USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 73 GLN : amide:sc= -0.516 K(o=-2.9,f=-4.1) USER MOD Set 1.2: A 76 GLN : amide:sc= -2.34 K(o=-2.9,f=-4!) USER MOD Set 2.1: A 56 GLN : amide:sc= -5.26! C(o=-4.8!,f=-13!) USER MOD Set 2.2: A 62 SER OG : rot 88:sc= 0.414 USER MOD Set 3.1: A 25 ASN : amide:sc= -1.81! C(o=-1.9!,f=-3.7!) USER MOD Set 3.2: A 86 ASN : amide:sc= -0.128 K(o=-1.9,f=-3.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 23 HIS : no HE2:sc= -5.38! C(o=-5.4!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= -2.15! (180deg=-6.17!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -40:sc= -3.3! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 130:sc= -1.39! USER MOD Single : A 43 THR OG1 : rot 50:sc= -2.76! USER MOD Single : A 49 MET CE :methyl 147:sc= -0.642 (180deg=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 111:sc= -0.916 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 161:sc= -2.75! (180deg=-3.67!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0945 X(o=-0.094,f=-0.002) USER MOD Single : A 95 GLN : amide:sc= -0.0125 K(o=-0.012,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.306 -0.898 -1.124 1.00 0.00 C ATOM 4 O GLU A 21 3.428 -1.891 -1.841 1.00 0.00 O ATOM 5 CB GLU A 21 2.469 1.422 -1.647 1.00 0.00 C ATOM 6 CG GLU A 21 1.232 2.275 -1.935 1.00 0.00 C ATOM 7 CD GLU A 21 0.883 2.251 -3.424 1.00 0.00 C ATOM 8 OE1 GLU A 21 0.959 1.190 -4.062 1.00 0.00 O ATOM 9 OE2 GLU A 21 0.520 3.386 -3.918 1.00 0.00 O ATOM 0 HA GLU A 21 1.432 -0.400 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.053 1.880 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.107 1.390 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.387 1.905 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.412 3.302 -1.617 1.00 0.00 H new ATOM 17 N THR A 22 4.188 -0.518 -0.212 1.00 0.00 N ATOM 18 CA THR A 22 5.407 -1.277 0.012 1.00 0.00 C ATOM 19 C THR A 22 5.658 -1.453 1.511 1.00 0.00 C ATOM 20 O THR A 22 4.870 -0.988 2.335 1.00 0.00 O ATOM 21 CB THR A 22 6.549 -0.564 -0.715 1.00 0.00 C ATOM 22 OG1 THR A 22 7.519 -1.587 -0.925 1.00 0.00 O ATOM 23 CG2 THR A 22 7.265 0.453 0.175 1.00 0.00 C ATOM 0 H THR A 22 4.083 0.305 0.381 1.00 0.00 H new ATOM 0 HA THR A 22 5.324 -2.286 -0.393 1.00 0.00 H new ATOM 0 HB THR A 22 6.158 -0.060 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.294 -1.212 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.066 0.930 -0.389 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.554 1.210 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.685 -0.055 1.043 1.00 0.00 H new ATOM 31 N HIS A 23 6.757 -2.124 1.820 1.00 0.00 N ATOM 32 CA HIS A 23 7.121 -2.367 3.206 1.00 0.00 C ATOM 33 C HIS A 23 8.411 -1.613 3.537 1.00 0.00 C ATOM 34 O HIS A 23 9.474 -1.933 3.007 1.00 0.00 O ATOM 35 CB HIS A 23 7.223 -3.867 3.486 1.00 0.00 C ATOM 36 CG HIS A 23 7.467 -4.206 4.937 1.00 0.00 C ATOM 37 ND1 HIS A 23 7.300 -3.288 5.960 1.00 0.00 N ATOM 38 CD2 HIS A 23 7.867 -5.370 5.526 1.00 0.00 C ATOM 39 CE1 HIS A 23 7.590 -3.884 7.107 1.00 0.00 C ATOM 40 NE2 HIS A 23 7.942 -5.173 6.836 1.00 0.00 N ATOM 0 H HIS A 23 7.408 -2.507 1.135 1.00 0.00 H new ATOM 0 HA HIS A 23 6.339 -1.986 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.302 -4.350 3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.031 -4.284 2.885 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.004 -2.318 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.086 -6.295 5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.554 -3.429 8.086 1.00 0.00 H new ATOM 48 N ILE A 24 8.275 -0.628 4.412 1.00 0.00 N ATOM 49 CA ILE A 24 9.416 0.174 4.820 1.00 0.00 C ATOM 50 C ILE A 24 9.190 0.689 6.242 1.00 0.00 C ATOM 51 O ILE A 24 8.165 0.395 6.857 1.00 0.00 O ATOM 52 CB ILE A 24 9.684 1.282 3.800 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.946 2.567 4.180 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.338 0.820 2.383 1.00 0.00 C ATOM 55 CD1 ILE A 24 9.199 3.671 3.151 1.00 0.00 C ATOM 0 H ILE A 24 7.392 -0.367 4.850 1.00 0.00 H new ATOM 0 HA ILE A 24 10.321 -0.434 4.841 1.00 0.00 H new ATOM 0 HB ILE A 24 10.750 1.507 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.876 2.369 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.274 2.901 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.538 1.627 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.946 -0.047 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.283 0.550 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.663 4.573 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.267 3.884 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.848 3.344 2.172 1.00 0.00 H new ATOM 67 N ASN A 25 10.163 1.447 6.725 1.00 0.00 N ATOM 68 CA ASN A 25 10.083 2.006 8.064 1.00 0.00 C ATOM 69 C ASN A 25 9.601 3.456 7.979 1.00 0.00 C ATOM 70 O ASN A 25 9.733 4.097 6.938 1.00 0.00 O ATOM 71 CB ASN A 25 11.452 2.002 8.746 1.00 0.00 C ATOM 72 CG ASN A 25 12.389 3.025 8.100 1.00 0.00 C ATOM 73 OD1 ASN A 25 12.114 3.581 7.050 1.00 0.00 O ATOM 74 ND2 ASN A 25 13.508 3.241 8.785 1.00 0.00 N ATOM 0 H ASN A 25 11.012 1.687 6.213 1.00 0.00 H new ATOM 0 HA ASN A 25 9.390 1.395 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.335 2.229 9.806 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.893 1.007 8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.198 3.906 8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.676 2.741 9.658 1.00 0.00 H new ATOM 81 N LEU A 26 9.053 3.929 9.089 1.00 0.00 N ATOM 82 CA LEU A 26 8.552 5.292 9.153 1.00 0.00 C ATOM 83 C LEU A 26 9.087 5.969 10.416 1.00 0.00 C ATOM 84 O LEU A 26 9.182 5.340 11.469 1.00 0.00 O ATOM 85 CB LEU A 26 7.025 5.306 9.047 1.00 0.00 C ATOM 86 CG LEU A 26 6.314 6.455 9.766 1.00 0.00 C ATOM 87 CD1 LEU A 26 5.366 7.191 8.817 1.00 0.00 C ATOM 88 CD2 LEU A 26 5.595 5.955 11.021 1.00 0.00 C ATOM 0 H LEU A 26 8.945 3.393 9.950 1.00 0.00 H new ATOM 0 HA LEU A 26 8.913 5.871 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.754 5.341 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.644 4.365 9.443 1.00 0.00 H new ATOM 0 HG LEU A 26 7.067 7.173 10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.873 8.003 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.933 7.599 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.615 6.496 8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.098 6.791 11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.854 5.206 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.320 5.511 11.703 1.00 0.00 H new ATOM 100 N LYS A 27 9.423 7.242 10.269 1.00 0.00 N ATOM 101 CA LYS A 27 9.947 8.011 11.385 1.00 0.00 C ATOM 102 C LYS A 27 9.271 9.383 11.415 1.00 0.00 C ATOM 103 O LYS A 27 9.444 10.184 10.497 1.00 0.00 O ATOM 104 CB LYS A 27 11.474 8.079 11.320 1.00 0.00 C ATOM 105 CG LYS A 27 12.104 7.459 12.569 1.00 0.00 C ATOM 106 CD LYS A 27 12.328 5.957 12.383 1.00 0.00 C ATOM 107 CE LYS A 27 13.761 5.567 12.748 1.00 0.00 C ATOM 108 NZ LYS A 27 13.764 4.443 13.711 1.00 0.00 N ATOM 0 H LYS A 27 9.343 7.760 9.394 1.00 0.00 H new ATOM 0 HA LYS A 27 9.713 7.519 12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.827 7.555 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.792 9.117 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.054 7.948 12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.457 7.630 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.626 5.401 13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.124 5.681 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.307 5.284 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.279 6.424 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.504 3.762 13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.953 4.806 14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.837 3.971 13.696 1.00 0.00 H new ATOM 121 N VAL A 28 8.516 9.613 12.479 1.00 0.00 N ATOM 122 CA VAL A 28 7.814 10.875 12.640 1.00 0.00 C ATOM 123 C VAL A 28 8.561 11.744 13.655 1.00 0.00 C ATOM 124 O VAL A 28 8.798 11.319 14.785 1.00 0.00 O ATOM 125 CB VAL A 28 6.358 10.617 13.031 1.00 0.00 C ATOM 126 CG1 VAL A 28 5.867 9.283 12.467 1.00 0.00 C ATOM 127 CG2 VAL A 28 6.180 10.670 14.549 1.00 0.00 C ATOM 0 H VAL A 28 8.375 8.947 13.238 1.00 0.00 H new ATOM 0 HA VAL A 28 7.792 11.423 11.698 1.00 0.00 H new ATOM 0 HB VAL A 28 5.749 11.409 12.595 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.829 9.124 12.760 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.939 9.299 11.379 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.483 8.473 12.859 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.136 10.483 14.800 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.807 9.910 15.016 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.471 11.655 14.915 1.00 0.00 H new ATOM 137 N SER A 29 8.910 12.944 13.215 1.00 0.00 N ATOM 138 CA SER A 29 9.625 13.875 14.071 1.00 0.00 C ATOM 139 C SER A 29 8.703 15.027 14.475 1.00 0.00 C ATOM 140 O SER A 29 7.855 15.452 13.692 1.00 0.00 O ATOM 141 CB SER A 29 10.875 14.416 13.374 1.00 0.00 C ATOM 142 OG SER A 29 11.546 13.407 12.622 1.00 0.00 O ATOM 0 H SER A 29 8.711 13.293 12.277 1.00 0.00 H new ATOM 0 HA SER A 29 9.944 13.341 14.966 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.595 15.236 12.712 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.557 14.827 14.119 1.00 0.00 H new ATOM 0 HG SER A 29 12.337 13.792 12.191 1.00 0.00 H new ATOM 148 N ASP A 30 8.901 15.500 15.697 1.00 0.00 N ATOM 149 CA ASP A 30 8.098 16.595 16.215 1.00 0.00 C ATOM 150 C ASP A 30 8.832 17.251 17.385 1.00 0.00 C ATOM 151 O ASP A 30 9.687 16.629 18.013 1.00 0.00 O ATOM 152 CB ASP A 30 6.746 16.092 16.726 1.00 0.00 C ATOM 153 CG ASP A 30 6.040 15.091 15.810 1.00 0.00 C ATOM 154 OD1 ASP A 30 4.947 15.362 15.290 1.00 0.00 O ATOM 155 OD2 ASP A 30 6.665 13.977 15.635 1.00 0.00 O ATOM 0 H ASP A 30 9.606 15.145 16.343 1.00 0.00 H new ATOM 0 HA ASP A 30 7.935 17.307 15.