USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 666 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 10 GLN :FLIP amide:sc= 0.653 F(o=-10,f=-4.9) USER MOD Set 1.2: A 72 THR OG1 : rot -106:sc= -5.51! USER MOD Single : A 3 SER OG : rot 27:sc= 0.858 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 26 ASN : amide:sc= -7.01! C(o=-7!,f=-9.3!) USER MOD Single : A 28 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.36) USER MOD Single : A 32 GLN : amide:sc= -0.436 K(o=-0.44,f=-2.1!) USER MOD Single : A 33 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-7.8!) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -2.94! C(o=-4!,f=-2.9!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.157 (180deg=-0.711) USER MOD Single : A 52 THR OG1 : rot 87:sc= -1.49 USER MOD Single : A 56 ASN : amide:sc= 0.0273 X(o=0.027,f=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.418 F(o=-0.93,f=-0.42) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 -4.352 12.437 4.046 1.00 0.00 N ATOM 32 CA SER A 3 -3.877 12.838 2.692 1.00 0.00 C ATOM 33 C SER A 3 -2.576 12.104 2.364 1.00 0.00 C ATOM 34 O SER A 3 -2.031 12.250 1.288 1.00 0.00 O ATOM 35 CB SER A 3 -3.628 14.347 2.665 1.00 0.00 C ATOM 36 OG SER A 3 -4.272 14.949 3.780 1.00 0.00 O ATOM 0 HA SER A 3 -4.635 12.579 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.558 14.551 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.008 14.773 1.737 1.00 0.00 H new ATOM 0 HG SER A 3 -4.353 14.294 4.504 1.00 0.00 H new ATOM 42 N LEU A 4 -2.067 11.317 3.275 1.00 0.00 N ATOM 43 CA LEU A 4 -0.805 10.592 2.986 1.00 0.00 C ATOM 44 C LEU A 4 -0.982 9.100 3.243 1.00 0.00 C ATOM 45 O LEU A 4 -1.871 8.678 3.955 1.00 0.00 O ATOM 46 CB LEU A 4 0.327 11.143 3.849 1.00 0.00 C ATOM 47 CG LEU A 4 -0.196 11.486 5.246 1.00 0.00 C ATOM 48 CD1 LEU A 4 -0.311 10.208 6.077 1.00 0.00 C ATOM 49 CD2 LEU A 4 0.777 12.452 5.927 1.00 0.00 C ATOM 0 H LEU A 4 -2.469 11.149 4.197 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.551 10.738 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.129 10.409 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.751 12.032 3.382 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.178 11.953 5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.683 10.453 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.001 9.519 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.670 9.740 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.408 12.699 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.757 11.983 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.860 13.363 5.335 1.00 0.00 H new ATOM 61 N VAL A 5 -0.150 8.298 2.639 1.00 0.00 N ATOM 62 CA VAL A 5 -0.273 6.829 2.808 1.00 0.00 C ATOM 63 C VAL A 5 1.004 6.259 3.430 1.00 0.00 C ATOM 64 O VAL A 5 2.007 6.932 3.550 1.00 0.00 O ATOM 65 CB VAL A 5 -0.518 6.191 1.427 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.181 7.206 0.497 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.803 5.734 0.792 1.00 0.00 C ATOM 0 H VAL A 5 0.613 8.601 2.033 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.107 6.605 3.472 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.167 5.326 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.352 6.749 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.134 7.521 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.531 8.073 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.603 5.287 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.464 6.592 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.282 4.998 1.438 1.00 0.00 H new ATOM 77 N TYR A 6 0.970 5.012 3.803 1.00 0.00 N ATOM 78 CA TYR A 6 2.174 4.371 4.395 1.00 0.00 C ATOM 79 C TYR A 6 2.280 2.939 3.857 1.00 0.00 C ATOM 80 O TYR A 6 1.297 2.256 3.695 1.00 0.00 O ATOM 81 CB TYR A 6 2.044 4.359 5.924 1.00 0.00 C ATOM 82 CG TYR A 6 2.914 3.272 6.519 1.00 0.00 C ATOM 83 CD1 TYR A 6 4.287 3.487 6.692 1.00 0.00 C ATOM 84 CD2 TYR A 6 2.345 2.049 6.897 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.089 2.481 7.243 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.148 1.043 7.448 1.00 0.00 C ATOM 87 CZ TYR A 6 4.520 1.259 7.621 1.00 0.00 C ATOM 88 OH TYR A 6 5.311 0.268 8.164 1.00 0.00 O ATOM 0 H TYR A 6 0.154 4.405 3.722 1.00 0.00 H new ATOM 0 HA TYR A 6 3.072 4.927 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.335 5.329 6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.004 4.196 6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.727 4.429 6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.286 1.882 6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.148 2.648 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.709 0.100 7.740 1.00 0.00 H new ATOM 0 HH TYR A 6 4.759 -0.514 8.372 1.00 0.00 H new ATOM 98 N ILE A 7 3.465 2.486 3.578 1.00 0.00 N ATOM 99 CA ILE A 7 3.638 1.101 3.054 1.00 0.00 C ATOM 100 C ILE A 7 5.078 0.675 3.311 1.00 0.00 C ATOM 101 O ILE A 7 5.962 1.501 3.390 1.00 0.00 O ATOM 102 CB ILE A 7 3.354 1.068 1.547 1.00 0.00 C ATOM 103 CG1 ILE A 7 4.520 1.705 0.784 1.00 0.00 C ATOM 104 CG2 ILE A 7 2.076 1.847 1.245 1.00 0.00 C ATOM 105 CD1 ILE A 7 5.596 0.650 0.526 1.00 0.00 C ATOM 0 H ILE A 7 4.329 3.016 3.690 1.00 0.00 H new ATOM 0 HA ILE A 7 2.944 0.424 3.552 1.00 0.00 H new ATOM 0 HB ILE A 7 3.235 0.031 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.168 2.119 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.937 2.532 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.879 1.821 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.240 1.396 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.196 2.882 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.426 1.102 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.955 0.257 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.175 -0.162 -0.066 1.00 0.00 H new ATOM 117 N ALA A 8 5.336 -0.592 3.448 1.00 0.00 N ATOM 118 CA ALA A 8 6.741 -1.009 3.707 1.00 0.00 C ATOM 119 C ALA A 8 7.028 -2.345 3.057 1.00 0.00 C ATOM 120 O ALA A 8 6.212 -2.892 2.344 1.00 0.00 O ATOM 121 CB ALA A 8 6.958 -1.160 5.200 1.00 0.00 C ATOM 0 H ALA A 8 4.651 -1.346 3.394 1.00 0.00 H new ATOM 0 HA ALA A 8 7.403 -0.248 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.987 -1.465 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.766 -0.207 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.277 -1.916 5.592 1.00 0.00 H new ATOM 127 N PHE A 9 8.184 -2.890 3.317 1.00 0.00 N ATOM 128 CA PHE A 9 8.506 -4.198 2.724 1.00 0.00 C ATOM 129 C PHE A 9 9.254 -5.093 3.699 1.00 0.00 C ATOM 130 O PHE A 9 9.665 -4.695 4.770 1.00 0.00 O ATOM 131 CB PHE A 9 9.321 -4.029 1.444 1.00 0.00 C ATOM 132 CG PHE A 9 8.511 -4.660 0.367 1.00 0.00 C ATOM 133 CD1 PHE A 9 7.301 -4.071 0.000 1.00 0.00 C ATOM 134 CD2 PHE A 9 8.906 -5.877 -0.199 1.00 0.00 C ATOM 135 CE1 PHE A 9 6.483 -4.687 -0.937 1.00 0.00 C ATOM 136 CE2 PHE A 9 8.089 -6.491 -1.146 1.00 0.00 C ATOM 137 CZ PHE A 9 6.874 -5.898 -1.518 1.00 0.00 C ATOM 0 H PHE A 9 8.908 -2.483 3.910 1.00 0.00 H new ATOM 0 HA PHE A 9 7.559 -4.680 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.503 -2.976 1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.296 -4.509 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.000 -3.134 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.837 -6.337 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.545 -4.231 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.392 -7.426 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.241 -6.375 -2.252 1.00 0.00 H new ATOM 147 N GLN A 10 9.408 -6.316 3.300 1.00 0.00 N ATOM 148 CA GLN A 10 10.115 -7.329 4.150 1.00 0.00 C ATOM 149 C GLN A 10 10.075 -8.711 3.478 1.00 0.00 C ATOM 150 O GLN A 10 9.051 -9.386 3.454 1.00 0.00 O ATOM 151 CB GLN A 10 9.458 -7.409 5.530 1.00 0.00 C ATOM 152 CG GLN A 10 7.941 -7.364 5.380 1.00 0.00 C ATOM 153 CD GLN A 10 7.374 -6.251 6.262 1.00 0.00 C ATOM 154 OE1 GLN A 10 6.814 -5.213 5.703 1.00 0.00 O flip ATOM 155 NE2 GLN A 10 7.440 -6.326 7.473 1.00 0.00 N flip ATOM 0 H GLN A 10 9.071 -6.673 2.406 1.00 0.00 H new ATOM 0 HA GLN A 10 11.154 -7.020 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.756 -8.329 6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.796 -6.581 6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.673 -7.189 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.508 -8.323 5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.877 -7.137 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.058 -5.578 8.052 1.00 0.00 H new ATOM 164 N ASP A 11 11.191 -9.134 2.936 1.00 0.00 N ATOM 165 CA ASP A 11 11.259 -10.465 2.265 1.00 0.00 C ATOM 166 C ASP A 11 12.106 -11.430 3.097 1.00 0.00 C ATOM 167 O ASP A 11 12.276 -11.264 4.289 1.00 0.00 O ATOM 168 CB ASP A 11 11.901 -10.301 0.884 1.00 0.00 C ATOM 169 CG ASP A 11 11.146 -11.152 -0.139 1.00 0.00 C ATOM 170 OD1 ASP A 11 10.493 -12.097 0.271 1.00 0.00 O ATOM 171 OD2 ASP A 11 11.235 -10.843 -1.316 1.00 0.00 O ATOM 0 H ASP A 11 12.064 -8.607 2.931 1.00 0.00 H new ATOM 0 HA ASP A 11 10.250 -10.866 2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.881 -9.253 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.948 -10.602 0.921 1.00 0.00 H new ATOM 176 N ASN A 12 12.649 -12.430 2.460 1.00 0.00 N ATOM 177 CA ASN A 12 13.505 -13.414 3.178 1.00 0.00 C ATOM 178 C ASN A 12 14.828 -13.547 2.420 1.00 0.00 C ATOM 179 O ASN A 12 15.883 -13.212 2.923 1.00 0.00 O ATOM 180 CB ASN A 12 12.800 -14.771 3.219 1.00 0.00 C ATOM 181 CG ASN A 12 13.398 -15.624 4.339 1.00 0.00 C ATOM 182 OD1 ASN A 12 14.593 -15.612 4.556 1.00 0.00 O ATOM 183 ND2 ASN A 12 12.611 -16.371 5.065 1.00 0.00 N ATOM 0 H ASN A 12 12.535 -12.609 1.462 1.00 0.00 H new ATOM 0 HA ASN A 12 13.689 -13.078 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.731 -14.633 3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.911 -15.280 2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.000 -16.944 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.607 -16.382 4.883 1.00 0.00 H new ATOM 190 N ASP A 13 14.773 -14.020 1.205 1.00 0.00 N ATOM 191 CA ASP A 13 16.015 -14.163 0.396 1.00 0.00 C ATOM 192 C ASP A 13 15.898 -13.286 -0.850 1.00 0.00 C ATOM 193 O ASP A 13 16.873 -13.005 -1.519 