 1077 C SER A 70 -8.224 2.951 19.166 1.00 0.00 C ATOM 1078 O SER A 70 -8.939 1.952 19.095 1.00 0.00 O ATOM 1079 CB SER A 70 -6.276 2.408 17.692 1.00 0.00 C ATOM 1080 OG SER A 70 -5.081 2.788 18.352 1.00 0.00 O ATOM 0 H SER A 70 -5.835 4.759 18.333 1.00 0.00 H new ATOM 0 HA SER A 70 -8.053 3.460 17.096 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.580 1.416 18.026 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.097 2.343 16.619 1.00 0.00 H new ATOM 0 HG SER A 70 -4.379 2.131 18.162 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.117 3.688 20.266 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.853 3.359 21.481 1.00 0.00 C ATOM 1088 C ASP A 71 -10.354 3.539 21.274 1.00 0.00 C ATOM 1089 O ASP A 71 -11.163 3.082 22.082 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.378 4.232 22.643 1.00 0.00 C ATOM 1091 CG ASP A 71 -8.734 5.693 22.453 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -8.018 6.385 21.699 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -9.729 6.144 23.057 1.00 0.00 O ATOM 0 H ASP A 71 -7.528 4.517 20.341 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.661 2.313 21.720 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.822 3.871 23.570 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.297 4.135 22.748 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.719 4.209 20.186 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.123 4.451 19.872 1.00 0.00 C ATOM 1100 C LEU A 72 -12.620 3.474 18.811 1.00 0.00 C ATOM 1101 O LEU A 72 -13.825 3.328 18.602 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.317 5.889 19.388 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.886 6.177 17.950 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -13.034 5.920 16.987 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.389 7.610 17.819 1.00 0.00 C ATOM 0 H LEU A 72 -10.063 4.594 19.507 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.705 4.298 20.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.372 6.146 19.488 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.763 6.552 20.052 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.067 5.504 17.695 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.708 6.130 15.968 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.344 4.878 17.061 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.873 6.567 17.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.086 7.797 16.789 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.188 8.299 18.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.536 7.761 18.481 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.685 2.806 18.145 1.00 0.00 N ATOM 1118 CA LEU A 73 -12.028 1.840 17.107 1.00 0.00 C ATOM 1119 C LEU A 73 -12.184 0.441 17.695 1.00 0.00 C ATOM 1120 O LEU A 73 -12.858 -0.414 17.120 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.955 1.831 16.017 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.342 3.187 15.667 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.117 3.008 14.784 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.370 4.076 14.982 1.00 0.00 C ATOM 0 H LEU A 73 -10.684 2.915 18.305 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.980 2.138 16.668 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.153 1.162 16.330 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.389 1.406 15.112 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.030 3.672 16.592 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.695 3.984 14.545 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.373 2.410 15.310 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.404 2.502 13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.916 5.037 14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.713 3.596 14.066 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.218 4.233 15.649 1.00 0.00 H new ATOM 1136 N THR A 74 -11.558 0.215 18.846 1.00 0.00 N ATOM 1137 CA THR A 74 -11.629 -1.079 19.512 1.00 0.00 C ATOM 1138 C THR A 74 -12.977 -1.273 20.196 1.00 0.00 C ATOM 1139 O THR A 74 -13.301 -2.369 20.651 1.00 0.00 O ATOM 1140 CB THR A 74 -10.508 -1.234 20.558 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.470 -0.280 20.308 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.930 -2.641 20.528 1.00 0.00 C ATOM 0 H THR A 74 -10.996 0.911 19.336 1.00 0.00 H new ATOM 0 HA THR A 74 -11.504 -1.839 18.740 1.00 0.00 H new ATOM 0 HB THR A 74 -10.935 -1.055 21.545 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.762 -0.384 20.978 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.141 -2.726 21.275 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.717 -3.362 20.748 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.518 -2.844 19.540 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.760 -0.201 20.266 1.00 0.00 N ATOM 1151 CA ASN A 75 -15.074 -0.254 20.895 1.00 0.00 C ATOM 1152 C ASN A 75 -16.161 -0.534 19.861 1.00 0.00 C ATOM 1153 O ASN A 75 -17.300 -0.844 20.211 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.370 1.062 21.618 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.414 2.245 20.670 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -15.903 2.136 19.545 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.902 3.384 21.121 1.00 0.00 N ATOM 0 H ASN A 75 -13.507 0.715 19.895 