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.893 15.628 17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.090 16.949 16.877 1.00 0.00 H new ATOM 161 N GLY A 31 8.471 18.500 17.644 1.00 0.00 N ATOM 162 CA GLY A 31 9.085 19.247 18.728 1.00 0.00 C ATOM 163 C GLY A 31 9.594 18.307 19.823 1.00 0.00 C ATOM 164 O GLY A 31 10.800 18.187 20.031 1.00 0.00 O ATOM 0 H GLY A 31 7.761 19.013 17.121 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.912 19.842 18.341 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.361 19.944 19.150 1.00 0.00 H new ATOM 168 N SER A 32 8.649 17.664 20.493 1.00 0.00 N ATOM 169 CA SER A 32 8.986 16.738 21.561 1.00 0.00 C ATOM 170 C SER A 32 8.425 15.350 21.247 1.00 0.00 C ATOM 171 O SER A 32 8.655 14.400 21.993 1.00 0.00 O ATOM 172 CB SER A 32 8.455 17.234 22.907 1.00 0.00 C ATOM 173 OG SER A 32 9.185 16.688 24.003 1.00 0.00 O ATOM 0 H SER A 32 7.650 17.766 20.317 1.00 0.00 H new ATOM 0 HA SER A 32 10.072 16.676 21.630 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.511 18.322 22.940 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.403 16.966 23.003 1.00 0.00 H new ATOM 0 HG SER A 32 8.817 17.030 24.844 1.00 0.00 H new ATOM 179 N SER A 33 7.699 15.277 20.141 1.00 0.00 N ATOM 180 CA SER A 33 7.103 14.020 19.719 1.00 0.00 C ATOM 181 C SER A 33 7.988 13.349 18.666 1.00 0.00 C ATOM 182 O SER A 33 8.071 13.816 17.531 1.00 0.00 O ATOM 183 CB SER A 33 5.693 14.238 19.167 1.00 0.00 C ATOM 184 OG SER A 33 5.518 13.624 17.892 1.00 0.00 O ATOM 0 H SER A 33 7.510 16.067 19.524 1.00 0.00 H new ATOM 0 HA SER A 33 7.027 13.368 20.589 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.963 13.833 19.868 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.497 15.307 19.085 1.00 0.00 H new ATOM 0 HG SER A 33 6.326 13.754 17.352 1.00 0.00 H new ATOM 190 N GLU A 34 8.626 12.264 19.081 1.00 0.00 N ATOM 191 CA GLU A 34 9.501 11.524 18.188 1.00 0.00 C ATOM 192 C GLU A 34 9.185 10.029 18.254 1.00 0.00 C ATOM 193 O GLU A 34 9.450 9.379 19.264 1.00 0.00 O ATOM 194 CB GLU A 34 10.971 11.789 18.517 1.00 0.00 C ATOM 195 CG GLU A 34 11.248 11.569 20.005 1.00 0.00 C ATOM 196 CD GLU A 34 11.800 12.840 20.654 1.00 0.00 C ATOM 197 OE1 GLU A 34 11.144 13.423 21.530 1.00 0.00 O ATOM 198 OE2 GLU A 34 12.954 13.218 20.219 1.00 0.00 O ATOM 0 H GLU A 34 8.554 11.880 20.023 1.00 0.00 H new ATOM 0 HA GLU A 34 9.323 11.868 17.169 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.605 11.129 17.924 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.230 12.812 18.242 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.329 11.269 20.509 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.961 10.754 20.129 1.00 0.00 H new ATOM 206 N ILE A 35 8.623 9.526 17.164 1.00 0.00 N ATOM 207 CA ILE A 35 8.269 8.119 17.086 1.00 0.00 C ATOM 208 C ILE A 35 9.021 7.472 15.922 1.00 0.00 C ATOM 209 O ILE A 35 9.184 8.083 14.867 1.00 0.00 O ATOM 210 CB ILE A 35 6.750 7.953 17.005 1.00 0.00 C ATOM 211 CG1 ILE A 35 6.259 6.903 18.004 1.00 0.00 C ATOM 212 CG2 ILE A 35 6.309 7.635 15.575 1.00 0.00 C ATOM 213 CD1 ILE A 35 7.028 5.591 17.842 1.00 0.00 C ATOM 0 H ILE A 35 8.404 10.068 16.328 1.00 0.00 H new ATOM 0 HA ILE A 35 8.576 7.598 17.993 1.00 0.00 H new ATOM 0 HB ILE A 35 6.287 8.901 17.281 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.382 7.277 19.020 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.194 6.725 17.856 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.225 7.522 15.545 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.607 8.448 14.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.780 6.708 15.247 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.660 4.862 18.564 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.884 5.207 16.832 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.090 5.768 18.015 1.00 0.00 H new ATOM 225 N PHE A 36 9.460 6.243 16.153 1.00 0.00 N ATOM 226 CA PHE A 36 10.192 5.506 15.137 1.00 0.00 C ATOM 227 C PHE A 36 9.830 4.020 15.170 1.00 0.00 C ATOM 228 O PHE A 36 10.069 3.342 16.168 1.00 0.00 O ATOM 229 CB PHE A 36 11.680 5.664 15.454 1.00 0.00 C ATOM 230 CG PHE A 36 11.963 6.223 16.850 1.00 0.00 C ATOM 231 CD1 PHE A 36 12.112 5.376 17.904 1.00 0.00 C ATOM 232 CD2 PHE A 36 12.065 7.566 17.037 1.00 0.00 C ATOM 233 CE1 PHE A 36 12.375 5.894 19.199 1.00 0.00 C ATOM 234 CE2 PHE A 36 12.328 8.084 18.333 1.00 0.00 C ATOM 235 CZ PHE A 36 12.477 7.237 19.386 1.00 0.00 C ATOM 0 H PHE A 36 9.323 5.739 17.029 1.00 0.00 H new ATOM 0 HA PHE A 36 9.944 5.891 14.148 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.167 4.694 15.357 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.131 6.323 14.712 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.030 4.309 17.755 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.946 8.238 16.200 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.494 5.222 20.036 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.410 9.151 18.482 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.676 7.631 20.372 1.00 0.00 H new ATOM 245 N PHE A 37 9.260 3.558 14.067 1.00 0.00 N ATOM 246 CA PHE A 37 8.863 2.164 13.958 1.00 0.00 C ATOM 247 C PHE A 37 8.723 1.747 12.492 1.00 0.00 C ATOM 248 O PHE A 37 8.605 2.597 11.610 1.00 0.00 O ATOM 249 CB PHE A 37 7.503 2.031 14.645 1.00 0.00 C ATOM 250 CG PHE A 37 7.588 1.811 16.157 1.00 0.00 C ATOM 251 CD1 PHE A 37 8.472 0.910 16.664 1.00 0.00 C ATOM 252 CD2 PHE A 37 6.781 2.517 16.994 1.00 0.00 C ATOM 253 CE1 PHE A 37 8.552 0.706 18.067 1.00 0.00 C ATOM 254 CE2 PHE A 37 6.861 2.312 18.397 1.00 0.00 C ATOM 255 CZ PHE A 37 7.744 1.412 18.904 1.00 0.00 C ATOM 0 H PHE A 37 9.064 4.124 13.241 1.00 0.00 H new ATOM 0 HA PHE A 37 9.616 1.526 14.420 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.920 2.932 14.451 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.961 1.198 14.197 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.113 0.350 15.999 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.080 3.233 16.592 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.254 -0.009 18.470 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.220 2.872 19.062 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.804 1.257 19.971 1.00 0.00 H new ATOM 265 N LYS A 38 8.741 0.440 12.277 1.00 0.00 N ATOM 266 CA LYS A 38 8.618 -0.100 10.934 1.00 0.00 C ATOM 267 C LYS A 38 7.148 -0.411 10.647 1.00 0.00 C ATOM 268 O LYS A 38 6.422 -0.865 11.531 1.00 0.00 O ATOM 269 CB LYS A 38 9.548 -1.301 10.752 1.00 0.00 C ATOM 270 CG LYS A 38 11.000 -0.849 10.582 1.00 0.00 C ATOM 271 CD LYS A 38 11.687 -1.624 9.456 1.00 0.00 C ATOM 272 CE LYS A 38 13.189 -1.333 9.428 1.00 0.00 C ATOM 273 NZ LYS A 38 13.761 -1.688 8.110 1.00 0.00 N ATOM 0 H LYS A 38 8.839 -0.261 13.011 1.00 0.00 H new ATOM 0 HA LYS A 38 8.938 0.636 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.468 -1.962 11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.238 -1.877 9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.029 0.219 10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.543 -0.999 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.522 -2.693 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.242 -1.352 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.365 -0.277 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.690 -1.900 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.781 -1.484 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.610 -2.701 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.295 -1.129 7.367 1.00 0.00 H new ATOM 286 N ILE A 39 6.752 -0.156 9.409 1.00 0.00 N ATOM 287 CA ILE A 39 5.382 -0.403 8.995 1.00 0.00 C ATOM 288 C ILE A 39 5.381 -1.049 7.608 1.00 0.00 C ATOM 289 O ILE A 39 6.403 -1.059 6.923 1.00 0.00 O ATOM 290 CB ILE A 39 4.557 0.883 9.074 1.00 0.00 C ATOM 291 CG1 ILE A 39 4.492 1.405 10.510 1.00 0.00 C ATOM 292 CG2 ILE A 39 3.165 0.680 8.473 1.00 0.00 C ATOM 293 CD1 ILE A 39 5.265 2.718 10.653 1.00 0.00 C ATOM 0 H ILE A 39 7.357 0.220 8.679 1.00 0.00 H new ATOM 0 HA ILE A 39 4.900 -1.105 9.675 1.00 0.00 H new ATOM 0 HB ILE A 39 5.056 1.646 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.452 1.558 10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.905 0.660 11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.600 1.609 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.259 0.390 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.643 -0.104 9.021 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.202 3.067 11.684 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.310 2.556 