1.00 0.00 O ATOM 194 CB ASP A 13 16.191 -15.626 -0.018 1.00 0.00 C ATOM 195 CG ASP A 13 17.459 -15.772 -0.863 1.00 0.00 C ATOM 196 OD1 ASP A 13 18.533 -15.793 -0.284 1.00 0.00 O ATOM 197 OD2 ASP A 13 17.334 -15.860 -2.073 1.00 0.00 O ATOM 0 H ASP A 13 13.916 -14.315 0.736 1.00 0.00 H new ATOM 0 HA ASP A 13 16.878 -13.853 0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.257 -16.259 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.323 -15.961 -0.586 1.00 0.00 H new ATOM 202 N ASN A 14 14.711 -12.839 -1.157 1.00 0.00 N ATOM 203 CA ASN A 14 14.527 -11.968 -2.349 1.00 0.00 C ATOM 204 C ASN A 14 14.877 -10.526 -1.972 1.00 0.00 C ATOM 205 O ASN A 14 14.672 -9.608 -2.742 1.00 0.00 O ATOM 206 CB ASN A 14 13.071 -12.036 -2.813 1.00 0.00 C ATOM 207 CG ASN A 14 13.003 -12.703 -4.188 1.00 0.00 C ATOM 208 OD1 ASN A 14 13.215 -11.986 -5.258 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 12.753 -13.888 -4.291 1.00 0.00 N flip ATOM 0 H ASN A 14 13.860 -13.041 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 14 15.177 -12.306 -3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.475 -12.599 -2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.647 -11.033 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.587 -14.449 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.709 -14.322 -5.213 1.00 0.00 H new ATOM 216 N ALA A 15 15.402 -10.321 -0.791 1.00 0.00 N ATOM 217 CA ALA A 15 15.768 -8.943 -0.361 1.00 0.00 C ATOM 218 C ALA A 15 16.439 -8.216 -1.525 1.00 0.00 C ATOM 219 O ALA A 15 16.300 -7.021 -1.687 1.00 0.00 O ATOM 220 CB ALA A 15 16.734 -9.018 0.824 1.00 0.00 C ATOM 0 H ALA A 15 15.592 -11.052 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 15 14.871 -8.401 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 15 17.002 -8.010 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.255 -9.541 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.634 -9.557 0.526 1.00 0.00 H new ATOM 226 N ARG A 16 17.159 -8.932 -2.343 1.00 0.00 N ATOM 227 CA ARG A 16 17.830 -8.280 -3.504 1.00 0.00 C ATOM 228 C ARG A 16 16.798 -7.458 -4.279 1.00 0.00 C ATOM 229 O ARG A 16 16.955 -6.267 -4.471 1.00 0.00 O ATOM 230 CB ARG A 16 18.429 -9.357 -4.415 1.00 0.00 C ATOM 231 CG ARG A 16 18.759 -8.756 -5.785 1.00 0.00 C ATOM 232 CD ARG A 16 19.798 -9.630 -6.492 1.00 0.00 C ATOM 233 NE ARG A 16 21.163 -9.238 -6.042 1.00 0.00 N ATOM 234 CZ ARG A 16 22.183 -10.019 -6.280 1.00 0.00 C ATOM 235 NH1 ARG A 16 22.016 -11.139 -6.931 1.00 0.00 N ATOM 236 NH2 ARG A 16 23.373 -9.677 -5.869 1.00 0.00 N ATOM 0 H ARG A 16 17.312 -9.937 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 16 18.627 -7.625 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 16 19.331 -9.769 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 16 17.725 -10.181 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.855 -8.686 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.142 -7.742 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 16 19.617 -10.681 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 16 19.712 -9.514 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 16 21.302 -8.357 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 21.087 -11.407 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.815 -11.746 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.506 -8.801 -5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.171 -10.285 -6.054 1.00 0.00 H new ATOM 250 N TYR A 17 15.742 -8.080 -4.721 1.00 0.00 N ATOM 251 CA TYR A 17 14.705 -7.328 -5.475 1.00 0.00 C ATOM 252 C TYR A 17 14.113 -6.245 -4.575 1.00 0.00 C ATOM 253 O TYR A 17 13.731 -5.191 -5.033 1.00 0.00 O ATOM 254 CB TYR A 17 13.604 -8.284 -5.929 1.00 0.00 C ATOM 255 CG TYR A 17 13.955 -8.833 -7.288 1.00 0.00 C ATOM 256 CD1 TYR A 17 15.118 -9.594 -7.455 1.00 0.00 C ATOM 257 CD2 TYR A 17 13.122 -8.579 -8.383 1.00 0.00 C ATOM 258 CE1 TYR A 17 15.448 -10.102 -8.716 1.00 0.00 C ATOM 259 CE2 TYR A 17 13.451 -9.088 -9.645 1.00 0.00 C ATOM 260 CZ TYR A 17 14.614 -9.849 -9.812 1.00 0.00 C ATOM 261 OH TYR A 17 14.939 -10.349 -11.056 1.00 0.00 O ATOM 0 H TYR A 17 15.553 -9.074 -4.593 1.00 0.00 H new ATOM 0 HA TYR A 17 15.156 -6.864 -6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.494 -9.098 -5.212 1.00 0.00 H new ATOM 0 HB3 TYR A 17 12.647 -7.763 -5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 17 15.761 -9.789 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.226 -7.991 -8.255 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.345 -10.689 -8.844 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.807 -8.893 -10.490 1.00 0.00 H new ATOM 0 HH TYR A 17 14.255 -10.082 -11.705 1.00 0.00 H new ATOM 271 N VAL A 18 14.040 -6.490 -3.296 1.00 0.00 N ATOM 272 CA VAL A 18 13.480 -5.459 -2.379 1.00 0.00 C ATOM 273 C VAL A 18 14.286 -4.170 -2.535 1.00 0.00 C ATOM 274 O VAL A 18 13.741 -3.085 -2.573 1.00 0.00 O ATOM 275 CB VAL A 18 13.570 -5.948 -0.934 1.00 0.00 C ATOM 276 CG1 VAL A 18 13.239 -4.796 0.016 1.00 0.00 C ATOM 277 CG2 VAL A 18 12.572 -7.087 -0.718 1.00 0.00 C ATOM 0 H VAL A 18 14.342 -7.355 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 18 12.434 -5.276 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 18 14.580 -6.306 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.303 -5.145 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.949 -3.983 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.229 -4.438 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.636 -7.436 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.562 -6.729 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.806 -7.909 -1.395 1.00 0.00 H new ATOM 287 N VAL A 19 15.583 -4.283 -2.639 1.00 0.00 N ATOM 288 CA VAL A 19 16.425 -3.068 -2.807 1.00 0.00 C ATOM 289 C VAL A 19 16.171 -2.489 -4.198 1.00 0.00 C ATOM 290 O VAL A 19 16.248 -1.294 -4.414 1.00 0.00 O ATOM 291 CB VAL A 19 17.901 -3.448 -2.672 1.00 0.00 C ATOM 292 CG1 VAL A 19 18.775 -2.220 -2.935 1.00 0.00 C ATOM 293 CG2 VAL A 19 18.164 -3.969 -1.257 1.00 0.00 C ATOM 0 H VAL A 19 16.094 -5.165 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 19 16.175 -2.330 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 19 18.143 -4.224 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.826 -2.494 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.588 -1.849 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.535 -1.441 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.215 -4.240 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.920 -3.192 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.544 -4.846 -1.071 1.00 0.00 H new ATOM 303 N GLU A 20 15.864 -3.334 -5.143 1.00 0.00 N ATOM 304 CA GLU A 20 15.599 -2.849 -6.525 1.00 0.00 C ATOM 305 C GLU A 20 14.378 -1.927 -6.516 1.00 0.00 C ATOM 306 O GLU A 20 14.412 -0.830 -7.038 1.00 0.00 O ATOM 307 CB GLU A 20 15.338 -4.047 -7.439 1.00 0.00 C ATOM 308 CG GLU A 20 15.165 -3.560 -8.879 1.00 0.00 C ATOM 309 CD GLU A 20 16.536 -3.251 -9.483 1.00 0.00 C ATOM 310 OE1 GLU A 20 17.199 -4.183 -9.907 1.00 0.00 O ATOM 311 OE2 GLU A 20 16.901 -2.087 -9.509 1.00 0.00 O ATOM 0 H GLU A 20 15.785 -4.343 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 20 16.463 -2.295 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.167 -4.752 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.444 -4.579 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.658 -4.321 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.538 -2.669 -8.900 1.00 0.00 H new ATOM 318 N ALA A 21 13.300 -2.357 -5.920 1.00 0.00 N ATOM 319 CA ALA A 21 12.086 -1.500 -5.873 1.00 0.00 C ATOM 320 C ALA A 21 12.405 -0.229 -5.085 1.00 0.00 C ATOM 321 O ALA A 21 11.990 0.855 -5.440 1.00 0.00 O ATOM 322 CB ALA A 21 10.950 -2.258 -5.183 1.00 0.00 C ATOM 0 H ALA A 21 13.209 -3.265 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 21 11.780 -1.239 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.061 -1.629 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.729 -3.169 -5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.250 -2.517 -4.168 1.00 0.00 H new ATOM 328 N ILE A 22 13.145 -0.356 -4.016 1.00 0.00 N ATOM 329 CA ILE A 22 13.497 0.844 -3.207 1.00 0.00 C ATOM 330 C ILE A 22 14.047 1.928 -4.136 1.00 0.00 C ATOM 331 O ILE A 22 13.709 3.089 -4.017 1.00 0.00 O ATOM 332 CB ILE A 22 14.545 0.455 -2.154 1.00 0.00 C ATOM 333 CG1 ILE A 22 13.835 -0.165 -0.951 1.00 0.00 C ATOM 334 CG2 ILE A 22 15.324 1.693 -1.694 1.00 0.00 C ATOM 335 CD1 ILE A 22 12.927 0.883 -0.304 1.00 0.00 C ATOM 0 H ILE A 22 13.520 -1.239 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 22 12.613 1.228 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 22 15.242 -0.260 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.247 -1.027 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.567 -0.525 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 22 16.063 1.401 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 22 15.829 2.143 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 22 14.634 2.416 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.419 0.444 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.527 1.732 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.187 1.221 -1.030 1.00 0.00 H new ATOM 347 N ILE A 23 14.886 1.561 -5.066 1.00 0.00 N ATOM 348 CA ILE A 23 15.441 2.578 -6.001 1.00 0.00 C ATOM 349 C ILE A 23 14.325 3.068 -6.924 1.00 0.00 C ATOM 350 O ILE A 23 14.291 4.216 -7.321 1.00 0.00 O ATOM 351 CB ILE A 23 16.559 1.950 -6.833 1.00 0.00 C ATOM 352 CG1 ILE A 23 17.645 1.417 -5.897 1.00 0.00 C ATOM 353 CG2 ILE A 23 17.159 3.003 -7.766 1.00 0.00 C ATOM 354 CD1 ILE A 23 18.305 2.584 -5.157 1.00 0.00 C ATOM 0 H ILE A 23 15.209 0.606 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 23 15.844 3.418 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 23 16.155 1.131 -7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 23 17.211 0.718 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 23 18.393 0.866 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.956 2.553 -8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.384 3.384 -8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 23 17.566 3.824 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 