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.069 -1.067 21.621 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.324 0.981 22.138 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.607 1.236 22.377 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.904 4.214 20.528 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.507 3.429 22.060 1.00 0.00 H new ATOM 1164 N MET A 76 -15.801 -0.424 18.587 1.00 0.00 N ATOM 1165 CA MET A 76 -16.744 -0.668 17.502 1.00 0.00 C ATOM 1166 C MET A 76 -16.450 -1.997 16.814 1.00 0.00 C ATOM 1167 O MET A 76 -17.310 -2.562 16.140 1.00 0.00 O ATOM 1168 CB MET A 76 -16.688 0.471 16.483 1.00 0.00 C ATOM 1169 CG MET A 76 -15.275 0.849 16.071 1.00 0.00 C ATOM 1170 SD MET A 76 -15.236 1.910 14.614 1.00 0.00 S ATOM 1171 CE MET A 76 -14.938 3.508 15.366 1.00 0.00 C ATOM 0 H MET A 76 -14.863 -0.167 18.280 1.00 0.00 H new ATOM 0 HA MET A 76 -17.746 -0.715 17.929 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.251 0.182 15.596 1.00 0.00 H new ATOM 0 HB3 MET A 76 -17.182 1.347 16.902 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.783 1.358 16.900 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.704 -0.058 15.871 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.793 4.160 15.186 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.796 3.384 16.440 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.043 3.954 14.931 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.228 -2.491 16.989 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.842 -3.750 16.377 1.00 0.00 C ATOM 1183 C GLY A 77 -13.575 -3.630 15.554 1.00 0.00 C ATOM 1184 O GLY A 77 -12.844 -4.606 15.383 1.00 0.00 O ATOM 0 H GLY A 77 -14.499 -2.042 17.543 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.696 -4.499 17.155 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.653 -4.105 15.741 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.314 -2.432 15.043 1.00 0.00 N ATOM 1189 CA ILE A 78 -12.127 -2.189 14.234 1.00 0.00 C ATOM 1190 C ILE A 78 -10.860 -2.262 15.079 1.00 0.00 C ATOM 1191 O ILE A 78 -10.575 -1.360 15.868 1.00 0.00 O ATOM 1192 CB ILE A 78 -12.189 -0.815 13.540 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.293 -0.804 12.481 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.844 -0.476 12.915 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.604 0.576 11.947 1.00 0.00 C ATOM 0 H ILE A 78 -13.909 -1.614 15.175 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.099 -2.970 13.474 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.421 -0.057 14.288 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.997 -1.447 11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.200 -1.232 12.908 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.904 0.498 12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.079 -0.447 13.691 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.584 -1.235 12.177 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.396 0.508 11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.931 1.218 12.765 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.710 0.999 11.490 1.00 0.00 H new ATOM 1207 N ASP A 79 -10.102 -3.340 14.909 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.864 -3.529 15.655 1.00 0.00 C ATOM 1209 C ASP A 79 -7.681 -2.922 14.907 1.00 0.00 C ATOM 1210 O ASP A 79 -7.504 -3.154 13.710 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.616 -5.018 15.903 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.428 -5.336 17.374 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.288 -5.208 17.868 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.421 -5.712 18.030 1.00 0.00 O ATOM 0 H ASP A 79 -10.324 -4.096 14.261 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.965 -3.020 16.614 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.456 -5.593 15.514 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.731 -5.333 15.350 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.874 -2.143 15.619 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.708 -1.501 15.023 1.00 0.00 C ATOM 1221 C LEU A 80 -4.475 -2.391 15.144 1.00 0.00 C ATOM 1222 O LEU A 80 -3.596 -2.372 14.281 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.445 -0.152 15.695 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.579 0.832 14.907 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.125 0.388 14.914 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.091 0.969 13.481 1.00 0.00 C ATOM 0 H LEU A 80 -7.006 -1.941 16.610 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.914 -1.339 13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.405 0.323 15.900 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.968 -0.335 16.658 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.641 1.808 15.389 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.524 1.100 14.348 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.763 0.343 15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.044 -0.598 14.457 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.463 1.673 12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.060 -0.003 12.988 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.118 1.335 13.497 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.418 -3.171 16.217 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.294 -4.072 16.449 1.00 0.00 C ATOM 1240 C ASP A 81 -3.349 -5.265 15.500 1.00 0.00 C ATOM 1241 O ASP A 81 -2.334 -5.910 15.241 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.293 -4.557 17.900 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.212 -3.895 18.731 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -2.243 -2.654 18.866 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.334 -4.618 19.246 1.00 0.00 O ATOM 0 H ASP A 81 -5.137 -3.198 16.940 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.373 -3.521 16.258 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.266 -4.356 18.348 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.151 -5.638 17.919 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.542 -5.552 14.988 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.728 -6.670 14.070 1.00 0.00 C ATOM 1252 C GLU A 82 -4.261 -6.303 12.664 1.00 0.00 C ATOM 1253 O GLU A 82 -3.802 -7.159 11.908 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.199 -7.091 14.036 1.00 0.00 C ATOM 1255 CG GLU A 82 -7.033 -6.314 13.032 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.522 -6.533 13.216 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.898 -7.405 14.026 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.311 -5.831 12.548 1.00 0.00 O ATOM 0 H GLU A 82 -5.392 -5.027 15.193 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.126 -7.505 14.428 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.258 -8.153 13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.628 -6.961 15.030 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.812 -5.251 13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.748 -6.610 12.022 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.383 -5.026 12.321 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.975 -4.545 11.006 1.00 0.00 C ATOM 1267 C TRP A 83 -2.529 -4.929 10.712 1.00 0.00 C ATOM 1268 O TRP A 83 -2.174 -5.215 9.568 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.139 -3.026 10.922 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.560 -2.594 10.715 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.684 -3.330 10.957 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -6.006 -1.326 10.223 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.803 -2.596 10.644 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.414 -1.363 10.193 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.354 -0.162 9.807 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.177 -0.281 9.762 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -6.113 0.910 9.379 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.513 0.845 9.359 1.00 0.00 C ATOM 0 H TRP A 83 -4.761 -4.305 12.935 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.616 -5.014 10.260 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.759 -2.575 11.839 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.528 -2.646 10.103 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.693 -4.340 11.338 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.767 -2.918 10.733 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.276 -0.102 9.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.256 -0.329 9.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.619 1.814 9.054 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -8.078 1.700 9.019 1.00 0.00 H new ATOM 1289 N SER A 84 -1.699 -4.933 11.750 1.00 0.00 N ATOM 1290 CA SER A 84 -0.290 -5.278 11.601 1.00 0.00 C ATOM 1291 C SER A 84 -0.112 -6.787 11.462 1.00 0.00 C ATOM 1292 O SER A 84 0.842 -7.258 10.843 1.00 0.00 O ATOM 1293 CB SER A 84 0.512 -4.767 12.799 1.00 0.00 C ATOM 1294 OG SER A 84 -0.321 -4.589 13.931 1.00 0.00 O ATOM 0 H SER A 84 -1.978 -4.701 12.703 1.00 0.00 H new ATOM 0 HA SER A 84 0.081 -4.800 10.694 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.307 -5.473 13.036 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.991 -3.822 12.544 1.00 0.00 H new ATOM 0 HG SER A 84 -0.845 -5.403 14.083 1.00 0.00 H new ATOM 1300 N VAL A 85 -1.040 -7.542 12.044 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.988 -8.998 11.985 1.00 0.00 C ATOM 1302 C VAL A 85 -2.161 -9.558 11.189 1.00 0.00 C ATOM 1303 O VAL A 85 -2.737 -10.583 11.552 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.996 -9.616 13.396 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.199 -9.129 14.200 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.299 -9.292 14.112 1.00 0.00 C ATOM 0 H VAL A 85 -1.836 -7.169 12.561 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.056 -9.262 11.486 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.921 -10.699 13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.176 -9.576 15.194 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.120 -9.417 13.694 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.159 -8.043 14.