10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.834 3.468 9.989 1.00 0.00 H new ATOM 305 N LYS A 40 4.223 -1.574 7.235 1.00 0.00 N ATOM 306 CA LYS A 40 4.077 -2.221 5.942 1.00 0.00 C ATOM 307 C LYS A 40 3.382 -1.262 4.973 1.00 0.00 C ATOM 308 O LYS A 40 2.317 -1.574 4.442 1.00 0.00 O ATOM 309 CB LYS A 40 3.363 -3.566 6.094 1.00 0.00 C ATOM 310 CG LYS A 40 3.829 -4.557 5.025 1.00 0.00 C ATOM 311 CD LYS A 40 4.842 -5.549 5.600 1.00 0.00 C ATOM 312 CE LYS A 40 4.143 -6.804 6.126 1.00 0.00 C ATOM 313 NZ LYS A 40 5.048 -7.972 6.050 1.00 0.00 N ATOM 0 H LYS A 40 3.377 -1.565 7.805 1.00 0.00 H new ATOM 0 HA LYS A 40 5.054 -2.451 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.558 -3.976 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.286 -3.421 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.971 -5.098 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.278 -4.015 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.563 -5.825 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.402 -5.076 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.829 -6.647 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.242 -6.996 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.558 -8.815 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.327 -8.131 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.896 -7.792 6.625 1.00 0.00 H new ATOM 326 N LYS A 41 4.013 -0.115 4.771 1.00 0.00 N ATOM 327 CA LYS A 41 3.469 0.891 3.875 1.00 0.00 C ATOM 328 C LYS A 41 4.424 2.085 3.816 1.00 0.00 C ATOM 329 O LYS A 41 4.834 2.609 4.851 1.00 0.00 O ATOM 330 CB LYS A 41 2.044 1.264 4.290 1.00 0.00 C ATOM 331 CG LYS A 41 1.036 0.860 3.212 1.00 0.00 C ATOM 332 CD LYS A 41 -0.388 1.234 3.626 1.00 0.00 C ATOM 333 CE LYS A 41 -1.299 0.004 3.627 1.00 0.00 C ATOM 334 NZ LYS A 41 -1.753 -0.305 2.253 1.00 0.00 N ATOM 0 H LYS A 41 4.896 0.140 5.213 1.00 0.00 H new ATOM 0 HA LYS A 41 3.389 0.496 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.794 0.771 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.982 2.338 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.286 1.352 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.097 -0.214 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.376 1.683 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.784 1.984 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.765 -0.851 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.161 0.183 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.370 -1.142 2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.281 0.506 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.928 -0.496 1.650 1.00 0.00 H new ATOM 347 N THR A 42 4.751 2.481 2.594 1.00 0.00 N ATOM 348 CA THR A 42 5.650 3.603 2.386 1.00 0.00 C ATOM 349 C THR A 42 4.891 4.925 2.513 1.00 0.00 C ATOM 350 O THR A 42 5.399 5.884 3.091 1.00 0.00 O ATOM 351 CB THR A 42 6.329 3.419 1.027 1.00 0.00 C ATOM 352 OG1 THR A 42 6.754 4.732 0.672 1.00 0.00 O ATOM 353 CG2 THR A 42 5.339 3.037 -0.075 1.00 0.00 C ATOM 0 H THR A 42 4.409 2.044 1.738 1.00 0.00 H new ATOM 0 HA THR A 42 6.426 3.636 3.151 1.00 0.00 H new ATOM 0 HB THR A 42 7.098 2.651 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.698 4.711 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.872 2.919 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.849 2.099 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.589 3.821 -0.178 1.00 0.00 H new ATOM 361 N THR A 43 3.686 4.934 1.962 1.00 0.00 N ATOM 362 CA THR A 43 2.851 6.122 2.005 1.00 0.00 C ATOM 363 C THR A 43 3.044 6.861 3.331 1.00 0.00 C ATOM 364 O THR A 43 2.418 6.519 4.333 1.00 0.00 O ATOM 365 CB THR A 43 1.404 5.694 1.754 1.00 0.00 C ATOM 366 OG1 THR A 43 0.627 6.758 2.297 1.00 0.00 O ATOM 367 CG2 THR A 43 1.001 4.475 2.587 1.00 0.00 C ATOM 0 H THR A 43 3.268 4.136 1.483 1.00 0.00 H new ATOM 0 HA THR A 43 3.134 6.832 1.228 1.00 0.00 H new ATOM 0 HB THR A 43 1.271 5.471 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.959 7.614 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.035 4.213 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.648 3.634 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.103 4.709 3.647 1.00 0.00 H new ATOM 375 N PRO A 44 3.937 7.886 3.294 1.00 0.00 N ATOM 376 CA PRO A 44 4.220 8.676 4.480 1.00 0.00 C ATOM 377 C PRO A 44 3.073 9.641 4.783 1.00 0.00 C ATOM 378 O PRO A 44 2.475 9.582 5.856 1.00 0.00 O ATOM 379 CB PRO A 44 5.529 9.386 4.176 1.00 0.00 C ATOM 380 CG PRO A 44 5.690 9.335 2.665 1.00 0.00 C ATOM 381 CD PRO A 44 4.697 8.319 2.125 1.00 0.00 C ATOM 0 HA PRO A 44 4.312 8.067 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.506 10.416 4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.365 8.895 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.507 10.317 2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.708 9.052 2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.046 8.763 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.207 7.480 1.651 1.00 0.00 H new ATOM 389 N LEU A 45 2.799 10.507 3.818 1.00 0.00 N ATOM 390 CA LEU A 45 1.734 11.483 3.969 1.00 0.00 C ATOM 391 C LEU A 45 0.569 10.847 4.731 1.00 0.00 C ATOM 392 O LEU A 45 0.142 11.364 5.762 1.00 0.00 O ATOM 393 CB LEU A 45 1.337 12.057 2.607 1.00 0.00 C ATOM 394 CG LEU A 45 0.784 11.055 1.592 1.00 0.00 C ATOM 395 CD1 LEU A 45 0.293 11.767 0.330 1.00 0.00 C ATOM 396 CD2 LEU A 45 1.815 9.971 1.274 1.00 0.00 C ATOM 0 H LEU A 45 3.296 10.553 2.929 1.00 0.00 H new ATOM 0 HA LEU A 45 2.077 12.332 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.588 12.833 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.210 12.541 2.171 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.078 10.558 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.095 11.032 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.497 12.470 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.121 12.307 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.396 9.272 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.711 10.432 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.074 9.436 2.188 1.00 0.00 H new ATOM 408 N ARG A 46 0.088 9.736 4.193 1.00 0.00 N ATOM 409 CA ARG A 46 -1.018 9.024 4.810 1.00 0.00 C ATOM 410 C ARG A 46 -0.574 8.394 6.131 1.00 0.00 C ATOM 411 O ARG A 46 -1.331 8.377 7.100 1.00 0.00 O ATOM 412 CB ARG A 46 -1.553 7.929 3.885 1.00 0.00 C ATOM 413 CG ARG A 46 -1.819 8.478 2.482 1.00 0.00 C ATOM 414 CD ARG A 46 -3.211 8.074 1.990 1.00 0.00 C ATOM 415 NE ARG A 46 -3.757 9.123 1.100 1.00 0.00 N ATOM 416 CZ ARG A 46 -3.556 9.163 -0.234 1.00 0.00 C ATOM 417 NH1 ARG A 46 -2.817 8.212 -0.845 1.00 0.00 N ATOM 418 NH2 ARG A 46 -4.092 10.146 -0.933 1.00 0.00 N ATOM 0 H ARG A 46 0.444 9.311 3.337 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.813 9.746 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.834 7.112 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.473 7.516 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.734 9.565 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.063 8.104 1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.156 7.125 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.877 7.924 2.840 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.320 9.862 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.406 7.456 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.670 8.250 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.648 10.861 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.950 10.191 -1.942 1.00 0.00 H new ATOM 431 N ARG A 47 0.652 7.892 6.128 1.00 0.00 N ATOM 432 CA ARG A 47 1.206 7.263 7.314 1.00 0.00 C ATOM 433 C ARG A 47 1.344 8.286 8.443 1.00 0.00 C ATOM 434 O ARG A 47 0.529 8.313 9.364 1.00 0.00 O ATOM 435 CB ARG A 47 2.577 6.648 7.023 1.00 0.00 C ATOM 436 CG ARG A 47 2.440 5.195 6.563 1.00 0.00 C ATOM 437 CD ARG A 47 2.182 4.267 7.752 1.00 0.00 C ATOM 438 NE ARG A 47 0.777 3.800 7.734 1.00 0.00 N ATOM 439 CZ ARG A 47 0.139 3.279 8.803 1.00 0.00 C ATOM 440 NH1 ARG A 47 0.777 3.153 9.987 1.00 0.00 N ATOM 441 NH2 ARG A 47 -1.117 2.894 8.674 1.00 0.00 N ATOM 0 H ARG A 47 1.277 7.908 5.322 1.00 0.00 H new ATOM 0 HA ARG A 47 0.522 6.471 7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.085 7.230 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.197 6.693 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.622 5.112 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.348 4.886 6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.858 3.413 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.388 4.792 8.685 1.00 0.00 H new ATOM 0 HE ARG A 47 0.259 3.877 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.748 3.453 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.288 2.758 10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.591 2.992 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.614 2.498 9.472 1.00 0.00 H new ATOM 454 N LEU A 48 2.380 9.104 8.335 1.00 0.00 N ATOM 455 CA LEU A 48 2.635 10.127 9.335 1.00 0.00 C ATOM 456 C LEU A 48 1.308 10.759 9.760 1.00 0.00 C ATOM 457 O LEU A 48 1.116 11.076 10.933 1.00 0.00 O ATOM 458 CB LEU A 48 3.660 11.138 8.818 1.00 0.00 C ATOM 459 CG LEU A 48 4.715 11.599 9.826 1.00 0.00 C ATOM 460 CD1 LEU A 48 6.126 11.290 