USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 70 ASN : amide:sc= -8.41! K(o=-12!,f=-1.5) USER MOD Set 1.2: A 72 ASN : amide:sc= -3.28 X(o=-12,f=-11) USER MOD Set 2.1: A 35 GLN : amide:sc= -3.56! C(o=-7.9!,f=-9!) USER MOD Set 2.2: A 38 GLN : amide:sc= -4.38! C(o=-7.9!,f=-8.5!) USER MOD Set 3.1: A 15 MET CE :methyl -153:sc= -0.0559 (180deg=0) USER MOD Set 3.2: A 65 LYS NZ :NH3+ -154:sc= -0.42 (180deg=-2.66!) USER MOD Set 4.1: A 13 ASN : amide:sc= -2.95! C(o=-2.9!,f=-8.5!) USER MOD Set 4.2: A 14 THR OG1 : rot 43:sc= 0.0912 USER MOD Set 5.1: A 9 THR OG1 : rot -166:sc= 0.594 USER MOD Set 5.2: A 11 ASN : amide:sc= 0.0278 K(o=0.62,f=-2.6) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= -1.23 (180deg=-1.56) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -38:sc= 0.314 USER MOD Single : A 30 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 31 TYR OH : rot -163:sc= -1.57! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.7! C(o=-1.7!,f=-6.6!) USER MOD Single : A 77 GLN : amide:sc= -3.89! C(o=-3.9!,f=-1.4!) USER MOD Single : A 80 ASN : amide:sc= -0.0788 K(o=-0.079,f=-0.92) USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.953 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 4.294 2.053 -1.906 1.00 1.00 N ATOM 21 CA GLU A 2 4.221 3.523 -2.047 1.00 1.00 C ATOM 22 C GLU A 2 4.790 4.215 -0.818 1.00 1.00 C ATOM 23 O GLU A 2 4.263 4.060 0.270 1.00 1.00 O ATOM 24 CB GLU A 2 2.758 3.951 -2.220 1.00 1.00 C ATOM 25 CG GLU A 2 2.223 3.460 -3.566 1.00 1.00 C ATOM 26 CD GLU A 2 0.755 3.850 -3.706 1.00 1.00 C ATOM 27 OE1 GLU A 2 0.037 3.736 -2.725 1.00 1.00 O ATOM 28 OE2 GLU A 2 0.372 4.262 -4.787 1.00 1.00 O ATOM 0 HA GLU A 2 4.807 3.810 -2.920 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.154 3.544 -1.409 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.679 5.037 -2.163 1.00 1.00 H new ATOM 0 HG2 GLU A 2 2.804 3.894 -4.380 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.331 2.378 -3.639 1.00 1.00 H new ATOM 35 N ILE A 3 5.880 4.953 -0.999 1.00 1.00 N ATOM 36 CA ILE A 3 6.523 5.634 0.123 1.00 1.00 C ATOM 37 C ILE A 3 5.545 6.550 0.873 1.00 1.00 C ATOM 38 O ILE A 3 4.886 7.408 0.286 1.00 1.00 O ATOM 39 CB ILE A 3 7.717 6.459 -0.370 1.00 1.00 C ATOM 40 CG1 ILE A 3 8.727 5.531 -1.068 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.401 7.147 0.832 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.791 6.376 -1.765 1.00 1.00 C ATOM 0 H ILE A 3 6.334 5.095 -1.901 1.00 1.00 H new ATOM 0 HA ILE A 3 6.866 4.864 0.815 1.00 1.00 H new ATOM 0 HB ILE A 3 7.369 7.216 -1.073 1.00 1.00 H new ATOM 0 HG12 ILE A 3 9.193 4.868 -0.339 1.00 1.00 H new ATOM 0 HG13 ILE A 3 8.216 4.898 -1.794 1.00 1.00 H new ATOM 0 HG21 ILE A 3 9.250 7.733 0.481 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.687 7.804 1.330 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.749 6.390 1.535 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.508 5.722 -2.261 1.00 1.00 H new ATOM 0 HD12 ILE A 3 9.317 7.021 -2.505 1.00 1.00 H new ATOM 0 HD13 ILE A 3 10.309 6.990 -1.028 1.00 1.00 H new ATOM 54 N ILE A 4 5.495 6.351 2.192 1.00 1.00 N ATOM 55 CA ILE A 4 4.632 7.156 3.085 1.00 1.00 C ATOM 56 C ILE A 4 5.412 8.363 3.589 1.00 1.00 C ATOM 57 O ILE A 4 4.888 9.474 3.664 1.00 1.00 O ATOM 58 CB ILE A 4 4.141 6.303 4.300 1.00 1.00 C ATOM 59 CG1 ILE A 4 2.901 5.443 3.924 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.771 7.205 5.509 1.00 1.00 C ATOM 61 CD1 ILE A 4 3.097 4.740 2.582 1.00 1.00 C ATOM 0 H ILE A 4 6.041 5.638 2.675 1.00 1.00 H new ATOM 0 HA ILE A 4 3.760 7.487 2.522 1.00 1.00 H new ATOM 0 HB ILE A 4 4.967 5.647 4.575 1.00 1.00 H new ATOM 0 HG12 ILE A 4 2.721 4.701 4.702 1.00 1.00 H new ATOM 0 HG13 ILE A 4 2.016 6.078 3.878 1.00 1.00 H new ATOM 0 HG21 ILE A 4 3.433 6.582 6.338 1.00 1.00 H new ATOM 0 HG22 ILE A 4 4.646 7.777 5.818 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.973 7.890 5.221 1.00 1.00 H new ATOM 0 HD11 ILE A 4 2.212 4.147 2.349 1.00 1.00 H new ATOM 0 HD12 ILE A 4 3.252 5.484 1.801 1.00 1.00 H new ATOM 0 HD13 ILE A 4 3.967 4.086 2.637 1.00 1.00 H new ATOM 73 N ALA A 5 6.655 8.117 3.971 1.00 1.00 N ATOM 74 CA ALA A 5 7.494 9.171 4.514 1.00 1.00 C ATOM 75 C ALA A 5 8.926 8.685 4.661 1.00 1.00 C ATOM 76 O ALA A 5 9.206 7.492 4.539 1.00 1.00 O ATOM 77 CB ALA A 5 6.959 9.602 5.879 1.00 1.00 C ATOM 0 H ALA A 5 7.102 7.202 3.915 1.00 1.00 H new ATOM 0 HA ALA A 5 7.478 10.019 3.830 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.590 10.393 6.284 1.00 1.00 H new ATOM 0 HB2 ALA A 5 5.939 9.972 5.770 1.00 1.00 H new ATOM 0 HB3 ALA A 5 6.965 8.749 6.558 1.00 1.00 H new ATOM 83 N ILE A 6 9.827 9.627 4.928 1.00 1.00 N ATOM 84 CA ILE A 6 11.252 9.333 5.095 1.00 1.00 C ATOM 85 C ILE A 6 11.672 9.675 6.515 1.00 1.00 C ATOM 86 O ILE A 6 11.420 10.784 6.984 1.00 1.00 O ATOM 87 CB ILE A 6 12.072 10.190 4.116 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.539 10.018 2.680 1.00 1.00 C ATOM 89 CG2 ILE A 6 13.546 9.777 4.174 1.00 1.00 C ATOM 90 CD1 ILE A 6 11.483 8.535 2.272 1.00 1.00 C ATOM 0 H ILE A 6 9.593 10.614 5.035 1.00 1.00 H new ATOM 0 HA ILE A 6 11.428 8.276 4.897 1.00 1.00 H new ATOM 0 HB ILE A 6 11.979 11.237 4.403 1.00 1.00 H new ATOM 0 HG12 ILE A 6 10.543 10.454 2.606 1.00 1.00 H new ATOM 0 HG13 ILE A 6 12.178 10.563 1.986 1.00 1.00 H new ATOM 0 HG21 ILE A 6 14.122 10.387 3.479 1.00 1.00 H new ATOM 0 HG22 ILE A 6 13.925 9.923 5.185 1.00 1.00 H new ATOM 0 HG23 ILE A 6 13.641 8.726 3.899 1.00 1.00 H new ATOM 0 HD11 ILE A 6 11.103 8.452 1.254 1.00 1.00 H new ATOM 0 HD12 ILE A 6 12.484 8.106 2.322 1.00 1.00 H new ATOM 0 HD13 ILE A 6 10.823 7.995 2.951 1.00 1.00 H new ATOM 102 N SER A 7 12.323 8.732 7.194 1.00 1.00 N ATOM 103 CA SER A 7 12.789 8.958 8.569 1.00 1.00 C ATOM 104 C SER A 7 14.302 9.156 8.572 1.00 1.00 C ATOM 105 O SER A 7 15.062 8.206 8.387 1.00 1.00 O ATOM 106 CB SER A 7 12.406 7.754 9.437 1.00 1.00 C ATOM 107 OG SER A 7 11.023 7.828 9.750 1.00 1.00 O ATOM 0 H SER A 7 12.541 7.808 6.821 1.00 1.00 H new ATOM 0 HA SER A 7 12.319 9.854 8.976 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.623 6.826 8.909 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.999 7.746 10.352 1.00 1.00 H new ATOM 0 HG SER A 7 10.771 7.060 10.304 1.00 1.00 H new ATOM 113 N GLU A 8 14.735 10.396 8.797 1.00 1.00 N ATOM 114 CA GLU A 8 16.163 10.705 8.836 1.00 1.00 C ATOM 115 C GLU A 8 16.727 10.311 10.197 1.00 1.00 C ATOM 116 O GLU A 8 16.316 10.852 11.225 1.00 1.00 O ATOM 117 CB GLU A 8 16.376 12.204 8.593 1.00 1.00 C ATOM 118 CG GLU A 8 15.945 12.559 7.162 1.00 1.00 C ATOM 119 CD GLU A 8 16.108 14.058 6.909 1.00 1.00 C ATOM 120 OE1 GLU A 8 16.560 14.749 7.807 1.00 1.00 O ATOM 121 OE2 GLU A 8 15.779 14.493 5.816 1.00 1.00 O ATOM 0 H GLU A 8 14.123 11.197 8.954 1.00 1.00 H new ATOM 0 HA GLU A 8 16.679 10.145 8.056 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.799 12.785 9.312 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.424 12.462 8.743 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.544 11.996 6.446 1.00 1.00 H new ATOM 0 HG3 GLU A 8 14.906 12.269 7.007 1.00 1.00 H new ATOM 128 N THR A 9 17.651 9.342 10.212 1.00 1.00 N ATOM 129 CA THR A 9 18.244 8.862 11.474 1.00 1.00 C ATOM 130 C THR A 9 19.508 9.664 11.801 1.00 1.00 C ATOM 131 O THR A 9 19.931 10.503 11.008 1.00 1.00 O ATOM 132 CB THR A 9 18.590 7.343 11.380 1.00 1.00 C ATOM 133 OG1 THR A 9 20.000 7.169 11.259 1.00 1.00 O ATOM 134 CG2 THR A 9 17.911 6.717 10.157 1.00 1.00 C ATOM 0 H THR A 9 18.004 8.877 9.376 1.00 1.00 H new ATOM 0 HA THR A 9 17.513 9.003 12.270 1.00 1.00 H new ATOM 0 HB THR A 9 18.233 6.855 12.287 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.193 6.250 10.979 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.161 5.657 10.104 1.00 1.00 H new ATOM 0 HG22 THR A 9 16.830 6.831 10.243 1.00 1.00 H new ATOM 0 HG23 THR A 9 18.258 7.217 9.253 1.00 1.00 H new ATOM 142 N PRO A 10 20.129 9.423 12.939 1.00 1.00 N ATOM 143 CA PRO A 10 21.374 10.154 13.328 1.00 1.00 C ATOM 144 C PRO A 10 22.558 9.798 12.419 1.00 1.00 C ATOM 145 O PRO A 10 23.706 10.095 12.752 1.00 1.00 O ATOM 146 CB PRO A 10 21.638 9.708 14.800 1.00 1.00 C ATOM 147 CG PRO A 10 20.360 9.057 15.248 1.00 1.00 C ATOM 148 CD PRO A 10 19.743 8.451 13.983 1.00 1.00 C ATOM 0 HA PRO A 10 21.258 11.233 13.231 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.475 9.013 14.857 1.00 1.00 H new ATOM 0 HB3 PRO A 10 21.888 10.561 15.431 1.00 1.00 H new ATOM 0 HG2 PRO A 10 20.553 8.289 15.997 1.00 1.00 H new ATOM 0 HG3 PRO A 10 19.688 9.784 15.703 1.00 1.00 H new ATOM 0 HD2 PRO A 10 20.137 7.456 13.776 1.00 1.00 H new ATOM 0 HD3 PRO A 10 18.661 8.354 14.066 1.00 1.00 H new ATOM 156 N ASN A 11 22.288 9.160 11.273 1.00 1.00 N ATOM 157 CA ASN A 11 23.352 8.770 10.341 1.00 1.00 C ATOM 158 C ASN A 11 23.517 9.818 9.246 1.00 1.00 C ATOM 159 O ASN A 11 22.815 10.829 9.229 1.00 1.00 O ATOM 160 CB ASN A 11 23.003 7.429 9.699 1.00 1.00 C ATOM 161 CG ASN A 11 22.834 6.356 10.771 1.00 1.00 C ATOM 162 OD1 ASN A 11 21.939 5.516 10.674 1.00 1.00 O ATOM 163 ND2 ASN A 