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.288 -9.736 15.107 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.408 -8.211 14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.137 -9.696 13.544 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.510 -8.878 10.102 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.613 -9.309 9.252 1.00 0.00 C ATOM 1318 C ALA A 86 -3.106 -9.790 7.897 1.00 0.00 C ATOM 1319 O ALA A 86 -1.903 -9.960 7.696 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.614 -8.178 9.073 1.00 0.00 C ATOM 0 H ALA A 86 -2.045 -8.026 9.789 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.111 -10.146 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.432 -8.514 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.008 -7.884 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.120 -7.325 8.609 1.00 0.00 H new ATOM 1326 N THR A 87 -4.032 -10.010 6.968 1.00 0.00 N ATOM 1327 CA THR A 87 -3.680 -10.474 5.632 1.00 0.00 C ATOM 1328 C THR A 87 -4.208 -9.523 4.564 1.00 0.00 C ATOM 1329 O THR A 87 -5.374 -9.594 4.177 1.00 0.00 O ATOM 1330 CB THR A 87 -4.231 -11.887 5.364 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.154 -12.676 6.556 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.454 -12.568 4.248 1.00 0.00 C ATOM 0 H THR A 87 -5.032 -9.874 7.117 1.00 0.00 H new ATOM 0 HA THR A 87 -2.591 -10.503 5.584 1.00 0.00 H new ATOM 0 HB THR A 87 -5.272 -11.795 5.056 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.508 -13.573 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.861 -13.564 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.538 -11.980 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.405 -12.649 4.532 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.341 -8.635 4.088 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.721 -7.669 3.063 1.00 0.00 C ATOM 1342 C PHE A 88 -3.347 -8.176 1.674 1.00 0.00 C ATOM 1343 O PHE A 88 -2.169 -8.235 1.319 1.00 0.00 O ATOM 1344 CB PHE A 88 -3.046 -6.322 3.326 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.796 -5.454 4.296 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -4.210 -5.957 5.519 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -4.086 -4.136 3.985 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.901 -5.161 6.412 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.777 -3.334 4.875 1.00 0.00 C ATOM 1350 CZ PHE A 88 -5.184 -3.848 6.091 1.00 0.00 C ATOM 0 H PHE A 88 -2.371 -8.564 4.395 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.802 -7.539 3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.041 -6.497 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.938 -5.788 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.990 -6.982 5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.769 -3.730 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.220 -5.566 7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.998 -2.308 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.722 -3.224 6.789 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.357 -8.542 0.892 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.135 -9.047 -0.458 1.00 0.00 C ATOM 1362 C TYR A 89 -4.148 -7.909 -1.474 1.00 0.00 C ATOM 1363 O TYR A 89 -5.022 -7.042 -1.442 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.202 -10.081 -0.819 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.200 -11.294 0.084 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.118 -12.164 0.110 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.282 -11.569 0.912 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.113 -13.274 0.933 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.285 -12.675 1.739 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.198 -13.525 1.746 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.197 -14.628 2.568 1.00 0.00 O ATOM 0 H TYR A 89 -5.337 -8.498 1.170 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.154 -9.522 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.183 -9.608 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.049 -10.405 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.266 -11.970 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.135 -10.906 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.264 -13.941 0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.134 -12.874 2.377 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.035 -14.659 3.076 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.173 -7.919 -2.376 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.071 -6.889 -3.404 1.00 0.00 C ATOM 1383 C LEU A 90 -3.865 -7.279 -4.646 1.00 0.00 C ATOM 1384 O LEU A 90 -4.047 -8.463 -4.933 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.606 -6.654 -3.774 1.00 0.00 C ATOM 1386 CG LEU A 90 -0.756 -5.934 -2.727 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.435 -4.649 -2.279 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.494 -6.844 -1.536 1.00 0.00 C ATOM 0 H LEU A 90 -2.442 -8.629 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.490 -5.967 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.146 -7.619 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.574 -6.077 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 90 0.201 -5.676 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.815 -4.151 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.571 -3.991 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.407 -4.883 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.112 -6.315 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.443 -7.133 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.036 -7.736 -1.869 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.334 -6.276 -5.382 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.108 -6.514 -6.595 1.00 0.00 C ATOM 1402 C PHE A 91 -4.972 -5.345 -7.565 1.00 0.00 C ATOM 1403 O PHE A 91 -4.365 -4.323 -7.241 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.582 -6.736 -6.249 1.00 0.00 C ATOM 1405 CG PHE A 91 -6.985 -8.183 -6.246 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.843 -8.958 -7.385 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.508 -8.767 -5.104 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.213 -10.290 -7.386 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -7.879 -10.099 -5.098 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.733 -10.861 -6.240 1.00 0.00 C ATOM 0 H PHE A 91 -4.191 -5.291 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.716 -7.410 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.785 -6.308 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.201 -6.196 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.438 -8.516 -8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.627 -8.175 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.096 -10.883 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.283 -10.543 -4.200 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.025 -11.901 -6.238 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.540 -5.502 -8.755 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.483 -4.460 -9.774 1.00 0.00 C ATOM 1422 C ASP A 92 -6.868 -4.191 -10.354 1.00 0.00 C ATOM 1423 O ASP A 92 -7.854 -4.802 -9.942 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.517 -4.860 -10.890 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.078 -4.516 -10.562 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.752 -4.411 -9.361 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.276 -4.351 -11.506 1.00 0.00 O ATOM 0 H ASP A 92 -6.046 -6.341 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.122 -3.545 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.599 -5.932 -11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.806 -4.358 -11.814 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.934 -3.273 -11.311 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.198 -2.922 -11.949 1.00 0.00 C ATOM 1434 C ASP A 93 -8.724 -4.084 -12.786 1.00 0.00 C ATOM 1435 O ASP A 93 -9.877 -4.079 -13.216 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.025 -1.682 -12.826 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.334 -1.993 -14.139 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -6.314 -2.713 -14.117 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -7.815 -1.518 -15.189 1.00 0.00 O ATOM 0 H ASP A 93 -6.127 -2.758 -11.663 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.924 -2.704 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.003 -1.244 -13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.447 -0.934 -12.283 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.871 -5.077 -13.014 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.250 -6.245 -13.800 1.00 0.00 C ATOM 1446 C ALA A 94 -8.635 -7.412 -12.897 1.00 0.00 C ATOM 1447 O ALA A 94 -8.913 -8.512 -13.372 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.115 -6.647 -14.730 1.00 0.00 C ATOM 0 H ALA A 94 -6.913 -5.096 -12.666 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.120 -5.981 -14.401 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.412 -7.520 -15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.889 -5.822 -15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.230 -6.887 -14.141 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.650 -7.164 -11.590 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.001 -8.204 -10.642 1.00 0.00 C ATOM 1456 C GLY A 95 -7.918 -9.255 -10.506 1.00 0.00 C ATOM 1457 O GLY A 95 -8.206 -10.421 -10.238 1.00 0.00 O ATOM 0 H GLY A 95 -8.425 -6.261 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.190 -7.754 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.928 -8.681 -10.958 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.668 -8.842 -10.693 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.538 -9.759 -10.592 1.00 0.00 C ATOM 1463 C GLU A 96 -4.469 -9.202 -9.656 1.00 0.00 C ATOM 1464 O GLU A 96 -4.404 -7.997 -9.419 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.937 -10.017 -11.975 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.325 -8.782 -12.613 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.644 -9.084 -13.934 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.601 -10.271 -14.320 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.155 -8.135 -14.581 1.00 0.00 O ATOM 0 H GLU A 96 -6.412 -7.880 -10.915 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.902 -10.701 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.172 -10.789 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.714 -10.408 -12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.104 -8.036 -12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.600 -8.344 -11.927 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.632 -10.091 -9.129 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.566 -9.689 -8.218 1.00 0.00 C ATOM 1478 C GLU A 97 -1.369 -9.143 -8.990 1.00 0.00 C ATOM 1479 O GLU A 97 -0.429 -9.875 -9.297 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.132 -10.873 -7.352 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.526 -10.734 -5.890 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.086 -11.919 -5.053 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -0.973 -12.433 -5.290 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.855 -12.332 -4.160 1.00 0.00 O ATOM 0 H GLU A 97 -3.671 -11.093 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.952 -8.899 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.572 -11.786 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.050 -10.984 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.086 -9.823 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.608 -10.625 -5.818 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.411 -7.851 -9.300 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.330 -7.206 -10.037 1.00 0.00 C ATOM 1493 C ASN A 98 0.131 -5.937 -9.327 1.00 0.00 C ATOM 1494 O ASN A 98 -0.541 -5.439 -8.423 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.784 -6.872 -11.460 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.589 -8.032 -12.417 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.292 -9.130 -12.165 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.183 -7.941 -13.371 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.182 -7.230 -9.052 1.00 0.00 H new ATOM 0 HA ASN A 98 0.509 -7.900 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.837 -6.590 -11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.227 -6.008 -11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.703 -7.077 -13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.303 -8.729 -14.007 1.00 0.00 H new ATOM 1505 N PHE A 99 1.282 -5.418 -9.742 1.00 0.00 N ATOM 1506 CA PHE A 99 1.834 -4.207 -9.146 1.00 0.00 C ATOM 1507 C PHE A 99 1.896 -3.077 -10.169 1.00 0.00 C ATOM 1508 O PHE A 99 2.970 -2.557 -10.472 1.00 0.00 O ATOM 1509 CB PHE A 99 3.232 -4.481 -8.586 1.00 0.00 C ATOM 1510 CG PHE A 99 4.058 -5.387 -9.453 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.855 -4.867 -10.461 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.038 -6.759 -9.261 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.617 -5.698 -11.260 1.00 0.00 C ATOM 1514 CE2 PHE A 99 4.798 -7.595 -10.057 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.587 -7.064 -11.059 1.00 0.00 C ATOM 0 H PHE A 99 1.851 -5.817 -10.489 1.00 0.00 H new ATOM 0 HA PHE A 99 1.177 -3.900 -8.332 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.757 -3.534 -8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.137 -4.926 -7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.881 -3.800 -10.624 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.422 -7.180 -8.480 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.235 -5.280 -12.041 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.775 -8.663 -9.896 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.179 -7.716 -11.684 1.00 0.00 H new ATOM 1525 N SER A 100 0.736 -2.702 -10.699 1.00 0.00 N ATOM 1526 CA SER A 100 0.657 -1.636 -11.691 1.00 0.00 C ATOM 1527 C SER A 100 0.727 -0.266 -11.023 1.00 0.00 C ATOM 1528 O SER A 100 1.056 -0.155 -9.843 1.00 0.00 O ATOM 1529 CB SER A 100 -0.637 -1.757 -12.499 1.00 0.00 C ATOM 1530 OG SER A 100 -0.581 -0.964 -13.672 1.00 0.00 O ATOM 0 H SER A 100 -0.162 -3.121 -10.458 1.00 0.00 H new ATOM 0 HA SER A 100 1.508 -1.736 -12.365 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.805 -2.800 -12.769 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.483 -1.446 -11.886 1.00 0.00 H new ATOM 0 HG SER A 100 -1.419 -1.060 -14.172 1.00 0.00 H new ATOM 1536 N SER A 101 0.415 0.775 -11.789 1.00 0.00 N ATOM 1537 CA SER A 101 0.446 2.139 -11.274 1.00 0.00 C ATOM 1538 C SER A 101 -0.336 2.244 -9.968 1.00 0.00 C ATOM 1539 O SER A 101 -0.025 3.070 -9.110 1.00 0.00 O ATOM 1540 CB SER A 101 -0.131 3.109 -12.307 1.00 0.00 C ATOM 1541 OG SER A 101 0.879 3.950 -12.836 1.00 0.00 O ATOM 0 H SER A 101 0.138 0.700 -12.768 1.00 0.00 H new ATOM 0 HA SER A 101 1.485 2.404 -11.077 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.601 2.548 -13.115 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.909 3.716 -11.845 1.00 0.00 H new ATOM 0 HG SER A 101 0.485 4.559 -13.495 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.354 1.401 -9.825 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.182 1.400 -8.625 1.00 0.00 C ATOM 1549 C ARG A 102 -2.745 0.007 -8.355 1.00 0.00 C ATOM 1550 O ARG A 102 -3.245 -0.657 -9.262 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.326 2.405 -8.768 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.220 2.489 -7.542 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.661 2.789 -7.922 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.757 3.895 -8.871 1.00 0.00 N ATOM 1555 CZ ARG A 102 -5.650 5.173 -8.524 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -5.443 5.504 -7.257 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -5.749 6.123 -9.446 1.00 0.00 N ATOM 0 H ARG A 102 -1.625 0.710 -10.525 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.556 1.691 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.909 3.391 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.933 2.132 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.176 1.548 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.850 3.266 -6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.115 