23 19.078 2.202 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 23 18.753 3.266 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 23 17.554 3.116 -4.573 1.00 0.00 H new ATOM 366 N GLN A 24 13.408 2.205 -7.263 1.00 0.00 N ATOM 367 CA GLN A 24 12.288 2.617 -8.154 1.00 0.00 C ATOM 368 C GLN A 24 11.116 3.113 -7.303 1.00 0.00 C ATOM 369 O GLN A 24 10.056 3.420 -7.810 1.00 0.00 O ATOM 370 CB GLN A 24 11.837 1.419 -8.994 1.00 0.00 C ATOM 371 CG GLN A 24 12.532 1.459 -10.357 1.00 0.00 C ATOM 372 CD GLN A 24 13.957 0.921 -10.218 1.00 0.00 C ATOM 373 OE1 GLN A 24 14.905 1.680 -10.193 1.00 0.00 O ATOM 374 NE2 GLN A 24 14.149 -0.366 -10.126 1.00 0.00 N ATOM 0 H GLN A 24 13.386 1.231 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 24 12.623 3.418 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.078 0.489 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.755 1.440 -9.125 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.975 0.862 -11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.553 2.480 -10.737 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.353 -1.003 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.095 -0.735 -10.033 1.00 0.00 H new ATOM 383 N ASP A 25 11.298 3.195 -6.012 1.00 0.00 N ATOM 384 CA ASP A 25 10.192 3.671 -5.134 1.00 0.00 C ATOM 385 C ASP A 25 10.616 4.966 -4.443 1.00 0.00 C ATOM 386 O ASP A 25 9.817 5.645 -3.832 1.00 0.00 O ATOM 387 CB ASP A 25 9.888 2.609 -4.076 1.00 0.00 C ATOM 388 CG ASP A 25 8.441 2.135 -4.228 1.00 0.00 C ATOM 389 OD1 ASP A 25 8.012 1.958 -5.356 1.00 0.00 O ATOM 390 OD2 ASP A 25 7.787 1.960 -3.213 1.00 0.00 O ATOM 0 H ASP A 25 12.163 2.953 -5.529 1.00 0.00 H new ATOM 0 HA ASP A 25 9.301 3.851 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.571 1.766 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.044 3.019 -3.078 1.00 0.00 H new ATOM 395 N ASN A 26 11.871 5.304 -4.522 1.00 0.00 N ATOM 396 CA ASN A 26 12.355 6.547 -3.858 1.00 0.00 C ATOM 397 C ASN A 26 12.205 7.752 -4.797 1.00 0.00 C ATOM 398 O ASN A 26 11.400 8.627 -4.546 1.00 0.00 O ATOM 399 CB ASN A 26 13.822 6.371 -3.485 1.00 0.00 C ATOM 400 CG ASN A 26 13.924 5.719 -2.106 1.00 0.00 C ATOM 401 OD1 ASN A 26 14.783 6.065 -1.319 1.00 0.00 O ATOM 402 ND2 ASN A 26 13.078 4.782 -1.780 1.00 0.00 N ATOM 0 H ASN A 26 12.586 4.772 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 26 11.760 6.728 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.326 5.754 -4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.325 7.338 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.137 4.338 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.358 4.493 -2.442 1.00 0.00 H new ATOM 409 N PRO A 27 12.995 7.768 -5.846 1.00 0.00 N ATOM 410 CA PRO A 27 12.906 8.914 -6.784 1.00 0.00 C ATOM 411 C PRO A 27 11.443 9.299 -7.010 1.00 0.00 C ATOM 412 O PRO A 27 11.125 10.438 -7.290 1.00 0.00 O ATOM 413 CB PRO A 27 13.537 8.433 -8.094 1.00 0.00 C ATOM 414 CG PRO A 27 14.006 6.980 -7.881 1.00 0.00 C ATOM 415 CD PRO A 27 13.651 6.583 -6.443 1.00 0.00 C ATOM 0 HA PRO A 27 13.417 9.794 -6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.815 8.487 -8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.377 9.070 -8.370 1.00 0.00 H new ATOM 0 HG2 PRO A 27 13.520 6.313 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.080 6.896 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 27 12.986 5.720 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.544 6.307 -5.882 1.00 0.00 H new ATOM 423 N HIS A 28 10.551 8.358 -6.886 1.00 0.00 N ATOM 424 CA HIS A 28 9.112 8.666 -7.088 1.00 0.00 C ATOM 425 C HIS A 28 8.450 8.890 -5.728 1.00 0.00 C ATOM 426 O HIS A 28 7.614 9.757 -5.571 1.00 0.00 O ATOM 427 CB HIS A 28 8.440 7.489 -7.798 1.00 0.00 C ATOM 428 CG HIS A 28 7.506 8.005 -8.857 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.806 9.192 -8.711 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.148 7.507 -10.085 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.068 9.367 -9.822 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.240 8.368 -10.693 1.00 0.00 N ATOM 0 H HIS A 28 10.758 7.387 -6.653 1.00 0.00 H new ATOM 0 HA HIS A 28 9.007 9.565 -7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.195 6.844 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.890 6.883 -7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.515 6.587 -10.514 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.416 10.212 -9.990 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.800 8.260 -11.607 1.00 0.00 H new ATOM 440 N ALA A 29 8.816 8.117 -4.739 1.00 0.00 N ATOM 441 CA ALA A 29 8.201 8.297 -3.392 1.00 0.00 C ATOM 442 C ALA A 29 9.179 9.030 -2.473 1.00 0.00 C ATOM 443 O ALA A 29 10.083 9.708 -2.921 1.00 0.00 O ATOM 444 CB ALA A 29 7.864 6.932 -2.792 1.00 0.00 C ATOM 0 H ALA A 29 9.510 7.373 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 29 7.288 8.884 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.415 7.068 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.161 6.412 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.775 6.342 -2.697 1.00 0.00 H new ATOM 450 N VAL A 30 9.008 8.889 -1.186 1.00 0.00 N ATOM 451 CA VAL A 30 9.928 9.564 -0.230 1.00 0.00 C ATOM 452 C VAL A 30 11.014 8.568 0.197 1.00 0.00 C ATOM 453 O VAL A 30 11.666 7.968 -0.634 1.00 0.00 O ATOM 454 CB VAL A 30 9.130 10.039 0.986 1.00 0.00 C ATOM 455 CG1 VAL A 30 9.939 11.087 1.750 1.00 0.00 C ATOM 456 CG2 VAL A 30 7.810 10.655 0.519 1.00 0.00 C ATOM 0 H VAL A 30 8.268 8.334 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 30 10.399 10.428 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 30 8.925 9.191 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.370 11.425 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.880 10.649 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.144 11.935 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.240 10.994 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.015 11.503 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.232 9.908 -0.026 1.00 0.00 H new ATOM 466 N VAL A 31 11.221 8.374 1.475 1.00 0.00 N ATOM 467 CA VAL A 31 12.269 7.404 1.910 1.00 0.00 C ATOM 468 C VAL A 31 12.031 7.006 3.368 1.00 0.00 C ATOM 469 O VAL A 31 11.656 7.817 4.192 1.00 0.00 O ATOM 470 CB VAL A 31 13.667 8.031 1.782 1.00 0.00 C ATOM 471 CG1 VAL A 31 14.596 7.066 1.043 1.00 0.00 C ATOM 472 CG2 VAL A 31 13.594 9.349 1.004 1.00 0.00 C ATOM 0 H VAL A 31 10.715 8.840 2.228 1.00 0.00 H new ATOM 0 HA VAL A 31 12.212 6.523 1.271 1.00 0.00 H new ATOM 0 HB VAL A 31 14.052 8.228 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.587 7.512 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.668 6.132 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.196 6.866 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.592 9.779 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.198 9.161 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.940 10.046 1.529 1.00 0.00 H new ATOM 482 N GLN A 32 12.254 5.761 3.692 1.00 0.00 N ATOM 483 CA GLN A 32 12.049 5.304 5.095 1.00 0.00 C ATOM 484 C GLN A 32 12.516 3.852 5.232 1.00 0.00 C ATOM 485 O GLN A 32 11.784 2.925 4.949 1.00 0.00 O ATOM 486 CB GLN A 32 10.566 5.399 5.455 1.00 0.00 C ATOM 487 CG GLN A 32 10.381 6.415 6.583 1.00 0.00 C ATOM 488 CD GLN A 32 9.139 6.052 7.398 1.00 0.00 C ATOM 489 OE1 GLN A 32 9.075 6.316 8.582 1.00 0.00 O ATOM 490 NE2 GLN A 32 8.141 5.451 6.809 1.00 0.00 N ATOM 0 H GLN A 32 12.570 5.040 3.044 1.00 0.00 H new ATOM 0 HA GLN A 32 12.625 5.937 5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.987 5.699 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.192 4.423 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.261 6.424 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.277 7.418 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.194 5.229 5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.308 5.203 7.343 1.00 0.00 H new ATOM 499 N HIS A 33 13.731 3.647 5.662 1.00 0.00 N ATOM 500 CA HIS A 33 14.243 2.255 5.815 1.00 0.00 C ATOM 501 C HIS A 33 14.514 1.970 7.294 1.00 0.00 C ATOM 502 O HIS A 33 14.714 2.872 8.083 1.00 0.00 O ATOM 503 CB HIS A 33 15.543 2.101 5.022 1.00 0.00 C ATOM 504 CG HIS A 33 15.387 0.997 4.013 1.00 0.00 C ATOM 505 ND1 HIS A 33 15.965 -0.251 4.187 1.00 0.00 N ATOM 506 CD2 HIS A 33 14.724 0.939 2.812 1.00 0.00 C ATOM 507 CE1 HIS A 33 15.642 -1.000 3.116 1.00 0.00 C ATOM 508 NE2 HIS A 33 14.887 -0.322 2.248 1.00 0.00 N ATOM 0 H HIS A 33 14.391 4.383 5.914 1.00 0.00 H new ATOM 0 HA HIS A 33 13.500 1.552 5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 33 15.787 3.036 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 33 16.369 1.877 5.697 1.00 0.00 H new ATOM 0 HD1 HIS A 33 16.532 -0.548 4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.161 1.749 2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.955 -2.024 2.976 1.00 0.00 H new ATOM 516 N HIS A 34 14.522 0.721 7.678 1.00 0.00 N ATOM 517 CA HIS A 34 14.782 0.383 9.106 1.00 0.00 C ATOM 518 C HIS A 34 16.064 -0.447 9.210 1.00 0.00 C ATOM 519 O HIS A 34 16.822 -0.538 8.265 1.00 0.00 O ATOM 520 CB HIS A 34 13.606 -0.423 9.659 1.00 0.00 C ATOM 521 CG HIS A 34 12.884 0.391 10.698 1.00 0.00 C ATOM 522 ND1 HIS A 34 12.568 0.133 12.008 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 12.389 1.658 10.431 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 11.887 1.220 12.548 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 11.807 2.111 11.556 1.00 0.00 N flip ATOM 0 H HIS A 34 14.360 -0.078 7.065 1.00 0.00 H new ATOM 0 HA HIS A 34 14.898 1.301 9.682 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.923 -0.690 8.852 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.964 -1.355 10.096 1.00 0.00 H new ATOM 0 HD2 HIS A 34 12.458 2.185 9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.505 1.321 13.553 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.359 3.024 11.641 1.00 0.00 H new ATOM 533 N PRO A 35 16.264 -1.025 10.364 1.00 0.00 N ATOM 534 CA PRO A 35 17.481 -1.845 10.554 1.00 0.00 C ATOM 535 C PRO A 35 17.204 -3.305 10.177 1.00 0.00 C ATOM 536 O PRO A 35 17.962 -4.195 10.506 1.00 0.00 O ATOM 537 CB PRO A 35 17.827 -1.735 12.044 