USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 849 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 13 THR OG1 : rot 83:sc= -0.0527 USER MOD Set 1.2: A 103 HIS : no HE2:sc= -2.61 K(o=-2.7,f=-4.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 41:sc= 0.159 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.635 K(o=-0.63,f=-2.2!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.905 F(o=-3.6!,f=-0.91) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.184 F(o=-0.94,f=-0.18) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.319 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 146:sc= 0.436 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= 1.33 (180deg=0.199) USER MOD Single : A 56 TYR OH : rot -96:sc= 0.0684 USER MOD Single : A 57 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.24) USER MOD Single : A 66 ASN : amide:sc= -2.83! X(o=-2.8!,f=-2.4) USER MOD Single : A 68 THR OG1 : rot 163:sc= -3.31 USER MOD Single : A 70 THR OG1 : rot -54:sc= 0.659 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -39:sc= 0.209 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.072) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -0.512 K(o=-0.51,f=-2.3) USER MOD Single : A 119 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.333 21.293 2.889 1.00 0.00 N ATOM 47 CA THR A 4 10.073 20.217 3.843 1.00 0.00 C ATOM 48 C THR A 4 9.325 19.070 3.171 1.00 0.00 C ATOM 49 O THR A 4 8.450 19.294 2.334 1.00 0.00 O ATOM 50 CB THR A 4 9.274 20.742 5.041 1.00 0.00 C ATOM 51 OG1 THR A 4 8.947 19.687 5.935 1.00 0.00 O ATOM 52 CG2 THR A 4 7.986 21.436 4.648 1.00 0.00 C ATOM 0 HA THR A 4 11.031 19.841 4.201 1.00 0.00 H new ATOM 0 HB THR A 4 9.925 21.472 5.521 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.439 20.046 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.471 21.782 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.213 22.288 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.346 20.737 4.109 1.00 0.00 H new ATOM 60 N VAL A 5 9.675 17.841 3.542 1.00 0.00 N ATOM 61 CA VAL A 5 9.039 16.661 2.973 1.00 0.00 C ATOM 62 C VAL A 5 8.652 15.666 4.064 1.00 0.00 C ATOM 63 O VAL A 5 9.510 15.161 4.791 1.00 0.00 O ATOM 64 CB VAL A 5 9.964 15.961 1.954 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.212 14.869 1.209 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.555 16.971 0.978 1.00 0.00 C ATOM 0 H VAL A 5 10.396 17.639 4.235 1.00 0.00 H new ATOM 0 HA VAL A 5 8.139 17.000 2.460 1.00 0.00 H new ATOM 0 HB VAL A 5 10.785 15.498 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.881 14.388 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.847 14.128 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.368 15.307 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.203 16.456 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.750 17.469 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.135 17.712 1.528 1.00 0.00 H new ATOM 76 N LYS A 6 7.352 15.382 4.167 1.00 0.00 N ATOM 77 CA LYS A 6 6.844 14.441 5.160 1.00 0.00 C ATOM 78 C LYS A 6 5.794 13.528 4.531 1.00 0.00 C ATOM 79 O LYS A 6 4.661 13.948 4.281 1.00 0.00 O ATOM 80 CB LYS A 6 6.251 15.193 6.359 1.00 0.00 C ATOM 81 CG LYS A 6 7.215 16.183 7.000 1.00 0.00 C ATOM 82 CD LYS A 6 7.002 16.281 8.504 1.00 0.00 C ATOM 83 CE LYS A 6 7.956 17.283 9.136 1.00 0.00 C ATOM 84 NZ LYS A 6 8.480 16.808 10.449 1.00 0.00 N ATOM 0 H LYS A 6 6.633 15.793 3.572 1.00 0.00 H new ATOM 0 HA LYS A 6 7.673 13.828 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.358 15.727 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.935 14.469 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.241 15.876 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.081 17.166 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.973 16.577 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.148 15.301 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.790 17.466 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.442 18.235 9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.126 17.521 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.687 16.658 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.993 15.913 10.315 1.00 0.00 H new ATOM 98 N ARG A 7 6.184 12.279 4.269 1.00 0.00 N ATOM 99 CA ARG A 7 5.287 11.300 3.655 1.00 0.00 C ATOM 100 C ARG A 7 5.326 9.968 4.405 1.00 0.00 C ATOM 101 O ARG A 7 6.140 9.774 5.311 1.00 0.00 O ATOM 102 CB ARG A 7 5.665 11.080 2.186 1.00 0.00 C ATOM 103 CG ARG A 7 5.715 12.358 1.362 1.00 0.00 C ATOM 104 CD ARG A 7 6.824 12.311 0.322 1.00 0.00 C ATOM 105 NE ARG A 7 6.338 12.632 -1.019 1.00 0.00 N ATOM 106 CZ ARG A 7 7.109 13.104 -2.001 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.413 13.293 -1.806 1.00 0.00 N ATOM 108 NH2 ARG A 7 6.577 13.384 -3.185 1.00 0.00 N ATOM 0 H ARG A 7 7.117 11.922 4.473 1.00 0.00 H new ATOM 0 HA ARG A 7 4.273 11.696 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.639 10.593 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.946 10.397 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.756 12.509 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.870 13.211 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.610 13.013 0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.272 11.317 0.316 1.00 0.00 H new ATOM 0 HE ARG A 7 5.348 12.486 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.830 13.077 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.995 13.654 -2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.580 13.238 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.165 13.745 -3.936 1.00 0.00 H new ATOM 122 N THR A 8 4.438 9.054 4.016 1.00 0.00 N ATOM 123 CA THR A 8 4.357 7.733 4.640 1.00 0.00 C ATOM 124 C THR A 8 3.369 6.842 3.886 1.00 0.00 C ATOM 125 O THR A 8 2.320 7.307 3.440 1.00 0.00 O ATOM 126 CB THR A 8 3.941 7.860 6.113 1.00 0.00 C ATOM 127 OG1 THR A 8 3.628 6.590 6.665 1.00 0.00 O ATOM 128 CG2 THR A 8 2.740 8.759 6.324 1.00 0.00 C ATOM 0 H THR A 8 3.761 9.205 3.268 1.00 0.00 H new ATOM 0 HA THR A 8 5.344 7.272 4.595 1.00 0.00 H new ATOM 0 HB THR A 8 4.802 8.305 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.279 5.928 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.501 8.803 7.387 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.968 9.761 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.886 8.360 5.776 1.00 0.00 H new ATOM 136 N ILE A 9 3.711 5.559 3.753 1.00 0.00 N ATOM 137 CA ILE A 9 2.851 4.606 3.061 1.00 0.00 C ATOM 138 C ILE A 9 2.226 3.627 4.052 1.00 0.00 C ATOM 139 O ILE A 9 2.929 2.880 4.736 1.00 0.00 O ATOM 140 CB ILE A 9 3.616 3.827 1.962 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.651 2.941 1.165 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.740 2.991 2.565 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.356 3.463 -0.225 1.00 0.00 C ATOM 0 H ILE A 9 4.577 5.160 4.116 1.00 0.00 H new ATOM 0 HA ILE A 9 2.062 5.180 2.576 1.00 0.00 H new ATOM 0 HB ILE A 9 4.065 4.551 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.073 1.939 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.715 2.850 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.260 2.455 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.442 3.645 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.322 2.275 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.667 2.786 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.905 4.453 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.283 3.527 -0.794 1.00 0.00 H new ATOM 155 N ARG A 10 0.898 3.648 4.129 1.00 0.00 N ATOM 156 CA ARG A 10 0.164 2.777 5.037 1.00 0.00 C ATOM 157 C ARG A 10 -0.873 1.951 4.277 1.00 0.00 C ATOM 158 O ARG A 10 -1.790 2.505 3.665 1.00 0.00 O ATOM 159 CB ARG A 10 -0.520 3.610 6.125 1.00 0.00 C ATOM 160 CG ARG A 10 0.452 4.399 6.990 1.00 0.00 C ATOM 161 CD ARG A 10 -0.162 5.709 7.462 1.00 0.00 C ATOM 162 NE ARG A 10 0.800 6.539 8.186 1.00 0.00 N ATOM 163 CZ ARG A 10 1.145 6.348 9.461 1.00 0.00 C ATOM 164 NH1 ARG A 10 0.623 5.344 10.161 1.00 0.00 N ATOM 165 NH2 ARG A 10 2.020 7.165 10.040 1.00 0.00 N ATOM 0 H ARG A 10 0.307 4.263 3.569 1.00 0.00 H new ATOM 0 HA ARG A 10 0.872 2.092 5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.219 4.302 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.106 2.948 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.742 3.800 7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.361 4.604 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.542 6.261 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.015 5.497 8.107 1.00 0.00 H new ATOM 0 HE ARG A 10 1.235 7.313 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.047 4.712 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.893 5.207 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.426 7.936 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.285 7.021 11.014 1.00 0.00 H new ATOM 179 N ILE A 11 -0.720 0.628 4.316 1.00 0.00 N ATOM 180 CA ILE A 11 -1.641 -0.277 3.627 1.00 0.00 C ATOM 181 C ILE A 11 -2.252 -1.286 4.599 1.00 0.00 C ATOM 182 O ILE A 11 -1.535 -1.938 5.359 1.00 0.00 O ATOM 183 CB ILE A 11 -0.940 -1.033 2.474 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.328 -1.736 2.977 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.603 -0.073 1.339 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.485 -3.150 2.464 1.00 0.00 C ATOM 0 H ILE A 11 0.034 0.158 4.818 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.435 0.340 3.207 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.624 -1.793 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.199 -1.152 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.314 -1.754 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.110 -0.619 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.520 0.380 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.062 0.708 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.403 -3.582 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.367 -3.750 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.531 -3.139 1.375 1.00 0.00 H new ATOM 198 N LYS A 12 -3.581 -1.411 4.568 1.00 0.00 N ATOM 199 CA LYS A 12 -4.284 -2.341 5.449 1.00 0.00 C ATOM 200 C LYS A 12 -4.819 -3.530 4.666 1.00 0.00 C ATOM 201 O LYS A 12 -5.430 -3.365 3.608 1.00 0.00 O ATOM 202 CB LYS A 12 -5.434 -1.635 6.168 1.00 0.00 C ATOM 203 CG LYS A 12 -4.998 -0.853 7.395 1.00 0.00 C ATOM 204 CD LYS A 12 -6.150 -0.060 7.984 1.00 0.00 C ATOM 205 CE LYS A 12 -6.178 1.363 7.447 1.00 0.00 C ATOM 206 NZ LYS A 12 -7.207 2.200 8.125 1.00 0.00 N ATOM 0 H LYS A 12 -4.189 -0.881 3.944 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.571 -2.703 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.925 -0.956 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.175 -2.377 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.606 -1.539 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.187 -0.176 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.092 -0.557 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.061 -0.039 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.197 1.819 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.378 1.341 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.190 3.161 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.147 1.781 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.003 2.243 9.144 1.00 0.00 H new ATOM 220 N THR A 13 -4.590 -4.729 5.193 1.00 0.00 N ATOM 221 CA THR A 13 -5.051 -5.949 4.537 1.00 0.00 C ATOM 222 C THR A 13 -5.778 -6.867 5.519 1.00 0.00 C ATOM 223 O THR A 13 -5.149 -7.536 6.344 1.00 0.00 O ATOM 224 CB THR A 13 -3.875 -6.696 3.898 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.964 -5.788 3.297 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.303 -7.688 2.835 1.00 0.00 C ATOM 0 H THR A 13 -4.090 -4.882 6.069 1.00 0.00 H new ATOM 0 HA THR A 13 -5.753 -5.657 3.756 1.00 0.00 H new ATOM 0 HB THR A 13 -3.404 -7.242 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.357 -5.433 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.423 -8.182 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.964 -8.433 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.830 -7.163 2.039 1.00 0.00 H new ATOM 234 N GLN A 14 -7.106 -6.896 5.423 1.00 0.00 N ATOM 235 CA GLN A 14 -7.928 -7.730 6.298 1.00 0.00 C ATOM 236 C GLN A 14 -8.650 -8.812 5.492 1.00 0.00 C ATOM 237 O GLN A 14 -9.160 -8.542 4.405 1.00 0.00 O ATOM 238 CB GLN A 14 -8.949 -6.868 7.047 1.00 0.00 C ATOM 239 CG GLN A 14 -9.688 -7.611 8.151 1.00 0.00 C ATOM 240 CD GLN A 14 -10.943 -8.305 7.655 1.00 0.00 C ATOM 241 OE1 GLN A 14 -11.550 -7.891 6.667 1.00 0.00 O ATOM 242 NE2 GLN A 14 -11.341 -9.370 8.342 1.00 0.00 N ATOM 0 H GLN A 14 -7.637 -6.349 4.745 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.273 -8.215 7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.437 -6.009 7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.676 -6.480 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.021 -8.350 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.955 -6.908 8.940 