1.898 -8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.230 3.031 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.915 3.674 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.366 4.777 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.361 6.486 -6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.907 5.872 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.667 7.104 -9.179 1.00 0.00 H new ATOM 1571 N MET A 103 -2.659 -0.427 -7.102 1.00 0.00 N ATOM 1572 CA MET A 103 -3.160 -1.740 -6.713 1.00 0.00 C ATOM 1573 C MET A 103 -4.114 -1.628 -5.527 1.00 0.00 C ATOM 1574 O MET A 103 -3.815 -0.957 -4.539 1.00 0.00 O ATOM 1575 CB MET A 103 -1.998 -2.670 -6.361 1.00 0.00 C ATOM 1576 CG MET A 103 -1.108 -2.137 -5.250 1.00 0.00 C ATOM 1577 SD MET A 103 0.455 -3.028 -5.125 1.00 0.00 S ATOM 1578 CE MET A 103 0.870 -2.742 -3.406 1.00 0.00 C ATOM 0 H MET A 103 -2.247 0.111 -6.339 1.00 0.00 H new ATOM 0 HA MET A 103 -3.706 -2.158 -7.559 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.397 -3.639 -6.062 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.393 -2.835 -7.252 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.906 -1.080 -5.426 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.638 -2.206 -4.300 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.714 -2.056 -3.345 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.012 -2.309 -2.892 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.136 -3.688 -2.934 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.261 -2.289 -5.632 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.259 -2.261 -4.570 1.00 0.00 C ATOM 1590 C TYR A 104 -5.889 -3.228 -3.449 1.00 0.00 C ATOM 1591 O TYR A 104 -5.278 -4.270 -3.690 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.639 -2.614 -5.128 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.150 -1.623 -6.149 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.238 -0.269 -5.849 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.546 -2.041 -7.414 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.705 0.640 -6.779 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.013 -1.139 -8.350 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.091 0.200 -8.028 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.557 1.101 -8.958 1.00 0.00 O ATOM 0 H TYR A 104 -5.523 -2.851 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.288 -1.251 -4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.595 -3.603 -5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.350 -2.674 -4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.936 0.079 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.488 -3.089 -7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.767 1.689 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.316 -1.480 -9.329 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.785 0.628 -9.786 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.264 -2.875 -2.225 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.972 -3.711 -1.065 1.00 0.00 C ATOM 1611 C CYS A 105 -7.259 -4.211 -0.418 1.00 0.00 C ATOM 1612 O CYS A 105 -7.894 -3.497 0.359 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.143 -2.931 -0.044 1.00 0.00 C ATOM 1614 SG CYS A 105 -5.795 -1.287 0.335 1.00 0.00 S ATOM 0 H CYS A 105 -6.771 -2.016 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.399 -4.574 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.085 -3.509 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.125 -2.829 -0.420 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.078 -1.363 0.529 1.00 0.00 H new ATOM 1620 N SER A 106 -7.640 -5.442 -0.744 1.00 0.00 N ATOM 1621 CA SER A 106 -8.855 -6.036 -0.199 1.00 0.00 C ATOM 1622 C SER A 106 -8.522 -7.048 0.894 1.00 0.00 C ATOM 1623 O SER A 106 -7.466 -7.680 0.869 1.00 0.00 O ATOM 1624 CB SER A 106 -9.660 -6.714 -1.310 1.00 0.00 C ATOM 1625 OG SER A 106 -8.955 -6.688 -2.539 1.00 0.00 O ATOM 0 H SER A 106 -7.125 -6.047 -1.383 1.00 0.00 H new ATOM 0 HA SER A 106 -9.455 -5.238 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.873 -7.746 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.620 -6.211 -1.427 1.00 0.00 H new ATOM 0 HG SER A 106 -9.490 -7.129 -3.232 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.431 -7.195 1.851 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.235 -8.129 2.954 1.00 0.00 C ATOM 1633 C PHE A 107 -9.451 -9.568 2.494 1.00 0.00 C ATOM 1634 O PHE A 107 -8.566 -10.413 2.627 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.189 -7.800 4.104 1.00 0.00 C ATOM 1636 CG PHE A 107 -9.541 -7.864 5.458 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -9.104 -9.073 5.975 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -9.369 -6.715 6.213 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -8.508 -9.134 7.221 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -8.773 -6.770 7.459 1.00 0.00 C ATOM 1641 CZ PHE A 107 -8.341 -7.981 7.963 1.00 0.00 C ATOM 0 H PHE A 107 -10.311 -6.680 1.886 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.207 -8.029 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.597 -6.801 3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -11.029 -8.494 4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -9.230 -9.977 5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -9.705 -5.765 5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -8.173 -10.083 7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -8.645 -5.867 8.038 1.00 0.00 H new ATOM 0 HZ PHE A 107 -7.873 -8.026 8.935 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.634 -9.838 1.954 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.969 -11.174 1.476 1.00 0.00 C ATOM 1653 C TYR A 108 -9.902 -11.693 0.517 1.00 0.00 C ATOM 1654 O TYR A 108 -9.185 -10.928 -0.128 1.00 0.00 O ATOM 1655 CB TYR A 108 -12.333 -11.164 0.783 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.354 -10.364 -0.499 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.427 -8.977 -0.475 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.301 -10.995 -1.736 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.448 -8.242 -1.644 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.320 -10.268 -2.910 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.394 -8.892 -2.859 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.413 -8.163 -4.027 1.00 0.00 O ATOM 0 H TYR A 108 -11.377 -9.149 1.836 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.012 -11.840 2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.628 -12.190 0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.076 -10.756 1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.468 -8.464 0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.244 -12.073 -1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.506 -7.164 -1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.277 -10.774 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.367 -8.772 -4.793 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.795 -13.026 0.419 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.820 -13.679 -0.460 1.00 0.00 C ATOM 1674 C PRO A 109 -9.158 -13.500 -1.936 1.00 0.00 C ATOM 1675 O PRO A 109 -10.255 -13.073 -2.299 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.918 -15.155 -0.064 1.00 0.00 C ATOM 1677 CG PRO A 109 -10.292 -15.308 0.491 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.617 -13.999 1.158 1.00 0.00 C ATOM 0 HA PRO A 109 -7.821 -13.258 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.764 -15.807 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.161 -15.418 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.009 -15.532 -0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.335 -16.131 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.679 -13.764 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.365 -14.015 2.218 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.197 -13.835 -2.809 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.371 -13.720 -4.260 1.00 0.00 C ATOM 1688 C PRO A 110 -9.361 -14.743 -4.808 1.00 0.00 C ATOM 1689 O PRO A 110 -10.264 -14.399 -5.571 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.967 -13.988 -4.808 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.304 -14.816 -3.762 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.866 -14.351 -2.448 1.00 0.00 C ATOM 0 HA PRO A 110 -8.777 -12.750 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.008 -14.514 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.425 -13.058 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.504 -15.876 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.222 -14.688 -3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.933 -15.167 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.244 -13.578 -1.996 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.184 -15.999 -4.415 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.063 -17.072 -4.865 1.00 0.00 C ATOM 1702 C ASP A 111 -9.640 -18.409 -4.265 1.00 0.00 C ATOM 1703 O ASP A 111 -10.478 -19.262 -3.974 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.056 -17.159 -6.392 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.407 -16.831 -6.997 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.421 -17.376 -6.514 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.450 -16.030 -7.955 1.00 0.00 O ATOM 0 H ASP A 111 -8.440 -16.300 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.074 -16.846 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.307 -16.473 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.760 -18.164 -6.694 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.335 -18.585 -4.086 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.802 -19.820 -3.522 1.00 0.00 C ATOM 1714 C GLU A 112 -8.502 -20.167 -2.212 1.00 0.00 C ATOM 1715 O GLU A 112 -8.810 -21.330 -1.951 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.295 -19.691 -3.289 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.476 -20.762 -3.989 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.765 -20.240 -5.222 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -3.875 -19.378 -5.072 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -5.098 -20.694 -6.337 1.00 0.00 O ATOM 0 H GLU A 112 -7.628 -17.889 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.985 -20.624 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.965 -18.711 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.096 -19.736 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.740 -21.164 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.130 -21.586 -4.273 1.00 0.00 H new