1.00 0.00 C ATOM 538 CG PRO A 35 16.756 -0.842 12.706 1.00 0.00 C ATOM 539 CD PRO A 35 15.782 -0.392 11.610 1.00 0.00 C ATOM 0 HA PRO A 35 18.301 -1.501 9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.843 -2.721 12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.820 -1.305 12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.228 -1.392 13.485 1.00 0.00 H new ATOM 0 HG3 PRO A 35 17.220 0.021 13.184 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.763 -0.704 11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.770 0.694 11.518 1.00 0.00 H new ATOM 547 N ALA A 36 16.124 -3.557 9.488 1.00 0.00 N ATOM 548 CA ALA A 36 15.800 -4.957 9.090 1.00 0.00 C ATOM 549 C ALA A 36 14.843 -4.932 7.897 1.00 0.00 C ATOM 550 O ALA A 36 15.235 -5.158 6.770 1.00 0.00 O ATOM 551 CB ALA A 36 15.138 -5.681 10.264 1.00 0.00 C ATOM 0 H ALA A 36 15.452 -2.853 9.183 1.00 0.00 H new ATOM 0 HA ALA A 36 16.715 -5.481 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.901 -6.704 9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.820 -5.694 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.221 -5.161 10.542 1.00 0.00 H new ATOM 557 N MET A 37 13.593 -4.647 8.135 1.00 0.00 N ATOM 558 CA MET A 37 12.614 -4.593 7.014 1.00 0.00 C ATOM 559 C MET A 37 12.685 -3.207 6.371 1.00 0.00 C ATOM 560 O MET A 37 13.273 -2.296 6.919 1.00 0.00 O ATOM 561 CB MET A 37 11.204 -4.833 7.558 1.00 0.00 C ATOM 562 CG MET A 37 10.918 -3.841 8.688 1.00 0.00 C ATOM 563 SD MET A 37 10.836 -4.727 10.264 1.00 0.00 S ATOM 564 CE MET A 37 10.421 -3.304 11.303 1.00 0.00 C ATOM 0 H MET A 37 13.207 -4.449 9.058 1.00 0.00 H new ATOM 0 HA MET A 37 12.848 -5.359 6.275 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.470 -4.714 6.761 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.113 -5.855 7.925 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.699 -3.082 8.726 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.978 -3.322 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.320 -3.627 12.339 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.212 -2.558 11.231 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.480 -2.869 10.966 1.00 0.00 H new ATOM 574 N ILE A 38 12.096 -3.027 5.220 1.00 0.00 N ATOM 575 CA ILE A 38 12.155 -1.676 4.581 1.00 0.00 C ATOM 576 C ILE A 38 10.855 -0.921 4.892 1.00 0.00 C ATOM 577 O ILE A 38 9.881 -1.506 5.314 1.00 0.00 O ATOM 578 CB ILE A 38 12.372 -1.841 3.060 1.00 0.00 C ATOM 579 CG1 ILE A 38 11.780 -0.658 2.275 1.00 0.00 C ATOM 580 CG2 ILE A 38 11.730 -3.139 2.581 1.00 0.00 C ATOM 581 CD1 ILE A 38 10.254 -0.779 2.188 1.00 0.00 C ATOM 0 H ILE A 38 11.585 -3.741 4.700 1.00 0.00 H new ATOM 0 HA ILE A 38 12.989 -1.097 4.977 1.00 0.00 H new ATOM 0 HB ILE A 38 13.446 -1.869 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.049 0.280 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.206 -0.630 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.887 -3.248 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.183 -3.983 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.661 -3.115 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.853 0.067 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.991 -1.707 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.831 -0.783 3.193 1.00 0.00 H new ATOM 593 N ARG A 39 10.835 0.374 4.714 1.00 0.00 N ATOM 594 CA ARG A 39 9.594 1.148 5.014 1.00 0.00 C ATOM 595 C ARG A 39 9.383 2.214 3.935 1.00 0.00 C ATOM 596 O ARG A 39 10.290 2.554 3.203 1.00 0.00 O ATOM 597 CB ARG A 39 9.730 1.827 6.379 1.00 0.00 C ATOM 598 CG ARG A 39 8.868 1.092 7.406 1.00 0.00 C ATOM 599 CD ARG A 39 9.195 1.609 8.808 1.00 0.00 C ATOM 600 NE ARG A 39 8.466 2.887 9.047 1.00 0.00 N ATOM 601 CZ ARG A 39 8.356 3.363 10.259 1.00 0.00 C ATOM 602 NH1 ARG A 39 8.888 2.724 11.267 1.00 0.00 N ATOM 603 NH2 ARG A 39 7.714 4.480 10.464 1.00 0.00 N ATOM 0 H ARG A 39 11.622 0.928 4.375 1.00 0.00 H new ATOM 0 HA ARG A 39 8.741 0.470 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.773 1.824 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.421 2.870 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.811 1.246 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.052 0.019 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.910 0.869 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.269 1.766 8.908 1.00 0.00 H new ATOM 0 HE ARG A 39 8.052 3.391 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.391 1.851 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.800 3.098 12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.298 4.981 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.628 4.852 11.410 1.00 0.00 H new ATOM 617 N ILE A 40 8.193 2.747 3.828 1.00 0.00 N ATOM 618 CA ILE A 40 7.940 3.789 2.793 1.00 0.00 C ATOM 619 C ILE A 40 6.713 4.622 3.177 1.00 0.00 C ATOM 620 O ILE A 40 5.934 4.243 4.027 1.00 0.00 O ATOM 621 CB ILE A 40 7.692 3.116 1.441 1.00 0.00 C ATOM 622 CG1 ILE A 40 8.918 2.285 1.053 1.00 0.00 C ATOM 623 CG2 ILE A 40 7.440 4.187 0.377 1.00 0.00 C ATOM 624 CD1 ILE A 40 8.735 1.730 -0.361 1.00 0.00 C ATOM 0 H ILE A 40 7.391 2.506 4.410 1.00 0.00 H new ATOM 0 HA ILE A 40 8.810 4.442 2.725 1.00 0.00 H new ATOM 0 HB ILE A 40 6.821 2.465 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.817 2.900 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.055 1.467 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.263 3.708 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.567 4.777 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.310 4.839 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.609 1.139 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.846 1.100 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.620 2.555 -1.064 1.00 0.00 H new ATOM 636 N GLU A 41 6.539 5.755 2.552 1.00 0.00 N ATOM 637 CA GLU A 41 5.361 6.619 2.871 1.00 0.00 C ATOM 638 C GLU A 41 5.107 7.567 1.699 1.00 0.00 C ATOM 639 O GLU A 41 5.933 7.710 0.819 1.00 0.00 O ATOM 640 CB GLU A 41 5.651 7.430 4.136 1.00 0.00 C ATOM 641 CG GLU A 41 4.550 7.179 5.167 1.00 0.00 C ATOM 642 CD GLU A 41 4.056 8.516 5.722 1.00 0.00 C ATOM 643 OE1 GLU A 41 4.846 9.445 5.765 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.896 8.589 6.093 1.00 0.00 O ATOM 0 H GLU A 41 7.162 6.122 1.833 1.00 0.00 H new ATOM 0 HA GLU A 41 4.481 5.998 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.620 7.148 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.704 8.492 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.724 6.636 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.930 6.555 5.976 1.00 0.00 H new ATOM 651 N ALA A 42 3.973 8.214 1.667 1.00 0.00 N ATOM 652 CA ALA A 42 3.690 9.137 0.533 1.00 0.00 C ATOM 653 C ALA A 42 2.596 10.138 0.915 1.00 0.00 C ATOM 654 O ALA A 42 2.255 10.302 2.070 1.00 0.00 O ATOM 655 CB ALA A 42 3.230 8.323 -0.676 1.00 0.00 C ATOM 0 H ALA A 42 3.237 8.144 2.370 1.00 0.00 H new ATOM 0 HA ALA A 42 4.600 9.687 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.022 8.995 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.014 7.622 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.326 7.771 -0.420 1.00 0.00 H new ATOM 661 N GLU A 43 2.044 10.803 -0.064 1.00 0.00 N ATOM 662 CA GLU A 43 0.973 11.804 0.199 1.00 0.00 C ATOM 663 C GLU A 43 -0.110 11.673 -0.877 1.00 0.00 C ATOM 664 O GLU A 43 0.023 12.199 -1.965 1.00 0.00 O ATOM 665 CB GLU A 43 1.573 13.211 0.147 1.00 0.00 C ATOM 666 CG GLU A 43 2.442 13.351 -1.105 1.00 0.00 C ATOM 667 CD GLU A 43 1.784 14.333 -2.076 1.00 0.00 C ATOM 668 OE1 GLU A 43 1.811 15.520 -1.795 1.00 0.00 O ATOM 669 OE2 GLU A 43 1.267 13.882 -3.084 1.00 0.00 O ATOM 0 H GLU A 43 2.294 10.693 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 43 0.537 11.630 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.778 13.956 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.171 13.396 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.437 13.704 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.568 12.380 -1.583 1.00 0.00 H new ATOM 676 N LYS A 44 -1.177 10.964 -0.596 1.00 0.00 N ATOM 677 CA LYS A 44 -2.242 10.800 -1.626 1.00 0.00 C ATOM 678 C LYS A 44 -3.634 10.823 -0.983 1.00 0.00 C ATOM 679 O LYS A 44 -3.809 11.240 0.145 1.00 0.00 O ATOM 680 CB LYS A 44 -2.046 9.465 -2.343 1.00 0.00 C ATOM 681 CG LYS A 44 -0.555 9.229 -2.604 1.00 0.00 C ATOM 682 CD LYS A 44 -0.347 7.791 -3.086 1.00 0.00 C ATOM 683 CE LYS A 44 1.150 7.477 -3.149 1.00 0.00 C ATOM 684 NZ LYS A 44 1.857 8.565 -3.881 1.00 0.00 N ATOM 0 H LYS A 44 -1.353 10.497 0.294 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.170 11.626 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.451 8.654 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.594 9.464 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.189 9.932 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.018 9.406 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.846 7.096 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.797 7.659 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.554 7.380 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.311 6.523 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.821 8.255 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.341 8.787 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.903 9.414 -3.282 1.00 0.00 H new ATOM 698 N ARG A 45 -4.629 10.383 -1.714 1.00 0.00 N ATOM 699 CA ARG A 45 -6.025 10.379 -1.184 1.00 0.00 C ATOM 700 C ARG A 45 -6.913 9.545 -2.113 1.00 0.00 C ATOM 701 O ARG A 45 -6.499 9.151 -3.183 1.00 0.00 O ATOM 702 CB ARG A 45 -6.548 11.809 -1.167 1.00 0.00 C ATOM 703 CG ARG A 45 -6.657 12.297 -2.610 1.00 0.00 C ATOM 704 CD ARG A 45 -6.972 13.793 -2.624 1.00 0.00 C ATOM 705 NE ARG A 45 -8.179 14.036 -3.462 1.00 0.00 N ATOM 706 CZ ARG A 45 -8.806 15.179 -3.393 1.00 0.00 C ATOM 707 NH1 ARG A 45 -8.380 16.115 -2.587 1.00 0.00 N ATOM 708 NH2 ARG A 45 -9.862 15.387 -4.130 1.00 0.00 N ATOM 0 H ARG A 45 -4.531 10.024 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.037 9.958 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.521 11.852 -0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.876 12.452 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.724 12.107 