9.323 1.00 0.00 C ATOM 461 CD2 LEU A 48 4.539 13.080 10.166 1.00 0.00 C ATOM 0 H LEU A 48 3.054 9.079 7.569 1.00 0.00 H new ATOM 0 HA LEU A 48 3.079 9.686 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.172 10.701 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.124 12.015 8.456 1.00 0.00 H new ATOM 0 HG LEU A 48 4.573 11.038 10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.856 11.628 10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.232 10.215 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.297 11.806 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.301 13.382 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.639 13.676 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.551 13.239 10.598 1.00 0.00 H new ATOM 473 N MET A 49 0.428 10.923 8.784 1.00 0.00 N ATOM 474 CA MET A 49 -0.875 11.512 9.043 1.00 0.00 C ATOM 475 C MET A 49 -1.502 10.921 10.308 1.00 0.00 C ATOM 476 O MET A 49 -2.068 11.648 11.122 1.00 0.00 O ATOM 477 CB MET A 49 -1.797 11.257 7.849 1.00 0.00 C ATOM 478 CG MET A 49 -2.128 12.563 7.124 1.00 0.00 C ATOM 479 SD MET A 49 -3.896 12.735 6.950 1.00 0.00 S ATOM 480 CE MET A 49 -4.403 12.434 8.635 1.00 0.00 C ATOM 0 H MET A 49 0.591 10.658 7.813 1.00 0.00 H new ATOM 0 HA MET A 49 -0.746 12.584 9.191 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.319 10.564 7.157 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.717 10.783 8.190 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.725 13.409 7.680 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.655 12.573 6.142 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.288 13.029 8.861 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.635 11.377 8.762 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.596 12.712 9.313 1.00 0.00 H new ATOM 490 N GLU A 50 -1.381 9.607 10.432 1.00 0.00 N ATOM 491 CA GLU A 50 -1.929 8.911 11.583 1.00 0.00 C ATOM 492 C GLU A 50 -0.823 8.609 12.596 1.00 0.00 C ATOM 493 O GLU A 50 -1.028 8.743 13.802 1.00 0.00 O ATOM 494 CB GLU A 50 -2.647 7.628 11.157 1.00 0.00 C ATOM 495 CG GLU A 50 -4.096 7.623 11.646 1.00 0.00 C ATOM 496 CD GLU A 50 -5.071 7.754 10.474 1.00 0.00 C ATOM 497 OE1 GLU A 50 -5.633 8.836 10.252 1.00 0.00 O ATOM 498 OE2 GLU A 50 -5.235 6.679 9.779 1.00 0.00 O ATOM 0 H GLU A 50 -0.911 9.007 9.754 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.665 9.559 12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.626 7.538 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.121 6.762 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.297 6.700 12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.250 8.445 12.346 1.00 0.00 H new ATOM 506 N ALA A 51 0.325 8.208 12.070 1.00 0.00 N ATOM 507 CA ALA A 51 1.463 7.886 12.914 1.00 0.00 C ATOM 508 C ALA A 51 1.741 9.059 13.857 1.00 0.00 C ATOM 509 O ALA A 51 1.551 8.946 15.067 1.00 0.00 O ATOM 510 CB ALA A 51 2.669 7.545 12.037 1.00 0.00 C ATOM 0 H ALA A 51 0.492 8.099 11.070 1.00 0.00 H new ATOM 0 HA ALA A 51 1.250 7.012 13.529 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.523 7.303 12.670 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.430 6.688 11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.915 8.400 11.408 1.00 0.00 H new ATOM 516 N PHE A 52 2.187 10.158 13.266 1.00 0.00 N ATOM 517 CA PHE A 52 2.493 11.350 14.038 1.00 0.00 C ATOM 518 C PHE A 52 1.286 11.790 14.869 1.00 0.00 C ATOM 519 O PHE A 52 1.438 12.487 15.872 1.00 0.00 O ATOM 520 CB PHE A 52 2.838 12.455 13.038 1.00 0.00 C ATOM 521 CG PHE A 52 2.191 13.805 13.354 1.00 0.00 C ATOM 522 CD1 PHE A 52 2.432 14.412 14.547 1.00 0.00 C ATOM 523 CD2 PHE A 52 1.376 14.399 12.441 1.00 0.00 C ATOM 524 CE1 PHE A 52 1.832 15.665 14.840 1.00 0.00 C ATOM 525 CE2 PHE A 52 0.776 15.652 12.734 1.00 0.00 C ATOM 526 CZ PHE A 52 1.016 16.258 13.927 1.00 0.00 C ATOM 0 H PHE A 52 2.344 10.248 12.262 1.00 0.00 H new ATOM 0 HA PHE A 52 3.317 11.148 14.722 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.920 12.580 13.010 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.528 12.139 12.042 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.080 13.941 15.271 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.185 13.917 11.493 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.023 16.147 15.787 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.129 16.124 12.009 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.559 17.211 14.150 1.00 0.00 H new ATOM 536 N ALA A 53 0.113 11.365 14.422 1.00 0.00 N ATOM 537 CA ALA A 53 -1.119 11.707 15.112 1.00 0.00 C ATOM 538 C ALA A 53 -1.424 10.637 16.163 1.00 0.00 C ATOM 539 O ALA A 53 -2.373 10.771 16.933 1.00 0.00 O ATOM 540 CB ALA A 53 -2.249 11.861 14.092 1.00 0.00 C ATOM 0 H ALA A 53 -0.010 10.787 13.591 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.016 12.660 15.632 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.174 12.118 14.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.997 12.652 13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.383 10.923 13.553 1.00 0.00 H new ATOM 546 N LYS A 54 -0.601 9.599 16.159 1.00 0.00 N ATOM 547 CA LYS A 54 -0.770 8.506 17.103 1.00 0.00 C ATOM 548 C LYS A 54 0.113 8.754 18.327 1.00 0.00 C ATOM 549 O LYS A 54 -0.151 8.223 19.405 1.00 0.00 O ATOM 550 CB LYS A 54 -0.510 7.163 16.419 1.00 0.00 C ATOM 551 CG LYS A 54 -1.713 6.735 15.576 1.00 0.00 C ATOM 552 CD LYS A 54 -1.270 5.903 14.370 1.00 0.00 C ATOM 553 CE LYS A 54 -2.034 4.579 14.307 1.00 0.00 C ATOM 554 NZ LYS A 54 -1.651 3.817 13.097 1.00 0.00 N ATOM 0 H LYS A 54 0.185 9.491 15.518 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.800 8.463 17.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.374 7.238 15.786 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.299 6.403 17.171 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.403 6.155 16.189 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.255 7.617 15.234 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.438 6.468 13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.200 5.707 14.432 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.823 3.988 15.198 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.107 4.771 14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.179 2.921 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.874 4.377 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.631 3.617 13.121 1.00 0.00 H new ATOM 567 N ARG A 55 1.143 9.562 18.121 1.00 0.00 N ATOM 568 CA ARG A 55 2.066 9.887 19.195 1.00 0.00 C ATOM 569 C ARG A 55 1.742 11.265 19.774 1.00 0.00 C ATOM 570 O ARG A 55 1.475 11.393 20.968 1.00 0.00 O ATOM 571 CB ARG A 55 3.513 9.877 18.699 1.00 0.00 C ATOM 572 CG ARG A 55 4.466 9.400 19.797 1.00 0.00 C ATOM 573 CD ARG A 55 4.906 10.566 20.685 1.00 0.00 C ATOM 574 NE ARG A 55 4.543 10.293 22.094 1.00 0.00 N ATOM 575 CZ ARG A 55 4.712 11.174 23.103 1.00 0.00 C ATOM 576 NH1 ARG A 55 5.240 12.393 22.867 1.00 0.00 N ATOM 577 NH2 ARG A 55 4.353 10.824 24.324 1.00 0.00 N ATOM 0 H ARG A 55 1.359 10.001 17.226 1.00 0.00 H new ATOM 0 HA ARG A 55 1.954 9.128 19.970 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.599 9.225 17.830 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.797 10.878 18.376 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.975 8.640 20.405 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.341 8.931 19.346 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.983 10.713 20.600 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.431 11.488 20.350 1.00 0.00 H new ATOM 0 HE ARG A 55 4.140 9.383 22.316 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.515 12.655 21.920 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.364 13.052 23.635 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.955 9.900 24.494 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.474 11.477 25.098 1.00 0.00 H new ATOM 590 N GLN A 56 1.777 12.262 18.902 1.00 0.00 N ATOM 591 CA GLN A 56 1.490 13.626 19.312 1.00 0.00 C ATOM 592 C GLN A 56 -0.002 13.924 19.157 1.00 0.00 C ATOM 593 O GLN A 56 -0.598 14.588 20.005 1.00 0.00 O ATOM 594 CB GLN A 56 2.335 14.625 18.520 1.00 0.00 C ATOM 595 CG GLN A 56 2.737 15.816 19.392 1.00 0.00 C ATOM 596 CD GLN A 56 1.580 16.252 20.293 1.00 0.00 C ATOM 597 OE1 GLN A 56 1.225 15.591 21.255 1.00 0.00 O ATOM 598 NE2 GLN A 56 1.013 17.398 19.928 1.00 0.00 N ATOM 0 H GLN A 56 2.000 12.152 17.913 1.00 0.00 H new ATOM 0 HA GLN A 56 1.753 13.732 20.364 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.229 14.130 18.140 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.773 14.977 17.655 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.598 15.549 20.004 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.043 16.648 18.758 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.360 17.901 19.111 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.231 17.774 20.465 1.00 0.00 H new ATOM 607 N GLY A 57 -0.564 13.420 18.068 1.00 0.00 N ATOM 608 CA GLY A 57 -1.976 13.625 17.791 1.00 0.00 C ATOM 609 C GLY A 57 -2.818 13.417 19.052 1.00 0.00 C ATOM 610 O GLY A 57 -3.910 13.969 19.171 1.00 0.00 O ATOM 0 H GLY A 57 -0.067 12.870 17.367 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.132 14.633 17.407 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.302 12.934 17.014 1.00 0.00 H new ATOM 614 N LYS A 58 -2.277 12.618 19.960 1.00 0.00 N ATOM 615 CA LYS A 58 -2.965 12.330 21.208 1.00 0.00 C ATOM 616 C LYS A 58 -3.273 13.643 21.930 1.00 0.00 C ATOM 617 O LYS A 58 -4.271 13.745 22.642 1.00 0.00 O ATOM 618 CB LYS A 58 -2.157 11.340 22.049 1.00 0.00 C ATOM 619 CG LYS A 58 -2.593 9.900 21.770 1.00 0.00 C ATOM 620 CD LYS A 58 -3.779 9.506 22.652 1.00 0.00 C ATOM 621 CE LYS A 58 -5.077 9.473 21.842 1.00 0.00 C ATOM 622 NZ LYS A 58 -5.501 8.076 21.599 1.00 0.00 N ATOM 0 H LYS A 58 -1.371 12.161 19.857 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.920 11.842 21.013 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.095 11.452 21.828 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.288 11.565 23.107 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.866 9.796 20.720 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.759 9.222 21.952 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.598 8.527 23.095 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.877 10.215 23.474 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.860 10.009 22.378 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.932 9.986 20.