USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 706 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 62 SER OG : rot 159:sc= 0.107 USER MOD Set 1.2: A 71 SER OG : rot 120:sc= -0.119 USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -5.55! C(o=-5.6!,f=-4.4!) USER MOD Set 2.2: A 58 THR OG1 : rot -161:sc= 1.14 USER MOD Set 3.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 93 ASN : amide:sc= -1.09! C(o=-1.1!,f=-11!) USER MOD Single : A 10 ASN : amide:sc= -8.75! C(o=-8.7!,f=-19!) USER MOD Single : A 11 THR OG1 : rot -82:sc= -1.08 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 24:sc= -1.88! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 70:sc= -1.06 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.91 K(o=-4.9,f=-12!) USER MOD Single : A 40 HIS : no HD1:sc= -5.73 X(o=-5.7,f=-5.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.91) USER MOD Single : A 53 SER OG : rot 180:sc= -0.443 USER MOD Single : A 54 ASN : amide:sc= -3.37! C(o=-3.4!,f=-4.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00791 X(o=-0.0079,f=0) USER MOD Single : A 60 TYR OH : rot -43:sc= 1.66 USER MOD Single : A 61 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 103:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.042) USER MOD Single : A 82 THR OG1 : rot 51:sc= 0.752 USER MOD Single : A 83 SER OG : rot -41:sc= 0.0956 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.61! C(o=-7!,f=-4.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 20:sc= 0.0117 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 158:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.137 -4.915 -5.184 1.00 0.00 N ATOM 59 CA PHE A 4 11.909 -5.971 -5.841 1.00 0.00 C ATOM 60 C PHE A 4 13.369 -5.959 -5.388 1.00 0.00 C ATOM 61 O PHE A 4 13.979 -7.012 -5.212 1.00 0.00 O ATOM 62 CB PHE A 4 11.829 -5.820 -7.366 1.00 0.00 C ATOM 63 CG PHE A 4 12.680 -4.711 -7.918 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.214 -3.409 -7.940 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.948 -4.974 -8.412 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.995 -2.387 -8.445 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.734 -3.956 -8.919 1.00 0.00 C ATOM 68 CZ PHE A 4 14.256 -2.661 -8.935 1.00 0.00 C ATOM 0 HA PHE A 4 11.475 -6.928 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.130 -6.760 -7.830 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.791 -5.643 -7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.228 -3.188 -7.558 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.326 -5.986 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.619 -1.375 -8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.720 -4.173 -9.302 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.868 -1.864 -9.330 1.00 0.00 H new ATOM 78 N ILE A 5 13.926 -4.765 -5.205 1.00 0.00 N ATOM 79 CA ILE A 5 15.316 -4.638 -4.780 1.00 0.00 C ATOM 80 C ILE A 5 15.517 -5.169 -3.366 1.00 0.00 C ATOM 81 O ILE A 5 16.646 -5.414 -2.941 1.00 0.00 O ATOM 82 CB ILE A 5 15.789 -3.169 -4.840 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.310 -3.089 -4.689 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.099 -2.335 -3.766 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.062 -3.380 -5.969 1.00 0.00 C ATOM 0 H ILE A 5 13.441 -3.879 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 5 15.911 -5.234 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 5 15.517 -2.762 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.580 -2.093 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.628 -3.795 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.447 -1.304 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.020 -2.364 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.336 -2.741 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.134 -3.305 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.822 -4.387 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.773 -2.658 -6.733 1.00 0.00 H new ATOM 97 N GLU A 6 14.420 -5.370 -2.642 1.00 0.00 N ATOM 98 CA GLU A 6 14.500 -5.893 -1.284 1.00 0.00 C ATOM 99 C GLU A 6 14.754 -7.398 -1.300 1.00 0.00 C ATOM 100 O GLU A 6 15.348 -7.947 -0.373 1.00 0.00 O ATOM 101 CB GLU A 6 13.210 -5.590 -0.515 1.00 0.00 C ATOM 102 CG GLU A 6 13.299 -4.355 0.368 1.00 0.00 C ATOM 103 CD GLU A 6 13.283 -3.065 -0.428 1.00 0.00 C ATOM 104 OE1 GLU A 6 12.186 -2.642 -0.849 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.367 -2.478 -0.628 1.00 0.00 