11 23.646 6.334 11.791 1.00 1.00 N ATOM 0 H ASN A 11 21.348 8.905 10.971 1.00 1.00 H new ATOM 0 HA ASN A 11 24.286 8.687 10.897 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.084 7.523 9.121 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.789 7.136 9.003 1.00 1.00 H new ATOM 0 HD21 ASN A 11 23.541 5.620 12.511 1.00 1.00 H new ATOM 0 HD22 ASN A 11 24.386 7.031 11.869 1.00 1.00 H new ATOM 170 N HIS A 12 24.462 9.564 8.332 1.00 1.00 N ATOM 171 CA HIS A 12 24.748 10.486 7.221 1.00 1.00 C ATOM 172 C HIS A 12 24.304 9.902 5.875 1.00 1.00 C ATOM 173 O HIS A 12 23.494 10.502 5.166 1.00 1.00 O ATOM 174 CB HIS A 12 26.255 10.761 7.172 1.00 1.00 C ATOM 175 CG HIS A 12 26.545 11.795 6.120 1.00 1.00 C ATOM 176 ND1 HIS A 12 26.309 13.145 6.327 1.00 1.00 N ATOM 177 CD2 HIS A 12 27.036 11.692 4.842 1.00 1.00 C ATOM 178 CE1 HIS A 12 26.653 13.794 5.199 1.00 1.00 C ATOM 179 NE2 HIS A 12 27.102 12.956 4.263 1.00 1.00 N ATOM 0 H HIS A 12 25.044 8.726 8.339 1.00 1.00 H new ATOM 0 HA HIS A 12 24.192 11.408 7.394 1.00 1.00 H new ATOM 0 HB2 HIS A 12 26.603 11.109 8.144 1.00 1.00 H new ATOM 0 HB3 HIS A 12 26.796 9.841 6.951 1.00 1.00 H new ATOM 0 HD2 HIS A 12 27.327 10.771 4.359 1.00 1.00 H new ATOM 0 HE1 HIS A 12 26.575 14.863 5.068 1.00 1.00 H new ATOM 0 HE2 HIS A 12 27.424 13.191 3.324 1.00 1.00 H new ATOM 188 N ASN A 13 24.855 8.736 5.521 1.00 1.00 N ATOM 189 CA ASN A 13 24.529 8.077 4.244 1.00 1.00 C ATOM 190 C ASN A 13 23.527 6.938 4.434 1.00 1.00 C ATOM 191 O ASN A 13 23.248 6.201 3.496 1.00 1.00 O ATOM 192 CB ASN A 13 25.804 7.540 3.599 1.00 1.00 C ATOM 193 CG ASN A 13 26.454 6.500 4.509 1.00 1.00 C ATOM 194 OD1 ASN A 13 25.830 6.028 5.460 1.00 1.00 O ATOM 195 ND2 ASN A 13 27.680 6.117 4.280 1.00 1.00 N ATOM 0 H ASN A 13 25.527 8.228 6.096 1.00 1.00 H new ATOM 0 HA ASN A 13 24.070 8.821 3.593 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.572 7.094 2.632 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.500 8.358 3.414 1.00 1.00 H new ATOM 0 HD21 ASN A 13 28.121 5.427 4.888 1.00 1.00 H new ATOM 0 HD22 ASN A 13 28.198 6.507 3.493 1.00 1.00 H new ATOM 202 N THR A 14 22.978 6.799 5.650 1.00 1.00 N ATOM 203 CA THR A 14 21.987 5.747 5.942 1.00 1.00 C ATOM 204 C THR A 14 20.656 6.398 6.308 1.00 1.00 C ATOM 205 O THR A 14 20.606 7.296 7.149 1.00 1.00 O ATOM 206 CB THR A 14 22.471 4.868 7.103 1.00 1.00 C ATOM 207 OG1 THR A 14 23.796 4.429 6.841 1.00 1.00 O ATOM 208 CG2 THR A 14 21.556 3.648 7.247 1.00 1.00 C ATOM 0 H THR A 14 23.201 7.398 6.445 1.00 1.00 H new ATOM 0 HA THR A 14 21.859 5.120 5.060 1.00 1.00 H new ATOM 0 HB THR A 14 22.449 5.448 8.025 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.323 5.175 6.485 1.00 1.00 H new ATOM 0 HG21 THR A 14 21.904 3.027 8.073 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.537 3.979 7.447 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.575 3.068 6.324 1.00 1.00 H new ATOM 216 N MET A 15 19.577 5.943 5.666 1.00 1.00 N ATOM 217 CA MET A 15 18.236 6.487 5.919 1.00 1.00 C ATOM 218 C MET A 15 17.207 5.363 5.919 1.00 1.00 C ATOM 219 O MET A 15 17.391 4.345 5.252 1.00 1.00 O ATOM 220 CB MET A 15 17.874 7.515 4.843 1.00 1.00 C ATOM 221 CG MET A 15 17.951 6.867 3.457 1.00 1.00 C ATOM 222 SD MET A 15 17.708 8.133 2.184 1.00 1.00 S ATOM 223 CE MET A 15 17.442 7.010 0.790 1.00 1.00 C ATOM 0 H MET A 15 19.603 5.200 4.968 1.00 1.00 H new ATOM 0 HA MET A 15 18.235 6.974 6.894 1.00 1.00 H new ATOM 0 HB2 MET A 15 16.870 7.900 5.019 1.00 1.00 H new ATOM 0 HB3 MET A 15 18.555 8.365 4.895 1.00 1.00 H new ATOM 0 HG2 MET A 15 18.918 6.383 3.323 1.00 1.00 H new ATOM 0 HG3 MET A 15 17.191 6.092 3.364 1.00 1.00 H new ATOM 0 HE1 MET A 15 17.740 7.502 -0.136 1.00 1.00 H new ATOM 0 HE2 MET A 15 18.038 6.108 0.930 1.00 1.00 H new ATOM 0 HE3 MET A 15 16.387 6.742 0.735 1.00 1.00 H new ATOM 233 N LYS A 16 16.118 5.555 6.671 1.00 1.00 N ATOM 234 CA LYS A 16 15.045 4.551 6.762 1.00 1.00 C ATOM 235 C LYS A 16 13.803 5.055 6.044 1.00 1.00 C ATOM 236 O LYS A 16 13.393 6.200 6.236 1.00 1.00 O ATOM 237 CB LYS A 16 14.697 4.290 8.236 1.00 1.00 C ATOM 238 CG LYS A 16 13.751 3.092 8.347 1.00 1.00 C ATOM 239 CD LYS A 16 13.500 2.782 9.824 1.00 1.00 C ATOM 240 CE LYS A 16 12.579 1.567 9.941 1.00 1.00 C ATOM 241 NZ LYS A 16 11.239 1.912 9.393 1.00 1.00 N ATOM 0 H LYS A 16 15.954 6.395 7.226 1.00 1.00 H new ATOM 0 HA LYS A 16 15.389 3.627 6.297 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.607 4.099 8.805 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.230 5.174 8.670 1.00 1.00 H new ATOM 0 HG2 LYS A 16 12.809 3.310 7.844 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.184 2.224 7.850 1.00 1.00 H new ATOM 0 HD2 LYS A 16 14.445 2.586 10.331 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.048 3.643 10.316 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.001 0.722 9.396 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.491 1.262 10.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 10.586 1.118 9.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.875 2.759 9.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 11.319 2.101 8.373 1.00 1.00 H new ATOM 255 N VAL A 17 13.193 4.189 5.230 1.00 1.00 N ATOM 256 CA VAL A 17 11.975 4.553 4.502 1.00 1.00 C ATOM 257 C VAL A 17 10.793 3.829 5.125 1.00 1.00 C ATOM 258 O VAL A 17 10.738 2.600 5.137 1.00 1.00 O ATOM 259 CB VAL A 17 12.112 4.166 3.033 1.00 1.00 C ATOM 260 CG1 VAL A 17 10.893 4.651 2.245 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.369 4.810 2.460 1.00 1.00 C ATOM 0 H VAL A 17 13.520 3.238 5.059 1.00 1.00 H new ATOM 0 HA VAL A 17 11.817 5.630 4.564 1.00 1.00 H new ATOM 0 HB VAL A 17 12.179 3.081 2.954 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.001 4.369 1.198 1.00 1.00 H new ATOM 0 HG12 VAL A 17 9.991 4.194 2.652 1.00 1.00 H new ATOM 0 HG13 VAL A 17 10.817 5.736 2.323 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.472 4.536 1.410 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.294 5.894 2.547 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.241 4.461 3.013 1.00 1.00 H new ATOM 271 N SER A 18 9.860 4.604 5.657 1.00 1.00 N ATOM 272 CA SER A 18 8.672 4.070 6.306 1.00 1.00 C ATOM 273 C SER A 18 7.538 3.955 5.286 1.00 1.00 C ATOM 274 O SER A 18 7.237 4.917 4.582 1.00 1.00 O ATOM 275 CB SER A 18 8.281 5.036 7.425 1.00 1.00 C ATOM 276 OG SER A 18 7.218 4.482 8.188 1.00 1.00 O ATOM 0 H SER A 18 9.905 5.623 5.651 1.00 1.00 H new ATOM 0 HA SER A 18 8.866 3.078 6.715 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.140 5.230 8.068 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.977 5.993 7.002 1.00 1.00 H new ATOM 0 HG SER A 18 6.972 5.103 8.905 1.00 1.00 H new ATOM 282 N LEU A 19 6.930 2.772 5.192 1.00 1.00 N ATOM 283 CA LEU A 19 5.852 2.539 4.236 1.00 1.00 C ATOM 284 C LEU A 19 5.168 1.205 4.496 1.00 1.00 C ATOM 285 O LEU A 19 5.739 0.318 5.114 1.00 1.00 O ATOM 286 CB LEU A 19 6.404 2.579 2.795 1.00 1.00 C ATOM 287 CG LEU A 19 7.316 1.370 2.481 1.00 1.00 C ATOM 288 CD1 LEU A 19 7.816 1.493 1.034 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.521 1.334 3.438 1.00 1.00 C ATOM 0 H LEU A 19 7.167 1.963 5.766 1.00 1.00 H new ATOM 0 HA LEU A 19 5.112 3.330 4.359 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.573 2.597 2.090 1.00 1.00 H new ATOM 0 HB3 LEU A 19 6.965 3.502 2.649 1.00 1.00 H new ATOM 0 HG LEU A 19 6.747 0.450 2.610 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.461 0.646 0.799 1.00 1.00 H new ATOM 0 HD12 LEU A 19 6.964 1.500 0.354 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.378 2.420 0.921 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.149 0.476 3.200 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.101 2.250 3.327 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.167 1.250 4.466 1.00 1.00 H new ATOM 301 N SER A 20 3.934 1.062 4.014 1.00 1.00 N ATOM 302 CA SER A 20 3.183 -0.188 4.198 1.00 1.00 C ATOM 303 C SER A 20 3.330 -1.081 2.971 1.00 1.00 C ATOM 304 O SER A 20 2.593 -0.933 1.995 1.00 1.00 O ATOM 305 CB SER A 20 1.703 0.117 4.427 1.00 1.00 C ATOM 306 OG SER A 20 1.022 -1.094 4.737 1.00 1.00 O ATOM 0 H SER A 20 3.434 1.786 3.498 1.00 1.00 H new ATOM 0 HA SER A 20 3.586 -0.706 5.068 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.588 0.833 5.241 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.271 0.575 3.537 1.00 1.00 H new ATOM 0 HG SER A 20 0.072 -0.906 4.887 1.00 1.00 H new ATOM 312 N GLU A 21 4.291 -2.013 3.029 1.00 1.00 N ATOM 313 CA GLU A 21 4.547 -2.951 1.925 1.00 1.00 C ATOM 314 C GLU A 21 4.525 -4.400 2.423 1.00 1.00 C ATOM 315 O GLU A 21 5.404 -5.192 2.077 1.00 1.00 O ATOM 316 CB GLU A 21 5.913 -2.646 1.298 1.00 1.00 C ATOM 317 CG GLU A 21 6.995 -2.645 2.381 1.00 1.00 C ATOM 318 CD GLU A 21 8.350 -2.336 1.758 1.00 1.00 C ATOM 319 OE1 GLU A 21 8.374 -1.683 0.728 1.00 1.00 O ATOM 320 OE2 GLU A 21 9.344 -2.767 2.316 1.00 1.00 O ATOM 0 H GLU A 21 4.907 -2.138 3.832 1.00 1.00 H new ATOM 0 HA GLU A 21 3.761 -2.829 1.179 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.148 -3.391 0.537 