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.383 8.072 21.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.759 7.575 21.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.659 7.598 22.509 1.00 0.00 H new ATOM 635 N GLU A 59 -2.397 14.615 21.722 1.00 0.00 N ATOM 636 CA GLU A 59 -2.563 15.918 22.345 1.00 0.00 C ATOM 637 C GLU A 59 -3.278 16.875 21.390 1.00 0.00 C ATOM 638 O GLU A 59 -3.742 17.937 21.802 1.00 0.00 O ATOM 639 CB GLU A 59 -1.215 16.490 22.787 1.00 0.00 C ATOM 640 CG GLU A 59 -1.391 17.483 23.937 1.00 0.00 C ATOM 641 CD GLU A 59 -0.780 16.939 25.230 1.00 0.00 C ATOM 642 OE1 GLU A 59 0.424 17.117 25.469 1.00 0.00 O ATOM 643 OE2 GLU A 59 -1.603 16.313 26.001 1.00 0.00 O ATOM 0 H GLU A 59 -1.570 14.527 21.131 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.179 15.797 23.236 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.557 15.679 23.099 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.732 16.986 21.945 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.920 18.431 23.679 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.451 17.685 24.089 1.00 0.00 H new ATOM 651 N MET A 60 -3.346 16.465 20.132 1.00 0.00 N ATOM 652 CA MET A 60 -3.997 17.274 19.115 1.00 0.00 C ATOM 653 C MET A 60 -3.657 18.755 19.292 1.00 0.00 C ATOM 654 O MET A 60 -4.456 19.624 18.944 1.00 0.00 O ATOM 655 CB MET A 60 -5.512 17.083 19.204 1.00 0.00 C ATOM 656 CG MET A 60 -6.043 16.336 17.978 1.00 0.00 C ATOM 657 SD MET A 60 -6.031 17.412 16.555 1.00 0.00 S ATOM 658 CE MET A 60 -5.015 16.449 15.447 1.00 0.00 C ATOM 0 H MET A 60 -2.961 15.583 19.794 1.00 0.00 H new ATOM 0 HA MET A 60 -3.638 16.953 18.137 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.760 16.527 20.108 1.00 0.00 H new ATOM 0 HB3 MET A 60 -6.001 18.054 19.283 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.429 15.456 17.784 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.056 15.982 18.168 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.904 16.980 14.501 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.033 16.296 15.895 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.487 15.483 15.268 1.00 0.00 H new ATOM 668 N ASP A 61 -2.472 18.997 19.832 1.00 0.00 N ATOM 669 CA ASP A 61 -2.017 20.358 20.059 1.00 0.00 C ATOM 670 C ASP A 61 -1.115 20.790 18.901 1.00 0.00 C ATOM 671 O ASP A 61 -0.755 21.961 18.794 1.00 0.00 O ATOM 672 CB ASP A 61 -1.207 20.460 21.353 1.00 0.00 C ATOM 673 CG ASP A 61 -1.511 21.690 22.211 1.00 0.00 C ATOM 674 OD1 ASP A 61 -1.119 22.817 21.873 1.00 0.00 O ATOM 675 OD2 ASP A 61 -2.189 21.453 23.283 1.00 0.00 O ATOM 0 H ASP A 61 -1.813 18.273 20.119 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.896 20.999 20.132 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.389 19.566 21.949 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.147 20.465 21.101 1.00 0.00 H new ATOM 681 N SER A 62 -0.775 19.820 18.065 1.00 0.00 N ATOM 682 CA SER A 62 0.078 20.086 16.919 1.00 0.00 C ATOM 683 C SER A 62 -0.655 19.725 15.626 1.00 0.00 C ATOM 684 O SER A 62 -1.173 18.617 15.490 1.00 0.00 O ATOM 685 CB SER A 62 1.392 19.308 17.019 1.00 0.00 C ATOM 686 OG SER A 62 1.202 17.910 16.813 1.00 0.00 O ATOM 0 H SER A 62 -1.074 18.849 18.158 1.00 0.00 H new ATOM 0 HA SER A 62 0.316 21.150 16.909 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.097 19.691 16.281 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.837 19.473 18.000 1.00 0.00 H new ATOM 0 HG SER A 62 1.268 17.708 15.856 1.00 0.00 H new ATOM 692 N LEU A 63 -0.676 20.681 14.708 1.00 0.00 N ATOM 693 CA LEU A 63 -1.337 20.477 13.431 1.00 0.00 C ATOM 694 C LEU A 63 -0.542 21.186 12.332 1.00 0.00 C ATOM 695 O LEU A 63 -1.124 21.763 11.414 1.00 0.00 O ATOM 696 CB LEU A 63 -2.801 20.915 13.509 1.00 0.00 C ATOM 697 CG LEU A 63 -3.239 21.558 14.827 1.00 0.00 C ATOM 698 CD1 LEU A 63 -4.430 22.494 14.610 1.00 0.00 C ATOM 699 CD2 LEU A 63 -3.531 20.494 15.886 1.00 0.00 C ATOM 0 H LEU A 63 -0.246 21.599 14.824 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.358 19.417 13.178 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.992 21.622 12.702 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.430 20.044 13.325 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.415 22.166 15.201 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.722 22.938 15.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.150 23.283 13.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.268 21.928 14.202 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.840 20.978 16.812 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.329 19.840 15.534 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.632 19.904 16.067 1.00 0.00 H new ATOM 711 N ARG A 64 0.775 21.118 12.461 1.00 0.00 N ATOM 712 CA ARG A 64 1.655 21.745 11.490 1.00 0.00 C ATOM 713 C ARG A 64 2.543 20.694 10.822 1.00 0.00 C ATOM 714 O ARG A 64 3.531 20.250 11.404 1.00 0.00 O ATOM 715 CB ARG A 64 2.539 22.804 12.152 1.00 0.00 C ATOM 716 CG ARG A 64 3.434 23.494 11.120 1.00 0.00 C ATOM 717 CD ARG A 64 3.000 24.945 10.901 1.00 0.00 C ATOM 718 NE ARG A 64 4.067 25.692 10.198 1.00 0.00 N ATOM 719 CZ ARG A 64 5.217 26.095 10.779 1.00 0.00 C ATOM 720 NH1 ARG A 64 5.459 25.826 12.080 1.00 0.00 N ATOM 721 NH2 ARG A 64 6.102 26.756 10.056 1.00 0.00 N ATOM 0 H ARG A 64 1.254 20.638 13.223 1.00 0.00 H new ATOM 0 HA ARG A 64 1.030 22.228 10.739 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.914 23.545 12.650 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.156 22.339 12.921 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.470 23.467 11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.391 22.951 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.080 24.974 10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.785 25.417 11.859 1.00 0.00 H new ATOM 0 HE ARG A 64 3.925 25.916 9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.770 25.315 12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.331 26.134 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.912 26.955 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.976 27.068 10.480 1.00 0.00 H new ATOM 734 N PHE A 65 2.160 20.326 9.608 1.00 0.00 N ATOM 735 CA PHE A 65 2.909 19.336 8.854 1.00 0.00 C ATOM 736 C PHE A 65 3.981 20.001 7.988 1.00 0.00 C ATOM 737 O PHE A 65 3.664 20.798 7.106 1.00 0.00 O ATOM 738 CB PHE A 65 1.911 18.615 7.946 1.00 0.00 C ATOM 739 CG PHE A 65 0.781 17.910 8.699 1.00 0.00 C ATOM 740 CD1 PHE A 65 -0.310 18.613 9.103 1.00 0.00 C ATOM 741 CD2 PHE A 65 0.869 16.579 8.965 1.00 0.00 C ATOM 742 CE1 PHE A 65 -1.359 17.958 9.802 1.00 0.00 C ATOM 743 CE2 PHE A 65 -0.179 15.924 9.664 1.00 0.00 C ATOM 744 CZ PHE A 65 -1.271 16.628 10.068 1.00 0.00 C ATOM 0 H PHE A 65 1.340 20.696 9.128 1.00 0.00 H new ATOM 0 HA PHE A 65 3.408 18.648 9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.477 19.337 7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.447 17.880 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.379 19.670 8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.736 16.020 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.226 18.517 10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.109 14.867 9.875 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.068 16.130 10.600 1.00 0.00 H new ATOM 754 N LEU A 66 5.227 19.649 8.269 1.00 0.00 N ATOM 755 CA LEU A 66 6.346 20.201 7.527 1.00 0.00 C ATOM 756 C LEU A 66 7.568 19.298 7.706 1.00 0.00 C ATOM 757 O LEU A 66 7.616 18.490 8.633 1.00 0.00 O ATOM 758 CB LEU A 66 6.592 21.656 7.932 1.00 0.00 C ATOM 759 CG LEU A 66 7.249 21.870 9.298 1.00 0.00 C ATOM 760 CD1 LEU A 66 8.757 21.622 9.226 1.00 0.00 C ATOM 761 CD2 LEU A 66 6.921 23.257 9.853 1.00 0.00 C ATOM 0 H LEU A 66 5.486 18.988 9.001 1.00 0.00 H new ATOM 0 HA LEU A 66 6.121 20.224 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.219 22.123 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.637 22.181 7.924 1.00 0.00 H new ATOM 0 HG LEU A 66 6.836 21.140 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.199 21.781 