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.439 11.746 -3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.143 14.149 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.123 14.351 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.517 13.308 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.555 15.954 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.872 17.007 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.197 14.657 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.353 16.279 -4.077 1.00 0.00 H new ATOM 722 N LEU A 46 -8.134 9.280 -1.723 1.00 0.00 N ATOM 723 CA LEU A 46 -9.039 8.477 -2.601 1.00 0.00 C ATOM 724 C LEU A 46 -10.497 8.700 -2.183 1.00 0.00 C ATOM 725 O LEU A 46 -10.804 8.799 -1.013 1.00 0.00 O ATOM 726 CB LEU A 46 -8.709 6.994 -2.436 1.00 0.00 C ATOM 727 CG LEU A 46 -8.406 6.327 -3.782 1.00 0.00 C ATOM 728 CD1 LEU A 46 -9.695 6.206 -4.582 1.00 0.00 C ATOM 729 CD2 LEU A 46 -7.377 7.142 -4.573 1.00 0.00 C ATOM 0 H LEU A 46 -8.542 9.583 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.900 8.785 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.850 6.884 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.547 6.486 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.989 5.336 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.485 5.732 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.412 5.601 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.112 7.198 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.177 6.650 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.769 8.142 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.452 7.214 -4.001 1.00 0.00 H new ATOM 741 N GLU A 47 -11.400 8.765 -3.126 1.00 0.00 N ATOM 742 CA GLU A 47 -12.834 8.963 -2.769 1.00 0.00 C ATOM 743 C GLU A 47 -13.708 8.068 -3.654 1.00 0.00 C ATOM 744 O GLU A 47 -13.470 7.933 -4.837 1.00 0.00 O ATOM 745 CB GLU A 47 -13.217 10.428 -2.988 1.00 0.00 C ATOM 746 CG GLU A 47 -14.224 10.855 -1.919 1.00 0.00 C ATOM 747 CD GLU A 47 -15.253 11.802 -2.537 1.00 0.00 C ATOM 748 OE1 GLU A 47 -15.505 11.678 -3.725 1.00 0.00 O ATOM 749 OE2 GLU A 47 -15.773 12.635 -1.813 1.00 0.00 O ATOM 0 H GLU A 47 -11.207 8.690 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.988 8.701 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.329 11.059 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.647 10.558 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.723 9.979 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.709 11.349 -1.095 1.00 0.00 H new ATOM 756 N ILE A 48 -14.718 7.455 -3.090 1.00 0.00 N ATOM 757 CA ILE A 48 -15.603 6.565 -3.902 1.00 0.00 C ATOM 758 C ILE A 48 -17.019 6.541 -3.312 1.00 0.00 C ATOM 759 O ILE A 48 -17.244 6.904 -2.170 1.00 0.00 O ATOM 760 CB ILE A 48 -15.046 5.137 -3.901 1.00 0.00 C ATOM 761 CG1 ILE A 48 -13.579 5.150 -4.335 1.00 0.00 C ATOM 762 CG2 ILE A 48 -15.853 4.275 -4.875 1.00 0.00 C ATOM 763 CD1 ILE A 48 -12.697 5.515 -3.140 1.00 0.00 C ATOM 0 H ILE A 48 -14.968 7.532 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 48 -15.639 6.951 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.121 4.725 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.295 4.172 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.433 5.869 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -15.458 3.259 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.898 4.258 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.779 4.693 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.652 5.524 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.975 6.502 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.835 4.779 -2.348 1.00 0.00 H new ATOM 775 N ARG A 49 -17.976 6.100 -4.084 1.00 0.00 N ATOM 776 CA ARG A 49 -19.376 6.036 -3.579 1.00 0.00 C ATOM 777 C ARG A 49 -19.687 4.610 -3.119 1.00 0.00 C ATOM 778 O ARG A 49 -18.807 3.865 -2.738 1.00 0.00 O ATOM 779 CB ARG A 49 -20.343 6.431 -4.698 1.00 0.00 C ATOM 780 CG ARG A 49 -19.700 7.504 -5.578 1.00 0.00 C ATOM 781 CD ARG A 49 -20.710 8.621 -5.840 1.00 0.00 C ATOM 782 NE ARG A 49 -20.976 8.723 -7.309 1.00 0.00 N ATOM 783 CZ ARG A 49 -19.996 8.780 -8.175 1.00 0.00 C ATOM 784 NH1 ARG A 49 -18.760 8.934 -7.778 1.00 0.00 N ATOM 785 NH2 ARG A 49 -20.262 8.739 -9.452 1.00 0.00 N ATOM 0 H ARG A 49 -17.847 5.781 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.490 6.723 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -20.596 5.557 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -21.274 6.806 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.814 7.908 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -19.372 7.067 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.638 8.419 -5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.325 9.569 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 49 -21.940 8.749 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.550 9.011 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.006 8.977 -8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.228 8.663 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.504 8.783 -10.133 1.00 0.00 H new ATOM 799 N ARG A 50 -20.934 4.225 -3.152 1.00 0.00 N ATOM 800 CA ARG A 50 -21.299 2.848 -2.715 1.00 0.00 C ATOM 801 C ARG A 50 -20.779 1.832 -3.733 1.00 0.00 C ATOM 802 O ARG A 50 -20.756 0.644 -3.481 1.00 0.00 O ATOM 803 CB ARG A 50 -22.821 2.731 -2.613 1.00 0.00 C ATOM 804 CG ARG A 50 -23.453 3.026 -3.975 1.00 0.00 C ATOM 805 CD ARG A 50 -24.939 2.671 -3.931 1.00 0.00 C ATOM 806 NE ARG A 50 -25.219 1.550 -4.885 1.00 0.00 N ATOM 807 CZ ARG A 50 -24.810 1.598 -6.127 1.00 0.00 C ATOM 808 NH1 ARG A 50 -24.306 2.697 -6.622 1.00 0.00 N ATOM 809 NH2 ARG A 50 -24.957 0.554 -6.896 1.00 0.00 N ATOM 0 H ARG A 50 -21.714 4.804 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.852 2.648 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -23.097 1.730 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -23.200 3.429 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -23.326 4.079 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -22.953 2.450 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.224 2.380 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -25.539 3.543 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 50 -25.738 0.734 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.228 3.530 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.991 2.722 -7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -25.389 -0.294 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.640 0.586 -7.865 1.00 0.00 H new ATOM 823 N GLU A 51 -20.362 2.287 -4.882 1.00 0.00 N ATOM 824 CA GLU A 51 -19.845 1.344 -5.912 1.00 0.00 C ATOM 825 C GLU A 51 -18.567 0.676 -5.401 1.00 0.00 C ATOM 826 O GLU A 51 -18.061 -0.261 -5.991 1.00 0.00 O ATOM 827 CB GLU A 51 -19.544 2.108 -7.201 1.00 0.00 C ATOM 828 CG GLU A 51 -18.933 1.152 -8.228 1.00 0.00 C ATOM 829 CD GLU A 51 -19.540 1.426 -9.605 1.00 0.00 C ATOM 830 OE1 GLU A 51 -20.663 1.900 -9.652 1.00 0.00 O ATOM 831 OE2 GLU A 51 -18.872 1.157 -10.589 1.00 0.00 O ATOM 0 H GLU A 51 -20.357 3.271 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.596 0.580 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.459 2.549 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.856 2.929 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.851 1.282 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.120 0.119 -7.935 1.00 0.00 H new ATOM 838 N THR A 52 -18.034 1.144 -4.306 1.00 0.00 N ATOM 839 CA THR A 52 -16.795 0.517 -3.778 1.00 0.00 C ATOM 840 C THR A 52 -17.071 -0.953 -3.477 1.00 0.00 C ATOM 841 O THR A 52 -16.257 -1.811 -3.750 1.00 0.00 O ATOM 842 CB THR A 52 -16.349 1.232 -2.502 1.00 0.00 C ATOM 843 OG1 THR A 52 -16.835 2.569 -2.517 1.00 0.00 O ATOM 844 CG2 THR A 52 -14.819 1.230 -2.434 1.00 0.00 C ATOM 0 H THR A 52 -18.399 1.925 -3.761 1.00 0.00 H new ATOM 0 HA THR A 52 -16.001 0.598 -4.520 1.00 0.00 H new ATOM 0 HB THR A 52 -16.748 0.718 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 52 -17.743 2.591 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.494 1.739 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.457 0.202 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.415 1.748 -3.304 1.00 0.00 H new ATOM 852 N VAL A 53 -18.218 -1.257 -2.932 1.00 0.00 N ATOM 853 CA VAL A 53 -18.536 -2.681 -2.641 1.00 0.00 C ATOM 854 C VAL A 53 -18.174 -3.506 -3.874 1.00 0.00 C ATOM 855 O VAL A 53 -17.715 -4.629 -3.780 1.00 0.00 O ATOM 856 CB VAL A 53 -20.030 -2.828 -2.343 1.00 0.00 C ATOM 857 CG1 VAL A 53 -20.357 -4.301 -2.090 1.00 0.00 C ATOM 858 CG2 VAL A 53 -20.387 -2.007 -1.102 1.00 0.00 C ATOM 0 H VAL A 53 -18.942 -0.585 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.972 -3.025 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 53 -20.607 -2.468 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -21.421 -4.406 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -20.104 -4.887 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.780 -4.661 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.451 -2.112 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.810 -2.366 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -20.154 -0.957 -1.281 1.00 0.00 H new ATOM 868 N GLU A 54 -18.350 -2.935 -5.034 1.00 0.00 N ATOM 869 CA GLU A 54 -17.994 -3.658 -6.283 1.00 0.00 C ATOM 870 C GLU A 54 -16.473 -3.755 -6.347 1.00 0.00 C ATOM 871 O GLU A 54 -15.915 -4.799 -6.622 1.00 0.00 O ATOM 872 CB GLU A 54 -18.519 -2.881 -7.495 1.00 0.00 C ATOM 873 CG GLU A 54 -17.815 -3.365 -8.765 1.00 0.00 C ATOM 874 CD GLU A 54 -18.856 -3.650 -9.849 1.00 0.00 C ATOM 875 OE1 GLU A 54 -19.924 -4.129 -9.506 1.00 0.00 O ATOM 876 OE2 GLU A 54 -18.567 -3.384 -11.004 1.00 0.00 O ATOM 0 H GLU A 54 -18.726 -1.996 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.438 -4.653 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -19.596 -3.020 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.347 -1.814 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.110 -2.610 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.239 -4.266 -8.553 1.00 0.00 H new ATOM 883 N GLU A 55 -15.797 -2.672 -6.078 1.00 0.00 N ATOM 884 CA GLU A 55 -14.310 -2.702 -6.103 1.00 0.00 C ATOM 885 C GLU A 55 -13.828 -3.921 -5.315 1.00 0.00 C ATOM 886 O GLU A 55 -12.971 -4.660 -5.756 1.00 0.00 O ATOM 887 CB GLU A 55 -13.764 -1.428 -5.454 1.00 0.00 C ATOM 888 CG GLU A 55 -13.994 -0.238 -6.386 1.00 0.00 C ATOM 889 CD GLU A 55 -12.646 0.368 -6.780 1.00 0.00 C ATOM 890 OE1 GLU A 55 -11.653 -0.335 -6.686 1.00 0.00 O ATOM 891 OE2 GLU A 55 -12.630 1.524 -7.170 1.00 0.00 O ATOM 0 H GLU A 55 -16.210 -1.770 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.957 -2.762 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.258 -1.255 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.700 -1.541 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.535 -0.559 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.611 0.512 -5.891 1.00 0.00 H new ATOM 898 N ASN A 56 -14.382 -4.140 -4.152 1.00 0.00 N ATOM 899 CA ASN A 56 -13.967 -5.315 -3.338 1.00 0.00 C ATOM 900 C ASN A 56 -14.273 -6.589 -4.121 1.00 0.00 C ATOM 901 O ASN A 56 -13.515 -7.538 -4.108 1.00 0.00 O ATOM 902 CB ASN A 56 -14.746 -5.329 -2.020 1.00 0.00 C ATOM 903 CG ASN A 56 -13.837 -5.824 -0.894 1.00 0.00 C ATOM 904 OD1 ASN A 56 -13.710 -5.180 0.128 1.00 0.00 O ATOM 905 ND2 ASN A 56 -13.195 -6.952 -1.039 1.00 0.00 N ATOM 0 H ASN A 56 -15.104 -3.555 -3.732 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.900 -5.256 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.113 -4.328 -1.792 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.619 -5.976 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.587 -7.292 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.302 -7.493 -1.897 1.00 0.00 H new ATOM 912 N LEU A 57 -15.382 -6.615 -4.808 1.00 0.00 N ATOM 913 CA LEU A 57 -15.737 -7.824 -5.601 1.00 0.00 C ATOM 914 C LEU A 57 -14.589 -8.151 -6.559 1.00 0.00 C ATOM 915 O LEU A 57 -14.064 -9.246 -6.562 1.00 0.00 O ATOM 916 CB LEU A 57 -17.013 -7.551 -6.404 1.00 0.00 C ATOM 917 CG LEU A 57 -17.292 -8.724 -7.348 1.00 0.00 C ATOM 918 CD1 LEU A 57 -18.105 -9.789 -6.613 1.00 0.00 C ATOM 919 CD2 LEU A 57 -18.083 -8.226 -8.559 1.00 0.00 C ATOM 0 H LEU A 57 -16.057 -5.851 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 57 -15.906 -8.667 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -17.856 -7.408 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.904 -6.630 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.347 -9.154 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -18.303 -10.624 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.543 -10.144 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -19.050 -9.360 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.282 -9.060 -9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.027 -7.796 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.504 -7.467 -9.084 1.00 0.00 H new ATOM 931 N GLY A 58 -14.194 -7.209 -7.373 1.00 0.00 N ATOM 932 CA GLY A 58 -13.080 -7.470 -8.327 1.00 0.00 C ATOM 933 C GLY A 58 -11.760 -7.559 -7.560 1.00 0.00 C ATOM 934 O GLY A 58 -10.738 -7.932 -8.104 1.00 0.00 O ATOM 0 H GLY A 58 -14.594 -6.272 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.261 -8.398 -8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.028 -6.673 -9.069 1.00 0.00 H new ATOM 938 N ARG A 59 -11.772 -7.219 -6.300 1.00 0.00 N ATOM 939 CA ARG A 59 -10.517 -7.282 -5.498 1.00 0.00 C ATOM 940 C ARG A 59 -10.400 -8.658 -4.839 1.00 0.00 C ATOM 941 O ARG A 59 -9.379 -9.001 -4.277 1.00 0.00 O ATOM 942 CB ARG A 59 -10.546 -6.200 -4.415 1.00 0.00 C ATOM 943 CG ARG A 59 -9.127 -5.681 -4.175 1.00 0.00 C ATOM 944 CD ARG A 59 -9.111 -4.157 -4.318 1.00 0.00 C ATOM 945 NE ARG A 59 -9.971 -3.550 -3.263 1.00 0.00 N ATOM 946 CZ ARG A 59 -9.890 -2.272 -3.004 1.00 0.00 C ATOM 947 NH1 ARG A 59 -9.059 -1.518 -3.671 1.00 0.00 N ATOM 948 NH2 ARG A 59 -10.643 -1.748 -2.076 1.00 0.00 N ATOM 0 H ARG A 59 -12.597 -6.900 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.661 -7.118 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.197 -5.381 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.957 -6.606 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.787 -5.967 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.438 -6.131 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.091 -3.783 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.471 -3.870 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.625 -4.134 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.470 -1.926 -4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.998 -0.521 -3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.293 -2.336 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.581 -0.750 -1.872 1.00 0.00 H new ATOM 962 N ALA A 60 -11.437 -9.448 -4.903 1.00 0.00 N ATOM 963 CA ALA A 60 -11.381 -10.800 -4.279 1.00 0.00 C ATOM 964 C ALA A 60 -10.062 -11.479 -4.652 1.00 0.00 C ATOM 965 O ALA A 60 -9.574 -12.338 -3.945 1.00 0.00 O ATOM 966 CB ALA A 60 -12.552 -11.645 -4.784 1.00 0.00 C ATOM 0 H ALA A 60 -12.319 -9.216 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.446 -10.703 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.511 -12.634 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -13.492 -11.161 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.489 -11.743 -5.868 1.00 0.00 H new ATOM 972 N TRP A 61 -9.478 -11.099 -5.757 1.00 0.00 N ATOM 973 CA TRP A 61 -8.190 -11.723 -6.170 1.00 0.00 C ATOM 974 C TRP A 61 -7.027 -10.949 -5.545 1.00 0.00 C ATOM 975 O TRP A 61 -6.010 -10.723 -6.170 1.00 0.00 O ATOM 976 CB TRP A 61 -8.072 -11.687 -7.694 1.00 0.00 C ATOM 977 CG TRP A 61 -6.979 -12.607 -8.132 1.00 0.00 C ATOM 978 CD1 TRP A 61 -6.649 -13.769 -7.522 1.00 0.00 C ATOM 979 CD2 TRP A 61 -6.070 -12.464 -9.261 1.00 0.00 C ATOM 980 NE1 TRP A 61 -5.593 -14.348 -8.205 1.00 0.00 N ATOM 981 CE2 TRP A 61 -5.201 -13.581 -9.285 1.00 0.00 C ATOM 982 CE3 TRP A 61 -5.916 -11.484 -10.257 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -4.214 -13.719 -10.262 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -4.924 -11.619 -11.242 1.00 0.00 C ATOM 985 CH2 TRP A 61 -4.076 -12.735 -11.244 1.00 0.00 C ATOM 0 H TRP A 61 -9.837 -10.384 -6.390 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.160 -12.758 -5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.016 -11.985 -8.149 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.863 -10.671 -8.029 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.130 -14.178 -6.646 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -5.158 -15.232 -7.943 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.565 -10.621 -10.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.562 -14.580 -10.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.814 -10.859 -12.002 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.316 -12.834 -12.005 1.00 0.00 H new ATOM 996 N ASP A 62 -7.172 -10.544 -4.313 1.00 0.00 N ATOM 997 CA ASP A 62 -6.080 -9.788 -3.639 1.00 0.00 C ATOM 998 C ASP A 62 -5.476 -10.657 -2.535 1.00 0.00 C ATOM 999 O ASP A 62 -5.714 -10.444 -1.362 1.00 0.00 O ATOM 1000 CB ASP A 62 -6.648 -8.505 -3.029 1.00 0.00 C ATOM 1001 CG ASP A 62 -5.502 -7.555 -2.674 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -4.853 -7.072 -3.588 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -5.293 -7.327 -1.494 1.00 0.00 O ATOM 0 H ASP A 62 -8.002 -10.705 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.309 -9.530 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.327 -8.025 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.228 -8.740 -2.137 1.00 0.00 H new ATOM 1008 N VAL A 63 -4.698 -11.638 -2.902 1.00 0.00 N ATOM 1009 CA VAL A 63 -4.078 -12.528 -1.879 1.00 0.00 C ATOM 1010 C VAL A 63 -2.940 -11.792 -1.165 1.00 0.00 C ATOM 1011 O VAL A 63 -2.274 -12.345 -0.315 1.00 0.00 O ATOM 1012 CB VAL A 63 -3.524 -13.779 -2.562 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -3.296 -14.873 -1.517 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -4.525 -14.275 -3.607 1.00 0.00 C ATOM 0 H VAL A 63 -4.464 -11.862 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.834 -12.813 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.579 -13.538 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.901 -15.765 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.583 -14.521 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.241 -15.114 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.131 -15.167 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.470 -14.515 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.689 -13.497 -4.352 1.00 0.00 H new ATOM 1024 N GLN A 64 -2.711 -10.551 -1.498 1.00 0.00 N ATOM 1025 CA GLN A 64 -1.618 -9.795 -0.827 1.00 0.00 C ATOM 1026 C GLN A 64 -1.741 -9.966 0.690 1.00 0.00 C ATOM 1027 O GLN A 64 -0.784 -9.807 1.422 1.00 0.00 O ATOM 1028 CB GLN A 64 -1.727 -8.311 -1.185 1.00 0.00 C ATOM 1029 CG GLN A 64 -0.892 -8.022 -2.434 1.00 0.00 C ATOM 1030 CD GLN A 64 -1.421 -8.849 -3.608 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -0.949 -10.049 -3.810 1.00 0.00 O flip ATOM 1032 NE2 GLN A 64 -2.271 -8.398 -4.350 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.232 -10.030 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.653 -10.177 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.769 -8.045 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.379 -7.699 -0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.936 -6.960 -2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.154 -8.264 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.640 -7.460 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.615 -8.957 -5.130 1.00 0.00 H new ATOM 1041 N GLU A 65 -2.913 -10.290 1.168 1.00 0.00 N ATOM 1042 CA GLU A 65 -3.097 -10.472 2.636 1.00 0.00 C ATOM 1043 C GLU A 65 -2.112 -11.527 3.150 1.00 0.00 C ATOM 1044 O GLU A 65 -1.427 -11.323 4.132 1.00 0.00 O ATOM 1045 CB GLU A 65 -4.529 -10.933 2.919 1.00 0.00 C ATOM 1046 CG GLU A 65 -4.860 -12.146 2.045 1.00 0.00 C ATOM 1047 CD GLU A 65 -6.371 -12.215 1.815 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -7.099 -11.652 2.616 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -6.774 -12.829 0.841 1.00 0.00 O ATOM 0 H GLU A 65 -3.751 -10.436 0.605 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.912 -9.525 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.637 -11.191 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.230 -10.123 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.340 -12.072 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.513 -13.060 2.527 1.00 0.00 H new ATOM 1056 N MET A 66 -2.036 -12.653 2.495 1.00 0.00 N ATOM 1057 CA MET A 66 -1.094 -13.716 2.951 1.00 0.00 C ATOM 1058 C MET A 66 0.346 -13.250 2.727 1.00 0.00 C ATOM 1059 O MET A 66 1.280 -13.788 3.286 1.00 0.00 O ATOM 1060 CB MET A 66 -1.347 -14.996 2.152 1.00 0.00 C ATOM 1061 CG MET A 66 -2.045 -16.024 3.042 1.00 0.00 C ATOM 1062 SD MET A 66 -1.668 -17.691 2.447 1.00 0.00 S ATOM 1063 CE MET A 66 -1.584 -18.498 4.064 1.00 0.00 C ATOM 0 H MET A 66 -2.584 -12.883 1.666 1.00 0.00 H new ATOM 0 HA MET A 66 -1.251 -13.913 4.012 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.963 -14.777 1.280 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.404 -15.399 1.783 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.714 -15.911 4.074 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.122 -15.858 3.032 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.357 -19.556 3.931 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.802 -18.032 4.663 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.542 -18.393 4.573 1.00 0.00 H new ATOM 1073 N LEU A 67 0.527 -12.250 1.912 1.00 0.00 N ATOM 1074 CA LEU A 67 1.899 -11.734 1.642 1.00 0.00 C ATOM 1075 C LEU A 67 2.156 -10.496 2.506 1.00 0.00 C ATOM 1076 O LEU A 67 3.107 -9.767 2.305 1.00 0.00 O ATOM 1077 CB LEU A 67 2.014 -11.363 0.166 1.00 0.00 C ATOM 1078 CG LEU A 67 3.477 -11.101 -0.180 1.00 0.00 C ATOM 1079 CD1 LEU A 67 4.122 -12.396 -0.668 1.00 0.00 C ATOM 1080 CD2 LEU A 67 3.550 -10.043 -1.280 1.00 0.00 C ATOM 0 H LEU A 67 -0.221 -11.764 1.417 1.00 0.00 H new ATOM 0 HA LEU A 67 2.635 -12.501 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.621 -12.169 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.415 -10.477 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 67 4.008 -10.745 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.167 -12.211 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.063 -13.150 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.597 -12.753 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.593 -9.851 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.023 -10.401 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.086 -9.121 -0.929 1.00 0.00 H new ATOM 1092 N VAL A 68 1.302 -10.251 3.459 1.00 0.00 N ATOM 1093 CA VAL A 68 1.463 -9.061 4.346 1.00 0.00 C ATOM 1094 C VAL A 68 2.941 -8.835 4.695 1.00 0.00 C ATOM 1095 O VAL A 68 3.340 -7.733 5.014 1.00 0.00 O ATOM 1096 CB VAL A 68 0.660 -9.281 5.630 1.00 0.00 C ATOM 1097 CG1 VAL A 68 1.069 -8.247 6.682 1.00 0.00 C ATOM 1098 CG2 VAL A 68 -0.832 -9.130 5.328 1.00 0.00 C ATOM 0 H VAL A 68 0.488 -10.831 3.665 1.00 0.00 H new ATOM 0 HA VAL A 68 1.096 -8.179 3.821 1.00 0.00 H new ATOM 0 HB VAL A 68 0.860 -10.282 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.494 -8.409 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.132 -8.351 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.873 -7.244 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.406 -9.286 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.026 -8.128 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.129 -9.868 4.582 1.00 0.00 H new ATOM 1108 N ASP A 69 3.759 -9.851 4.643 1.00 0.00 N ATOM 1109 CA ASP A 69 5.197 -9.650 4.980 1.00 0.00 C ATOM 1110 C ASP A 69 5.797 -8.603 4.065 1.00 0.00 C ATOM 1111 O ASP A 69 5.645 -7.414 4.266 1.00 0.00 O ATOM 1112 CB ASP A 69 5.988 -10.912 4.714 1.00 0.00 C ATOM 1113 CG ASP A 69 5.697 -11.977 5.773 1.00 0.00 C ATOM 1114 OD1 ASP A 69 4.878 -11.714 6.638 1.00 0.00 O ATOM 1115 OD2 ASP A 69 6.298 -13.036 5.700 1.00 0.00 O ATOM 0 H ASP A 69 3.497 -10.802 4.384 1.00 0.00 H new ATOM 0 HA ASP A 69 5.245 -9.360 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.739 -11.299 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.054 -10.683 4.707 1.00 0.00 H new ATOM 1120 N VAL A 70 6.515 -9.061 3.064 1.00 0.00 N ATOM 1121 CA VAL A 70 7.179 -8.184 2.135 1.00 0.00 C ATOM 1122 C VAL A 70 6.316 -7.012 1.730 1.00 0.00 C ATOM 1123 O VAL A 70 6.813 -6.095 1.188 1.00 0.00 O ATOM 1124 CB VAL A 70 7.654 -9.020 0.932 1.00 0.00 C ATOM 1125 CG1 VAL A 70 6.767 -8.817 -0.304 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.099 -8.645 0.605 1.00 0.00 C ATOM 0 H VAL A 70 6.653 -10.054 2.874 1.00 0.00 H new ATOM 0 HA VAL A 70 8.046 -7.734 2.619 1.00 0.00 H new ATOM 0 HB VAL A 70 7.586 -10.073 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.142 -9.427 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.744 -9.113 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.784 -7.767 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.444 -9.232 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.153 -7.584 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.732 -8.850 1.468 1.00 0.00 H new ATOM 1136 N ILE A 71 5.055 -7.010 1.989 1.00 0.00 N ATOM 1137 CA ILE A 71 4.242 -5.836 1.573 1.00 0.00 C ATOM 1138 C ILE A 71 3.524 -5.234 2.782 1.00 0.00 C ATOM 1139 O ILE A 71 2.904 -5.925 3.565 1.00 0.00 O ATOM 1140 CB ILE A 71 3.202 -6.280 0.546 1.00 0.00 C ATOM 1141 CG1 ILE A 71 2.624 -7.635 0.956 1.00 0.00 C ATOM 1142 CG2 ILE A 71 3.855 -6.400 -0.832 1.00 0.00 C ATOM 1143 CD1 ILE A 71 1.173 -7.733 0.482 1.00 0.00 C ATOM 0 H ILE A 71 4.547 -7.756 2.465 1.00 0.00 H new ATOM 0 HA ILE A 71 4.902 -5.085 1.138 1.00 0.00 H new ATOM 0 HB ILE A 71 2.402 -5.541 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.215 -8.441 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.673 -7.751 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.110 -6.717 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.263 -5.433 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.658 -7.136 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.759 -8.698 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.587 -6.935 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.137 -7.636 -0.603 1.00 0.00 H new ATOM 1155 N THR A 72 3.611 -3.937 2.927 1.00 0.00 N ATOM 1156 CA THR A 72 2.944 -3.255 4.070 1.00 0.00 C ATOM 1157 C THR A 72 2.143 -2.070 3.532 1.00 0.00 C ATOM 1158 O THR A 72 2.484 -1.488 2.522 1.00 0.00 O ATOM 1159 CB THR A 72 3.996 -2.766 5.069 1.00 0.00 C ATOM 1160 OG1 THR A 72 5.270 -3.268 4.694 1.00 0.00 O ATOM 1161 CG2 THR A 72 3.639 -3.267 6.469 1.00 0.00 C ATOM 0 H THR A 72 4.120 -3.318 2.296 1.00 0.00 H new ATOM 0 HA THR A 72 2.277 -3.950 4.580 1.00 0.00 H new ATOM 0 HB THR A 72 4.021 -1.676 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.528 -3.992 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.387 -2.920 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.660 -2.882 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.615 -4.357 6.470 1.00 0.00 H new ATOM 1169 N ILE A 73 1.070 -1.721 4.183 1.00 0.00 N ATOM 1170 CA ILE A 73 0.239 -0.592 3.689 1.00 0.00 C ATOM 1171 C ILE A 73 -0.117 0.351 4.839 1.00 0.00 C ATOM 1172 O ILE A 73 0.186 0.102 5.989 1.00 0.00 O ATOM 1173 CB ILE A 73 -1.050 -1.138 3.064 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -1.403 -2.493 3.691 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -0.852 -1.312 1.557 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -2.671 -3.044 3.036 1.00 0.00 C ATOM 0 H ILE A 73 0.733 -2.169 5.035 1.00 0.00 H new ATOM 0 HA ILE A 73 0.808 -0.040 2.941 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.862 -0.435 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.578 -3.193 3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.555 -2.380 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.768 -1.700 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.611 -0.349 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.036 -2.011 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.922 -4.007 3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.494 -2.346 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.502 -3.172 1.967 1.00 0.00 H new ATOM 1188 N GLY A 74 -0.752 1.442 4.518 1.00 0.00 N ATOM 1189 CA GLY A 74 -1.137 2.438 5.552 1.00 0.00 C ATOM 1190 C GLY A 74 -1.835 3.603 4.853 1.00 0.00 C ATOM 1191 O GLY A 74 -1.648 4.754 5.190 1.00 0.00 O ATOM 0 H GLY A 74 -1.025 1.689 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.800 1.984 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.256 2.789 6.089 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.633 3.298 3.867 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.360 4.359 3.116 1.00 0.00 C ATOM 1197 C GLY A 75 -4.649 3.756 2.561 1.00 0.00 C ATOM 1198 O GLY A 75 -4.715 3.340 1.421 1.00 0.00 O ATOM 0 H GLY A 75 -2.814 2.347 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.586 5.201 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.741 4.743 2.305 1.00 0.00 H new ATOM 1202 N ASN A 76 -5.669 3.698 3.367 1.00 0.00 N ATOM 1203 CA ASN A 76 -6.956 3.118 2.919 1.00 0.00 C ATOM 1204 C ASN A 76 -7.962 3.288 4.049 1.00 0.00 C ATOM 1205 O ASN A 76 -7.643 3.092 5.205 1.00 0.00 O ATOM 1206 CB ASN A 76 -6.772 1.630 2.612 1.00 0.00 C ATOM 1207 CG ASN A 76 -6.454 0.876 3.904 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -5.798 1.401 4.782 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -6.895 -0.342 4.060 1.00 0.00 N ATOM 0 H ASN A 76 -5.662 4.033 4.330 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.307 3.619 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.677 1.227 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.966 1.494 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.689 -0.853 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.446 -0.783 3.323 1.00 0.00 H new ATOM 1216 N VAL A 77 -9.168 3.646 3.739 1.00 0.00 N ATOM 1217 CA VAL A 77 -10.173 3.818 4.816 1.00 0.00 C ATOM 1218 C VAL A 77 -11.546 4.026 4.192 1.00 0.00 C ATOM 1219 O VAL A 77 -12.234 4.977 4.499 1.00 0.00 O ATOM 1220 CB VAL A 77 -9.808 5.032 5.674 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -9.901 6.304 4.829 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -10.779 5.133 