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.885 -1.678 0.798 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.758 -1.903 3.144 1.00 1.00 H new ATOM 0 HG3 GLU A 21 7.026 -3.615 2.878 1.00 1.00 H new ATOM 408 N SER A 27 9.981 -11.933 4.035 1.00 1.00 N ATOM 409 CA SER A 27 11.035 -12.473 3.202 1.00 1.00 C ATOM 410 C SER A 27 12.184 -11.479 3.100 1.00 1.00 C ATOM 411 O SER A 27 12.060 -10.425 2.477 1.00 1.00 O ATOM 412 CB SER A 27 10.487 -12.815 1.806 1.00 1.00 C ATOM 413 OG SER A 27 11.306 -13.812 1.215 1.00 1.00 O ATOM 0 HA SER A 27 11.411 -13.389 3.657 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.459 -13.170 1.882 1.00 1.00 H new ATOM 0 HB3 SER A 27 10.470 -11.923 1.180 1.00 1.00 H new ATOM 0 HG SER A 27 10.960 -14.035 0.326 1.00 1.00 H new ATOM 419 N PHE A 28 13.304 -11.824 3.731 1.00 1.00 N ATOM 420 CA PHE A 28 14.485 -10.965 3.725 1.00 1.00 C ATOM 421 C PHE A 28 15.486 -11.449 2.681 1.00 1.00 C ATOM 422 O PHE A 28 15.842 -12.625 2.640 1.00 1.00 O ATOM 423 CB PHE A 28 15.147 -10.998 5.111 1.00 1.00 C ATOM 424 CG PHE A 28 15.574 -12.418 5.446 1.00 1.00 C ATOM 425 CD1 PHE A 28 14.690 -13.281 6.110 1.00 1.00 C ATOM 426 CD2 PHE A 28 16.854 -12.871 5.092 1.00 1.00 C ATOM 427 CE1 PHE A 28 15.084 -14.590 6.417 1.00 1.00 C ATOM 428 CE2 PHE A 28 17.246 -14.181 5.400 1.00 1.00 C ATOM 429 CZ PHE A 28 16.360 -15.039 6.063 1.00 1.00 C ATOM 0 H PHE A 28 13.418 -12.693 4.253 1.00 1.00 H new ATOM 0 HA PHE A 28 14.179 -9.947 3.482 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.012 -10.335 5.126 1.00 1.00 H new ATOM 0 HB3 PHE A 28 14.451 -10.631 5.865 1.00 1.00 H new ATOM 0 HD1 PHE A 28 13.704 -12.936 6.385 1.00 1.00 H new ATOM 0 HD2 PHE A 28 17.538 -12.209 4.581 1.00 1.00 H new ATOM 0 HE1 PHE A 28 14.401 -15.253 6.928 1.00 1.00 H new ATOM 0 HE2 PHE A 28 18.231 -14.529 5.126 1.00 1.00 H new ATOM 0 HZ PHE A 28 16.662 -16.048 6.301 1.00 1.00 H new ATOM 439 N THR A 29 15.915 -10.530 1.821 1.00 1.00 N ATOM 440 CA THR A 29 16.860 -10.854 0.763 1.00 1.00 C ATOM 441 C THR A 29 17.430 -9.566 0.188 1.00 1.00 C ATOM 442 O THR A 29 16.728 -8.820 -0.495 1.00 1.00 O ATOM 443 CB THR A 29 16.153 -11.645 -0.346 1.00 1.00 C ATOM 444 OG1 THR A 29 15.456 -12.741 0.229 1.00 1.00 O ATOM 445 CG2 THR A 29 17.189 -12.166 -1.347 1.00 1.00 C ATOM 0 H THR A 29 15.621 -9.553 1.838 1.00 1.00 H new ATOM 0 HA THR A 29 17.667 -11.462 1.173 1.00 1.00 H new ATOM 0 HB THR A 29 15.448 -10.994 -0.863 1.00 1.00 H new ATOM 0 HG1 THR A 29 15.985 -13.116 0.964 1.00 1.00 H new ATOM 0 HG21 THR A 29 16.685 -12.727 -2.134 1.00 1.00 H new ATOM 0 HG22 THR A 29 17.724 -11.325 -1.788 1.00 1.00 H new ATOM 0 HG23 THR A 29 17.896 -12.817 -0.833 1.00 1.00 H new ATOM 453 N THR A 30 18.698 -9.296 0.480 1.00 1.00 N ATOM 454 CA THR A 30 19.337 -8.077 -0.007 1.00 1.00 C ATOM 455 C THR A 30 19.765 -8.237 -1.464 1.00 1.00 C ATOM 456 O THR A 30 20.496 -9.162 -1.816 1.00 1.00 O ATOM 457 CB THR A 30 20.562 -7.737 0.860 1.00 1.00 C ATOM 458 OG1 THR A 30 21.437 -6.890 0.127 1.00 1.00 O ATOM 459 CG2 THR A 30 21.303 -9.022 1.246 1.00 1.00 C ATOM 0 H THR A 30 19.299 -9.897 1.045 1.00 1.00 H new ATOM 0 HA THR A 30 18.614 -7.264 0.058 1.00 1.00 H new ATOM 0 HB THR A 30 20.230 -7.230 1.766 1.00 1.00 H new ATOM 0 HG1 THR A 30 20.959 -6.076 -0.138 1.00 1.00 H new ATOM 0 HG21 THR A 30 22.169 -8.772 1.860 1.00 1.00 H new ATOM 0 HG22 THR A 30 20.634 -9.672 1.810 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.634 -9.536 0.344 1.00 1.00 H new ATOM 467 N TYR A 31 19.298 -7.313 -2.302 1.00 1.00 N ATOM 468 CA TYR A 31 19.609 -7.307 -3.737 1.00 1.00 C ATOM 469 C TYR A 31 19.857 -5.878 -4.221 1.00 1.00 C ATOM 470 O TYR A 31 19.489 -4.917 -3.560 1.00 1.00 O ATOM 471 CB TYR A 31 18.454 -7.978 -4.526 1.00 1.00 C ATOM 472 CG TYR A 31 17.113 -7.642 -3.881 1.00 1.00 C ATOM 473 CD1 TYR A 31 16.625 -6.326 -3.904 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.356 -8.652 -3.258 1.00 1.00 C ATOM 475 CE1 TYR A 31 15.388 -6.031 -3.312 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.125 -8.348 -2.670 1.00 1.00 C ATOM 477 CZ TYR A 31 14.641 -7.041 -2.698 1.00 1.00 C ATOM 478 OH TYR A 31 13.422 -6.748 -2.125 1.00 1.00 O ATOM 0 H TYR A 31 18.693 -6.546 -2.009 1.00 1.00 H new ATOM 0 HA TYR A 31 20.521 -7.879 -3.912 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.464 -7.637 -5.561 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.596 -9.058 -4.545 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.200 -5.543 -4.376 1.00 1.00 H new ATOM 0 HD2 TYR A 31 16.728 -9.666 -3.234 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.011 -5.019 -3.331 1.00 1.00 H new ATOM 0 HE2 TYR A 31 14.548 -9.127 -2.193 1.00 1.00 H new ATOM 0 HH TYR A 31 13.164 -7.472 -1.517 1.00 1.00 H new ATOM 488 N THR A 32 20.464 -5.754 -5.394 1.00 1.00 N ATOM 489 CA THR A 32 20.739 -4.441 -5.980 1.00 1.00 C ATOM 490 C THR A 32 21.169 -4.594 -7.439 1.00 1.00 C ATOM 491 O THR A 32 22.209 -5.181 -7.725 1.00 1.00 O ATOM 492 CB THR A 32 21.844 -3.719 -5.181 1.00 1.00 C ATOM 493 OG1 THR A 32 22.454 -2.733 -6.003 1.00 1.00 O ATOM 494 CG2 THR A 32 22.902 -4.727 -4.720 1.00 1.00 C ATOM 0 H THR A 32 20.776 -6.543 -5.960 1.00 1.00 H new ATOM 0 HA THR A 32 19.827 -3.845 -5.939 1.00 1.00 H new ATOM 0 HB THR A 32 21.400 -3.244 -4.306 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.155 -2.273 -5.496 1.00 1.00 H new ATOM 0 HG21 THR A 32 23.678 -4.208 -4.157 1.00 1.00 H new ATOM 0 HG22 THR A 32 22.435 -5.480 -4.085 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.347 -5.211 -5.590 1.00 1.00 H new ATOM 502 N ALA A 33 20.363 -4.050 -8.356 1.00 1.00 N ATOM 503 CA ALA A 33 20.670 -4.123 -9.787 1.00 1.00 C ATOM 504 C ALA A 33 19.485 -3.615 -10.616 1.00 1.00 C ATOM 505 O ALA A 33 18.343 -4.017 -10.392 1.00 1.00 O ATOM 506 CB ALA A 33 21.000 -5.583 -10.193 1.00 1.00 C ATOM 0 H ALA A 33 19.498 -3.557 -8.134 1.00 1.00 H new ATOM 0 HA ALA A 33 21.537 -3.492 -9.983 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.226 -5.622 -11.259 1.00 1.00 H new ATOM 0 HB2 ALA A 33 21.863 -5.932 -9.626 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.143 -6.222 -9.980 1.00 1.00 H new ATOM 512 N ALA A 34 19.775 -2.763 -11.602 1.00 1.00 N ATOM 513 CA ALA A 34 18.740 -2.239 -12.496 1.00 1.00 C ATOM 514 C ALA A 34 18.484 -3.219 -13.642 1.00 1.00 C ATOM 515 O ALA A 34 19.384 -3.538 -14.419 1.00 1.00 O ATOM 516 CB ALA A 34 19.180 -0.887 -13.059 1.00 1.00 C ATOM 0 H ALA A 34 20.715 -2.422 -11.801 1.00 1.00 H new ATOM 0 HA ALA A 34 17.817 -2.111 -11.930 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.407 -0.501 -13.724 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.338 -0.186 -12.240 1.00 1.00 H new ATOM 0 HB3 ALA A 34 20.109 -1.010 -13.616 1.00 1.00 H new ATOM 522 N GLN A 35 17.242 -3.684 -13.735 1.00 1.00 N ATOM 523 CA GLN A 35 16.851 -4.622 -14.786 1.00 1.00 C ATOM 524 C GLN A 35 15.335 -4.766 -14.845 1.00 1.00 C ATOM 525 O GLN A 35 14.622 -4.311 -13.952 1.00 1.00 O ATOM 526 CB GLN A 35 17.498 -5.988 -14.545 1.00 1.00 C ATOM 527 CG GLN A 35 17.087 -6.521 -13.173 1.00 1.00 C ATOM 528 CD GLN A 35 17.839 -7.813 -12.872 1.00 1.00 C ATOM 529 OE1 GLN A 35 17.266 -8.899 -12.955 1.00 1.00 O ATOM 530 NE2 GLN A 35 19.096 -7.761 -12.527 1.00 1.00 N ATOM 0 H GLN A 35 16.489 -3.428 -13.097 1.00 1.00 H new ATOM 0 HA GLN A 35 17.198 -4.228 -15.741 1.00 1.00 H new ATOM 0 HB2 GLN A 35 17.193 -6.687 -15.323 1.00 1.00 H new ATOM 0 HB3 GLN A 35 18.583 -5.902 -14.602 1.00 1.00 H new ATOM 0 HG2 GLN A 35 17.302 -5.778 -12.405 1.00 1.00 H new ATOM 0 HG3 GLN A 35 16.012 -6.702 -13.150 1.00 1.00 H new ATOM 0 HE21 GLN A 35 19.569 -6.860 -12.459 1.00 1.00 H new ATOM 0 HE22 GLN A 35 19.606 -8.621 -12.326 1.00 1.00 H new ATOM 539 N GLU A 36 14.846 -5.405 -15.906 1.00 1.00 N ATOM 540 CA GLU A 36 13.408 -5.607 -16.074 1.00 1.00 C ATOM 541 C GLU A 36 12.934 -6.754 -15.186 1.00 1.00 C ATOM 542 O GLU A 36 13.629 -7.758 -15.026 1.00 1.00 O ATOM 543 CB GLU A 36 13.091 -5.916 -17.545 1.00 1.00 C ATOM 544 CG GLU A 36 11.570 -5.925 -17.778 1.00 1.00 C ATOM 545 CD GLU A 36 11.005 -4.513 -17.638 1.00 1.00 C ATOM 546 OE1 GLU A 36 11.772 -3.575 -17.765 1.00 1.00 O ATOM 547 OE2 GLU A 36 9.812 -4.394 -17.404 1.00 1.00 O ATOM 0 H GLU A 36 15.419 -5.789 -16.657 1.00 1.00 H new ATOM 0 HA GLU A 36 12.886 -4.696 -15.782 1.00 1.00 H new ATOM 0 HB2 GLU A 36 13.559 -5.171 -18.188 1.00 1.00 H new ATOM 0 HB3 GLU A 36 13.513 -6.883 -17.819 1.00 1.00 H new ATOM 0 HG2 GLU A 36 11.350 -6.316 -18.771 1.00 1.00 H new ATOM 0 HG3 GLU A 36 11.089 -6.590 -17.060 1.00 1.00 H new ATOM 554 N GLY A 37 11.738 -6.597 -14.616 1.00 1.00 N ATOM 555 CA GLY A 37 11.149 -7.620 -13.746 1.00 1.00 C ATOM 556 C GLY A 37 11.402 -7.320 -12.270 1.00 1.00 C ATOM 557 O GLY A 37 10.626 -7.735 -11.410 1.00 1.00 O ATOM 0 H GLY A 37 11.156 -5.769 -14.741 1.00 1.00 H new ATOM 0 HA2 GLY A 37 10.076 -7.678 -13.927 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.567 -8.595 -13.996 1.00 1.00 H new ATOM 561 N GLN A 38 12.493 -6.604 -11.970 1.00 1.00 N ATOM 562 CA GLN A 38 12.835 -6.266 -10.580 1.00 1.00 C ATOM 563 C GLN A 38 12.207 -4.912 -10.187 