O ATOM 0 H GLU A 6 13.473 -5.180 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 6 15.334 -5.403 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.396 -5.458 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.956 -6.451 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.465 -4.354 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.214 -4.401 0.959 1.00 0.00 H new ATOM 112 N THR A 7 14.312 -8.058 -2.369 1.00 0.00 N ATOM 113 CA THR A 7 14.506 -9.496 -2.512 1.00 0.00 C ATOM 114 C THR A 7 15.348 -9.822 -3.747 1.00 0.00 C ATOM 115 O THR A 7 15.325 -10.949 -4.243 1.00 0.00 O ATOM 116 CB THR A 7 13.155 -10.211 -2.589 1.00 0.00 C ATOM 117 OG1 THR A 7 12.333 -9.632 -3.587 1.00 0.00 O ATOM 118 CG2 THR A 7 12.386 -10.174 -1.288 1.00 0.00 C ATOM 0 H THR A 7 13.818 -7.619 -3.146 1.00 0.00 H new ATOM 0 HA THR A 7 15.045 -9.850 -1.633 1.00 0.00 H new ATOM 0 HB THR A 7 13.392 -11.248 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.397 -9.869 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.438 -10.698 -1.411 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.970 -10.659 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.194 -9.138 -1.008 1.00 0.00 H new ATOM 126 N CYS A 8 16.082 -8.834 -4.252 1.00 0.00 N ATOM 127 CA CYS A 8 16.908 -9.038 -5.434 1.00 0.00 C ATOM 128 C CYS A 8 18.310 -8.474 -5.236 1.00 0.00 C ATOM 129 O CYS A 8 18.518 -7.554 -4.446 1.00 0.00 O ATOM 130 CB CYS A 8 16.255 -8.387 -6.655 1.00 0.00 C ATOM 131 SG CYS A 8 14.619 -9.070 -7.079 1.00 0.00 S ATOM 0 H CYS A 8 16.121 -7.892 -3.863 1.00 0.00 H new ATOM 0 HA CYS A 8 16.993 -10.112 -5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.154 -7.317 -6.472 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.918 -8.502 -7.513 1.00 0.00 H new ATOM 136 N ARG A 9 19.269 -9.031 -5.968 1.00 0.00 N ATOM 137 CA ARG A 9 20.653 -8.586 -5.878 1.00 0.00 C ATOM 138 C ARG A 9 21.258 -8.399 -7.267 1.00 0.00 C ATOM 139 O ARG A 9 20.639 -8.745 -8.273 1.00 0.00 O ATOM 140 CB ARG A 9 21.480 -9.591 -5.072 1.00 0.00 C ATOM 141 CG ARG A 9 21.407 -11.013 -5.606 1.00 0.00 C ATOM 142 CD ARG A 9 22.675 -11.793 -5.290 1.00 0.00 C ATOM 143 NE ARG A 9 22.539 -12.593 -4.075 1.00 0.00 N ATOM 144 CZ ARG A 9 22.780 -12.131 -2.850 1.00 0.00 C ATOM 145 NH1 ARG A 9 23.147 -10.869 -2.667 1.00 0.00 N ATOM 146 NH2 ARG A 9 22.652 -12.931 -1.801 1.00 0.00 N ATOM 0 H ARG A 9 19.112 -9.791 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 9 20.669 -7.623 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.521 -9.268 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.137 -9.583 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.547 -11.522 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.252 -10.990 -6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.917 -12.446 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.508 -11.099 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 9 22.241 -13.564 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.246 -10.245 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.330 -10.522 -1.725 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.369 -13.902 -1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.837 -12.576 -0.863 1.00 0.00 H new ATOM 160 N ASN A 10 22.470 -7.844 -7.312 1.00 0.00 N ATOM 161 CA ASN A 10 23.181 -7.598 -8.570 1.00 0.00 C ATOM 162 C ASN A 10 22.314 -6.884 -9.603 1.00 0.00 C ATOM 163 O ASN A 10 22.135 -7.368 -10.721 1.00 0.00 O ATOM 164 CB ASN A 10 23.756 -8.895 -9.157 1.00 0.00 C ATOM 165 CG ASN A 10 22.835 -10.090 -9.013 1.00 0.00 C ATOM 166 OD1 ASN A 10 21.863 -10.236 -9.753 1.00 0.00 O ATOM 167 ND2 ASN A 10 23.146 -10.956 -8.055 1.00 0.00 N ATOM 0 H ASN A 10 22.986 -7.553 -6.482 1.00 0.00 H new ATOM 0 HA ASN A 10 24.009 -6.933 -8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 10 23.973 -8.740 -10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.704 -9.117 -8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.569 -11.784 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.962 -10.793 -7.466 1.00 0.00 H new ATOM 174 N THR A 11 21.810 -5.710 -9.233 1.00 0.00 N ATOM 175 CA THR A 11 21.006 -4.907 -10.142 1.00 0.00 C ATOM 176 C THR A 11 21.922 -4.154 -11.103 1.00 0.00 C ATOM 177 O THR A 11 22.916 -3.560 -10.687 1.00 0.00 O ATOM 178 CB THR A 11 20.118 -3.928 -9.371 1.00 0.00 C ATOM 179 OG1 THR A 11 20.889 -3.142 -8.480 1.00 0.00 O ATOM 180 CG2 THR A 11 19.034 -4.612 -8.565 1.00 0.00 C ATOM 0 H THR A 11 21.945 -5.296 -8.311 