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.809 -9.680 9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.178 -9.877 8.056 1.00 0.00 H new ATOM 251 N GLN A 15 -8.691 -10.035 6.028 1.00 0.00 N ATOM 252 CA GLN A 15 -9.356 -11.146 5.341 1.00 0.00 C ATOM 253 C GLN A 15 -10.147 -12.020 6.314 1.00 0.00 C ATOM 254 O GLN A 15 -9.800 -12.125 7.491 1.00 0.00 O ATOM 255 CB GLN A 15 -8.324 -12.008 4.612 1.00 0.00 C ATOM 256 CG GLN A 15 -8.936 -12.995 3.626 1.00 0.00 C ATOM 257 CD GLN A 15 -8.031 -14.171 3.316 1.00 0.00 C ATOM 258 OE1 GLN A 15 -6.723 -13.953 3.362 1.00 0.00 O flip ATOM 259 NE2 GLN A 15 -8.504 -15.271 3.031 1.00 0.00 N flip ATOM 0 H GLN A 15 -8.276 -10.280 6.927 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.054 -10.715 4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.632 -11.357 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.739 -12.559 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.877 -13.367 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.172 -12.473 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.515 -15.400 3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.884 -16.053 2.820 1.00 0.00 H new ATOM 268 N HIS A 16 -11.206 -12.658 5.808 1.00 0.00 N ATOM 269 CA HIS A 16 -12.031 -13.539 6.634 1.00 0.00 C ATOM 270 C HIS A 16 -12.642 -14.655 5.790 1.00 0.00 C ATOM 271 O HIS A 16 -13.407 -14.390 4.863 1.00 0.00 O ATOM 272 CB HIS A 16 -13.138 -12.729 7.317 1.00 0.00 C ATOM 273 CG HIS A 16 -13.915 -13.497 8.344 1.00 0.00 C ATOM 274 ND1 HIS A 16 -14.487 -14.726 8.291 1.00 0.00 N flip ATOM 275 CD2 HIS A 16 -14.193 -13.004 9.602 1.00 0.00 C flip ATOM 276 CE1 HIS A 16 -15.092 -14.946 9.505 1.00 0.00 C flip ATOM 277 NE2 HIS A 16 -14.899 -13.893 10.277 1.00 0.00 N flip ATOM 0 H HIS A 16 -11.509 -12.581 4.837 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.397 -13.993 7.396 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.693 -11.855 7.793 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.827 -12.362 6.556 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.882 -12.040 9.977 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.637 -15.836 9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.238 -13.784 11.233 1.00 0.00 H new ATOM 286 N ILE A 17 -12.315 -15.906 6.121 1.00 0.00 N ATOM 287 CA ILE A 17 -12.854 -17.048 5.389 1.00 0.00 C ATOM 288 C ILE A 17 -14.060 -17.636 6.120 1.00 0.00 C ATOM 289 O ILE A 17 -13.908 -18.361 7.103 1.00 0.00 O ATOM 290 CB ILE A 17 -11.795 -18.154 5.175 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.514 -17.570 4.568 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.351 -19.256 4.282 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.331 -18.510 4.628 1.00 0.00 C ATOM 0 H ILE A 17 -11.685 -16.150 6.885 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.162 -16.679 4.411 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.548 -18.583 6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.703 -17.304 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.261 -16.648 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.593 -20.027 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.232 -19.694 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.626 -18.836 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.461 -18.029 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.115 -18.757 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.563 -19.423 4.079 1.00 0.00 H new ATOM 476 N VAL A 29 -15.621 -19.954 -0.102 1.00 0.00 N ATOM 477 CA VAL A 29 -15.427 -18.528 -0.374 1.00 0.00 C ATOM 478 C VAL A 29 -14.723 -17.815 0.784 1.00 0.00 C ATOM 479 O VAL A 29 -14.753 -18.281 1.925 1.00 0.00 O ATOM 480 CB VAL A 29 -16.768 -17.813 -0.662 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.295 -18.186 -2.040 1.00 0.00 C ATOM 482 CG2 VAL A 29 -17.797 -18.127 0.417 1.00 0.00 C ATOM 0 HA VAL A 29 -14.794 -18.474 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.586 -16.738 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.239 -17.671 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.570 -17.891 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.454 -19.263 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -18.731 -17.612 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.974 -19.202 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.423 -17.792 1.385 1.00 0.00 H new ATOM 492 N ARG A 30 -14.094 -16.677 0.474 1.00 0.00 N ATOM 493 CA ARG A 30 -13.378 -15.883 1.476 1.00 0.00 C ATOM 494 C ARG A 30 -13.680 -14.390 1.319 1.00 0.00 C ATOM 495 O ARG A 30 -14.167 -13.950 0.276 1.00 0.00 O ATOM 496 CB ARG A 30 -11.862 -16.109 1.367 1.00 0.00 C ATOM 497 CG ARG A 30 -11.469 -17.491 0.857 1.00 0.00 C ATOM 498 CD ARG A 30 -9.997 -17.555 0.476 1.00 0.00 C ATOM 499 NE ARG A 30 -9.785 -18.283 -0.776 1.00 0.00 N ATOM 500 CZ ARG A 30 -9.747 -19.615 -0.871 1.00 0.00 C ATOM 501 NH1 ARG A 30 -9.905 -20.376 0.212 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.553 -20.190 -2.052 1.00 0.00 N ATOM 0 H ARG A 30 -14.067 -16.284 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.722 -16.210 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.441 -15.356 0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.412 -15.955 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.678 -18.235 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.080 -17.746 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.604 -16.543 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.436 -18.039 1.276 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.658 -17.739 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.056 -19.942 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.875 -21.392 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.433 -19.615 -2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.524 -21.207 -2.125 1.00 0.00 H new ATOM 516 N GLN A 31 -13.371 -13.615 2.360 1.00 0.00 N ATOM 517 CA GLN A 31 -13.589 -12.169 2.349 1.00 0.00 C ATOM 518 C GLN A 31 -12.262 -11.439 2.510 1.00 0.00 C ATOM 519 O GLN A 31 -11.349 -11.948 3.153 1.00 0.00 O ATOM 520 CB GLN A 31 -14.548 -11.761 3.470 1.00 0.00 C ATOM 521 CG GLN A 31 -15.966 -11.495 2.993 1.00 0.00 C ATOM 522 CD GLN A 31 -16.995 -11.656 4.098 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.766 -12.615 4.109 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.014 -10.714 5.035 1.00 0.00 N ATOM 0 H GLN A 31 -12.966 -13.969 3.227 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.034 -11.894 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.569 -12.549 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.164 -10.865 3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.026 -10.484 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.205 -12.177 2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.357 -9.935 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.686 -10.770 5.801 1.00 0.00 H new ATOM 533 N TRP A 32 -12.152 -10.254 1.919 1.00 0.00 N ATOM 534 CA TRP A 32 -10.914 -9.476 2.000 1.00 0.00 C ATOM 535 C TRP A 32 -11.158 -7.981 1.791 1.00 0.00 C ATOM 536 O TRP A 32 -12.132 -7.578 1.152 1.00 0.00 O ATOM 537 CB TRP A 32 -9.905 -9.985 0.966 1.00 0.00 C ATOM 538 CG TRP A 32 -10.424 -9.962 -0.442 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.377 -10.780 -0.978 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.019 -9.075 -1.492 1.00 0.00 C ATOM 541 NE1 TRP A 32 -11.588 -10.458 -2.296 1.00 0.00 N ATOM 542 CE2 TRP A 32 -10.766 -9.415 -2.636 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.098 -8.027 -1.575 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -10.619 -8.743 -3.848 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -8.953 -7.362 -2.780 1.00 0.00 C ATOM 546 CH2 TRP A 32 -9.711 -7.723 -3.900 1.00 0.00 C ATOM 0 H TRP A 32 -12.897 -9.811 1.382 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.513 -9.608 3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.002 -9.377 1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.618 -11.005 1.222 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.890 -11.566 -0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.249 -10.920 -2.921 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.511 -7.741 -0.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.202 -9.018 -4.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.244 -6.551 -2.857 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.575 -7.184 -4.826 1.00 0.00 H new ATOM 557 N SER A 33 -10.251 -7.167 2.334 1.00 0.00 N ATOM 558 CA SER A 33 -10.334 -5.714 2.218 1.00 0.00 C ATOM 559 C SER A 33 -8.935 -5.095 2.215 1.00 0.00 C ATOM 560 O SER A 33 -8.188 -5.222 3.189 1.00 0.00 O ATOM 561 CB SER A 33 -11.166 -5.137 3.369 1.00 0.00 C ATOM 562 OG SER A 33 -11.118 -3.720 3.380 1.00 0.00 O ATOM 0 H SER A 33 -9.443 -7.496 2.863 1.00 0.00 H new ATOM 0 HA SER A 33 -10.822 -5.470 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.200 -5.467 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.794 -5.523 4.318 1.00 0.00 H new ATOM 0 HG SER A 33 -11.659 -3.380 4.123 1.00 0.00 H new ATOM 568 N ILE A 34 -8.583 -4.430 1.112 1.00 0.00 N ATOM 569 CA ILE A 34 -7.270 -3.795 0.976 1.00 0.00 C ATOM 570 C ILE A 34 -7.400 -2.297 0.699 1.00 0.00 C ATOM 571 O ILE A 34 -8.299 -1.869 -0.025 1.00 0.00 O ATOM 572 CB ILE A 34 -6.445 -4.451 -0.159 1.00 0.00 C ATOM 573 CG1 ILE A 34 -5.030 -3.863 -0.214 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.145 -4.277 -1.501 1.00 0.00 C ATOM 575 CD1 ILE A 34 -4.194 -4.164 1.013 1.00 0.00 C ATOM 0 H ILE A 34 -9.189 -4.317 0.300 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.752 -3.937 1.924 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.365 -5.517 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.519 -4.252 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.100 -2.782 -0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.550 -4.745 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.128 -4.747 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.259 -3.215 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.207 -3.715 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.682 -3.750 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.091 -5.243 1.127 1.00 0.00 H new ATOM 587 N GLU A 35 -6.490 -1.507 1.270 1.00 0.00 N ATOM 588 CA GLU A 35 -6.495 -0.057 1.076 1.00 0.00 C ATOM 589 C GLU A 35 -5.068 0.490 1.027 1.00 0.00 C ATOM 590 O GLU A 35 -4.310 0.364 1.991 1.00 0.00 O ATOM 591 CB GLU A 35 -7.291 0.639 2.181 1.00 0.00 C ATOM 592 CG GLU A 35 -6.812 0.318 3.588 1.00 0.00 C ATOM 593 CD GLU A 35 -7.931 0.371 4.607 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.296 1.488 5.030 1.00 0.00 O ATOM 595 OE2 GLU A 35 -8.445 -0.702 4.983 1.00 0.00 O ATOM 0 H GLU A 35 -5.740 -1.847 1.871 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.978 0.150 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.238 1.717 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.340 0.355 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.363 -0.675 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.032 1.024 3.873 1.00 0.00 H new ATOM 602 N ILE A 36 -4.715 1.091 -0.108 1.00 0.00 N ATOM 603 CA ILE A 36 -3.384 1.659 -0.304 1.00 0.00 C ATOM 604 C ILE A 36 -3.412 3.176 -0.119 1.00 0.00 C ATOM 605 O ILE A 36 -3.985 3.895 -0.939 1.00 0.00 O ATOM 606 CB ILE A 36 -2.842 1.323 -1.713 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.882 -0.189 -1.961 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.425 1.848 -1.886 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.138 -0.661 -2.663 1.00 0.00 C ATOM 0 H ILE A 36 -5.337 1.197 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.724 1.219 0.443 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.483 1.812 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.015 -0.473 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.795 -0.707 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.064 1.600 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.420 2.930 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.774 1.390 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.093 -1.741 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.009 -0.410 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.218 -0.172 -3.634 1.00 0.00 H new ATOM 621 N VAL A 37 -2.800 3.660 0.966 1.00 0.00 N ATOM 622 CA VAL A 37 -2.772 5.095 1.259 1.00 0.00 C ATOM 623 C VAL A 37 -1.339 5.609 1.421 1.00 0.00 C ATOM 624 O VAL A 37 -0.458 4.883 1.890 1.00 0.00 O ATOM 625 CB VAL A 37 -3.568 5.418 2.542 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.683 6.922 2.752 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.949 4.775 2.504 1.00 0.00 C ATOM 0 H VAL A 37 -2.319 3.081 1.654 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.235 5.596 0.409 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.020 4.999 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.248 7.120 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.686 7.354 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.197 7.370 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.489 