1.00 1.00 C ATOM 564 O GLN A 38 12.078 -4.031 -11.038 1.00 1.00 O ATOM 565 CB GLN A 38 14.366 -6.183 -10.427 1.00 1.00 C ATOM 566 CG GLN A 38 14.979 -7.585 -10.546 1.00 1.00 C ATOM 567 CD GLN A 38 16.479 -7.532 -10.273 1.00 1.00 C ATOM 568 OE1 GLN A 38 17.045 -6.450 -10.112 1.00 1.00 O ATOM 569 NE2 GLN A 38 17.160 -8.645 -10.210 1.00 1.00 N ATOM 0 H GLN A 38 13.151 -6.249 -12.664 1.00 1.00 H new ATOM 0 HA GLN A 38 12.442 -7.043 -9.925 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.782 -5.528 -11.193 1.00 1.00 H new ATOM 0 HB3 GLN A 38 14.621 -5.746 -9.462 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.498 -8.261 -9.839 1.00 1.00 H new ATOM 0 HG3 GLN A 38 14.798 -7.985 -11.544 1.00 1.00 H new ATOM 0 HE21 GLN A 38 16.689 -9.540 -10.344 1.00 1.00 H new ATOM 0 HE22 GLN A 38 18.163 -8.619 -10.027 1.00 1.00 H new ATOM 578 N PRO A 39 11.829 -4.709 -8.935 1.00 1.00 N ATOM 579 CA PRO A 39 11.227 -3.410 -8.495 1.00 1.00 C ATOM 580 C PRO A 39 11.972 -2.182 -9.034 1.00 1.00 C ATOM 581 O PRO A 39 13.190 -2.063 -8.898 1.00 1.00 O ATOM 582 CB PRO A 39 11.340 -3.466 -6.957 1.00 1.00 C ATOM 583 CG PRO A 39 11.300 -4.925 -6.609 1.00 1.00 C ATOM 584 CD PRO A 39 11.906 -5.677 -7.815 1.00 1.00 C ATOM 0 HA PRO A 39 10.209 -3.301 -8.868 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.266 -3.005 -6.614 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.521 -2.926 -6.483 1.00 1.00 H new ATOM 0 HG2 PRO A 39 11.870 -5.124 -5.701 1.00 1.00 H new ATOM 0 HG3 PRO A 39 10.277 -5.252 -6.421 1.00 1.00 H new ATOM 0 HD2 PRO A 39 12.936 -5.976 -7.619 1.00 1.00 H new ATOM 0 HD3 PRO A 39 11.347 -6.586 -8.037 1.00 1.00 H new ATOM 592 N GLU A 40 11.213 -1.276 -9.635 1.00 1.00 N ATOM 593 CA GLU A 40 11.779 -0.050 -10.183 1.00 1.00 C ATOM 594 C GLU A 40 12.418 0.785 -9.071 1.00 1.00 C ATOM 595 O GLU A 40 13.285 1.613 -9.335 1.00 1.00 O ATOM 596 CB GLU A 40 10.683 0.778 -10.873 1.00 1.00 C ATOM 597 CG GLU A 40 10.156 0.040 -12.110 1.00 1.00 C ATOM 598 CD GLU A 40 11.237 -0.049 -13.182 1.00 1.00 C ATOM 599 OE1 GLU A 40 12.163 0.744 -13.131 1.00 1.00 O ATOM 600 OE2 GLU A 40 11.123 -0.910 -14.041 1.00 1.00 O ATOM 0 H GLU A 40 10.204 -1.366 -9.756 1.00 1.00 H new ATOM 0 HA GLU A 40 12.542 -0.321 -10.913 1.00 1.00 H new ATOM 0 HB2 GLU A 40 9.865 0.964 -10.176 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.081 1.750 -11.164 1.00 1.00 H new ATOM 0 HG2 GLU A 40 9.829 -0.962 -11.831 1.00 1.00 H new ATOM 0 HG3 GLU A 40 9.284 0.560 -12.507 1.00 1.00 H new ATOM 607 N PHE A 41 11.980 0.576 -7.831 1.00 1.00 N ATOM 608 CA PHE A 41 12.517 1.338 -6.709 1.00 1.00 C ATOM 609 C PHE A 41 14.008 1.078 -6.557 1.00 1.00 C ATOM 610 O PHE A 41 14.808 2.008 -6.442 1.00 1.00 O ATOM 611 CB PHE A 41 11.782 0.939 -5.422 1.00 1.00 C ATOM 612 CG PHE A 41 10.327 1.359 -5.522 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.951 2.664 -5.177 1.00 1.00 C ATOM 614 CD2 PHE A 41 9.356 0.448 -5.964 1.00 1.00 C ATOM 615 CE1 PHE A 41 8.609 3.055 -5.272 1.00 1.00 C ATOM 616 CE2 PHE A 41 8.015 0.841 -6.059 1.00 1.00 C ATOM 617 CZ PHE A 41 7.642 2.144 -5.713 1.00 1.00 C ATOM 0 H PHE A 41 11.264 -0.106 -7.581 1.00 1.00 H new ATOM 0 HA PHE A 41 12.368 2.401 -6.898 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.851 -0.138 -5.269 1.00 1.00 H new ATOM 0 HB3 PHE A 41 12.251 1.414 -4.560 1.00 1.00 H new ATOM 0 HD1 PHE A 41 10.696 3.369 -4.838 1.00 1.00 H new ATOM 0 HD2 PHE A 41 9.643 -0.558 -6.232 1.00 1.00 H new ATOM 0 HE1 PHE A 41 8.320 4.061 -5.005 1.00 1.00 H new ATOM 0 HE2 PHE A 41 7.269 0.138 -6.399 1.00 1.00 H new ATOM 0 HZ PHE A 41 6.608 2.447 -5.786 1.00 1.00 H new ATOM 627 N ILE A 42 14.375 -0.194 -6.570 1.00 1.00 N ATOM 628 CA ILE A 42 15.775 -0.589 -6.447 1.00 1.00 C ATOM 629 C ILE A 42 16.554 -0.190 -7.694 1.00 1.00 C ATOM 630 O ILE A 42 17.707 0.230 -7.607 1.00 1.00 O ATOM 631 CB ILE A 42 15.875 -2.122 -6.191 1.00 1.00 C ATOM 632 CG1 ILE A 42 15.577 -2.450 -4.688 1.00 1.00 C ATOM 633 CG2 ILE A 42 17.293 -2.644 -6.567 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.090 -2.733 -4.467 1.00 1.00 C ATOM 0 H ILE A 42 13.724 -0.974 -6.664 1.00 1.00 H new ATOM 0 HA ILE A 42 16.216 -0.069 -5.597 1.00 1.00 H new ATOM 0 HB ILE A 42 15.133 -2.619 -6.816 1.00 1.00 H new ATOM 0 HG12 ILE A 42 16.164 -3.315 -4.379 1.00 1.00 H new ATOM 0 HG13 ILE A 42 15.887 -1.613 -4.062 1.00 1.00 H new ATOM 0 HG21 ILE A 42 17.347 -3.717 -6.382 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.485 -2.447 -7.622 1.00 1.00 H new ATOM 0 HG23 ILE A 42 18.041 -2.134 -5.961 1.00 1.00 H new ATOM 0 HD11 ILE A 42 13.915 -2.957 -3.415 1.00 1.00 H new ATOM 0 HD12 ILE A 42 13.507 -1.858 -4.754 1.00 1.00 H new ATOM 0 HD13 ILE A 42 13.788 -3.586 -5.075 1.00 1.00 H new ATOM 646 N ASN A 43 15.944 -0.364 -8.848 1.00 1.00 N ATOM 647 CA ASN A 43 16.625 -0.054 -10.092 1.00 1.00 C ATOM 648 C ASN A 43 17.061 1.403 -10.124 1.00 1.00 C ATOM 649 O ASN A 43 18.132 1.724 -10.641 1.00 1.00 O ATOM 650 CB ASN A 43 15.707 -0.347 -11.283 1.00 1.00 C ATOM 651 CG ASN A 43 15.232 -1.797 -11.234 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.862 -2.636 -10.591 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.148 -2.141 -11.878 1.00 1.00 N ATOM 0 H ASN A 43 14.991 -0.713 -8.953 1.00 1.00 H new ATOM 0 HA ASN A 43 17.513 -0.682 -10.158 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.849 0.326 -11.265 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.239 -0.161 -12.216 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.822 -3.107 -11.848 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.628 -1.443 -12.410 1.00 1.00 H new ATOM 660 N ARG A 44 16.237 2.284 -9.573 1.00 1.00 N ATOM 661 CA ARG A 44 16.569 3.698 -9.557 1.00 1.00 C ATOM 662 C ARG A 44 17.829 3.937 -8.731 1.00 1.00 C ATOM 663 O ARG A 44 18.672 4.749 -9.099 1.00 1.00 O ATOM 664 CB ARG A 44 15.381 4.479 -8.975 1.00 1.00 C ATOM 665 CG ARG A 44 14.185 4.466 -9.959 1.00 1.00 C ATOM 666 CD ARG A 44 14.310 5.574 -11.013 1.00 1.00 C ATOM 667 NE ARG A 44 13.235 5.459 -11.993 1.00 1.00 N ATOM 668 CZ ARG A 44 13.013 6.419 -12.886 1.00 1.00 C ATOM 669 NH1 ARG A 44 13.756 7.493 -12.888 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.054 6.290 -13.761 1.00 1.00 N ATOM 0 H ARG A 44 15.346 2.047 -9.137 1.00 1.00 H new ATOM 0 HA ARG A 44 16.765 4.042 -10.572 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.081 4.039 -8.024 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.680 5.507 -8.771 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.131 3.496 -10.454 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.255 4.593 -9.405 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.270 6.551 -10.531 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.276 5.504 -11.512 1.00 1.00 H new ATOM 0 HE ARG A 44 12.644 4.628 -11.993 1.00 1.00 H new ATOM 0 HH11 ARG A 44 14.506 7.595 -12.205 1.00 1.00 H new ATOM 0 HH12 ARG A 44 13.586 8.230 -13.573 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.473 5.452 -13.761 1.00 1.00 H new ATOM 0 HH22 ARG A 44 11.885 7.027 -14.445 1.00 1.00 H new ATOM 684 N LEU A 45 17.950 3.237 -7.613 1.00 1.00 N ATOM 685 CA LEU A 45 19.108 3.395 -6.743 1.00 1.00 C ATOM 686 C LEU A 45 20.404 3.008 -7.467 1.00 1.00 C ATOM 687 O LEU A 45 21.419 3.689 -7.325 1.00 1.00 O ATOM 688 CB LEU A 45 18.910 2.526 -5.473 1.00 1.00 C ATOM 689 CG LEU A 45 17.995 3.247 -4.441 1.00 1.00 C ATOM 690 CD1 LEU A 45 17.415 2.220 -3.449 1.00 1.00 C ATOM 691 CD2 LEU A 45 18.791 4.304 -3.648 1.00 1.00 C ATOM 0 H LEU A 45 17.264 2.556 -7.287 1.00 1.00 H new ATOM 0 HA LEU A 45 19.196 4.443 -6.458 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.469 1.568 -5.749 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.878 2.313 -5.019 1.00 1.00 H new ATOM 0 HG LEU A 45 17.190 3.738 -4.988 1.00 1.00 H new ATOM 0 HD11 LEU A 45 16.775 2.731 -2.729 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.829 1.479 -3.993 1.00 1.00 H new ATOM 0 HD13 LEU A 45 18.230 1.723 -2.922 1.00 1.00 H new ATOM 0 HD21 LEU A 45 18.131 4.795 -2.933 1.00 1.00 H new ATOM 0 HD22 LEU A 45 19.608 3.819 -3.114 1.00 1.00 H new ATOM 0 HD23 LEU A 45 19.197 5.046 -4.336 1.00 1.00 H new ATOM 703 N PHE A 46 20.377 1.926 -8.245 1.00 1.00 N ATOM 704 CA PHE A 46 21.566 1.489 -8.965 1.00 1.00 C ATOM 705 C PHE A 46 21.882 2.434 -10.128 1.00 1.00 C ATOM 706 O PHE A 46 22.703 2.122 -10.991 1.00 1.00 O ATOM 707 CB PHE A 46 21.328 0.071 -9.493 1.00 1.00 C ATOM 708 CG PHE A 46 22.603 -0.472 -10.100 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.620 -0.940 -9.260 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.773 -0.511 -11.493 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.804 -1.444 -9.807 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.959 -1.014 -12.039 1.00 1.00 C ATOM 713 CZ PHE A 46 24.975 -1.481 -11.196 1.00 1.00 C ATOM 0 H PHE A 46 19.552 1.343 -8.390 1.00 1.00 H new ATOM 0 HA PHE A 46 22.418 1.499 -8.286 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.996 -0.577 -8.682 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.534 0.080 -10.240 