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.942 20.597 8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.205 22.312 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.400 23.383 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.287 24.020 9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.842 23.358 9.965 1.00 0.00 H new ATOM 773 N TYR A 67 8.525 19.465 6.805 1.00 0.00 N ATOM 774 CA TYR A 67 9.743 18.674 6.853 1.00 0.00 C ATOM 775 C TYR A 67 10.944 19.540 7.239 1.00 0.00 C ATOM 776 O TYR A 67 11.925 19.039 7.786 1.00 0.00 O ATOM 777 CB TYR A 67 9.952 18.136 5.436 1.00 0.00 C ATOM 778 CG TYR A 67 11.108 17.140 5.313 1.00 0.00 C ATOM 779 CD1 TYR A 67 11.306 16.188 6.292 1.00 0.00 C ATOM 780 CD2 TYR A 67 11.951 17.194 4.222 1.00 0.00 C ATOM 781 CE1 TYR A 67 12.393 15.251 6.176 1.00 0.00 C ATOM 782 CE2 TYR A 67 13.039 16.257 4.106 1.00 0.00 C ATOM 783 CZ TYR A 67 13.206 15.332 5.089 1.00 0.00 C ATOM 784 OH TYR A 67 14.233 14.447 4.979 1.00 0.00 O ATOM 0 H TYR A 67 8.482 20.136 6.038 1.00 0.00 H new ATOM 0 HA TYR A 67 9.656 17.879 7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.033 17.654 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.135 18.974 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.645 16.146 7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.795 17.938 3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.559 14.501 6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 67 13.707 16.288 3.258 1.00 0.00 H new ATOM 0 HH TYR A 67 14.054 13.828 4.241 1.00 0.00 H new ATOM 794 N ASP A 68 10.827 20.825 6.939 1.00 0.00 N ATOM 795 CA ASP A 68 11.891 21.765 7.248 1.00 0.00 C ATOM 796 C ASP A 68 11.331 22.897 8.112 1.00 0.00 C ATOM 797 O ASP A 68 11.597 22.956 9.312 1.00 0.00 O ATOM 798 CB ASP A 68 12.466 22.385 5.972 1.00 0.00 C ATOM 799 CG ASP A 68 13.993 22.391 5.888 1.00 0.00 C ATOM 800 OD1 ASP A 68 14.643 21.339 5.985 1.00 0.00 O ATOM 801 OD2 ASP A 68 14.525 23.554 5.713 1.00 0.00 O ATOM 0 H ASP A 68 10.012 21.237 6.485 1.00 0.00 H new ATOM 0 HA ASP A 68 12.678 21.223 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.072 21.842 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.109 23.412 5.892 1.00 0.00 H new ATOM 807 N GLY A 69 10.566 23.766 7.469 1.00 0.00 N ATOM 808 CA GLY A 69 9.966 24.893 8.164 1.00 0.00 C ATOM 809 C GLY A 69 9.106 25.729 7.214 1.00 0.00 C ATOM 810 O GLY A 69 9.054 26.952 7.332 1.00 0.00 O ATOM 0 H GLY A 69 10.347 23.713 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.354 24.531 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.749 25.517 8.596 1.00 0.00 H new ATOM 814 N ILE A 70 8.452 25.035 6.294 1.00 0.00 N ATOM 815 CA ILE A 70 7.597 25.698 5.324 1.00 0.00 C ATOM 816 C ILE A 70 6.613 24.683 4.740 1.00 0.00 C ATOM 817 O ILE A 70 6.300 24.729 3.551 1.00 0.00 O ATOM 818 CB ILE A 70 8.441 26.414 4.267 1.00 0.00 C ATOM 819 CG1 ILE A 70 9.400 25.440 3.579 1.00 0.00 C ATOM 820 CG2 ILE A 70 9.176 27.612 4.872 1.00 0.00 C ATOM 821 CD1 ILE A 70 8.885 25.051 2.192 1.00 0.00 C ATOM 0 H ILE A 70 8.497 24.020 6.200 1.00 0.00 H new ATOM 0 HA ILE A 70 7.005 26.475 5.807 1.00 0.00 H new ATOM 0 HB ILE A 70 7.771 26.802 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.386 25.897 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.517 24.546 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.768 28.103 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.450 28.318 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.834 27.270 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.585 24.358 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.910 24.573 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.792 25.944 1.575 1.00 0.00 H new ATOM 833 N ARG A 71 6.151 23.790 5.604 1.00 0.00 N ATOM 834 CA ARG A 71 5.208 22.765 5.189 1.00 0.00 C ATOM 835 C ARG A 71 5.827 21.883 4.103 1.00 0.00 C ATOM 836 O ARG A 71 5.238 21.695 3.040 1.00 0.00 O ATOM 837 CB ARG A 71 3.917 23.389 4.655 1.00 0.00 C ATOM 838 CG ARG A 71 3.387 24.458 5.613 1.00 0.00 C ATOM 839 CD ARG A 71 3.418 25.842 4.962 1.00 0.00 C ATOM 840 NE ARG A 71 2.117 26.124 4.313 1.00 0.00 N ATOM 841 CZ ARG A 71 1.800 27.303 3.736 1.00 0.00 C ATOM 842 NH1 ARG A 71 2.687 28.320 3.722 1.00 0.00 N ATOM 843 NH2 ARG A 71 0.608 27.445 3.186 1.00 0.00 N ATOM 0 H ARG A 71 6.412 23.755 6.589 1.00 0.00 H new ATOM 0 HA ARG A 71 4.971 22.158 6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.101 23.832 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.164 22.613 4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.366 24.214 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.988 24.466 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.631 26.602 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.220 25.889 4.225 1.00 0.00 H new ATOM 0 HE ARG A 71 1.417 25.382 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.605 28.202 4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.439 29.207 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.056 26.671 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.351 28.329 2.746 1.00 0.00 H new ATOM 856 N ILE A 72 7.008 21.365 4.408 1.00 0.00 N ATOM 857 CA ILE A 72 7.713 20.507 3.471 1.00 0.00 C ATOM 858 C ILE A 72 7.458 19.043 3.835 1.00 0.00 C ATOM 859 O ILE A 72 7.021 18.743 4.945 1.00 0.00 O ATOM 860 CB ILE A 72 9.197 20.878 3.417 1.00 0.00 C ATOM 861 CG1 ILE A 72 9.381 22.346 3.028 1.00 0.00 C ATOM 862 CG2 ILE A 72 9.963 19.937 2.485 1.00 0.00 C ATOM 863 CD1 ILE A 72 10.796 22.827 3.356 1.00 0.00 C ATOM 0 H ILE A 72 7.494 21.523 5.291 1.00 0.00 H new ATOM 0 HA ILE A 72 7.334 20.655 2.460 1.00 0.00 H new ATOM 0 HB ILE A 72 9.617 20.755 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.189 22.470 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.652 22.960 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.015 20.222 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.872 18.913 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.549 20.005 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.900 23.874 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.976 22.724 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.521 22.227 2.806 1.00 0.00 H new ATOM 875 N GLN A 73 7.742 18.170 2.880 1.00 0.00 N ATOM 876 CA GLN A 73 7.549 16.745 3.086 1.00 0.00 C ATOM 877 C GLN A 73 8.715 15.959 2.485 1.00 0.00 C ATOM 878 O GLN A 73 9.491 16.498 1.697 1.00 0.00 O ATOM 879 CB GLN A 73 6.214 16.282 2.498 1.00 0.00 C ATOM 880 CG GLN A 73 5.729 17.245 1.413 1.00 0.00 C ATOM 881 CD GLN A 73 4.833 18.334 2.008 1.00 0.00 C ATOM 882 OE1 GLN A 73 3.891 18.069 2.737 1.00 0.00 O ATOM 883 NE2 GLN A 73 5.177 19.570 1.657 1.00 0.00 N ATOM 0 H GLN A 73 8.105 18.422 1.961 1.00 0.00 H new ATOM 0 HA GLN A 73 7.522 16.553 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.325 15.282 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.468 16.215 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.586 17.703 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.179 16.693 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.977 19.722 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.640 20.366 2.002 1.00 0.00 H new ATOM 892 N ALA A 74 8.803 14.697 2.880 1.00 0.00 N ATOM 893 CA ALA A 74 9.862 13.831 2.390 1.00 0.00 C ATOM 894 C ALA A 74 9.393 13.133 1.112 1.00 0.00 C ATOM 895 O ALA A 74 9.679 13.593 0.008 1.00 0.00 O ATOM 896 CB ALA A 74 10.258 12.839 3.485 1.00 0.00 C ATOM 0 H ALA A 74 8.158 14.254 3.534 1.00 0.00 H new ATOM 0 HA ALA A 74 10.750 14.413 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.052 12.189 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.611 13.385 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.393 12.235 3.759 1.00 0.00 H new ATOM 902 N ASP A 75 8.681 12.032 1.304 1.00 0.00 N ATOM 903 CA ASP A 75 8.170 11.266 0.180 1.00 0.00 C ATOM 904 C ASP A 75 6.642 11.218 0.253 1.00 0.00 C ATOM 905 O ASP A 75 6.041 10.159 0.081 1.00 0.00 O ATOM 906 CB ASP A 75 8.689 9.827 0.213 1.00 0.00 C ATOM 907 CG ASP A 75 10.148 9.676 0.649 1.00 0.00 C ATOM 908 OD1 ASP A 75 10.653 10.456 1.471 1.00 0.00 O ATOM 909 OD2 ASP A 75 10.782 8.696 0.101 1.00 0.00 O ATOM 0 H ASP A 75 8.446 11.652 2.221 1.00 0.00 H new ATOM 0 HA ASP A 75 8.505 11.750 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.062 9.246 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.575 9.393 -0.780 1.00 0.00 H new ATOM 915 N GLN A 76 6.058 12.380 0.508 1.00 0.00 N ATOM 916 CA GLN A 76 4.612 12.484 0.606 1.00 0.00 C ATOM 917 C GLN A 76 3.969 12.250 -0.762 1.00 0.00 C ATOM 918 O GLN A 76 2.746 12.166 -0.872 1.00 0.00 O ATOM 919 CB GLN A 76 4.197 13.840 1.182 1.00 0.00 C ATOM 920 CG GLN A 76 4.142 13.792 2.710 1.00 0.00 C ATOM 921 CD GLN A 76 3.004 14.664 3.245 1.00 0.00 C ATOM 922 OE1 GLN A 76 2.292 15.323 2.506 1.00 0.00 O ATOM 923 NE2 GLN A 76 2.874 14.632 4.568 1.00 0.00 N ATOM 0 H GLN A 76 6.560 13.257 0.650 1.00 0.00 H new ATOM 0 HA GLN A 76 4.258 11.712 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.904 14.606 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.221 14.123 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.002 12.763 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.091 14.133 3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.504 