5.018 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.503 5.153 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.845 3.693 2.421 1.00 0.00 H new ATOM 637 N LEU A 38 -1.120 6.868 1.033 1.00 0.00 N ATOM 638 CA LEU A 38 0.199 7.496 1.135 1.00 0.00 C ATOM 639 C LEU A 38 0.085 9.023 1.181 1.00 0.00 C ATOM 640 O LEU A 38 -0.995 9.580 0.967 1.00 0.00 O ATOM 641 CB LEU A 38 1.081 7.071 -0.044 1.00 0.00 C ATOM 642 CG LEU A 38 0.627 7.579 -1.416 1.00 0.00 C ATOM 643 CD1 LEU A 38 1.410 8.822 -1.814 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.782 6.490 -2.467 1.00 0.00 C ATOM 0 H LEU A 38 -1.842 7.474 0.644 1.00 0.00 H new ATOM 0 HA LEU A 38 0.658 7.162 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.097 7.423 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.121 5.982 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.428 7.846 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.073 9.167 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.246 9.607 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.473 8.583 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.455 6.869 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.828 6.191 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.174 5.628 -2.191 1.00 0.00 H new ATOM 656 N LEU A 39 1.206 9.697 1.456 1.00 0.00 N ATOM 657 CA LEU A 39 1.229 11.160 1.526 1.00 0.00 C ATOM 658 C LEU A 39 2.199 11.752 0.504 1.00 0.00 C ATOM 659 O LEU A 39 3.112 11.073 0.031 1.00 0.00 O ATOM 660 CB LEU A 39 1.616 11.622 2.933 1.00 0.00 C ATOM 661 CG LEU A 39 0.722 12.715 3.526 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.704 12.213 3.683 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.278 13.187 4.862 1.00 0.00 C ATOM 0 H LEU A 39 2.107 9.253 1.633 1.00 0.00 H new ATOM 0 HA LEU A 39 0.226 11.516 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.600 10.760 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.643 11.987 2.909 1.00 0.00 H new ATOM 0 HG LEU A 39 0.710 13.562 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.324 13.004 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.098 11.925 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.715 11.349 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.632 13.964 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.320 12.347 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.281 13.588 4.717 1.00 0.00 H new ATOM 675 N ASP A 40 1.993 13.029 0.175 1.00 0.00 N ATOM 676 CA ASP A 40 2.843 13.733 -0.787 1.00 0.00 C ATOM 677 C ASP A 40 2.577 15.239 -0.765 1.00 0.00 C ATOM 678 O ASP A 40 3.512 16.043 -0.757 1.00 0.00 O ATOM 679 CB ASP A 40 2.629 13.186 -2.205 1.00 0.00 C ATOM 680 CG ASP A 40 1.164 12.979 -2.545 1.00 0.00 C ATOM 681 OD1 ASP A 40 0.520 13.943 -3.008 1.00 0.00 O ATOM 682 OD2 ASP A 40 0.662 11.856 -2.344 1.00 0.00 O ATOM 0 H ASP A 40 1.241 13.599 0.563 1.00 0.00 H new ATOM 0 HA ASP A 40 3.879 13.562 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.070 13.876 -2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.158 12.238 -2.307 1.00 0.00 H new ATOM 687 N ASP A 41 1.297 15.612 -0.763 1.00 0.00 N ATOM 688 CA ASP A 41 0.898 17.018 -0.747 1.00 0.00 C ATOM 689 C ASP A 41 1.035 17.652 0.645 1.00 0.00 C ATOM 690 O ASP A 41 0.693 18.821 0.831 1.00 0.00 O ATOM 691 CB ASP A 41 -0.544 17.155 -1.240 1.00 0.00 C ATOM 692 CG ASP A 41 -0.729 18.343 -2.162 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.393 18.222 -3.359 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.208 19.392 -1.687 1.00 0.00 O ATOM 0 H ASP A 41 0.516 14.956 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 41 1.574 17.553 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.834 16.244 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.210 17.256 -0.383 1.00 0.00 H new ATOM 699 N GLU A 42 1.534 16.889 1.622 1.00 0.00 N ATOM 700 CA GLU A 42 1.709 17.400 2.978 1.00 0.00 C ATOM 701 C GLU A 42 3.009 18.187 3.102 1.00 0.00 C ATOM 702 O GLU A 42 3.069 19.191 3.816 1.00 0.00 O ATOM 703 CB GLU A 42 1.699 16.250 3.985 1.00 0.00 C ATOM 704 CG GLU A 42 0.981 16.586 5.283 1.00 0.00 C ATOM 705 CD GLU A 42 1.699 16.061 6.514 1.00 0.00 C ATOM 706 OE1 GLU A 42 2.927 16.268 6.625 1.00 0.00 O ATOM 707 OE2 GLU A 42 1.029 15.443 7.368 1.00 0.00 O ATOM 0 H GLU A 42 1.822 15.919 1.496 1.00 0.00 H new ATOM 0 HA GLU A 42 0.878 18.071 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.222 15.383 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.727 15.966 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.877 17.668 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.026 16.170 5.252 1.00 0.00 H new ATOM 714 N GLY A 43 4.047 17.728 2.406 1.00 0.00 N ATOM 715 CA GLY A 43 5.328 18.406 2.456 1.00 0.00 C ATOM 716 C GLY A 43 5.804 18.865 1.091 1.00 0.00 C ATOM 717 O GLY A 43 5.891 20.066 0.830 1.00 0.00 O ATOM 0 H GLY A 43 4.022 16.900 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.252 19.269 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.071 17.737 2.889 1.00 0.00 H new ATOM 721 N LYS A 44 6.117 17.909 0.222 1.00 0.00 N ATOM 722 CA LYS A 44 6.592 18.213 -1.124 1.00 0.00 C ATOM 723 C LYS A 44 6.299 17.061 -2.075 1.00 0.00 C ATOM 724 O LYS A 44 6.927 16.004 -1.991 1.00 0.00 O ATOM 725 CB LYS A 44 8.095 18.502 -1.106 1.00 0.00 C ATOM 726 CG LYS A 44 8.429 19.981 -1.175 1.00 0.00 C ATOM 727 CD LYS A 44 9.729 20.225 -1.923 1.00 0.00 C ATOM 728 CE LYS A 44 10.629 21.192 -1.173 1.00 0.00 C ATOM 729 NZ LYS A 44 11.972 21.310 -1.805 1.00 0.00 N ATOM 0 H LYS A 44 6.050 16.912 0.427 1.00 0.00 H new ATOM 0 HA LYS A 44 6.063 19.098 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.527 18.082 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.565 17.992 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.618 20.515 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.508 20.385 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.250 19.279 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.511 20.623 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.157 22.174 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.742 20.857 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.554 21.979 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.434 20.378 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.867 21.655 -2.781 1.00 0.00 H new ATOM 743 N GLU A 45 5.349 17.272 -2.982 1.00 0.00 N ATOM 744 CA GLU A 45 4.978 16.248 -3.954 1.00 0.00 C ATOM 745 C GLU A 45 5.821 16.377 -5.227 1.00 0.00 C ATOM 746 O GLU A 45 5.289 16.396 -6.338 1.00 0.00 O ATOM 747 CB GLU A 45 3.484 16.357 -4.287 1.00 0.00 C ATOM 748 CG GLU A 45 2.937 15.155 -5.046 1.00 0.00 C ATOM 749 CD GLU A 45 2.505 15.491 -6.464 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.759 16.476 -6.645 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.912 14.760 -7.393 1.00 0.00 O ATOM 0 H GLU A 45 4.823 18.142 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 45 5.172 15.268 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.922 16.477 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.318 17.256 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.699 14.377 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.087 14.745 -4.501 1.00 0.00 H new ATOM 758 N ILE A 46 7.140 16.470 -5.056 1.00 0.00 N ATOM 759 CA ILE A 46 8.054 16.600 -6.188 1.00 0.00 C ATOM 760 C ILE A 46 9.160 15.546 -6.130 1.00 0.00 C ATOM 761 O ILE A 46 9.776 15.342 -5.082 1.00 0.00 O ATOM 762 CB ILE A 46 8.701 18.003 -6.231 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.637 19.097 -6.086 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.485 18.188 -7.522 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.481 19.605 -4.668 1.00 0.00 C ATOM 0 H ILE A 46 7.598 16.458 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 46 7.461 16.451 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 46 9.392 18.087 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.896 19.933 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.679 18.709 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.934 19.181 -7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.270 17.434 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.813 18.081 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.712 20.377 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.192 18.781 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.427 20.024 -4.325 1.00 0.00 H new ATOM 777 N PRO A 47 9.428 14.864 -7.265 1.00 0.00 N ATOM 778 CA PRO A 47 10.467 13.830 -7.346 1.00 0.00 C ATOM 779 C PRO A 47 11.879 14.419 -7.400 1.00 0.00 C ATOM 780 O PRO A 47 12.058 15.638 -7.339 1.00 0.00 O ATOM 781 CB PRO A 47 10.137 13.111 -8.655 1.00 0.00 C ATOM 782 CG PRO A 47 9.488 14.152 -9.501 1.00 0.00 C ATOM 783 CD PRO A 47 8.734 15.050 -8.557 1.00 0.00 C ATOM 0 HA PRO A 47 10.468 13.181 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.036 12.718 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.471 12.265 -8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.232 14.716 -10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.815 13.698 -10.228 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.766 16.090 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.683 14.769 -8.491 1.00 0.00 H new ATOM 791 N ALA A 48 12.879 13.542 -7.517 1.00 0.00 N ATOM 792 CA ALA A 48 14.277 13.968 -7.582 1.00 0.00 C ATOM 793 C ALA A 48 15.113 12.999 -8.417 1.00 0.00 C ATOM 794 O ALA A 48 15.784 13.404 -9.369 1.00 0.00 O ATOM 795 CB ALA A 48 14.857 14.094 -6.181 1.00 0.00 C ATOM 0 H ALA A 48 12.745 12.532 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 48 14.309 14.944 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.898 14.412 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.287 14.831 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.803 13.129 -5.677 1.00 0.00 H new ATOM 801 N THR A 49 15.068 11.718 -8.055 1.00 0.00 N ATOM 802 CA THR A 49 15.816 10.685 -8.769 1.00 0.00 C ATOM 803 C THR A 49 14.880 9.561 -9.211 1.00 0.00 C ATOM 804 O THR A 49 14.807 9.237 -10.399 1.00 0.00 O ATOM 805 CB THR A 49 16.944 10.132 -7.892 1.00 0.00 C ATOM 806 OG1 THR A 49 16.426 9.550 -6.710 1.00 0.00 O ATOM 807 CG2 THR A 49 17.952 11.184 -7.480 1.00 0.00 C ATOM 0 H THR A 49 14.519 11.370 -7.269 1.00 0.00 H new ATOM 0 HA THR A 49 16.262 11.133 -9.657 1.00 0.00 H new ATOM 0 HB THR A 49 17.448 9.388 -8.509 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.980 8.783 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.723 10.726 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.410 11.617 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.449 11.967 -6.913 1.00 0.00 H new ATOM 815 N ILE A 50 14.147 8.983 -8.254 1.00 0.00 N ATOM 816 CA ILE A 50 13.202 7.911 -8.559 1.00 0.00 C ATOM 817 C ILE A 50 11.772 8.316 -8.185 1.00 0.00 C ATOM 818 O ILE A 50 11.036 8.831 -9.028 1.00 0.00 O ATOM 819 CB ILE A 50 13.564 6.574 -7.864 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.357 6.808 -6.574 1.00 0.00 C ATOM 821 CG2 ILE A 50 14.351 5.683 -8.813 1.00 0.00 C ATOM 822 CD1 ILE A 50 14.297 5.640 -5.613 1.00 0.00 C ATOM 0 H ILE A 50 14.191 9.240 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 50 13.265 7.750 -9.635 1.00 0.00 H new ATOM 0 HB ILE A 50 12.633 6.075 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.398 7.008 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 50 13.973 7.699 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.599 4.747 -8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.750 5.473 -9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 50 15.269 6.190 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.879 5.872 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.261 5.454 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.708 4.752 -6.093 1.00 0.00 H new ATOM 834 N PHE A 51 11.387 8.088 -6.922 1.00 0.00 N ATOM 835 CA PHE A 51 10.048 8.432 -6.440 1.00 0.00 C ATOM 836 C PHE A 51 8.963 7.762 -7.291 1.00 0.00 C ATOM 837 O PHE A 51 8.590 8.261 -8.354 1.00 0.00 O ATOM 838 CB PHE A 51 9.872 9.960 -6.409 1.00 0.00 C ATOM 839 CG PHE A 51 8.439 10.430 -6.291 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.833 10.525 -5.046 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.703 10.782 -7.415 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.525 10.959 -4.926 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.396 11.215 -7.298 1.00 0.00 C ATOM 844 CZ PHE A 51 5.806 11.303 -6.052 1.00 0.00 C ATOM 0 H PHE A 51 11.989 7.665 -6.215 1.00 0.00 H new ATOM 0 HA PHE A 51 9.939 8.054 -5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.441 10.361 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.304 10.380 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.389 10.257 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.158 10.716 -8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.067 11.029 -3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.836 11.485 -8.181 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.784 11.640 -5.960 1.00 0.00 H new ATOM 854 N ASP A 52 