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.490 -0.912 -8.188 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.988 -0.153 -12.143 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.587 -1.805 -9.157 1.00 1.00 H new ATOM 0 HE2 PHE A 46 24.091 -1.042 -13.111 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.890 -1.870 -11.617 1.00 1.00 H new ATOM 723 N GLU A 47 21.230 3.600 -10.132 1.00 1.00 N ATOM 724 CA GLU A 47 21.450 4.604 -11.185 1.00 1.00 C ATOM 725 C GLU A 47 22.581 5.553 -10.790 1.00 1.00 C ATOM 726 O GLU A 47 23.194 6.187 -11.649 1.00 1.00 O ATOM 727 CB GLU A 47 20.167 5.419 -11.426 1.00 1.00 C ATOM 728 CG GLU A 47 20.328 6.293 -12.678 1.00 1.00 C ATOM 729 CD GLU A 47 19.027 7.038 -12.972 1.00 1.00 C ATOM 730 OE1 GLU A 47 18.011 6.663 -12.410 1.00 1.00 O ATOM 731 OE2 GLU A 47 19.067 7.971 -13.759 1.00 1.00 O ATOM 0 H GLU A 47 20.549 3.874 -9.424 1.00 1.00 H new ATOM 0 HA GLU A 47 21.722 4.079 -12.101 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.317 4.747 -11.548 1.00 1.00 H new ATOM 0 HB3 GLU A 47 19.956 6.046 -10.559 1.00 1.00 H new ATOM 0 HG2 GLU A 47 21.139 7.006 -12.531 1.00 1.00 H new ATOM 0 HG3 GLU A 47 20.601 5.672 -13.531 1.00 1.00 H new ATOM 738 N ILE A 48 22.851 5.650 -9.480 1.00 1.00 N ATOM 739 CA ILE A 48 23.910 6.536 -8.961 1.00 1.00 C ATOM 740 C ILE A 48 24.942 5.749 -8.171 1.00 1.00 C ATOM 741 O ILE A 48 24.606 4.826 -7.429 1.00 1.00 O ATOM 742 CB ILE A 48 23.287 7.602 -8.048 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.577 6.929 -6.820 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.280 8.420 -8.872 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.443 7.049 -5.554 1.00 1.00 C ATOM 0 H ILE A 48 22.353 5.128 -8.759 1.00 1.00 H new ATOM 0 HA ILE A 48 24.405 7.008 -9.810 1.00 1.00 H new ATOM 0 HB ILE A 48 24.067 8.258 -7.661 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.609 7.401 -6.650 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.385 5.878 -7.036 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.827 9.183 -8.239 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.795 8.898 -9.705 1.00 1.00 H new ATOM 0 HG23 ILE A 48 21.503 7.759 -9.257 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.931 6.576 -4.716 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.400 6.555 -5.720 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.612 8.102 -5.328 1.00 1.00 H new ATOM 757 N GLU A 49 26.202 6.130 -8.333 1.00 1.00 N ATOM 758 CA GLU A 49 27.288 5.466 -7.630 1.00 1.00 C ATOM 759 C GLU A 49 27.191 5.700 -6.130 1.00 1.00 C ATOM 760 O GLU A 49 26.795 6.779 -5.685 1.00 1.00 O ATOM 761 CB GLU A 49 28.636 5.992 -8.140 1.00 1.00 C ATOM 762 CG GLU A 49 28.832 7.469 -7.734 1.00 1.00 C ATOM 763 CD GLU A 49 30.056 8.039 -8.446 1.00 1.00 C ATOM 764 OE1 GLU A 49 30.985 7.282 -8.681 1.00 1.00 O ATOM 765 OE2 GLU A 49 30.047 9.221 -8.748 1.00 1.00 O ATOM 0 H GLU A 49 26.495 6.893 -8.943 1.00 1.00 H new ATOM 0 HA GLU A 49 27.212 4.396 -7.821 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.446 5.387 -7.733 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.682 5.898 -9.225 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.946 8.048 -7.993 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.959 7.546 -6.654 1.00 1.00 H new ATOM 772 N GLY A 50 27.585 4.690 -5.354 1.00 1.00 N ATOM 773 CA GLY A 50 27.576 4.782 -3.892 1.00 1.00 C ATOM 774 C GLY A 50 26.769 3.657 -3.266 1.00 1.00 C ATOM 775 O GLY A 50 27.097 3.198 -2.176 1.00 1.00 O ATOM 0 H GLY A 50 27.916 3.795 -5.714 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.599 4.748 -3.518 1.00 1.00 H new ATOM 0 HA3 GLY A 50 27.158 5.742 -3.590 1.00 1.00 H new ATOM 779 N VAL A 51 25.715 3.210 -3.947 1.00 1.00 N ATOM 780 CA VAL A 51 24.890 2.144 -3.401 1.00 1.00 C ATOM 781 C VAL A 51 25.700 0.863 -3.268 1.00 1.00 C ATOM 782 O VAL A 51 26.113 0.266 -4.262 1.00 1.00 O ATOM 783 CB VAL A 51 23.688 1.914 -4.319 1.00 1.00 C ATOM 784 CG1 VAL A 51 22.695 0.959 -3.654 1.00 1.00 C ATOM 785 CG2 VAL A 51 23.003 3.257 -4.589 1.00 1.00 C ATOM 0 H VAL A 51 25.420 3.563 -4.857 1.00 1.00 H new ATOM 0 HA VAL A 51 24.540 2.433 -2.410 1.00 1.00 H new ATOM 0 HB VAL A 51 24.027 1.474 -5.257 1.00 1.00 H new ATOM 0 HG11 VAL A 51 21.843 0.802 -4.315 1.00 1.00 H new ATOM 0 HG12 VAL A 51 23.184 0.004 -3.458 1.00 1.00 H new ATOM 0 HG13 VAL A 51 22.350 1.389 -2.714 1.00 1.00 H new ATOM 0 HG21 VAL A 51 22.145 3.103 -5.243 1.00 1.00 H new ATOM 0 HG22 VAL A 51 22.668 3.691 -3.647 1.00 1.00 H new ATOM 0 HG23 VAL A 51 23.708 3.935 -5.070 1.00 1.00 H new ATOM 795 N LYS A 52 25.918 0.444 -2.021 1.00 1.00 N ATOM 796 CA LYS A 52 26.673 -0.773 -1.735 1.00 1.00 C ATOM 797 C LYS A 52 25.738 -1.973 -1.739 1.00 1.00 C ATOM 798 O LYS A 52 26.027 -2.994 -2.361 1.00 1.00 O ATOM 799 CB LYS A 52 27.350 -0.652 -0.365 1.00 1.00 C ATOM 800 CG LYS A 52 28.290 -1.847 -0.139 1.00 1.00 C ATOM 801 CD LYS A 52 28.945 -1.762 1.251 1.00 1.00 C ATOM 802 CE LYS A 52 29.948 -0.595 1.323 1.00 1.00 C ATOM 803 NZ LYS A 52 30.858 -0.810 2.482 1.00 1.00 N ATOM 0 H LYS A 52 25.581 0.932 -1.192 1.00 1.00 H new ATOM 0 HA LYS A 52 27.435 -0.909 -2.503 1.00 1.00 H new ATOM 0 HB2 LYS A 52 27.912 0.280 -0.309 1.00 1.00 H new ATOM 0 HB3 LYS A 52 26.596 -0.617 0.421 1.00 1.00 H new ATOM 0 HG2 LYS A 52 27.731 -2.779 -0.228 1.00 1.00 H new ATOM 0 HG3 LYS A 52 29.060 -1.862 -0.910 1.00 1.00 H new ATOM 0 HD2 LYS A 52 28.175 -1.631 2.011 1.00 1.00 H new ATOM 0 HD3 LYS A 52 29.456 -2.699 1.473 1.00 1.00 H new ATOM 0 HE2 LYS A 52 30.523 -0.535 0.399 1.00 1.00 H new ATOM 0 HE3 LYS A 52 29.418 0.351 1.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.539 -0.026 2.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 30.300 -0.848 3.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 31.371 -1.706 2.359 1.00 1.00 H new ATOM 817 N SER A 53 24.603 -1.839 -1.048 1.00 1.00 N ATOM 818 CA SER A 53 23.621 -2.915 -0.987 1.00 1.00 C ATOM 819 C SER A 53 22.289 -2.379 -0.478 1.00 1.00 C ATOM 820 O SER A 53 22.214 -1.268 0.047 1.00 1.00 O ATOM 821 CB SER A 53 24.111 -4.033 -0.071 1.00 1.00 C ATOM 822 OG SER A 53 24.412 -3.492 1.209 1.00 1.00 O ATOM 0 H SER A 53 24.346 -1.000 -0.527 1.00 1.00 H new ATOM 0 HA SER A 53 23.486 -3.317 -1.991 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.348 -4.806 0.018 1.00 1.00 H new ATOM 0 HB3 SER A 53 24.996 -4.506 -0.496 1.00 1.00 H new ATOM 0 HG SER A 53 24.725 -4.207 1.801 1.00 1.00 H new ATOM 828 N ILE A 54 21.241 -3.190 -0.627 1.00 1.00 N ATOM 829 CA ILE A 54 19.894 -2.816 -0.172 1.00 1.00 C ATOM 830 C ILE A 54 19.276 -3.974 0.596 1.00 1.00 C ATOM 831 O ILE A 54 19.599 -5.131 0.348 1.00 1.00 O ATOM 832 CB ILE A 54 19.000 -2.460 -1.366 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.674 -1.362 -2.208 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.641 -1.952 -0.855 1.00 1.00 C ATOM 835 CD1 ILE A 54 18.904 -1.162 -3.513 1.00 1.00 C ATOM 0 H ILE A 54 21.295 -4.112 -1.059 1.00 1.00 H new ATOM 0 HA ILE A 54 19.975 -1.944 0.477 1.00 1.00 H new ATOM 0 HB ILE A 54 18.850 -3.347 -1.982 1.00 1.00 H new ATOM 0 HG12 ILE A 54 19.704 -0.428 -1.647 1.00 1.00 H new ATOM 0 HG13 ILE A 54 20.706 -1.638 -2.423 1.00 1.00 H new ATOM 0 HG21 ILE A 54 17.005 -1.699 -1.703 1.00 1.00 H new ATOM 0 HG22 ILE A 54 17.161 -2.730 -0.261 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.792 -1.066 -0.238 1.00 1.00 H new ATOM 0 HD11 ILE A 54 19.386 -0.384 -4.104 1.00 1.00 H new ATOM 0 HD12 ILE A 54 18.897 -2.094 -4.078 1.00 1.00 H new ATOM 0 HD13 ILE A 54 17.879 -0.865 -3.289 1.00 1.00 H new ATOM 847 N PHE A 55 18.395 -3.644 1.538 1.00 1.00 N ATOM 848 CA PHE A 55 17.714 -4.644 2.369 1.00 1.00 C ATOM 849 C PHE A 55 16.203 -4.493 2.248 1.00 1.00 C ATOM 850 O PHE A 55 15.665 -3.398 2.404 1.00 1.00 O ATOM 851 CB PHE A 55 18.115 -4.457 3.832 1.00 1.00 C ATOM 852 CG PHE A 55 19.614 -4.638 3.971 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.152 -5.918 4.166 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.466 -3.526 3.903 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.536 -6.084 4.293 1.00 1.00 C ATOM 856 CE2 PHE A 55 21.849 -3.694 4.030 1.00 1.00 C ATOM 857 CZ PHE A 55 22.385 -4.973 4.225 1.00 1.00 C ATOM 0 H PHE A 55 18.131 -2.681 1.749 1.00 1.00 H new ATOM 0 HA PHE A 55 18.006 -5.637 2.026 1.00 1.00 H new ATOM 0 HB2 PHE A 55 17.824 -3.465 4.176 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.591 -5.178 4.459 1.00 1.00 H new ATOM 0 HD1 PHE A 55 19.498 -6.776 4.218 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.054 -2.539 3.752 1.00 1.00 H new ATOM 0 HE1 PHE A 55 21.949 -7.070 4.444 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.504 -2.837 3.978 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.453 -5.102 4.323 1.00 1.00 H new ATOM 867 N TYR A 56 15.523 -5.613 1.991 1.00 1.00 N ATOM 868 CA TYR A 56 14.060 -5.637 1.870 1.00 1.00 C ATOM 869 C TYR A 56 13.485 -6.636 2.872 1.00 1.00 C ATOM 870 O TYR A 56 13.686 -7.834 2.732 1.00 1.00 O ATOM 871 CB TYR A 56 13.666 -6.025 0.437 1.00 1.00 C ATOM 872 CG TYR A 56 12.166 -6.271 0.359 