14.058 5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.144 15.181 5.022 1.00 0.00 H new ATOM 932 N THR A 77 4.821 12.152 -1.772 1.00 0.00 N ATOM 933 CA THR A 77 4.351 11.930 -3.129 1.00 0.00 C ATOM 934 C THR A 77 4.035 10.449 -3.348 1.00 0.00 C ATOM 935 O THR A 77 4.740 9.578 -2.841 1.00 0.00 O ATOM 936 CB THR A 77 5.410 12.473 -4.091 1.00 0.00 C ATOM 937 OG1 THR A 77 5.870 13.667 -3.462 1.00 0.00 O ATOM 938 CG2 THR A 77 4.808 12.956 -5.412 1.00 0.00 C ATOM 0 H THR A 77 5.834 12.222 -1.678 1.00 0.00 H new ATOM 0 HA THR A 77 3.418 12.461 -3.316 1.00 0.00 H new ATOM 0 HB THR A 77 6.150 11.698 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.561 14.084 -4.018 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.602 13.331 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.300 12.127 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.092 13.754 -5.215 1.00 0.00 H new ATOM 946 N PRO A 78 2.945 10.203 -4.124 1.00 0.00 N ATOM 947 CA PRO A 78 2.526 8.843 -4.416 1.00 0.00 C ATOM 948 C PRO A 78 3.451 8.194 -5.448 1.00 0.00 C ATOM 949 O PRO A 78 3.355 6.995 -5.706 1.00 0.00 O ATOM 950 CB PRO A 78 1.091 8.969 -4.900 1.00 0.00 C ATOM 951 CG PRO A 78 0.913 10.424 -5.303 1.00 0.00 C ATOM 952 CD PRO A 78 2.086 11.210 -4.741 1.00 0.00 C ATOM 0 HA PRO A 78 2.583 8.189 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.904 8.304 -5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.388 8.693 -4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.876 10.518 -6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.028 10.815 -4.917 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.612 11.752 -5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.755 11.949 -4.011 1.00 0.00 H new ATOM 960 N GLU A 79 4.326 9.015 -6.010 1.00 0.00 N ATOM 961 CA GLU A 79 5.267 8.536 -7.009 1.00 0.00 C ATOM 962 C GLU A 79 6.637 8.295 -6.373 1.00 0.00 C ATOM 963 O GLU A 79 7.511 7.684 -6.987 1.00 0.00 O ATOM 964 CB GLU A 79 5.370 9.516 -8.179 1.00 0.00 C ATOM 965 CG GLU A 79 4.425 9.117 -9.314 1.00 0.00 C ATOM 966 CD GLU A 79 3.200 10.032 -9.355 1.00 0.00 C ATOM 967 OE1 GLU A 79 2.222 9.793 -8.632 1.00 0.00 O ATOM 968 OE2 GLU A 79 3.288 11.024 -10.175 1.00 0.00 O ATOM 0 H GLU A 79 4.403 10.009 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 79 4.899 7.589 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.129 10.522 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.396 9.542 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.953 9.167 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.107 8.083 -9.180 1.00 0.00 H new ATOM 976 N ASP A 80 6.783 8.786 -5.151 1.00 0.00 N ATOM 977 CA ASP A 80 8.032 8.631 -4.426 1.00 0.00 C ATOM 978 C ASP A 80 7.947 7.392 -3.532 1.00 0.00 C ATOM 979 O ASP A 80 8.963 6.761 -3.242 1.00 0.00 O ATOM 980 CB ASP A 80 8.303 9.842 -3.531 1.00 0.00 C ATOM 981 CG ASP A 80 9.779 10.096 -3.216 1.00 0.00 C ATOM 982 OD1 ASP A 80 10.331 9.543 -2.254 1.00 0.00 O ATOM 983 OD2 ASP A 80 10.375 10.911 -4.019 1.00 0.00 O ATOM 0 H ASP A 80 6.056 9.292 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 80 8.836 8.535 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.892 10.730 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.764 9.709 -2.593 1.00 0.00 H new ATOM 989 N LEU A 81 6.727 7.081 -3.121 1.00 0.00 N ATOM 990 CA LEU A 81 6.497 5.928 -2.266 1.00 0.00 C ATOM 991 C LEU A 81 6.580 4.652 -3.105 1.00 0.00 C ATOM 992 O LEU A 81 7.117 3.641 -2.653 1.00 0.00 O ATOM 993 CB LEU A 81 5.177 6.080 -1.506 1.00 0.00 C ATOM 994 CG LEU A 81 3.904 5.836 -2.318 1.00 0.00 C ATOM 995 CD1 LEU A 81 3.530 4.353 -2.320 1.00 0.00 C ATOM 996 CD2 LEU A 81 2.757 6.716 -1.817 1.00 0.00 C ATOM 0 H LEU A 81 5.887 7.607 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 81 7.272 5.859 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.184 5.389 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.133 7.087 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 81 4.099 6.120 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.621 4.208 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.341 3.774 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.360 4.019 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.864 6.523 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.553 6.487 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.036 7.766 -1.911 1.00 0.00 H new ATOM 1008 N ASP A 82 6.041 4.739 -4.312 1.00 0.00 N ATOM 1009 CA ASP A 82 6.048 3.603 -5.219 1.00 0.00 C ATOM 1010 C ASP A 82 7.489 3.289 -5.625 1.00 0.00 C ATOM 1011 O ASP A 82 7.821 2.140 -5.911 1.00 0.00 O ATOM 1012 CB ASP A 82 5.253 3.908 -6.490 1.00 0.00 C ATOM 1013 CG ASP A 82 5.347 2.841 -7.582 1.00 0.00 C ATOM 1014 OD1 ASP A 82 5.423 1.638 -7.295 1.00 0.00 O ATOM 1015 OD2 ASP A 82 5.339 3.295 -8.790 1.00 0.00 O ATOM 0 H ASP A 82 5.596 5.579 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 82 5.593 2.757 -4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.205 4.041 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.600 4.857 -6.899 1.00 0.00 H new ATOM 1021 N MET A 83 8.307 4.332 -5.639 1.00 0.00 N ATOM 1022 CA MET A 83 9.705 4.182 -6.006 1.00 0.00 C ATOM 1023 C MET A 83 10.597 4.144 -4.764 1.00 0.00 C ATOM 1024 O MET A 83 11.069 3.081 -4.366 1.00 0.00 O ATOM 1025 CB MET A 83 10.125 5.348 -6.902 1.00 0.00 C ATOM 1026 CG MET A 83 10.455 4.863 -8.315 1.00 0.00 C ATOM 1027 SD MET A 83 10.109 6.152 -9.500 1.00 0.00 S ATOM 1028 CE MET A 83 10.383 7.591 -8.480 1.00 0.00 C ATOM 0 H MET A 83 8.028 5.284 -5.402 1.00 0.00 H new ATOM 0 HA MET A 83 9.822 3.240 -6.542 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.323 6.085 -6.945 1.00 0.00 H new ATOM 0 HB3 MET A 83 10.994 5.846 -6.473 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.505 4.576 -8.374 1.00 0.00 H new ATOM 0 HG3 MET A 83 9.868 3.975 -8.550 1.00 0.00 H new ATOM 0 HE1 MET A 83 10.543 8.462 -9.115 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.512 7.759 -7.847 1.00 0.00 H new ATOM 0 HE3 MET A 83 11.261 7.432 -7.854 1.00 0.00 H new ATOM 1038 N GLU A 84 10.800 5.319 -4.185 1.00 0.00 N ATOM 1039 CA GLU A 84 11.627 5.434 -2.996 1.00 0.00 C ATOM 1040 C GLU A 84 11.061 4.568 -1.869 1.00 0.00 C ATOM 1041 O GLU A 84 9.937 4.078 -1.964 1.00 0.00 O ATOM 1042 CB GLU A 84 11.753 6.894 -2.555 1.00 0.00 C ATOM 1043 CG GLU A 84 13.162 7.191 -2.039 1.00 0.00 C ATOM 1044 CD GLU A 84 14.217 6.846 -3.093 1.00 0.00 C ATOM 1045 OE1 GLU A 84 14.733 5.719 -3.107 1.00 0.00 O ATOM 1046 OE2 GLU A 84 14.494 7.798 -3.918 1.00 0.00 O ATOM 0 H GLU A 84 10.406 6.199 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 84 12.627 5.074 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.523 7.552 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.023 7.106 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.241 8.245 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.349 6.618 -1.131 1.00 0.00 H new ATOM 1054 N ASP A 85 11.866 4.405 -0.829 1.00 0.00 N ATOM 1055 CA ASP A 85 11.459 3.606 0.314 1.00 0.00 C ATOM 1056 C ASP A 85 12.064 4.201 1.587 1.00 0.00 C ATOM 1057 O ASP A 85 13.109 3.748 2.052 1.00 0.00 O ATOM 1058 CB ASP A 85 11.955 2.165 0.183 1.00 0.00 C ATOM 1059 CG ASP A 85 13.377 2.017 -0.361 1.00 0.00 C ATOM 1060 OD1 ASP A 85 13.958 2.972 -0.898 1.00 0.00 O ATOM 1061 OD2 ASP A 85 13.898 0.846 -0.214 1.00 0.00 O ATOM 0 H ASP A 85 12.798 4.813 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 85 10.370 3.609 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.906 1.689 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.274 1.620 -0.471 1.00 0.00 H new ATOM 1067 N ASN A 86 11.381 5.206 2.116 1.00 0.00 N ATOM 1068 CA ASN A 86 11.838 5.867 3.326 1.00 0.00 C ATOM 1069 C ASN A 86 10.806 6.913 3.751 1.00 0.00 C ATOM 1070 O ASN A 86 10.761 8.008 3.192 1.00 0.00 O ATOM 1071 CB ASN A 86 13.170 6.583 3.093 1.00 0.00 C ATOM 1072 CG ASN A 86 13.965 6.699 4.395 1.00 0.00 C ATOM 1073 OD1 ASN A 86 13.796 5.930 5.327 1.00 0.00 O ATOM 1074 ND2 ASN A 86 14.838 7.702 4.408 1.00 0.00 N ATOM 0 H ASN A 86 10.514 5.578 1.728 1.00 0.00 H new ATOM 0 HA ASN A 86 11.967 5.108 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.755 6.038 2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.986 7.577 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 86 15.416 7.864 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.930 8.309 3.593 1.00 0.00 H new ATOM 1081 N ASP A 87 10.003 6.540 4.736 1.00 0.00 N ATOM 1082 CA ASP A 87 8.974 7.433 5.242 1.00 0.00 C ATOM 1083 C ASP A 87 9.517 8.193 6.454 1.00 0.00 C ATOM 1084 O ASP A 87 9.840 7.590 7.476 1.00 0.00 O ATOM 1085 CB ASP A 87 7.737 6.652 5.689 1.00 0.00 C ATOM 1086 CG ASP A 87 7.312 5.522 4.750 1.00 0.00 C ATOM 1087 OD1 ASP A 87 6.695 4.534 5.177 1.00 0.00 O ATOM 1088 OD2 ASP A 87 7.644 5.686 3.514 1.00 0.00 O ATOM 0 H ASP A 87 10.044 5.631 5.198 1.00 0.00 H new ATOM 0 HA ASP A 87 8.697 8.117 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.929 6.231 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.905 7.348 5.795 1.00 0.00 H new ATOM 1094 N ILE A 88 9.599 9.507 6.300 1.00 0.00 N ATOM 1095 CA ILE A 88 10.097 10.356 7.369 1.00 0.00 C ATOM 1096 C ILE A 88 9.633 11.794 7.131 1.00 0.00 C ATOM 1097 O ILE A 88 9.867 12.356 