6.853 1.00 0.00 C ATOM 0 H VAL A 77 -9.502 3.827 2.792 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.189 2.928 5.445 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.790 4.918 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.641 7.167 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.210 6.234 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.918 6.418 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.520 5.997 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.796 5.246 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.713 4.228 7.457 1.00 0.00 H new ATOM 1232 N ASP A 78 -11.939 3.137 3.315 1.00 0.00 N ATOM 1233 CA ASP A 78 -13.252 3.259 2.609 1.00 0.00 C ATOM 1234 C ASP A 78 -14.412 3.510 3.560 1.00 0.00 C ATOM 1235 O ASP A 78 -15.507 3.807 3.139 1.00 0.00 O ATOM 1236 CB ASP A 78 -13.523 1.971 1.837 1.00 0.00 C ATOM 1237 CG ASP A 78 -13.488 2.256 0.335 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -13.853 3.356 -0.047 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -13.101 1.368 -0.407 1.00 0.00 O ATOM 0 H ASP A 78 -11.394 2.315 3.053 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.181 4.118 1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.777 1.218 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.495 1.564 2.118 1.00 0.00 H new ATOM 1244 N GLU A 79 -14.204 3.406 4.819 1.00 0.00 N ATOM 1245 CA GLU A 79 -15.330 3.662 5.752 1.00 0.00 C ATOM 1246 C GLU A 79 -15.079 4.960 6.520 1.00 0.00 C ATOM 1247 O GLU A 79 -14.413 4.975 7.536 1.00 0.00 O ATOM 1248 CB GLU A 79 -15.468 2.495 6.732 1.00 0.00 C ATOM 1249 CG GLU A 79 -16.785 1.761 6.471 1.00 0.00 C ATOM 1250 CD GLU A 79 -16.525 0.552 5.571 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -15.501 0.541 4.908 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -17.355 -0.343 5.559 1.00 0.00 O ATOM 0 H GLU A 79 -13.315 3.158 5.253 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.254 3.758 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.629 1.809 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.442 2.863 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.227 1.438 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.501 2.433 5.998 1.00 0.00 H new ATOM 1259 N ASP A 80 -15.615 6.053 6.042 1.00 0.00 N ATOM 1260 CA ASP A 80 -15.417 7.352 6.744 1.00 0.00 C ATOM 1261 C ASP A 80 -16.725 7.750 7.431 1.00 0.00 C ATOM 1262 O ASP A 80 -16.914 7.523 8.610 1.00 0.00 O ATOM 1263 CB ASP A 80 -15.023 8.428 5.729 1.00 0.00 C ATOM 1264 CG ASP A 80 -13.587 8.882 5.995 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.776 8.042 6.348 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -13.322 10.064 5.841 1.00 0.00 O ATOM 0 H ASP A 80 -16.181 6.100 5.195 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.625 7.253 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.109 8.036 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.703 9.277 5.801 1.00 0.00 H new ATOM 1271 N ASP A 81 -17.633 8.335 6.698 1.00 0.00 N ATOM 1272 CA ASP A 81 -18.934 8.738 7.302 1.00 0.00 C ATOM 1273 C ASP A 81 -20.014 7.747 6.865 1.00 0.00 C ATOM 1274 O ASP A 81 -20.343 6.818 7.576 1.00 0.00 O ATOM 1275 CB ASP A 81 -19.304 10.143 6.825 1.00 0.00 C ATOM 1276 CG ASP A 81 -20.756 10.448 7.199 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -21.016 10.639 8.375 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -21.583 10.486 6.302 1.00 0.00 O ATOM 0 H ASP A 81 -17.530 8.551 5.707 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.853 8.738 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -18.639 10.878 7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -19.173 10.217 5.745 1.00 0.00 H new ATOM 1283 N ASP A 82 -20.564 7.934 5.696 1.00 0.00 N ATOM 1284 CA ASP A 82 -21.617 6.999 5.205 1.00 0.00 C ATOM 1285 C ASP A 82 -21.245 6.506 3.805 1.00 0.00 C ATOM 1286 O ASP A 82 -21.561 5.397 3.422 1.00 0.00 O ATOM 1287 CB ASP A 82 -22.962 7.726 5.151 1.00 0.00 C ATOM 1288 CG ASP A 82 -23.417 8.058 6.573 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -22.697 7.720 7.498 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -24.477 8.644 6.713 1.00 0.00 O ATOM 0 H ASP A 82 -20.329 8.695 5.059 1.00 0.00 H new ATOM 0 HA ASP A 82 -21.693 6.148 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.871 8.640 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -23.706 7.102 4.656 1.00 0.00 H new ATOM 1295 N ARG A 83 -20.564 7.319 3.043 1.00 0.00 N ATOM 1296 CA ARG A 83 -20.156 6.900 1.675 1.00 0.00 C ATOM 1297 C ARG A 83 -18.916 6.016 1.795 1.00 0.00 C ATOM 1298 O ARG A 83 -18.656 5.450 2.839 1.00 0.00 O ATOM 1299 CB ARG A 83 -19.834 8.146 0.846 1.00 0.00 C ATOM 1300 CG ARG A 83 -20.908 8.338 -0.224 1.00 0.00 C ATOM 1301 CD ARG A 83 -22.262 8.565 0.451 1.00 0.00 C ATOM 1302 NE ARG A 83 -23.321 8.687 -0.590 1.00 0.00 N ATOM 1303 CZ ARG A 83 -24.581 8.587 -0.258 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -24.918 8.373 0.986 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -25.505 8.699 -1.172 1.00 0.00 N ATOM 0 H ARG A 83 -20.273 8.259 3.312 1.00 0.00 H new ATOM 0 HA ARG A 83 -20.957 6.346 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -19.788 9.023 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.855 8.042 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -20.658 9.189 -0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -20.954 7.462 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -22.490 7.736 1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -22.230 9.468 1.060 1.00 0.00 H new ATOM 0 HE ARG A 83 -23.062 8.849 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -24.197 8.283 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -25.902 8.296 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -25.244 8.864 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -26.489 8.621 -0.915 1.00 0.00 H new ATOM 1319 N PHE A 84 -18.136 5.892 0.757 1.00 0.00 N ATOM 1320 CA PHE A 84 -16.920 5.048 0.867 1.00 0.00 C ATOM 1321 C PHE A 84 -15.713 5.872 0.445 1.00 0.00 C ATOM 1322 O PHE A 84 -15.578 6.245 -0.700 1.00 0.00 O ATOM 1323 CB PHE A 84 -17.051 3.822 -0.037 1.00 0.00 C ATOM 1324 CG PHE A 84 -17.137 2.581 0.817 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -18.039 2.530 1.885 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -16.313 1.483 0.544 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -18.119 1.380 2.680 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -16.393 0.333 1.338 1.00 0.00 C ATOM 1329 CZ PHE A 84 -17.296 0.282 2.407 1.00 0.00 C ATOM 0 H PHE A 84 -18.287 6.333 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 84 -16.798 4.711 1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -17.940 3.910 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.194 3.757 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -18.674 3.378 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -15.615 1.523 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.816 1.341 3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.758 -0.515 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 84 -17.357 -0.605 3.021 1.00 0.00 H new ATOM 1339 N VAL A 85 -14.832 6.170 1.357 1.00 0.00 N ATOM 1340 CA VAL A 85 -13.644 6.986 0.973 1.00 0.00 C ATOM 1341 C VAL A 85 -12.378 6.309 1.460 1.00 0.00 C ATOM 1342 O VAL A 85 -12.319 5.830 2.556 1.00 0.00 O ATOM 1343 CB VAL A 85 -13.732 8.373 1.619 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -13.324 8.280 3.095 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -12.773 9.324 0.900 1.00 0.00 C ATOM 0 H VAL A 85 -14.879 5.890 2.337 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.624 7.082 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.754 8.743 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.387 9.267 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.994 7.595 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.301 7.911 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.831 10.313 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.754 8.945 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.049 9.392 -0.152 1.00 0.00 H new ATOM 1355 N LEU A 86 -11.355 6.296 0.678 1.00 0.00 N ATOM 1356 CA LEU A 86 -10.101 5.673 1.135 1.00 0.00 C ATOM 1357 C LEU A 86 -8.941 6.493 0.605 1.00 0.00 C ATOM 1358 O LEU A 86 -9.118 7.528 -0.007 1.00 0.00 O ATOM 1359 CB LEU A 86 -10.013 4.247 0.603 1.00 0.00 C ATOM 1360 CG LEU A 86 -10.419 4.207 -0.867 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -9.162 4.233 -1.731 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -11.192 2.919 -1.142 1.00 0.00 C ATOM 0 H LEU A 86 -11.331 6.691 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.070 5.642 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.996 3.871 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.662 3.593 1.185 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.047 5.067 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.443 4.205 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.601 5.146 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.542 3.367 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.484 2.887 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.561 2.060 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.084 2.889 -0.516 1.00 0.00 H new ATOM 1374 N GLU A 87 -7.761 6.045 0.850 1.00 0.00 N ATOM 1375 CA GLU A 87 -6.570 6.799 0.363 1.00 0.00 C ATOM 1376 C GLU A 87 -6.005 6.154 -0.895 1.00 0.00 C ATOM 1377 O GLU A 87 -6.419 5.094 -1.314 1.00 0.00 O ATOM 1378 CB GLU A 87 -5.489 6.825 1.420 1.00 0.00 C ATOM 1379 CG GLU A 87 -4.852 8.213 1.437 1.00 0.00 C ATOM 1380 CD GLU A 87 -4.141 8.435 2.773 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -3.857 7.454 3.440 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -3.893 9.582 3.105 1.00 0.00 O ATOM 0 H GLU A 87 -7.556 5.189 1.366 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.891 7.817 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.911 6.591 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.736 6.066 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.142 8.308 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.616 8.977 1.289 1.00 0.00 H new