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.272 -5.228 0.642 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.669 -7.543 0.023 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.894 -5.455 0.587 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.291 -7.762 -0.034 1.00 1.00 C ATOM 877 CZ TYR A 56 9.405 -6.719 0.249 1.00 1.00 C ATOM 878 OH TYR A 56 8.047 -6.936 0.195 1.00 1.00 O ATOM 0 H TYR A 56 15.965 -6.523 1.861 1.00 1.00 H new ATOM 0 HA TYR A 56 13.656 -4.648 2.086 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.949 -5.231 -0.254 1.00 1.00 H new ATOM 0 HB3 TYR A 56 14.206 -6.921 0.132 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.648 -4.250 0.902 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.353 -8.351 -0.191 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.206 -4.652 0.806 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.910 -8.738 -0.297 1.00 1.00 H new ATOM 0 HH TYR A 56 7.874 -7.867 -0.056 1.00 1.00 H new ATOM 888 N VAL A 57 12.756 -6.134 3.872 1.00 1.00 N ATOM 889 CA VAL A 57 12.151 -7.002 4.880 1.00 1.00 C ATOM 890 C VAL A 57 11.100 -6.234 5.682 1.00 1.00 C ATOM 891 O VAL A 57 11.220 -5.025 5.880 1.00 1.00 O ATOM 892 CB VAL A 57 13.235 -7.562 5.811 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.929 -6.421 6.556 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.603 -8.524 6.822 1.00 1.00 C ATOM 0 H VAL A 57 12.573 -5.139 4.003 1.00 1.00 H new ATOM 0 HA VAL A 57 11.658 -7.834 4.378 1.00 1.00 H new ATOM 0 HB VAL A 57 13.972 -8.097 5.212 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.696 -6.829 7.214 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.390 -5.744 5.837 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.196 -5.875 7.149 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.376 -8.919 7.481 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.859 -7.992 7.414 1.00 1.00 H new ATOM 0 HG23 VAL A 57 12.124 -9.346 6.291 1.00 1.00 H new ATOM 904 N LEU A 58 10.082 -6.943 6.156 1.00 1.00 N ATOM 905 CA LEU A 58 9.027 -6.315 6.951 1.00 1.00 C ATOM 906 C LEU A 58 8.335 -5.202 6.149 1.00 1.00 C ATOM 907 O LEU A 58 8.238 -5.275 4.926 1.00 1.00 O ATOM 908 CB LEU A 58 9.634 -5.781 8.294 1.00 1.00 C ATOM 909 CG LEU A 58 8.796 -6.230 9.515 1.00 1.00 C ATOM 910 CD1 LEU A 58 9.524 -5.850 10.809 1.00 1.00 C ATOM 911 CD2 LEU A 58 7.421 -5.540 9.491 1.00 1.00 C ATOM 0 H LEU A 58 9.963 -7.945 6.007 1.00 1.00 H new ATOM 0 HA LEU A 58 8.263 -7.053 7.193 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.657 -6.142 8.401 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.682 -4.692 8.265 1.00 1.00 H new ATOM 0 HG LEU A 58 8.661 -7.311 9.472 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.931 -6.168 11.667 1.00 1.00 H new ATOM 0 HD12 LEU A 58 10.496 -6.342 10.838 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.663 -4.770 10.844 1.00 1.00 H new ATOM 0 HD21 LEU A 58 6.837 -5.861 10.354 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.556 -4.459 9.526 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.894 -5.810 8.576 1.00 1.00 H new ATOM 923 N ASP A 59 7.861 -4.172 6.850 1.00 1.00 N ATOM 924 CA ASP A 59 7.182 -3.044 6.222 1.00 1.00 C ATOM 925 C ASP A 59 8.130 -1.860 6.074 1.00 1.00 C ATOM 926 O ASP A 59 7.685 -0.744 5.869 1.00 1.00 O ATOM 927 CB ASP A 59 5.977 -2.627 7.071 1.00 1.00 C ATOM 928 CG ASP A 59 6.419 -2.315 8.497 1.00 1.00 C ATOM 929 OD1 ASP A 59 7.613 -2.190 8.716 1.00 1.00 O ATOM 930 OD2 ASP A 59 5.555 -2.204 9.351 1.00 1.00 O ATOM 0 H ASP A 59 7.937 -4.098 7.864 1.00 1.00 H new ATOM 0 HA ASP A 59 6.846 -3.352 5.232 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.499 -1.752 6.631 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.235 -3.425 7.079 1.00 1.00 H new ATOM 935 N PHE A 60 9.440 -2.090 6.210 1.00 1.00 N ATOM 936 CA PHE A 60 10.427 -1.000 6.096 1.00 1.00 C ATOM 937 C PHE A 60 11.668 -1.503 5.359 1.00 1.00 C ATOM 938 O PHE A 60 11.949 -2.703 5.351 1.00 1.00 O ATOM 939 CB PHE A 60 10.847 -0.501 7.498 1.00 1.00 C ATOM 940 CG PHE A 60 11.768 -1.511 8.173 1.00 1.00 C ATOM 941 CD1 PHE A 60 13.146 -1.474 7.904 1.00 1.00 C ATOM 942 CD2 PHE A 60 11.254 -2.477 9.046 1.00 1.00 C ATOM 943 CE1 PHE A 60 14.004 -2.399 8.508 1.00 1.00 C ATOM 944 CE2 PHE A 60 12.118 -3.403 9.649 1.00 1.00 C ATOM 945 CZ PHE A 60 13.491 -3.362 9.380 1.00 1.00 C ATOM 0 H PHE A 60 9.843 -3.008 6.397 1.00 1.00 H new ATOM 0 HA PHE A 60 9.971 -0.179 5.543 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.354 0.460 7.411 1.00 1.00 H new ATOM 0 HB3 PHE A 60 9.962 -0.340 8.113 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.544 -0.730 7.230 1.00 1.00 H new ATOM 0 HD2 PHE A 60 10.195 -2.509 9.255 1.00 1.00 H new ATOM 0 HE1 PHE A 60 15.063 -2.369 8.300 1.00 1.00 H new ATOM 0 HE2 PHE A 60 11.723 -4.149 10.322 1.00 1.00 H new ATOM 0 HZ PHE A 60 14.154 -4.075 9.847 1.00 1.00 H new ATOM 955 N ILE A 61 12.412 -0.579 4.760 1.00 1.00 N ATOM 956 CA ILE A 61 13.640 -0.912 4.035 1.00 1.00 C ATOM 957 C ILE A 61 14.769 0.027 4.443 1.00 1.00 C ATOM 958 O ILE A 61 14.525 1.157 4.867 1.00 1.00 O ATOM 959 CB ILE A 61 13.379 -0.818 2.528 1.00 1.00 C ATOM 960 CG1 ILE A 61 12.940 0.603 2.148 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.262 -1.800 2.143 1.00 1.00 C ATOM 962 CD1 ILE A 61 12.780 0.703 0.628 1.00 1.00 C ATOM 0 H ILE A 61 12.186 0.416 4.761 1.00 1.00 H new ATOM 0 HA ILE A 61 13.942 -1.930 4.283 1.00 1.00 H new ATOM 0 HB ILE A 61 14.299 -1.064 1.998 1.00 1.00 H new ATOM 0 HG12 ILE A 61 11.998 0.847 2.640 1.00 1.00 H new ATOM 0 HG13 ILE A 61 13.677 1.327 2.494 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.074 -1.735 1.071 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.566 -2.815 2.397 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.352 -1.547 2.687 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.468 1.713 0.361 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.731 0.477 0.146 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.026 -0.010 0.294 1.00 1.00 H new ATOM 974 N SER A 62 16.009 -0.448 4.307 1.00 1.00 N ATOM 975 CA SER A 62 17.199 0.343 4.650 1.00 1.00 C ATOM 976 C SER A 62 18.152 0.364 3.468 1.00 1.00 C ATOM 977 O SER A 62 18.555 -0.688 2.971 1.00 1.00 O ATOM 978 CB SER A 62 17.907 -0.271 5.858 1.00 1.00 C ATOM 979 OG SER A 62 16.997 -0.346 6.946 1.00 1.00 O ATOM 0 H SER A 62 16.219 -1.384 3.959 1.00 1.00 H new ATOM 0 HA SER A 62 16.891 1.360 4.893 1.00 1.00 H new ATOM 0 HB2 SER A 62 18.278 -1.265 5.610 1.00 1.00 H new ATOM 0 HB3 SER A 62 18.772 0.333 6.133 1.00 1.00 H new ATOM 0 HG SER A 62 17.447 -0.741 7.722 1.00 1.00 H new ATOM 985 N ILE A 63 18.513 1.569 3.017 1.00 1.00 N ATOM 986 CA ILE A 63 19.428 1.729 1.882 1.00 1.00 C ATOM 987 C ILE A 63 20.792 2.200 2.384 1.00 1.00 C ATOM 988 O ILE A 63 20.910 3.280 2.965 1.00 1.00 O ATOM 989 CB ILE A 63 18.858 2.764 0.892 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.379 2.428 0.561 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.680 2.742 -0.410 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.428 2.752 1.736 1.00 1.00 C ATOM 0 H ILE A 63 18.186 2.447 3.420 1.00 1.00 H new ATOM 0 HA ILE A 63 19.539 0.770 1.375 1.00 1.00 H new ATOM 0 HB ILE A 63 18.912 3.752 1.348 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.069 2.990 -0.320 1.00 1.00 H new ATOM 0 HG13 ILE A 63 17.296 1.371 0.310 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.275 3.474 -1.108 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.719 2.987 -0.189 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.629 1.749 -0.856 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.405 2.500 1.456 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.719 2.170 2.611 1.00 1.00 H new ATOM 0 HD13 ILE A 63 16.489 3.815 1.971 1.00 1.00 H new ATOM 1004 N ASP A 64 21.822 1.382 2.152 1.00 1.00 N ATOM 1005 CA ASP A 64 23.195 1.711 2.574 1.00 1.00 C ATOM 1006 C ASP A 64 24.039 2.140 1.378 1.00 1.00 C ATOM 1007 O ASP A 64 24.340 1.321 0.508 1.00 1.00 O ATOM 1008 CB ASP A 64 23.845 0.485 3.239 1.00 1.00 C ATOM 1009 CG ASP A 64 25.135 0.886 3.959 1.00 1.00 C ATOM 1010 OD1 ASP A 64 25.558 2.019 3.797 1.00 1.00 O ATOM 1011 OD2 ASP A 64 25.681 0.050 4.661 1.00 1.00 O ATOM 0 H ASP A 64 21.736 0.485 1.674 1.00 1.00 H new ATOM 0 HA ASP A 64 23.146 2.535 3.286 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.149 0.038 3.949 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.062 -0.272 2.486 1.00 1.00 H new ATOM 1016 N LYS A 65 24.430 3.424 1.341 1.00 1.00 N ATOM 1017 CA LYS A 65 25.259 3.949 0.247 1.00 1.00 C ATOM 1018 C LYS A 65 26.516 4.605 0.821 1.00 1.00 C ATOM 1019 O LYS A 65 26.557 4.985 1.992 1.00 1.00 O ATOM 1020 CB LYS A 65 24.455 4.958 -0.618 1.00 1.00 C ATOM 1021 CG LYS A 65 23.520 5.841 0.259 1.00 1.00 C ATOM 1022 CD LYS A 65 22.129 5.185 0.439 1.00 1.00 C ATOM 1023 CE LYS A 65 21.151 6.174 1.101 1.00 1.00 C ATOM 1024 NZ LYS A 65 20.591 7.079 0.062 1.00 1.00 N ATOM 0 H LYS A 65 24.186 4.113 2.052 1.00 1.00 H new ATOM 0 HA LYS A 65 25.557 3.122 -0.398 1.00 1.00 H new ATOM 0 HB2 LYS A 65 25.145 5.595 -1.172 1.00 1.00 H new ATOM 0 HB3 LYS A 65 23.861 4.416 -1.354 1.00 1.00 H new ATOM 0 HG2 LYS A 65 23.978 6.000 1.235 1.00 1.00 H new ATOM 0 HG3 LYS A 65 23.405 6.822 -0.203 1.00 1.00 H new ATOM 0 HD2 LYS A 65 21.739 4.872 -0.530 1.00 1.00 H new ATOM 0 HD3 LYS A 65 22.219 4.288 1.052 1.00 1.00 H new ATOM 0 HE2 LYS A 65 20.347 5.631 1.598 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.665 6.755 1.867 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 20.307 7.978 0.