8.468 6.621 -6.809 1.00 0.00 N ATOM 855 CA ASP A 52 7.430 5.863 -7.508 1.00 0.00 C ATOM 856 C ASP A 52 6.962 4.681 -6.660 1.00 0.00 C ATOM 857 O ASP A 52 7.776 3.879 -6.204 1.00 0.00 O ATOM 858 CB ASP A 52 7.953 5.346 -8.854 1.00 0.00 C ATOM 859 CG ASP A 52 6.845 5.074 -9.859 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.753 4.631 -9.442 1.00 0.00 O ATOM 861 OD2 ASP A 52 7.071 5.300 -11.065 1.00 0.00 O ATOM 0 H ASP A 52 8.772 6.200 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 52 6.588 6.533 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.645 6.077 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.519 4.429 -8.689 1.00 0.00 H new ATOM 866 N LYS A 53 5.649 4.573 -6.456 1.00 0.00 N ATOM 867 CA LYS A 53 5.098 3.475 -5.668 1.00 0.00 C ATOM 868 C LYS A 53 4.240 2.564 -6.539 1.00 0.00 C ATOM 869 O LYS A 53 3.401 3.034 -7.308 1.00 0.00 O ATOM 870 CB LYS A 53 4.269 4.005 -4.495 1.00 0.00 C ATOM 871 CG LYS A 53 4.903 5.179 -3.766 1.00 0.00 C ATOM 872 CD LYS A 53 4.126 6.462 -4.009 1.00 0.00 C ATOM 873 CE LYS A 53 5.050 7.663 -4.105 1.00 0.00 C ATOM 874 NZ LYS A 53 4.313 8.947 -3.937 1.00 0.00 N ATOM 0 H LYS A 53 4.955 5.225 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 53 5.934 2.899 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.289 4.307 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.106 3.195 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.939 4.970 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.932 5.305 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.550 6.371 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.412 6.615 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.825 7.587 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.553 7.657 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.854 9.718 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.380 8.874 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.190 9.147 -2.924 1.00 0.00 H new ATOM 888 N VAL A 54 4.458 1.260 -6.409 1.00 0.00 N ATOM 889 CA VAL A 54 3.710 0.271 -7.178 1.00 0.00 C ATOM 890 C VAL A 54 3.204 -0.846 -6.270 1.00 0.00 C ATOM 891 O VAL A 54 3.993 -1.550 -5.637 1.00 0.00 O ATOM 892 CB VAL A 54 4.570 -0.341 -8.304 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.694 -1.107 -9.288 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.368 0.741 -9.022 1.00 0.00 C ATOM 0 H VAL A 54 5.150 0.861 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 54 2.863 0.788 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 54 5.275 -1.041 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.317 -1.532 -10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.174 -1.909 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.964 -0.429 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.967 0.288 -9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.684 1.469 -9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.025 1.241 -8.310 1.00 0.00 H new ATOM 904 N ILE A 55 1.882 -0.997 -6.206 1.00 0.00 N ATOM 905 CA ILE A 55 1.262 -2.022 -5.369 1.00 0.00 C ATOM 906 C ILE A 55 0.700 -3.164 -6.212 1.00 0.00 C ATOM 907 O ILE A 55 0.200 -2.949 -7.317 1.00 0.00 O ATOM 908 CB ILE A 55 0.128 -1.437 -4.502 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.601 -0.164 -3.792 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.360 -2.470 -3.494 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.488 1.080 -4.647 1.00 0.00 C ATOM 0 H ILE A 55 1.219 -0.421 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 55 2.047 -2.407 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.707 -1.176 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.016 -0.025 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.639 -0.292 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.160 -2.040 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.735 -3.346 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.465 -2.764 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.840 1.943 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.096 0.961 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.553 1.233 -4.932 1.00 0.00 H new ATOM 923 N TYR A 56 0.783 -4.378 -5.677 1.00 0.00 N ATOM 924 CA TYR A 56 0.287 -5.562 -6.369 1.00 0.00 C ATOM 925 C TYR A 56 -0.431 -6.502 -5.403 1.00 0.00 C ATOM 926 O TYR A 56 -0.044 -6.628 -4.239 1.00 0.00 O ATOM 927 CB TYR A 56 1.443 -6.298 -7.055 1.00 0.00 C ATOM 928 CG TYR A 56 1.006 -7.506 -7.855 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.444 -7.360 -9.116 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.154 -8.791 -7.346 1.00 0.00 C ATOM 931 CE1 TYR A 56 0.043 -8.460 -9.849 1.00 0.00 C ATOM 932 CE2 TYR A 56 0.755 -9.895 -8.072 1.00 0.00 C ATOM 933 CZ TYR A 56 0.200 -9.726 -9.322 1.00 0.00 C ATOM 934 OH TYR A 56 -0.200 -10.824 -10.048 1.00 0.00 O ATOM 0 H TYR A 56 1.191 -4.568 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.428 -5.237 -7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.962 -5.604 -7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.160 -6.615 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.318 -6.371 -9.530 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.588 -8.928 -6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.391 -8.330 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.877 -10.887 -7.662 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.103 -11.087 -9.772 1.00 0.00 H new ATOM 944 N HIS A 57 -1.479 -7.157 -5.897 1.00 0.00 N ATOM 945 CA HIS A 57 -2.258 -8.087 -5.088 1.00 0.00 C ATOM 946 C HIS A 57 -3.186 -8.921 -5.968 1.00 0.00 C ATOM 947 O HIS A 57 -3.811 -8.391 -6.882 1.00 0.00 O ATOM 948 CB HIS A 57 -3.072 -7.325 -4.034 1.00 0.00 C ATOM 949 CG HIS A 57 -4.069 -6.361 -4.606 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.385 -6.315 -4.200 1.00 0.00 N ATOM 951 CD2 HIS A 57 -3.937 -5.400 -5.552 1.00 0.00 C ATOM 952 CE1 HIS A 57 -6.019 -5.370 -4.870 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.161 -4.798 -5.697 1.00 0.00 N ATOM 0 H HIS A 57 -1.808 -7.059 -6.857 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.567 -8.760 -4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.598 -8.045 -3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.386 -6.779 -3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.035 -5.154 -6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.061 -5.109 -4.761 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.374 -4.034 -6.338 1.00 0.00 H new ATOM 962 N LEU A 58 -3.268 -10.224 -5.683 1.00 0.00 N ATOM 963 CA LEU A 58 -4.121 -11.142 -6.447 1.00 0.00 C ATOM 964 C LEU A 58 -3.505 -11.458 -7.809 1.00 0.00 C ATOM 965 O LEU A 58 -2.830 -10.617 -8.406 1.00 0.00 O ATOM 966 CB LEU A 58 -5.531 -10.566 -6.632 1.00 0.00 C ATOM 967 CG LEU A 58 -6.143 -9.903 -5.393 1.00 0.00 C ATOM 968 CD1 LEU A 58 -7.112 -8.802 -5.798 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.839 -10.938 -4.518 1.00 0.00 C ATOM 0 H LEU A 58 -2.751 -10.670 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.197 -12.067 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.502 -9.832 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.193 -11.369 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.338 -9.453 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.536 -8.344 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.582 -8.046 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.913 -9.227 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.267 -10.447 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.633 -11.421 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.116 -11.687 -4.196 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.703 -4.123 -12.550 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.032 -3.888 -11.261 1.00 0.00 C ATOM 1073 C PRO A 65 -2.319 -2.494 -10.695 1.00 0.00 C ATOM 1074 O PRO A 65 -3.001 -1.686 -11.329 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.536 -4.034 -11.589 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.484 -4.684 -12.932 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.735 -4.260 -13.646 1.00 0.00 C ATOM 0 HA PRO A 65 -2.381 -4.584 -10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.041 -3.063 -11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.027 -4.640 -10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.404 -4.372 -13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.437 -5.769 -12.839 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.596 -3.322 -14.183 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.055 -5.002 -14.378 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.790 -2.217 -9.498 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.991 -0.921 -8.850 1.00 0.00 C ATOM 1087 C ASN A 66 -0.707 -0.092 -8.864 1.00 0.00 C ATOM 1088 O ASN A 66 0.387 -0.614 -8.650 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.477 -1.111 -7.407 1.00 0.00 C ATOM 1090 CG ASN A 66 -2.879 0.201 -6.751 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -3.211 1.172 -7.432 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -2.853 0.238 -5.423 1.00 0.00 N ATOM 0 H ASN A 66 -1.221 -2.872 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.753 -0.382 -9.413 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.328 -1.793 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.688 -1.580 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.114 1.093 -4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.572 -0.588 -4.895 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.857 1.207 -9.111 1.00 0.00 N ATOM 1100 CA ARG A 67 0.278 2.126 -9.150 1.00 0.00 C ATOM 1101 C ARG A 67 -0.054 3.426 -8.424 1.00 0.00 C ATOM 1102 O ARG A 67 -1.205 3.868 -8.426 1.00 0.00 O ATOM 1103 CB ARG A 67 0.671 2.423 -10.598 1.00 0.00 C ATOM 1104 CG ARG A 67 1.907 1.670 -11.065 1.00 0.00 C ATOM 1105 CD ARG A 67 1.545 0.549 -12.026 1.00 0.00 C ATOM 1106 NE ARG A 67 1.195 1.053 -13.355 1.00 0.00 N ATOM 1107 CZ ARG A 67 1.184 0.302 -14.459 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.489 -0.991 -14.399 1.00 0.00 N ATOM 1109 NH2 ARG A 67 0.861 0.845 -15.629 1.00 0.00 N ATOM 0 H ARG A 67 -1.759 1.649 -9.288 1.00 0.00 H new ATOM 0 HA ARG A 67 1.118 1.651 -8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.165 2.171 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.847 3.493 -10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.593 2.362 -11.553 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.430 1.257 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.385 -0.141 -12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.706 -0.018 -11.621 1.00 0.00 H new ATOM 0 HE ARG A 67 0.944 2.038 -13.443 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.734 -1.416 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.478 -1.557 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.622 1.835 -15.683 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.853 0.271 -16.472 1.00 0.00 H new ATOM 1123 N THR A 68 0.955 4.031 -7.804 1.00 0.00 N ATOM 1124 CA THR A 68 0.764 5.280 -7.073 1.00 0.00 C ATOM 1125 C THR A 68 1.835 6.302 -7.430 1.00 0.00 C ATOM 1126 O THR A 68 3.033 6.043 -7.292 1.00 0.00 O ATOM 1127 CB THR A 68 0.763 5.037 -5.563 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.222 3.734 -5.252 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.606 5.207 -4.937 1.00 0.00 C ATOM 0 H THR A 68 1.912 3.677 -7.793 1.00 0.00 H new ATOM 0 HA THR A 68 -0.207 5.680 -7.367 1.00 0.00 H new ATOM 0 HB THR A 68 1.435 5.790 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.471 3.692 -4.305 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.541 5.022 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.961 6.223 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.302 4.499 -5.386 1.00 0.00 H new ATOM 1137 N PHE A 69 1.386 7.469 -7.882 1.00 0.00 N ATOM 1138 CA PHE A 69 2.279 8.558 -8.262 1.00 0.00 C ATOM 1139 C PHE A 69 1.759 9.886 -7.714 1.00 0.00 C ATOM 1140 O PHE A 69 2.477 10.604 -7.016 1.00 0.00 O ATOM 1141 CB PHE A 69 2.409 8.622 -9.787 1.00 0.00 C ATOM 1142 CG PHE A 69 3.418 9.627 -10.275 1.00 0.00 C ATOM 1143 CD1 PHE A 69 3.052 10.946 -10.497 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.732 9.253 -10.514 1.00 0.00 C ATOM 1145 CE1 PHE A 69 3.974 11.870 -10.948 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.659 10.174 -10.965 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.280 11.484 -11.181 1.00 0.00 C ATOM 0 H PHE A 69 0.396 7.686 -7.995 1.00 0.00 H new ATOM 0 HA PHE A 69 3.264 8.371 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.685 7.635 -10.159 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.436 8.863 -10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.033 11.255 -10.315 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.035 8.230 -10.346 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.674 12.894 -11.118 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.679 9.869 -11.148 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.003 12.206 -11.531 1.00 0.00 H new ATOM 1157 N THR A 70 0.503 10.202 -8.035 1.00 0.00 N ATOM 1158 CA THR A 70 -0.126 11.441 -7.578 1.00 0.00 C ATOM 1159 C THR A 70 -1.656 11.300 -7.548 1.00 0.00 C ATOM 1160 O THR A 70 -2.386 12.226 -7.908 1.00 0.00 O ATOM 1161 CB THR A 70 0.293 12.604 -8.489 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.220 13.835 -8.012 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.168 12.439 -9.922 1.00 0.00 C ATOM 0 H THR A 70 -0.100 9.615 -8.611 1.00 0.00 H new ATOM 0 HA THR A 70 0.210 11.649 -6.562 1.00 0.00 H new ATOM 0 HB THR A 70 1.383 12.601 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.192 13.765 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.161 13.295 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.258 11.526 -10.339 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.256 12.377 -9.949 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.131 10.128 -7.122 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.565 9.853 -7.053 1.00 0.00 C ATOM 1173 C ASP A 71 -3.979 9.442 -5.638 1.00 0.00 C ATOM 1174 O ASP A 71 -3.157 8.956 -4.862 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.935 8.749 -8.050 1.00 0.00 C ATOM 1176 CG ASP A 71 -3.150 7.465 -7.828 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -1.945 7.439 -8.165 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -3.740 6.488 -7.320 1.00 0.00 O ATOM 0 H ASP A 71 -1.541 9.353 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.100 10.767 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.001 8.536 -7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.757 9.107 -9.064 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.269 9.641 -5.288 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.805 9.294 -3.959 1.00 0.00 C ATOM 1185 C PRO A 72 -5.606 7.815 -3.605 1.00 0.00 C ATOM 1186 O PRO A 72 -5.167 7.022 -4.441 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.302 9.613 -4.080 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.398 10.592 -5.197 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.306 10.224 -6.161 1.00 0.00 C ATOM 0 HA PRO A 72 -5.296 9.844 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.881 8.714 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.692 10.033 -3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.376 10.543 -5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.272 11.612 -4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.652 9.510 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.935 11.095 -6.701 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.925 7.427 -2.351 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.779 6.038 -1.882 1.00 0.00 C ATOM 1199 C PRO A 73 -6.574 5.039 -2.722 1.00 0.00 C ATOM 1200 O PRO A 73 -7.428 5.426 -3.522 1.00 0.00 O ATOM 1201 CB PRO A 73 -6.325 6.076 -0.451 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.235 7.503 -0.039 1.00 0.00 C ATOM 1203 CD PRO A 73 -6.449 8.307 -1.292 1.00 0.00 C ATOM 0 HA PRO A 73 -4.744 5.705 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.354 5.719 -0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.741 5.437 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.989 7.741 0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.263 7.721 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.503 8.539 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.915 9.257 -1.257 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.284 3.752 -2.533 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.966 2.695 -3.277 1.00 0.00 C ATOM 1213 C PHE A 74 -7.541 1.626 -2.342 1.00 0.00 C ATOM 1214 O PHE A 74 -6.914 0.590 -2.106 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.001 2.054 -4.284 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.332 2.364 -5.719 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.585 2.076 -6.234 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.387 2.940 -6.553 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.892 2.358 -7.551 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.686 3.224 -7.873 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.941 2.931 -8.372 1.00 0.00 C ATOM 0 H PHE A 74 -5.583 3.417 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.799 3.149 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.988 2.396 -4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.008 0.973 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.332 1.625 -5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.405 3.170 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.874 2.131 -7.938 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.941 3.674 -8.512 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.178 3.150 -9.403 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.742 1.883 -1.822 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.411 0.947 -0.927 1.00 0.00 C ATOM 1233 C ARG A 75 -10.462 0.130 -1.679 1.00 0.00 C ATOM 1234 O ARG A 75 -11.462 0.673 -2.149 1.00 0.00 O ATOM 1235 CB ARG A 75 -10.065 1.691 0.240 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.668 0.767 1.286 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.631 1.387 2.673 1.00 0.00 C ATOM 1238 NE ARG A 75 -11.812 2.203 2.944 1.00 0.00 N ATOM 1239 CZ ARG A 75 -13.036 1.706 3.139 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -13.249 0.392 3.093 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -14.052 2.525 3.382 1.00 0.00 N ATOM 0 H ARG A 75 -9.270 2.735 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.658 0.265 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.321 2.330 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.845 2.346 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.699 0.537 1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.123 -0.177 1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.558 0.597 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.736 2.002 2.771 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.694 3.215 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.474 -0.244 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.188 0.022 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.897 3.532 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.987 2.147 3.531 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.223 -1.177 -1.788 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.142 -2.076 -2.480 1.00 0.00 C ATOM 1257 C ILE A 76 -11.360 -3.359 -1.676 1.00 0.00 C ATOM 1258 O ILE A 76 -10.426 -4.138 -1.471 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.628 -2.444 -3.892 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.139 -1.196 -4.638 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.721 -3.144 -4.687 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -8.649 -0.958 -4.512 1.00 0.00 C ATOM 0 H ILE A 76 -9.397 -1.636 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.088 -1.544 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.785 -3.126 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.395 -1.290 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.671 -0.324 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.345 -3.397 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.021 -4.055 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.581 -2.482 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.376 -0.059 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.388 -0.831 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.108 -1.812 -4.919 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.596 -3.573 -1.224 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.937 -4.761 -0.443 1.00 0.00 C ATOM 1276 C GLU A 77 -14.054 -5.557 -1.118 1.00 0.00 C ATOM 1277 O GLU A 77 -14.961 -4.979 -1.720 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.349 -4.366 0.980 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.574 -3.461 1.041 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.893 -3.001 2.452 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.958 -3.858 3.359 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -15.080 -1.781 2.650 1.00 0.00 O ATOM 0 H GLU A 77 -13.378 -2.938 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.052 -5.395 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.549 -5.271 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.512 -3.861 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.409 -2.589 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.434 -3.992 0.633 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.980 -6.888 -1.017 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.983 -7.758 -1.624 1.00 0.00 C ATOM 1291 C GLU A 78 -15.023 -9.126 -0.942 1.00 0.00 C ATOM 1292 O GLU A 78 -14.121 -9.481 -0.179 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.698 -7.929 -3.120 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.954 -7.955 -3.981 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.967 -6.864 -5.037 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.819 -5.678 -4.672 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -16.127 -7.197 -6.231 1.00 0.00 O ATOM 0 H GLU A 78 -13.237 -7.382 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.957 -7.286 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.055 -7.115 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.144 -8.855 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.035 -8.927 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.830 -7.845 -3.341 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.079 -9.889 -1.231 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.255 -11.221 -0.659 1.00 0.00 C ATOM 1306 C GLN A 79 -16.409 -12.275 -1.756 1.00 0.00 C ATOM 1307 O GLN A 79 -16.549 -11.944 -2.935 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.477 -11.245 0.268 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.789 -10.904 -0.424 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.700 -10.055 0.444 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.807 -8.845 0.251 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -20.361 -10.687 1.410 1.00 0.00 N ATOM 0 H GLN A 79 -16.828 -9.603 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.363 -11.459 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.561 -12.236 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.315 -10.540 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.579 -10.373 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -19.304 -11.826 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.243 -11.692 1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.986 -10.166 2.025 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.379 -13.546 -1.353 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.513 -14.636 -2.305 1.00 0.00 C ATOM 1323 C GLY A 80 -15.175 -15.226 -2.702 1.00 0.00 C ATOM 1324 O GLY A 80 -14.760 -16.254 -2.167 1.00 0.00 O ATOM 0 H GLY A 80 -16.264 -13.839 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.137 -15.418 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.026 -14.275 -3.196 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.497 -14.577 -3.647 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.196 -15.048 -4.118 1.00 0.00 C ATOM 1330 C TRP A 81 -12.093 -14.065 -3.738 1.00 0.00 C ATOM 1331 O TRP A 81 -12.089 -12.917 -4.189 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.224 -15.251 -5.635 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.106 -16.383 -6.073 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.393 -16.618 -5.681 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.768 -17.436 -6.988 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.874 -17.751 -6.289 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.897 -18.271 -7.097 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.623 -17.754 -7.724 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -14.911 -19.400 -7.911 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -12.641 -18.876 -8.532 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -13.779 -19.687 -8.620 1.00 0.00 C ATOM 0 H TRP A 81 -14.826 -13.725 -4.101 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.984 -16.003 -3.637 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.565 -14.331 -6.110 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.209 -15.435 -5.987 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.952 -16.002 -4.992 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -16.807 -18.142 -6.160 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.740 -17.135 -7.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -15.787 -20.028 -7.