6.062 1.00 0.00 O ATOM 1098 CB ILE A 88 11.614 10.214 7.504 1.00 0.00 C ATOM 1099 CG1 ILE A 88 12.312 11.560 7.298 1.00 0.00 C ATOM 1100 CG2 ILE A 88 12.151 9.140 6.556 1.00 0.00 C ATOM 1101 CD1 ILE A 88 12.371 11.926 5.814 1.00 0.00 C ATOM 0 H ILE A 88 9.329 10.004 5.451 1.00 0.00 H new ATOM 0 HA ILE A 88 9.684 10.042 8.328 1.00 0.00 H new ATOM 0 HB ILE A 88 11.837 9.888 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.780 12.337 7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.322 11.516 7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 88 13.232 9.059 6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.688 8.182 6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 88 11.916 9.412 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.872 12.887 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.924 11.159 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.359 11.993 5.415 1.00 0.00 H new ATOM 1113 N ILE A 89 8.983 12.348 8.144 1.00 0.00 N ATOM 1114 CA ILE A 89 8.484 13.710 8.057 1.00 0.00 C ATOM 1115 C ILE A 89 8.416 14.313 9.462 1.00 0.00 C ATOM 1116 O ILE A 89 8.666 13.625 10.450 1.00 0.00 O ATOM 1117 CB ILE A 89 7.150 13.745 7.308 1.00 0.00 C ATOM 1118 CG1 ILE A 89 7.024 12.553 6.357 1.00 0.00 C ATOM 1119 CG2 ILE A 89 6.964 15.079 6.582 1.00 0.00 C ATOM 1120 CD1 ILE A 89 5.618 12.475 5.759 1.00 0.00 C ATOM 0 H ILE A 89 8.790 11.879 9.029 1.00 0.00 H new ATOM 0 HA ILE A 89 9.166 14.330 7.475 1.00 0.00 H new ATOM 0 HB ILE A 89 6.346 13.661 8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 89 7.759 12.642 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.247 11.630 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.008 15.078 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.979 15.893 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.772 15.218 5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.555 11.619 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.888 12.361 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.408 13.389 5.203 1.00 0.00 H new ATOM 1132 N GLU A 90 8.075 15.593 9.505 1.00 0.00 N ATOM 1133 CA GLU A 90 7.971 16.297 10.772 1.00 0.00 C ATOM 1134 C GLU A 90 6.598 16.961 10.899 1.00 0.00 C ATOM 1135 O GLU A 90 6.014 17.383 9.903 1.00 0.00 O ATOM 1136 CB GLU A 90 9.093 17.326 10.921 1.00 0.00 C ATOM 1137 CG GLU A 90 10.390 16.819 10.287 1.00 0.00 C ATOM 1138 CD GLU A 90 11.605 17.551 10.862 1.00 0.00 C ATOM 1139 OE1 GLU A 90 12.722 17.396 10.348 1.00 0.00 O ATOM 1140 OE2 GLU A 90 11.356 18.304 11.879 1.00 0.00 O ATOM 0 H GLU A 90 7.867 16.160 8.683 1.00 0.00 H new ATOM 0 HA GLU A 90 8.078 15.572 11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.796 18.263 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.259 17.538 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.490 15.748 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.352 16.963 9.207 1.00 0.00 H new ATOM 1148 N ALA A 91 6.123 17.032 12.134 1.00 0.00 N ATOM 1149 CA ALA A 91 4.830 17.637 12.404 1.00 0.00 C ATOM 1150 C ALA A 91 4.961 18.604 13.583 1.00 0.00 C ATOM 1151 O ALA A 91 4.955 18.184 14.739 1.00 0.00 O ATOM 1152 CB ALA A 91 3.797 16.539 12.663 1.00 0.00 C ATOM 0 H ALA A 91 6.610 16.681 12.958 1.00 0.00 H new ATOM 0 HA ALA A 91 4.487 18.211 11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.827 16.993 12.866 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.721 15.897 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.106 15.944 13.523 1.00 0.00 H new ATOM 1158 N HIS A 92 5.076 19.881 13.249 1.00 0.00 N ATOM 1159 CA HIS A 92 5.208 20.911 14.265 1.00 0.00 C ATOM 1160 C HIS A 92 3.835 21.220 14.865 1.00 0.00 C ATOM 1161 O HIS A 92 2.833 20.624 14.471 1.00 0.00 O ATOM 1162 CB HIS A 92 5.898 22.152 13.695 1.00 0.00 C ATOM 1163 CG HIS A 92 7.110 22.596 14.479 1.00 0.00 C ATOM 1164 ND1 HIS A 92 7.287 23.898 14.912 1.00 0.00 N ATOM 1165 CD2 HIS A 92 8.201 21.897 14.905 1.00 0.00 C ATOM 1166 CE1 HIS A 92 8.437 23.969 15.566 1.00 0.00 C ATOM 1167 NE2 HIS A 92 9.002 22.728 15.560 1.00 0.00 N ATOM 0 H HIS A 92 5.080 20.226 12.289 1.00 0.00 H new ATOM 0 HA HIS A 92 5.846 20.550 15.072 1.00 0.00 H new ATOM 0 HB2 HIS A 92 6.198 21.948 12.667 1.00 0.00 H new ATOM 0 HB3 HIS A 92 5.180 22.971 13.661 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.382 20.846 14.738 1.00 0.00 H new ATOM 0 HE1 HIS A 92 8.854 24.854 16.023 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.894 22.479 15.988 1.00 0.00 H new ATOM 1175 N ARG A 93 3.831 22.151 15.807 1.00 0.00 N ATOM 1176 CA ARG A 93 2.597 22.546 16.465 1.00 0.00 C ATOM 1177 C ARG A 93 1.919 23.675 15.686 1.00 0.00 C ATOM 1178 O ARG A 93 2.588 24.464 15.020 1.00 0.00 O ATOM 1179 CB ARG A 93 2.862 23.012 17.898 1.00 0.00 C ATOM 1180 CG ARG A 93 2.986 21.819 18.848 1.00 0.00 C ATOM 1181 CD ARG A 93 4.140 20.905 18.432 1.00 0.00 C ATOM 1182 NE ARG A 93 4.902 20.476 19.626 1.00 0.00 N ATOM 1183 CZ ARG A 93 4.380 19.747 20.635 1.00 0.00 C ATOM 1184 NH1 ARG A 93 3.088 19.359 20.603 1.00 0.00 N ATOM 1185 NH2 ARG A 93 5.153 19.420 21.654 1.00 0.00 N ATOM 0 H ARG A 93 4.663 22.644 16.131 1.00 0.00 H new ATOM 0 HA ARG A 93 1.942 21.675 16.494 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.778 23.603 17.929 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.052 23.662 18.229 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.148 22.175 19.865 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.054 21.254 18.852 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.752 20.033 17.905 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.798 21.429 17.739 1.00 0.00 H new ATOM 0 HE ARG A 93 5.883 20.748 19.690 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.498 19.616 19.812 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.702 18.808 21.370 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.128 19.718 21.670 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.775 18.870 22.425 1.00 0.00 H new ATOM 1198 N GLU A 94 0.599 23.716 15.795 1.00 0.00 N ATOM 1199 CA GLU A 94 -0.177 24.735 15.110 1.00 0.00 C ATOM 1200 C GLU A 94 -1.557 24.875 15.755 1.00 0.00 C ATOM 1201 O GLU A 94 -2.545 24.359 15.235 1.00 0.00 O ATOM 1202 CB GLU A 94 -0.300 24.420 13.617 1.00 0.00 C ATOM 1203 CG GLU A 94 0.469 25.441 12.777 1.00 0.00 C ATOM 1204 CD GLU A 94 -0.391 26.673 12.489 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -1.127 26.696 11.491 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -0.277 27.630 13.346 1.00 0.00 O ATOM 0 H GLU A 94 0.048 23.060 16.348 1.00 0.00 H new ATOM 0 HA GLU A 94 0.346 25.687 15.206 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.083 23.419 13.420 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.351 24.422 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.376 25.741 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.781 24.984 11.838 1.00 0.00 H new ATOM 1214 N GLN A 95 -1.581 25.575 16.880 1.00 0.00 N ATOM 1215 CA GLN A 95 -2.824 25.789 17.602 1.00 0.00 C ATOM 1216 C GLN A 95 -2.689 26.984 18.548 1.00 0.00 C ATOM 1217 O GLN A 95 -1.847 26.977 19.445 1.00 0.00 O ATOM 1218 CB GLN A 95 -3.239 24.530 18.364 1.00 0.00 C ATOM 1219 CG GLN A 95 -4.452 24.803 19.255 1.00 0.00 C ATOM 1220 CD GLN A 95 -5.738 24.863 18.427 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -5.762 24.552 17.248 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -6.801 25.280 19.109 1.00 0.00 N ATOM 0 H GLN A 95 -0.760 26.001 17.309 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.609 26.010 16.878 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.474 23.734 17.657 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.407 24.179 18.974 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.537 24.021 20.009 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.313 25.745 19.786 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.710 25.525 20.095 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.707 25.355 18.646 1.00 0.00 H new ATOM 1231 N ILE A 96 -3.530 27.980 18.316 1.00 0.00 N ATOM 1232 CA ILE A 96 -3.515 29.179 19.137 1.00 0.00 C ATOM 1233 C ILE A 96 -4.513 29.018 20.285 1.00 0.00 C ATOM 1234 O ILE A 96 -5.537 28.354 20.134 1.00 0.00 O ATOM 1235 CB ILE A 96 -3.762 30.421 18.277 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -5.194 30.439 17.739 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -2.727 30.525 17.155 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -6.188 30.823 18.837 1.00 0.00 C ATOM 0 H ILE A 96 -4.227 27.982 17.571 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.532 29.321 19.586 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.644 31.302 18.907 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.267 31.147 16.914 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.449 29.457 17.340 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.925 31.416 16.559 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.728 30.592 17.586 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.789 29.642 16.519 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.198 30.828 18.428 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.130 30.099 19.650 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.945 31.815 19.217 1.00 0.00 H new TER 1250 ILE A 96