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 21.312 7.261 -0.665 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 19.762 6.631 -0.378 1.00 1.00 H new ATOM 1038 N GLU A 66 27.547 4.707 -0.013 1.00 1.00 N ATOM 1039 CA GLU A 66 28.813 5.291 0.412 1.00 1.00 C ATOM 1040 C GLU A 66 28.589 6.726 0.906 1.00 1.00 C ATOM 1041 O GLU A 66 27.513 7.294 0.727 1.00 1.00 O ATOM 1042 CB GLU A 66 29.817 5.254 -0.773 1.00 1.00 C ATOM 1043 CG GLU A 66 31.270 5.127 -0.270 1.00 1.00 C ATOM 1044 CD GLU A 66 31.517 3.728 0.299 1.00 1.00 C ATOM 1045 OE1 GLU A 66 30.654 2.879 0.138 1.00 1.00 O ATOM 1046 OE2 GLU A 66 32.566 3.527 0.890 1.00 1.00 O ATOM 0 H GLU A 66 27.530 4.394 -0.984 1.00 1.00 H new ATOM 0 HA GLU A 66 29.229 4.714 1.238 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.581 4.414 -1.427 1.00 1.00 H new ATOM 0 HB3 GLU A 66 29.714 6.161 -1.369 1.00 1.00 H new ATOM 0 HG2 GLU A 66 31.963 5.321 -1.088 1.00 1.00 H new ATOM 0 HG3 GLU A 66 31.463 5.878 0.496 1.00 1.00 H new ATOM 1053 N ASP A 67 29.617 7.304 1.515 1.00 1.00 N ATOM 1054 CA ASP A 67 29.539 8.672 2.019 1.00 1.00 C ATOM 1055 C ASP A 67 29.494 9.680 0.871 1.00 1.00 C ATOM 1056 O ASP A 67 29.131 10.839 1.069 1.00 1.00 O ATOM 1057 CB ASP A 67 30.746 8.960 2.916 1.00 1.00 C ATOM 1058 CG ASP A 67 30.672 8.104 4.179 1.00 1.00 C ATOM 1059 OD1 ASP A 67 29.573 7.727 4.552 1.00 1.00 O ATOM 1060 OD2 ASP A 67 31.714 7.841 4.752 1.00 1.00 O ATOM 0 H ASP A 67 30.515 6.848 1.673 1.00 1.00 H new ATOM 0 HA ASP A 67 28.620 8.773 2.596 1.00 1.00 H new ATOM 0 HB2 ASP A 67 31.669 8.749 2.377 1.00 1.00 H new ATOM 0 HB3 ASP A 67 30.768 10.017 3.183 1.00 1.00 H new ATOM 1065 N ASN A 68 29.878 9.235 -0.328 1.00 1.00 N ATOM 1066 CA ASN A 68 29.891 10.108 -1.501 1.00 1.00 C ATOM 1067 C ASN A 68 28.514 10.164 -2.144 1.00 1.00 C ATOM 1068 O ASN A 68 28.336 10.771 -3.200 1.00 1.00 O ATOM 1069 CB ASN A 68 30.914 9.590 -2.516 1.00 1.00 C ATOM 1070 CG ASN A 68 30.572 8.163 -2.931 1.00 1.00 C ATOM 1071 OD1 ASN A 68 29.406 7.843 -3.168 1.00 1.00 O ATOM 1072 ND2 ASN A 68 31.528 7.279 -3.032 1.00 1.00 N ATOM 0 H ASN A 68 30.183 8.279 -0.510 1.00 1.00 H new ATOM 0 HA ASN A 68 30.167 11.114 -1.184 1.00 1.00 H new ATOM 0 HB2 ASN A 68 30.927 10.238 -3.393 1.00 1.00 H new ATOM 0 HB3 ASN A 68 31.914 9.620 -2.083 1.00 1.00 H new ATOM 0 HD21 ASN A 68 31.310 6.321 -3.308 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.493 7.546 -2.835 1.00 1.00 H new ATOM 1079 N ALA A 69 27.532 9.537 -1.494 1.00 1.00 N ATOM 1080 CA ALA A 69 26.160 9.531 -2.000 1.00 1.00 C ATOM 1081 C ALA A 69 25.365 10.621 -1.333 1.00 1.00 C ATOM 1082 O ALA A 69 25.645 11.014 -0.201 1.00 1.00 O ATOM 1083 CB ALA A 69 25.510 8.176 -1.740 1.00 1.00 C ATOM 0 H ALA A 69 27.661 9.029 -0.619 1.00 1.00 H new ATOM 0 HA ALA A 69 26.178 9.710 -3.075 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.489 8.183 -2.121 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.080 7.396 -2.245 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.496 7.979 -0.668 1.00 1.00 H new ATOM 1089 N ASN A 70 24.374 11.117 -2.057 1.00 1.00 N ATOM 1090 CA ASN A 70 23.515 12.185 -1.574 1.00 1.00 C ATOM 1091 C ASN A 70 22.056 11.878 -1.902 1.00 1.00 C ATOM 1092 O ASN A 70 21.705 11.671 -3.061 1.00 1.00 O ATOM 1093 CB ASN A 70 23.916 13.503 -2.242 1.00 1.00 C ATOM 1094 CG ASN A 70 23.100 14.637 -1.649 1.00 1.00 C ATOM 1095 OD1 ASN A 70 23.146 15.768 -2.132 1.00 1.00 O ATOM 1096 ND2 ASN A 70 22.350 14.386 -0.622 1.00 1.00 N ATOM 0 H ASN A 70 24.143 10.790 -2.995 1.00 1.00 H new ATOM 0 HA ASN A 70 23.628 12.268 -0.493 1.00 1.00 H new ATOM 0 HB2 ASN A 70 24.980 13.690 -2.094 1.00 1.00 H new ATOM 0 HB3 ASN A 70 23.749 13.444 -3.318 1.00 1.00 H new ATOM 0 HD21 ASN A 70 21.790 15.130 -0.206 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.320 13.445 -0.230 1.00 1.00 H new ATOM 1103 N TRP A 71 21.218 11.846 -0.872 1.00 1.00 N ATOM 1104 CA TRP A 71 19.796 11.551 -1.048 1.00 1.00 C ATOM 1105 C TRP A 71 19.115 12.583 -1.937 1.00 1.00 C ATOM 1106 O TRP A 71 18.084 12.301 -2.548 1.00 1.00 O ATOM 1107 CB TRP A 71 19.106 11.500 0.322 1.00 1.00 C ATOM 1108 CG TRP A 71 19.925 10.677 1.284 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.849 9.738 0.943 1.00 1.00 C ATOM 1110 CD2 TRP A 71 19.911 10.711 2.742 1.00 1.00 C ATOM 1111 NE1 TRP A 71 21.385 9.197 2.092 1.00 1.00 N ATOM 1112 CE2 TRP A 71 20.840 9.758 3.224 1.00 1.00 C ATOM 1113 CE3 TRP A 71 19.186 11.462 3.684 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 21.045 9.558 4.585 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 19.393 11.265 5.061 1.00 1.00 C ATOM 1116 CH2 TRP A 71 20.318 10.312 5.510 1.00 1.00 C ATOM 0 H TRP A 71 21.496 12.020 0.094 1.00 1.00 H new ATOM 0 HA TRP A 71 19.710 10.582 -1.540 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.979 12.510 0.712 1.00 1.00 H new ATOM 0 HB3 TRP A 71 18.110 11.070 0.220 1.00 1.00 H new ATOM 0 HD1 TRP A 71 21.119 9.461 -0.065 1.00 1.00 H new ATOM 0 HE1 TRP A 71 22.099 8.469 2.102 1.00 1.00 H new ATOM 0 HE3 TRP A 71 18.466 12.194 3.348 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 21.761 8.825 4.925 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 18.836 11.851 5.777 1.00 1.00 H new ATOM 0 HH2 TRP A 71 20.468 10.161 6.569 1.00 1.00 H new ATOM 1127 N ASN A 72 19.689 13.773 -2.003 1.00 1.00 N ATOM 1128 CA ASN A 72 19.120 14.838 -2.817 1.00 1.00 C ATOM 1129 C ASN A 72 18.975 14.374 -4.264 1.00 1.00 C ATOM 1130 O ASN A 72 18.038 14.766 -4.961 1.00 1.00 O ATOM 1131 CB ASN A 72 20.026 16.068 -2.752 1.00 1.00 C ATOM 1132 CG ASN A 72 20.254 16.470 -1.297 1.00 1.00 C ATOM 1133 OD1 ASN A 72 21.168 17.240 -1.000 1.00 1.00 O ATOM 1134 ND2 ASN A 72 19.478 15.987 -0.366 1.00 1.00 N ATOM 0 H ASN A 72 20.543 14.026 -1.507 1.00 1.00 H new ATOM 0 HA ASN A 72 18.133 15.095 -2.432 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.980 15.853 -3.233 1.00 1.00 H new ATOM 0 HB3 ASN A 72 19.572 16.894 -3.300 1.00 1.00 H new ATOM 0 HD21 ASN A 72 19.628 16.247 0.609 1.00 1.00 H new ATOM 0 HD22 ASN A 72 18.721 15.349 -0.613 1.00 1.00 H new ATOM 1141 N GLU A 73 19.905 13.528 -4.702 1.00 1.00 N ATOM 1142 CA GLU A 73 19.877 12.994 -6.064 1.00 1.00 C ATOM 1143 C GLU A 73 18.842 11.870 -6.188 1.00 1.00 C ATOM 1144 O GLU A 73 18.167 11.750 -7.207 1.00 1.00 O ATOM 1145 CB GLU A 73 21.267 12.468 -6.443 1.00 1.00 C ATOM 1146 CG GLU A 73 22.253 13.641 -6.521 1.00 1.00 C ATOM 1147 CD GLU A 73 23.655 13.140 -6.866 1.00 1.00 C ATOM 1148 OE1 GLU A 73 23.803 11.952 -7.103 1.00 1.00 O ATOM 1149 OE2 GLU A 73 24.562 13.957 -6.895 1.00 1.00 O ATOM 0 H GLU A 73 20.686 13.197 -4.136 1.00 1.00 H new ATOM 0 HA GLU A 73 19.594 13.797 -6.745 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.607 11.742 -5.705 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.223 11.951 -7.402 1.00 1.00 H new ATOM 0 HG2 GLU A 73 21.920 14.354 -7.275 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.274 14.170 -5.568 1.00 1.00 H new ATOM 1156 N LEU A 74 18.732 11.040 -5.153 1.00 1.00 N ATOM 1157 CA LEU A 74 17.784 9.925 -5.164 1.00 1.00 C ATOM 1158 C LEU A 74 16.341 10.432 -5.136 1.00 1.00 C ATOM 1159 O LEU A 74 15.469 9.859 -5.782 1.00 1.00 O ATOM 1160 CB LEU A 74 18.018 9.024 -3.935 1.00 1.00 C ATOM 1161 CG LEU A 74 19.244 8.112 -4.147 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.459 8.945 -4.590 1.00 1.00 C ATOM 1163 CD2 LEU A 74 19.573 7.398 -2.825 1.00 1.00 C ATOM 0 H LEU A 74 19.284 11.117 -4.299 1.00 1.00 H new ATOM 0 HA LEU A 74 17.944 9.358 -6.081 1.00 1.00 H new ATOM 0 HB2 LEU A 74 18.168 9.642 -3.049 1.00 1.00 H new ATOM 0 HB3 LEU A 74 17.133 8.414 -3.752 1.00 1.00 H new ATOM 0 HG LEU A 74 19.015 7.381 -4.922 1.00 1.00 H new ATOM 0 HD11 LEU A 74 21.317 8.288 -4.736 1.00 1.00 H new ATOM 0 HD12 LEU A 74 20.229 9.455 -5.526 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.693 9.683 -3.823 1.00 1.00 H new ATOM 0 HD21 LEU A 74 20.439 6.751 -2.967 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.795 8.139 -2.057 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.718 6.797 -2.513 1.00 1.00 H new ATOM 1175 N LEU A 75 16.101 11.501 -4.366 1.00 1.00 N ATOM 1176 CA LEU A 75 14.750 12.067 -4.235 1.00 1.00 C ATOM 1177 C LEU A 75 14.023 12.108 -5.599 1.00 1.00 C ATOM 1178 O LEU A 75 13.013 11.437 -5.785 1.00 1.00 O ATOM 1179 CB LEU A 75 14.807 13.498 -3.600 1.00 1.00 C ATOM 1180 CG LEU A 75 14.416 13.482 -2.098 1.00 1.00 C ATOM 1181 CD1 LEU A 75 15.500 12.789 -1.268 1.00 1.00 C ATOM 1182 CD2 LEU A 75 14.248 14.921 -1.593 1.00 1.00 C ATOM 0 H LEU A 75 16.817 11.989 -3.828 1.00 1.00 H new ATOM 0 HA