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.762 -19.131 -9.105 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.762 -20.556 -9.261 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.158 -14.521 -2.904 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.063 -13.667 -2.477 1.00 0.00 C ATOM 1354 C GLY A 82 -8.993 -14.423 -1.711 1.00 0.00 C ATOM 1355 O GLY A 82 -9.045 -14.504 -0.481 1.00 0.00 O ATOM 0 H GLY A 82 -11.141 -15.465 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.613 -13.196 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.456 -12.867 -1.850 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.020 -14.973 -2.436 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.946 -15.712 -1.799 1.00 0.00 C ATOM 1361 C GLY A 83 -5.721 -15.845 -2.686 1.00 0.00 C ATOM 1362 O GLY A 83 -5.462 -16.916 -3.234 1.00 0.00 O ATOM 0 H GLY A 83 -7.958 -14.919 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.666 -15.212 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.304 -16.706 -1.529 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.970 -14.751 -2.828 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.765 -14.749 -3.660 1.00 0.00 C ATOM 1368 C PHE A 84 -2.662 -13.877 -3.044 1.00 0.00 C ATOM 1369 O PHE A 84 -2.918 -13.097 -2.127 1.00 0.00 O ATOM 1370 CB PHE A 84 -4.105 -14.252 -5.069 1.00 0.00 C ATOM 1371 CG PHE A 84 -4.637 -15.327 -5.980 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -3.821 -16.364 -6.402 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.953 -15.295 -6.415 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -4.307 -17.350 -7.242 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -6.445 -16.277 -7.252 1.00 0.00 C ATOM 1376 CZ PHE A 84 -5.620 -17.305 -7.668 1.00 0.00 C ATOM 0 H PHE A 84 -5.174 -13.858 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.391 -15.771 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.843 -13.454 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.211 -13.819 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.794 -16.403 -6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.601 -14.492 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.661 -18.153 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.473 -16.242 -7.581 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.002 -18.072 -8.325 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.414 -14.016 -3.538 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.255 -13.254 -3.030 1.00 0.00 C ATOM 1388 C PRO A 85 -0.351 -11.745 -3.281 1.00 0.00 C ATOM 1389 O PRO A 85 -1.241 -11.272 -3.992 1.00 0.00 O ATOM 1390 CB PRO A 85 0.926 -13.847 -3.807 1.00 0.00 C ATOM 1391 CG PRO A 85 0.323 -14.436 -5.034 1.00 0.00 C ATOM 1392 CD PRO A 85 -1.027 -14.941 -4.620 1.00 0.00 C ATOM 0 HA PRO A 85 -0.173 -13.341 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.659 -13.080 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.445 -14.605 -3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.237 -13.691 -5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.941 -15.245 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.738 -14.915 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.982 -15.973 -4.271 1.00 0.00 H new ATOM 1400 N LEU A 86 0.582 -11.001 -2.677 1.00 0.00 N ATOM 1401 CA LEU A 86 0.636 -9.543 -2.804 1.00 0.00 C ATOM 1402 C LEU A 86 2.085 -9.051 -2.857 1.00 0.00 C ATOM 1403 O LEU A 86 3.003 -9.748 -2.419 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.074 -8.884 -1.618 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.601 -8.984 -1.621 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.059 -10.219 -0.858 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.216 -7.727 -1.023 1.00 0.00 C ATOM 0 H LEU A 86 1.318 -11.392 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 86 0.135 -9.269 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.300 -9.334 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.203 -7.830 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.938 -9.076 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.148 -10.272 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.646 -11.111 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.712 -10.159 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.303 -7.814 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.870 -7.606 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.916 -6.860 -1.611 1.00 0.00 H new ATOM 1419 N ASP A 87 2.277 -7.841 -3.382 1.00 0.00 N ATOM 1420 CA ASP A 87 3.605 -7.238 -3.482 1.00 0.00 C ATOM 1421 C ASP A 87 3.503 -5.713 -3.529 1.00 0.00 C ATOM 1422 O ASP A 87 2.995 -5.150 -4.497 1.00 0.00 O ATOM 1423 CB ASP A 87 4.336 -7.751 -4.727 1.00 0.00 C ATOM 1424 CG ASP A 87 5.789 -7.317 -4.766 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.058 -6.176 -5.198 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.658 -8.117 -4.363 1.00 0.00 O ATOM 0 H ASP A 87 1.525 -7.257 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 87 4.174 -7.524 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.284 -8.839 -4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.827 -7.387 -5.619 1.00 0.00 H new ATOM 1431 N ILE A 88 3.987 -5.048 -2.478 1.00 0.00 N ATOM 1432 CA ILE A 88 3.939 -3.587 -2.412 1.00 0.00 C ATOM 1433 C ILE A 88 5.343 -2.987 -2.358 1.00 0.00 C ATOM 1434 O ILE A 88 6.140 -3.329 -1.482 1.00 0.00 O ATOM 1435 CB ILE A 88 3.131 -3.101 -1.188 1.00 0.00 C ATOM 1436 CG1 ILE A 88 1.781 -3.825 -1.110 1.00 0.00 C ATOM 1437 CG2 ILE A 88 2.929 -1.592 -1.249 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.743 -4.929 -0.075 1.00 0.00 C ATOM 0 H ILE A 88 4.414 -5.495 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 88 3.441 -3.249 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 88 3.696 -3.336 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.001 -3.098 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.548 -4.247 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.358 -1.266 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.899 -1.095 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.385 -1.334 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.758 -5.396 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.499 -5.677 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.944 -4.510 0.911 1.00 0.00 H new ATOM 1450 N SER A 89 5.638 -2.088 -3.299 1.00 0.00 N ATOM 1451 CA SER A 89 6.942 -1.436 -3.363 1.00 0.00 C ATOM 1452 C SER A 89 6.791 0.084 -3.391 1.00 0.00 C ATOM 1453 O SER A 89 5.993 0.624 -4.162 1.00 0.00 O ATOM 1454 CB SER A 89 7.716 -1.912 -4.596 1.00 0.00 C ATOM 1455 OG SER A 89 7.117 -1.442 -5.794 1.00 0.00 O ATOM 0 H SER A 89 4.987 -1.796 -4.028 1.00 0.00 H new ATOM 0 HA SER A 89 7.501 -1.709 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.746 -1.560 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.751 -3.001 -4.608 1.00 0.00 H new ATOM 0 HG SER A 89 6.141 -1.475 -5.707 1.00 0.00 H new ATOM 1461 N VAL A 90 7.558 0.768 -2.547 1.00 0.00 N ATOM 1462 CA VAL A 90 7.507 2.225 -2.472 1.00 0.00 C ATOM 1463 C VAL A 90 8.892 2.834 -2.689 1.00 0.00 C ATOM 1464 O VAL A 90 9.887 2.334 -2.161 1.00 0.00 O ATOM 1465 CB VAL A 90 6.947 2.695 -1.111 1.00 0.00 C ATOM 1466 CG1 VAL A 90 6.735 4.202 -1.102 1.00 0.00 C ATOM 1467 CG2 VAL A 90 5.648 1.967 -0.790 1.00 0.00 C ATOM 0 H VAL A 90 8.223 0.337 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 90 6.840 2.565 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 90 7.678 2.453 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.340 4.508 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.686 4.704 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.027 4.475 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.267 2.310 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.912 2.176 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.834 0.894 -0.745 1.00 0.00 H new ATOM 1477 N PHE A 91 8.947 3.913 -3.472 1.00 0.00 N ATOM 1478 CA PHE A 91 10.205 4.598 -3.767 1.00 0.00 C ATOM 1479 C PHE A 91 10.052 6.104 -3.557 1.00 0.00 C ATOM 1480 O PHE A 91 8.944 6.641 -3.638 1.00 0.00 O ATOM 1481 CB PHE A 91 10.657 4.310 -5.206 1.00 0.00 C ATOM 1482 CG PHE A 91 11.001 2.866 -5.465 1.00 0.00 C ATOM 1483 CD1 PHE A 91 10.018 1.887 -5.429 1.00 0.00 C ATOM 1484 CD2 PHE A 91 12.305 2.489 -5.742 1.00 0.00 C ATOM 1485 CE1 PHE A 91 10.332 0.563 -5.667 1.00 0.00 C ATOM 1486 CE2 PHE A 91 12.623 1.166 -5.979 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.637 0.201 -5.940 1.00 0.00 C ATOM 0 H PHE A 91 8.130 4.332 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 91 10.966 4.221 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.865 4.612 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.527 4.926 -5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.997 2.163 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.082 3.238 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.557 -0.189 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.644 0.886 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 91 11.885 -0.834 -6.122 1.00 0.00 H new ATOM 1497 N LEU A 92 11.166 6.781 -3.280 1.00 0.00 N ATOM 1498 CA LEU A 92 11.152 8.224 -3.046 1.00 0.00 C ATOM 1499 C LEU A 92 12.376 8.895 -3.670 1.00 0.00 C ATOM 1500 O LEU A 92 12.245 9.839 -4.449 1.00 0.00 O ATOM 1501 CB LEU A 92 11.088 8.499 -1.536 1.00 0.00 C ATOM 1502 CG LEU A 92 11.136 9.975 -1.107 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.567 10.483 -1.065 1.00 0.00 C ATOM 1504 CD2 LEU A 92 10.284 10.839 -2.026 1.00 0.00 C ATOM 0 H LEU A 92 12.089 6.353 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 92 10.269 8.648 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.169 8.060 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.917 7.977 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 92 10.723 10.043 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.573 11.529 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.142 9.893 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.015 10.392 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.336 11.878 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.656 10.760 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.249 10.498 -1.989 1.00 0.00 H new ATOM 1516 N LEU A 93 13.566 8.403 -3.325 1.00 0.00 N ATOM 1517 CA LEU A 93 14.805 8.963 -3.860 1.00 0.00 C ATOM 1518 C LEU A 93 15.915 7.909 -3.902 1.00 0.00 C ATOM 1519 O LEU A 93 16.547 7.705 -4.938 1.00 0.00 O ATOM 1520 CB LEU A 93 15.253 10.169 -3.023 1.00 0.00 C ATOM 1521 CG LEU A 93 16.260 11.106 -3.700 1.00 0.00 C ATOM 1522 CD1 LEU A 93 16.390 12.407 -2.921 1.00 0.00 C ATOM 1523 CD2 LEU A 93 17.615 10.422 -3.835 1.00 0.00 C ATOM 0 H LEU A 93 13.697 7.623 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 93 14.610 9.293 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.371 10.748 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.692 9.802 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 93 15.893 11.343 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 93 17.109 13.058 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.421 12.903 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.733 12.192 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 93 18.319 11.100 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.988 10.155 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 93 17.509 9.520 -4.438 1.00 0.00 H new ATOM 1535 N GLU A 94 16.154 7.244 -2.771 1.00 0.00 N ATOM 1536 CA GLU A 94 17.194 6.218 -2.691 1.00 0.00 C ATOM 1537 C GLU A 94 17.107 5.446 -1.374 1.00 0.00 C ATOM 1538 O GLU A 94 16.851 4.241 -1.370 1.00 0.00 O ATOM 1539 CB GLU A 94 18.580 6.854 -2.838 1.00 0.00 C ATOM 1540 CG GLU A 94 19.700 5.843 -3.036 1.00 0.00 C ATOM 1541 CD GLU A 94 20.969 6.211 -2.289 1.00 0.00 C ATOM 1542 OE1 GLU A 94 20.879 6.528 -1.083 1.00 0.00 O ATOM 1543 OE2 GLU A 94 22.052 6.178 -2.910 1.00 0.00 O ATOM 0 H GLU A 94 15.644 7.397 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 94 17.036 5.515 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.567 7.539 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.793 7.449 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.360 4.862 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.922 5.759 -4.100 1.00 0.00 H new ATOM 1550 N LYS A 95 17.319 6.150 -0.259 1.00 0.00 N ATOM 1551 CA LYS A 95 17.262 5.532 1.066 1.00 0.00 C ATOM 1552 C LYS A 95 16.262 6.254 1.978 1.00 0.00 C ATOM 1553 O LYS A 95 16.348 6.157 3.205 1.00 0.00 O ATOM 1554 CB LYS A 95 18.653 5.521 1.711 1.00 0.00 C ATOM 1555 CG LYS A 95 19.292 6.899 1.831 1.00 0.00 C ATOM 1556 CD LYS A 95 19.303 7.388 3.273 1.00 0.00 C ATOM 1557 CE LYS A 95 19.742 8.841 3.369 1.00 0.00 C ATOM 1558 NZ LYS A 95 21.200 9.003 3.106 1.00 0.00 N ATOM 0 H LYS A 95 17.531 7.148 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 95 16.921 4.505 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.578 5.079 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.309 4.878 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.313 6.862 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.746 7.609 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.307 7.279 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 95 19.974 6.765 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.176 9.438 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.508 9.225 4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 21.457 10.008 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.742 8.454 