LEU A 75 14.181 11.416 -3.571 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.813 13.903 -3.709 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.135 14.163 -4.143 1.00 1.00 H new ATOM 0 HG LEU A 75 13.479 12.936 -1.992 1.00 1.00 H new ATOM 0 HD11 LEU A 75 15.209 12.787 -0.218 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.621 11.762 -1.613 1.00 1.00 H new ATOM 0 HD13 LEU A 75 16.443 13.324 -1.382 1.00 1.00 H new ATOM 0 HD21 LEU A 75 13.973 14.907 -0.538 1.00 1.00 H new ATOM 0 HD22 LEU A 75 15.186 15.462 -1.716 1.00 1.00 H new ATOM 0 HD23 LEU A 75 13.465 15.418 -2.165 1.00 1.00 H new ATOM 1194 N PRO A 76 14.504 12.876 -6.545 1.00 1.00 N ATOM 1195 CA PRO A 76 13.851 12.987 -7.890 1.00 1.00 C ATOM 1196 C PRO A 76 13.811 11.646 -8.634 1.00 1.00 C ATOM 1197 O PRO A 76 12.950 11.433 -9.489 1.00 1.00 O ATOM 1198 CB PRO A 76 14.720 14.041 -8.625 1.00 1.00 C ATOM 1199 CG PRO A 76 16.046 13.958 -7.940 1.00 1.00 C ATOM 1200 CD PRO A 76 15.713 13.719 -6.466 1.00 1.00 C ATOM 0 HA PRO A 76 12.803 13.278 -7.823 1.00 1.00 H new ATOM 0 HB2 PRO A 76 14.805 13.817 -9.688 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.290 15.039 -8.543 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.650 13.146 -8.345 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.617 14.877 -8.072 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.526 13.215 -5.943 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.523 14.652 -5.936 1.00 1.00 H new ATOM 1208 N GLN A 77 14.740 10.742 -8.317 1.00 1.00 N ATOM 1209 CA GLN A 77 14.772 9.431 -8.976 1.00 1.00 C ATOM 1210 C GLN A 77 13.692 8.498 -8.421 1.00 1.00 C ATOM 1211 O GLN A 77 12.888 7.945 -9.169 1.00 1.00 O ATOM 1212 CB GLN A 77 16.148 8.790 -8.793 1.00 1.00 C ATOM 1213 CG GLN A 77 17.205 9.642 -9.505 1.00 1.00 C ATOM 1214 CD GLN A 77 18.597 9.072 -9.260 1.00 1.00 C ATOM 1215 OE1 GLN A 77 18.744 8.038 -8.606 1.00 1.00 O ATOM 1216 NE2 GLN A 77 19.634 9.688 -9.757 1.00 1.00 N ATOM 0 H GLN A 77 15.470 10.888 -7.620 1.00 1.00 H new ATOM 0 HA GLN A 77 14.575 9.585 -10.037 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.385 8.708 -7.732 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.147 7.778 -9.198 1.00 1.00 H new ATOM 0 HG2 GLN A 77 16.999 9.670 -10.575 1.00 1.00 H new ATOM 0 HG3 GLN A 77 17.157 10.670 -9.145 1.00 1.00 H new ATOM 0 HE21 GLN A 77 19.508 10.544 -10.298 1.00 1.00 H new ATOM 0 HE22 GLN A 77 20.571 9.314 -9.605 1.00 1.00 H new ATOM 1225 N ILE A 78 13.691 8.321 -7.101 1.00 1.00 N ATOM 1226 CA ILE A 78 12.718 7.438 -6.455 1.00 1.00 C ATOM 1227 C ILE A 78 11.308 8.023 -6.537 1.00 1.00 C ATOM 1228 O ILE A 78 10.349 7.305 -6.821 1.00 1.00 O ATOM 1229 CB ILE A 78 13.126 7.172 -4.995 1.00 1.00 C ATOM 1230 CG1 ILE A 78 12.979 8.468 -4.162 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.584 6.670 -4.969 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.606 8.294 -2.771 1.00 1.00 C ATOM 0 H ILE A 78 14.346 8.772 -6.462 1.00 1.00 H new ATOM 0 HA ILE A 78 12.709 6.486 -6.986 1.00 1.00 H new ATOM 0 HB ILE A 78 12.477 6.413 -4.559 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.460 9.297 -4.682 1.00 1.00 H new ATOM 0 HG13 ILE A 78 11.924 8.724 -4.061 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.884 6.478 -3.939 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.662 5.749 -5.547 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.237 7.427 -5.402 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.492 9.217 -2.202 1.00 1.00 H new ATOM 0 HD12 ILE A 78 13.106 7.480 -2.246 1.00 1.00 H new ATOM 0 HD13 ILE A 78 14.666 8.062 -2.876 1.00 1.00 H new ATOM 1244 N GLU A 79 11.180 9.324 -6.294 1.00 1.00 N ATOM 1245 CA GLU A 79 9.870 9.972 -6.353 1.00 1.00 C ATOM 1246 C GLU A 79 9.212 9.716 -7.709 1.00 1.00 C ATOM 1247 O GLU A 79 7.990 9.616 -7.802 1.00 1.00 O ATOM 1248 CB GLU A 79 10.019 11.484 -6.115 1.00 1.00 C ATOM 1249 CG GLU A 79 10.352 11.754 -4.639 1.00 1.00 C ATOM 1250 CD GLU A 79 10.716 13.224 -4.436 1.00 1.00 C ATOM 1251 OE1 GLU A 79 10.697 13.964 -5.407 1.00 1.00 O ATOM 1252 OE2 GLU A 79 11.009 13.590 -3.309 1.00 1.00 O ATOM 0 H GLU A 79 11.954 9.945 -6.057 1.00 1.00 H new ATOM 0 HA GLU A 79 9.236 9.552 -5.572 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.806 11.885 -6.753 1.00 1.00 H new ATOM 0 HB3 GLU A 79 9.096 11.996 -6.388 1.00 1.00 H new ATOM 0 HG2 GLU A 79 9.498 11.494 -4.013 1.00 1.00 H new ATOM 0 HG3 GLU A 79 11.182 11.121 -4.325 1.00 1.00 H new ATOM 1259 N ASN A 80 10.026 9.605 -8.753 1.00 1.00 N ATOM 1260 CA ASN A 80 9.495 9.356 -10.089 1.00 1.00 C ATOM 1261 C ASN A 80 8.803 7.995 -10.141 1.00 1.00 C ATOM 1262 O ASN A 80 7.740 7.852 -10.744 1.00 1.00 O ATOM 1263 CB ASN A 80 10.624 9.404 -11.124 1.00 1.00 C ATOM 1264 CG ASN A 80 10.064 9.164 -12.522 1.00 1.00 C ATOM 1265 OD1 ASN A 80 9.826 8.019 -12.908 1.00 1.00 O ATOM 1266 ND2 ASN A 80 9.836 10.180 -13.308 1.00 1.00 N ATOM 0 H ASN A 80 11.042 9.682 -8.703 1.00 1.00 H new ATOM 0 HA ASN A 80 8.765 10.132 -10.321 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.123 10.372 -11.085 1.00 1.00 H new ATOM 0 HB3 ASN A 80 11.375 8.649 -10.890 1.00 1.00 H new ATOM 0 HD21 ASN A 80 9.460 10.027 -14.244 1.00 1.00 H new ATOM 0 HD22 ASN A 80 10.034 11.128 -12.987 1.00 1.00 H new ATOM 1273 N THR A 81 9.411 6.997 -9.502 1.00 1.00 N ATOM 1274 CA THR A 81 8.847 5.658 -9.476 1.00 1.00 C ATOM 1275 C THR A 81 7.517 5.656 -8.736 1.00 1.00 C ATOM 1276 O THR A 81 6.509 5.159 -9.238 1.00 1.00 O ATOM 1277 CB THR A 81 9.837 4.715 -8.797 1.00 1.00 C ATOM 1278 OG1 THR A 81 11.022 4.694 -9.562 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.271 3.300 -8.721 1.00 1.00 C ATOM 0 H THR A 81 10.292 7.095 -8.998 1.00 1.00 H new ATOM 0 HA THR A 81 8.665 5.320 -10.496 1.00 1.00 H new ATOM 0 HB THR A 81 10.031 5.066 -7.783 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.284 3.765 -9.733 1.00 1.00 H new ATOM 0 HG21 THR A 81 9.993 2.645 -8.234 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.344 3.309 -8.147 1.00 1.00 H new ATOM 0 HG23 THR A 81 9.071 2.934 -9.728 1.00 1.00 H new ATOM 1287 N PHE A 82 7.525 6.243 -7.547 1.00 1.00 N ATOM 1288 CA PHE A 82 6.317 6.342 -6.737 1.00 1.00 C ATOM 1289 C PHE A 82 5.264 7.196 -7.458 1.00 1.00 C ATOM 1290 O PHE A 82 4.090 6.832 -7.527 1.00 1.00 O ATOM 1291 CB PHE A 82 6.673 6.953 -5.354 1.00 1.00 C ATOM 1292 CG PHE A 82 5.489 7.725 -4.799 1.00 1.00 C ATOM 1293 CD1 PHE A 82 4.523 7.081 -4.026 1.00 1.00 C ATOM 1294 CD2 PHE A 82 5.353 9.081 -5.109 1.00 1.00 C ATOM 1295 CE1 PHE A 82 3.416 7.795 -3.553 1.00 1.00 C ATOM 1296 CE2 PHE A 82 4.250 9.800 -4.634 1.00 1.00 C ATOM 1297 CZ PHE A 82 3.280 9.157 -3.856 1.00 1.00 C ATOM 0 H PHE A 82 8.354 6.658 -7.121 1.00 1.00 H new ATOM 0 HA PHE A 82 5.897 5.348 -6.585 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.957 6.161 -4.661 1.00 1.00 H new ATOM 0 HB3 PHE A 82 7.534 7.615 -5.452 1.00 1.00 H new ATOM 0 HD1 PHE A 82 4.629 6.032 -3.793 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.099 9.574 -5.715 1.00 1.00 H new ATOM 0 HE1 PHE A 82 2.667 7.297 -2.955 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.147 10.849 -4.867 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.428 9.710 -3.490 1.00 1.00 H new ATOM 1307 N ALA A 83 5.696 8.348 -7.959 1.00 1.00 N ATOM 1308 CA ALA A 83 4.787 9.266 -8.638 1.00 1.00 C ATOM 1309 C ALA A 83 4.075 8.562 -9.784 1.00 1.00 C ATOM 1310 O ALA A 83 2.895 8.804 -10.035 1.00 1.00 O ATOM 1311 CB ALA A 83 5.565 10.472 -9.174 1.00 1.00 C ATOM 0 H ALA A 83 6.663 8.668 -7.909 1.00 1.00 H new ATOM 0 HA ALA A 83 4.041 9.608 -7.921 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.879 11.152 -9.679 1.00 1.00 H new ATOM 0 HB2 ALA A 83 6.047 10.992 -8.346 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.323 10.132 -9.879 1.00 1.00 H new ATOM 1317 N LYS A 84 4.797 7.688 -10.474 1.00 1.00 N ATOM 1318 CA LYS A 84 4.217 6.952 -11.589 1.00 1.00 C ATOM 1319 C LYS A 84 3.117 6.013 -11.095 1.00 1.00 C ATOM 1320 O LYS A 84 1.984 6.060 -11.575 1.00 1.00 O ATOM 1321 CB LYS A 84 5.314 6.139 -12.279 1.00 1.00 C ATOM 1322 CG LYS A 84 4.757 5.485 -13.547 1.00 1.00 C ATOM 1323 CD LYS A 84 5.886 4.775 -14.311 1.00 1.00 C ATOM 1324 CE LYS A 84 6.411 3.563 -13.515 1.00 1.00 C ATOM 1325 NZ LYS A 84 7.145 2.657 -14.437 1.00 1.00 N ATOM 0 H LYS A 84 5.776 7.473 -10.284 1.00 1.00 H new ATOM 0 HA LYS A 84 3.780 7.660 -12.294 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.154 6.786 -12.532 1.00 1.00 H new ATOM 0 HB3 LYS A 84 5.693 5.374 -11.601 1.00 1.00 H new ATOM 0 HG2 LYS A 84 3.978 4.769 -13.285 1.00 1.00 H new ATOM 0 HG3 LYS A 84 4.295 6.240 -14.183 1.00 1.00 H new ATOM 0 HD2 LYS A 84 5.521 4.446 -15.284 1.00 1.00 H new ATOM 0 HD3 LYS A 84 6.701 5.474 -14.496 1.00 1.00 H new ATOM 0 HE2 LYS A 84 7.069 3.897 -12.713 1.00 1.00 H new ATOM 0 HE3 LYS A 84 5.582 3.032 -13.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 7.502 1.837 -13.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 6.503 2.331 -15.188 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 7.944 3.168 -14.863 1.00 1.00 H new