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 21.420 8.660 2.149 1.00 0.00 H new ATOM 1572 N ALA A 96 15.311 6.970 1.375 1.00 0.00 N ATOM 1573 CA ALA A 96 14.296 7.693 2.135 1.00 0.00 C ATOM 1574 C ALA A 96 13.108 6.789 2.443 1.00 0.00 C ATOM 1575 O ALA A 96 12.681 6.679 3.592 1.00 0.00 O ATOM 1576 CB ALA A 96 13.838 8.925 1.368 1.00 0.00 C ATOM 0 H ALA A 96 15.225 7.063 0.363 1.00 0.00 H new ATOM 0 HA ALA A 96 14.738 8.013 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.081 9.454 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.689 9.584 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.415 8.621 0.410 1.00 0.00 H new ATOM 1582 N GLY A 97 12.587 6.137 1.405 1.00 0.00 N ATOM 1583 CA GLY A 97 11.458 5.238 1.573 1.00 0.00 C ATOM 1584 C GLY A 97 11.460 4.099 0.565 1.00 0.00 C ATOM 1585 O GLY A 97 10.412 3.519 0.277 1.00 0.00 O ATOM 0 H GLY A 97 12.929 6.217 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.474 4.825 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.531 5.803 1.475 1.00 0.00 H new ATOM 1589 N GLU A 98 12.641 3.775 0.028 1.00 0.00 N ATOM 1590 CA GLU A 98 12.773 2.700 -0.948 1.00 0.00 C ATOM 1591 C GLU A 98 12.717 1.334 -0.262 1.00 0.00 C ATOM 1592 O GLU A 98 13.753 0.749 0.063 1.00 0.00 O ATOM 1593 CB GLU A 98 14.082 2.847 -1.729 1.00 0.00 C ATOM 1594 CG GLU A 98 13.966 2.432 -3.187 1.00 0.00 C ATOM 1595 CD GLU A 98 15.165 1.637 -3.666 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.377 0.516 -3.156 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.889 2.135 -4.554 1.00 0.00 O ATOM 0 H GLU A 98 13.517 4.245 0.256 1.00 0.00 H new ATOM 0 HA GLU A 98 11.938 2.769 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.411 3.885 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.853 2.245 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.063 1.836 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.854 3.322 -3.806 1.00 0.00 H new ATOM 1604 N ARG A 99 11.502 0.838 -0.039 1.00 0.00 N ATOM 1605 CA ARG A 99 11.307 -0.453 0.613 1.00 0.00 C ATOM 1606 C ARG A 99 10.136 -1.212 -0.007 1.00 0.00 C ATOM 1607 O ARG A 99 9.144 -0.610 -0.426 1.00 0.00 O ATOM 1608 CB ARG A 99 11.071 -0.259 2.113 1.00 0.00 C ATOM 1609 CG ARG A 99 12.349 -0.240 2.937 1.00 0.00 C ATOM 1610 CD ARG A 99 12.508 -1.513 3.759 1.00 0.00 C ATOM 1611 NE ARG A 99 13.905 -1.782 4.102 1.00 0.00 N ATOM 1612 CZ ARG A 99 14.564 -1.172 5.094 1.00 0.00 C ATOM 1613 NH1 ARG A 99 13.966 -0.234 5.827 1.00 0.00 N ATOM 1614 NH2 ARG A 99 15.827 -1.497 5.348 1.00 0.00 N ATOM 0 H ARG A 99 10.637 1.312 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 99 12.211 -1.044 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.535 0.677 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.427 -1.060 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.207 -0.125 2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.341 0.624 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.922 -1.428 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.105 -2.357 3.199 1.00 0.00 H new ATOM 0 HE ARG A 99 14.408 -2.478 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.998 0.024 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.476 0.226 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.293 -2.210 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.331 -1.033 6.104 1.00 0.00 H new ATOM 1628 N LYS A 100 10.256 -2.540 -0.052 1.00 0.00 N ATOM 1629 CA LYS A 100 9.211 -3.395 -0.610 1.00 0.00 C ATOM 1630 C LYS A 100 8.783 -4.450 0.409 1.00 0.00 C ATOM 1631 O LYS A 100 9.593 -4.901 1.221 1.00 0.00 O ATOM 1632 CB LYS A 100 9.702 -4.079 -1.892 1.00 0.00 C ATOM 1633 CG LYS A 100 10.435 -3.146 -2.845 1.00 0.00 C ATOM 1634 CD LYS A 100 10.596 -3.769 -4.224 1.00 0.00 C ATOM 1635 CE LYS A 100 11.939 -4.469 -4.371 1.00 0.00 C ATOM 1636 NZ LYS A 100 12.219 -4.852 -5.785 1.00 0.00 N ATOM 0 H LYS A 100 11.071 -3.047 0.293 1.00 0.00 H new ATOM 0 HA LYS A 100 8.353 -2.768 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.365 -4.902 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.848 -4.514 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.887 -2.208 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.417 -2.905 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.792 -4.484 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.503 -2.995 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.731 -3.813 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.953 -5.361 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.143 -5.326 -5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.478 -5.499 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.231 -3.999 -6.380 1.00 0.00 H new ATOM 1650 N ILE A 101 7.506 -4.836 0.369 1.00 0.00 N ATOM 1651 CA ILE A 101 6.981 -5.833 1.299 1.00 0.00 C ATOM 1652 C ILE A 101 5.867 -6.677 0.664 1.00 0.00 C ATOM 1653 O ILE A 101 4.774 -6.180 0.386 1.00 0.00 O ATOM 1654 CB ILE A 101 6.462 -5.169 2.598 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.019 -6.233 3.608 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.323 -4.200 2.300 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.165 -7.026 4.198 1.00 0.00 C ATOM 0 H ILE A 101 6.821 -4.474 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 101 7.809 -6.496 1.549 1.00 0.00 H new ATOM 0 HB ILE A 101 7.281 -4.599 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.470 -5.749 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.327 -6.919 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.977 -3.748 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.676 -3.419 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.500 -4.739 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.775 -7.759 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.701 -7.540 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.846 -6.351 4.716 1.00 0.00 H new ATOM 1669 N PRO A 102 6.137 -7.978 0.431 1.00 0.00 N ATOM 1670 CA PRO A 102 5.168 -8.900 -0.164 1.00 0.00 C ATOM 1671 C PRO A 102 4.239 -9.523 0.882 1.00 0.00 C ATOM 1672 O PRO A 102 4.694 -9.981 1.932 1.00 0.00 O ATOM 1673 CB PRO A 102 6.069 -9.963 -0.791 1.00 0.00 C ATOM 1674 CG PRO A 102 7.270 -10.018 0.096 1.00 0.00 C ATOM 1675 CD PRO A 102 7.416 -8.652 0.725 1.00 0.00 C ATOM 0 HA PRO A 102 4.498 -8.409 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.567 -10.929 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.343 -9.697 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.149 -10.784 0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.161 -10.276 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.590 -8.725 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.260 -8.107 0.302 1.00 0.00 H new ATOM 1683 N HIS A 103 2.939 -9.528 0.593 1.00 0.00 N ATOM 1684 CA HIS A 103 1.947 -10.086 1.514 1.00 0.00 C ATOM 1685 C HIS A 103 1.292 -11.342 0.932 1.00 0.00 C ATOM 1686 O HIS A 103 1.372 -11.595 -0.269 1.00 0.00 O ATOM 1687 CB HIS A 103 0.873 -9.039 1.830 1.00 0.00 C ATOM 1688 CG HIS A 103 1.319 -7.975 2.792 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.611 -7.872 3.268 1.00 0.00 N ATOM 1690 CD2 HIS A 103 0.628 -6.962 3.365 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.692 -6.844 4.093 1.00 0.00 C ATOM 1692 NE2 HIS A 103 1.503 -6.275 4.169 1.00 0.00 N ATOM 0 H HIS A 103 2.547 -9.153 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 103 2.463 -10.365 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.558 -8.565 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.001 -9.543 2.242 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.382 -8.493 3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.418 -6.736 3.217 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.580 -6.523 4.617 1.00 0.00 H new ATOM 1701 N ASP A 104 0.641 -12.121 1.797 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.040 -13.347 1.380 1.00 0.00 C ATOM 1703 C ASP A 104 -1.502 -13.321 1.824 1.00 0.00 C ATOM 1704 O ASP A 104 -1.808 -12.900 2.939 1.00 0.00 O ATOM 1705 CB ASP A 104 0.665 -14.574 1.970 1.00 0.00 C ATOM 1706 CG ASP A 104 1.772 -15.103 1.076 1.00 0.00 C ATOM 1707 OD1 ASP A 104 2.615 -14.298 0.632 1.00 0.00 O ATOM 1708 OD2 ASP A 104 1.798 -16.325 0.825 1.00 0.00 O ATOM 0 H ASP A 104 0.571 -11.923 2.795 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.004 -13.409 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.083 -14.315 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.068 -15.363 2.138 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.403 -13.770 0.948 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.831 -13.787 1.256 1.00 0.00 C ATOM 1715 C LEU A 105 -4.404 -15.197 1.110 1.00 0.00 C ATOM 1716 O LEU A 105 -4.826 -15.593 0.025 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.573 -12.811 0.329 1.00 0.00 C ATOM 1718 CG LEU A 105 -6.042 -12.549 0.679 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.164 -11.379 1.642 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.852 -12.284 -0.583 1.00 0.00 C ATOM 0 H LEU A 105 -2.168 -14.126 0.021 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.967 -13.473 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.042 -11.859 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.524 -13.198 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.441 -13.439 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.215 -11.210 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.618 -11.604 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.747 -10.484 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.893 -12.100 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.450 -11.411 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.794 -13.151 -1.241 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.419 -15.955 2.209 1.00 0.00 N ATOM 1733 CA ASN A 106 -4.955 -17.320 2.188 1.00 0.00 C ATOM 1734 C ASN A 106 -5.141 -17.884 3.604 1.00 0.00 C ATOM 1735 O ASN A 106 -4.982 -19.086 3.828 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.045 -18.243 1.369 1.00 0.00 C ATOM 1737 CG ASN A 106 -4.815 -19.388 0.741 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -4.456 -20.555 0.900 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -5.881 -19.059 0.019 1.00 0.00 N ATOM 0 H ASN A 106 -4.070 -15.651 3.118 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.937 -17.275 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.552 -17.665 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.261 -18.643 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.438 -19.787 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.143 -18.079 -0.087 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.487 -17.013 4.553 1.00 0.00 N ATOM 1747 CA PHE A 107 -5.698 -17.424 5.938 1.00 0.00 C ATOM 1748 C PHE A 107 -6.869 -16.664 6.557 1.00 0.00 C ATOM 1749 O PHE A 107 -6.891 -15.431 6.534 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.429 -17.186 6.766 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.230 -17.954 6.276 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.429 -17.441 5.267 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.910 -19.186 6.821 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.329 -18.145 4.813 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.812 -19.894 6.371 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.021 -19.374 5.365 1.00 0.00 C ATOM 0 H PHE A 107 -5.627 -16.017 4.385 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.932 -18.489 5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.195 -16.121 6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.626 -17.461 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.667 -16.482 4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.526 -19.598 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.711 -17.735 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.572 -20.853 6.806 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.164 -19.927 5.011 1.00 0.00 H new ATOM 1766 N LEU A 108 -7.834 -17.400 7.111 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.001 -16.787 7.737 1.00 0.00 C ATOM 1768 C LEU A 108 -8.577 -15.846 8.864 1.00 0.00 C ATOM 1769 O LEU A 108 -7.753 -16.205 9.709 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.960 -17.860 8.272 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.450 -18.660 9.476 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.995 -18.083 10.777 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.832 -20.126 9.341 1.00 0.00 C ATOM 0 H LEU A 108 -7.828 -18.420 7.138 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.524 -16.205 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.898 -17.379 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.185 -18.556 7.464 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.363 -18.587 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.621 -18.666 11.619 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.671 -17.047 10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.084 -18.122 10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.462 -20.679 10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.917 -20.216 9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.391 -20.535 8.432 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.140 -14.638 8.855 1.00 0.00 N ATOM 1786 CA GLN A 109 -8.830 -13.624 9.861 1.00 0.00 C ATOM 1787 C GLN A 109 -7.433 -13.045 9.630 1.00 0.00 C ATOM 1788 O GLN A 109 -6.520 -13.244 10.434 1.00 0.00 O ATOM 1789 CB GLN A 109 -8.942 -14.211 11.273 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.527 -13.245 12.291 1.00 0.00 C ATOM 1791 CD GLN A 109 -10.408 -13.937 13.313 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -9.914 -14.560 14.253 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.722 -13.832 13.137 1.00 0.00 N ATOM 0 H GLN A 109 -9.819 -14.337 8.156 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.556 -12.817 9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.562 -15.107 11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.952 -14.522 11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.716 -12.730 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.109 -12.484 11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.090 -13.306 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.362 -14.277 13.795 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.276 -12.322 8.519 1.00 0.00 N ATOM 1803 CA GLU A 110 -5.998 -11.712 8.178 1.00 0.00 C ATOM 1804 C GLU A 110 -5.917 -10.290 8.711 1.00 0.00 C ATOM 1805 O GLU A 110 -6.901 -9.546 8.679 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.777 -11.704 6.664 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.420 -11.145 6.256 1.00 0.00 C ATOM 1808 CD GLU A 110 -4.032 -11.511 4.835 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -4.305 -12.656 4.418 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.451 -10.652 4.141 1.00 0.00 O ATOM 0 H GLU A 110 -8.020 -12.147 7.843 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.216 -12.312 8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.872 -12.721 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.562 -11.113 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.436 -10.060 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.659 -11.517 6.942 1.00 0.00 H new ATOM 1817 N SER A 111 -4.734 -9.925 9.193 1.00 0.00 N ATOM 1818 CA SER A 111 -4.492 -8.597 9.735 1.00 0.00 C ATOM 1819 C SER A 111 -3.068 -8.149 9.406 1.00 0.00 C ATOM 1820 O SER A 111 -2.235 -7.967 10.296 1.00 0.00 O ATOM 1821 CB SER A 111 -4.724 -8.599 11.247 1.00 0.00 C ATOM 1822 OG SER A 111 -4.934 -7.285 11.737 1.00 0.00 O ATOM 0 H SER A 111 -3.920 -10.540 9.218 1.00 0.00 H new ATOM 0 HA SER A 111 -5.188 -7.892 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.588 -9.220 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.864 -9.044 11.749 1.00 0.00 H new ATOM 0 HG SER A 111 -5.081 -7.317 12.705 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.801 -7.978 8.111 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.485 -7.557 7.648 1.00 0.00 C ATOM 1830 C TYR A 112 -1.503 -6.086 7.251 1.00 0.00 C ATOM 1831 O TYR A 112 -2.245 -5.682 6.354 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.036 -8.421 6.466 1.00 0.00 C ATOM 1833 CG TYR A 112 0.204 -9.237 6.750 1.00 0.00 C ATOM 1834 CD1 TYR A 112 1.468 -8.712 6.523 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.109 -10.532 7.246 1.00 0.00 C ATOM 1836 CE1 TYR A 112 2.605 -9.454 6.776 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.241 -11.280 7.504 1.00 0.00 C ATOM 1838 CZ TYR A 112 2.486 -10.737 7.268 1.00 0.00 C ATOM 1839 OH TYR A 112 3.615 -11.483 7.518 1.00 0.00 O ATOM 0 H TYR A 112 -3.482 -8.126 7.366 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.775 -7.685 8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.848 -9.094 6.189 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.848 -7.777 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.564 -7.706 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.865 -10.960 7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.582 -9.032 6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.151 -12.285 7.889 1.00 0.00 H new ATOM 0 HH TYR A 112 3.356 -12.363 7.862 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.686 -5.291 7.933 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.610 -3.860 7.669 1.00 0.00 C ATOM 1851 C GLU A 113 0.828 -3.354 7.774 1.00 0.00 C ATOM 1852 O GLU A 113 1.526 -3.640 8.749 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.504 -3.103 8.654 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.877 -1.702 8.193 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.128 -0.745 9.346 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -2.787 -1.151 10.327 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -1.668 0.413 9.264 1.00 0.00 O ATOM 0 H GLU A 113 -0.066 -5.615 8.675 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.957 -3.682 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.416 -3.677 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.994 -3.035 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.077 -1.306 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.771 -1.756 7.572 1.00 0.00 H new ATOM 1864 N VAL A 114 1.261 -2.596 6.768 1.00 0.00 N ATOM 1865 CA VAL A 114 2.612 -2.043 6.749 1.00 0.00 C ATOM 1866 C VAL A 114 2.581 -0.521 6.789 1.00 0.00 C ATOM 1867 O VAL A 114 1.742 0.111 6.142 1.00 0.00 O ATOM 1868 CB VAL A 114 3.402 -2.481 5.498 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.834 -1.969 5.562 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.383 -3.992 5.353 1.00 0.00 C ATOM 0 H VAL A 114 0.695 -2.351 5.956 1.00 0.00 H new ATOM 0 HA VAL A 114 3.111 -2.431 7.637 1.00 0.00 H new ATOM 0 HB VAL A 114 2.920 -2.047 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.375 -2.288 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.829 -0.880 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.325 -2.371 6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.946 -4.279 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.837 -4.448 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.353 -4.335 5.257 1.00 0.00 H new ATOM 1880 N GLU A 115 3.509 0.061 7.544 1.00 0.00 N ATOM 1881 CA GLU A 115 3.605 1.508 7.663 1.00 0.00 C ATOM 1882 C GLU A 115 5.053 1.966 7.502 1.00 0.00 C ATOM 1883 O GLU A 115 5.888 1.745 8.381 1.00 0.00 O ATOM 1884 CB GLU A 115 3.056 1.972 9.015 1.00 0.00 C ATOM 1885 CG GLU A 115 1.698 1.377 9.363 1.00 0.00 C ATOM 1886 CD GLU A 115 1.232 1.756 10.755 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.771 1.200 11.734 1.00 0.00 O ATOM 1888 OE2 GLU A 115 0.329 2.610 10.865 1.00 0.00 O ATOM 0 H GLU A 115 4.206 -0.452 8.083 1.00 0.00 H new ATOM 0 HA GLU A 115 3.007 1.955 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.769 1.708 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.976 3.059 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.961 1.713 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.751 0.291 9.285 1.00 0.00 H new ATOM 1895 N HIS A 116 5.342 2.605 6.370 1.00 0.00 N ATOM 1896 CA HIS A 116 6.688 3.098 6.085 1.00 0.00 C ATOM 1897 C HIS A 116 6.713 4.624 6.052 1.00 0.00 C ATOM 1898 O HIS A 116 6.029 5.247 5.237 1.00 0.00 O ATOM 1899 CB HIS A 116 7.196 2.535 4.754 1.00 0.00 C ATOM 1900 CG HIS A 116 8.247 1.480 4.912 1.00 0.00 C ATOM 1901 ND1 HIS A 116 9.300 1.589 5.797 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.400 0.285 4.295 1.00 0.00 C ATOM 1903 CE1 HIS A 116 10.053 0.507 5.718 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.529 -0.301 4.814 1.00 0.00 N ATOM 0 H HIS A 116 4.661 2.794 5.634 1.00 0.00 H new ATOM 0 HA HIS A 116 7.347 2.759 6.885 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.355 2.118 4.201 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.599 3.351 4.154 1.00 0.00 H new ATOM 0 HD1 HIS A 116 9.470 2.382 6.416 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.754 -0.131 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 116 10.946 0.315 6.295 1.00 0.00 H new ATOM 1913 N VAL A 117 7.502 5.216 6.947 1.00 0.00 N ATOM 1914 CA VAL A 117 7.618 6.672 7.031 1.00 0.00 C ATOM 1915 C VAL A 117 8.730 7.205 6.129 1.00 0.00 C ATOM 1916 O VAL A 117 9.768 6.564 5.958 1.00 0.00 O ATOM 1917 CB VAL A 117 7.883 7.136 8.479 1.00 0.00 C ATOM 1918 CG1 VAL A 117 6.700 6.797 9.376 1.00 0.00 C ATOM 1919 CG2 VAL A 117 9.168 6.520 9.022 1.00 0.00 C ATOM 0 H VAL A 117 8.071 4.710 7.625 1.00 0.00 H new ATOM 0 HA VAL A 117 6.663 7.074 6.693 1.00 0.00 H new ATOM 0 HB VAL A 117 8.007 8.219 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.906 7.132 10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.806 7.297 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.540 5.719 9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.332 6.863 10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 117 9.083 5.433 9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.009 6.823 8.398 1.00 0.00 H new ATOM 1929 N ILE A 118 8.500 8.388 5.559 1.00 0.00 N ATOM 1930 CA ILE A 118 9.471 9.028 4.675 1.00 0.00 C ATOM 1931 C ILE A 118 9.625 10.511 5.026 1.00 0.00 C ATOM 1932 O ILE A 118 8.703 11.302 4.824 1.00 0.00 O ATOM 1933 CB ILE A 118 9.053 8.892 3.191 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.700 7.436 2.866 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.161 9.394 2.273 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.052 7.259 1.511 1.00 0.00 C ATOM 0 H ILE A 118 7.643 8.924 5.696 1.00 0.00 H new ATOM 0 HA ILE A 118 10.426 8.522 4.818 1.00 0.00 H new ATOM 0 HB ILE A 118 8.168 9.506 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.607 6.833 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.028 7.054 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.848 9.290 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.364 10.443 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.065 8.808 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.830 6.204 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.127 7.835 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.731 7.610 0.734 1.00 0.00 H new ATOM 1948 N GLN A 119 10.791 10.878 5.560 1.00 0.00 N ATOM 1949 CA GLN A 119 11.061 12.263 5.947 1.00 0.00 C ATOM 1950 C GLN A 119 12.375 12.759 5.343 1.00 0.00 C ATOM 1951 O GLN A 119 13.457 12.375 5.794 1.00 0.00 O ATOM 1952 CB GLN A 119 11.114 12.380 7.473 1.00 0.00 C ATOM 1953 CG GLN A 119 9.767 12.686 8.113 1.00 0.00 C ATOM 1954 CD GLN A 119 9.267 11.556 8.995 1.00 0.00 C ATOM 1955 OE1 GLN A 119 8.224 10.960 8.725 1.00 0.00 O ATOM 1956 NE2 GLN A 119 10.007 11.258 10.057 1.00 0.00 N ATOM 0 H GLN A 119 11.563 10.235 5.734 1.00 0.00 H new ATOM 0 HA GLN A 119 10.252 12.885 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.499 11.448 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.821 13.164 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 119 9.850 13.596 8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.034 12.882 7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.865 11.778 10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.718 10.509 10.686 1.00 0.00 H new ATOM 1965 N ILE A 120 12.277 13.617 4.325 1.00 0.00 N ATOM 1966 CA ILE A 120 13.466 14.169 3.669 1.00 0.00 C ATOM 1967 C ILE A 120 13.321 15.675 3.437 1.00 0.00 C ATOM 1968 O ILE A 120 13.322 16.144 2.298 1.00 0.00 O ATOM 1969 CB ILE A 120 13.746 13.471 2.316 1.00 0.00 C ATOM 1970 CG1 ILE A 120 13.688 11.948 2.469 1.00 0.00 C ATOM 1971 CG2 ILE A 120 15.099 13.901 1.759 1.00 0.00 C ATOM 1972 CD1 ILE A 120 14.824 11.373 3.291 1.00 0.00 C ATOM 0 H ILE A 120 11.392 13.944 3.938 1.00 0.00 H new ATOM 0 HA ILE A 120 14.306 13.988 4.339 1.00 0.00 H new ATOM 0 HB ILE A 120 12.972 13.774 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.741 11.675 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.701 11.492 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 120 15.277 13.399 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.103 14.980 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 120 15.885 13.631 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 120 14.715 10.290 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 120 15.775 11.615 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.800 11.800 4.294 1.00 0.00 H new ATOM 1984 N PRO A 121 13.188 16.459 4.524 1.00 0.00 N ATOM 1985 CA PRO A 121 13.038 17.916 4.428 1.00 0.00 C ATOM 1986 C PRO A 121 14.331 18.621 4.010 1.00 0.00 C ATOM 1987 O PRO A 121 14.307 19.526 3.175 1.00 0.00 O ATOM 1988 CB PRO A 121 12.633 18.324 5.846 1.00 0.00 C ATOM 1989 CG PRO A 121 13.187 17.258 6.730 1.00 0.00 C ATOM 1990 CD PRO A 121 13.166 15.987 5.923 1.00 0.00 C ATOM 0 HA PRO A 121 12.313 18.198 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.038 19.302 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.549 18.392 5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.202 17.502 7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.589 17.154 7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.027 15.357 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.275 15.395 6.132 1.00 0.00 H new