1.00 0.00 H new ATOM 0 HA THR A 11 20.354 -5.570 -10.711 1.00 0.00 H new ATOM 0 HB THR A 11 19.645 -3.307 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.052 -3.647 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.441 -3.862 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.390 -5.184 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.490 -5.284 -7.838 1.00 0.00 H new ATOM 188 N GLN A 12 21.590 -4.194 -12.387 1.00 0.00 N ATOM 189 CA GLN A 12 22.396 -3.527 -13.405 1.00 0.00 C ATOM 190 C GLN A 12 21.592 -3.257 -14.667 1.00 0.00 C ATOM 191 O GLN A 12 20.523 -3.833 -14.868 1.00 0.00 O ATOM 192 CB GLN A 12 23.642 -4.352 -13.730 1.00 0.00 C ATOM 193 CG GLN A 12 23.337 -5.744 -14.253 1.00 0.00 C ATOM 194 CD GLN A 12 24.493 -6.333 -15.035 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.411 -6.919 -14.461 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.457 -6.175 -16.352 1.00 0.00 N ATOM 0 H GLN A 12 20.770 -4.680 -12.749 1.00 0.00 H new ATOM 0 HA GLN A 12 22.709 -2.565 -12.999 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.237 -3.818 -14.471 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.254 -4.438 -12.832 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.097 -6.399 -13.416 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.454 -5.704 -14.890 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.676 -5.682 -16.785 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.210 -6.546 -16.931 1.00 0.00 H new ATOM 205 N LEU A 13 22.112 -2.376 -15.515 1.00 0.00 N ATOM 206 CA LEU A 13 21.436 -2.028 -16.755 1.00 0.00 C ATOM 207 C LEU A 13 21.998 -2.816 -17.926 1.00 0.00 C ATOM 208 O LEU A 13 23.211 -2.961 -18.075 1.00 0.00 O ATOM 209 CB LEU A 13 21.587 -0.538 -17.053 1.00 0.00 C ATOM 210 CG LEU A 13 20.830 -0.063 -18.297 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.688 0.854 -17.904 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.766 0.635 -19.274 1.00 0.00 C ATOM 0 H LEU A 13 22.997 -1.892 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 13 20.382 -2.274 -16.627 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.238 0.030 -16.191 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.646 -0.310 -17.177 1.00 0.00 H new ATOM 0 HG LEU A 13 20.416 -0.939 -18.797 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.160 1.183 -18.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.998 0.317 -17.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.083 1.722 -17.377 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.202 0.962 -20.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.218 1.500 -18.789 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.549 -0.057 -19.585 1.00 0.00 H new ATOM 224 N ALA A 14 21.097 -3.309 -18.763 1.00 0.00 N ATOM 225 CA ALA A 14 21.465 -4.070 -19.942 1.00 0.00 C ATOM 226 C ALA A 14 20.936 -3.363 -21.182 1.00 0.00 C ATOM 227 O ALA A 14 19.854 -2.777 -21.149 1.00 0.00 O ATOM 228 CB ALA A 14 20.911 -5.485 -19.848 1.00 0.00 C ATOM 0 H ALA A 14 20.091 -3.191 -18.642 1.00 0.00 H new ATOM 0 HA ALA A 14 22.551 -4.137 -20.009 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.194 -6.046 -20.739 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.318 -5.977 -18.965 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.824 -5.446 -19.774 1.00 0.00 H new ATOM 234 N GLY A 15 21.697 -3.396 -22.267 1.00 0.00 N ATOM 235 CA GLY A 15 21.259 -2.727 -23.478 1.00 0.00 C ATOM 236 C GLY A 15 21.042 -1.243 -23.248 1.00 0.00 C ATOM 237 O GLY A 15 21.724 -0.638 -22.421 1.00 0.00 O ATOM 0 H GLY A 15 22.599 -3.867 -22.332 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.002 -2.869 -24.262 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.333 -3.181 -23.830 1.00 0.00 H new ATOM 241 N SER A 16 20.122 -0.642 -23.995 1.00 0.00 N ATOM 242 CA SER A 16 19.869 0.791 -23.868 1.00 0.00 C ATOM 243 C SER A 16 18.863 1.128 -22.769 1.00 0.00 C ATOM 244 O SER A 16 19.010 2.149 -22.096 1.00 0.00 O ATOM 245 CB SER A 16 19.351 1.349 -25.191 1.00 0.00 C ATOM 246 OG SER A 16 20.033 0.774 -26.292 1.00 0.00 O ATOM 0 H SER A 16 19.544 -1.118 -24.688 1.00 0.00 H new ATOM 0 HA SER A 16 20.821 1.247 -23.598 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.283 1.152 -25.278 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.478 2.432 -25.207 1.00 0.00 H new ATOM 0 HG SER A 16 19.680 1.148 -27.127 1.00 0.00 H new ATOM 252 N SER A 17 17.833 0.303 -22.587 1.00 0.00 N ATOM 253 CA SER A 17 16.833 0.593 -21.570 1.00 0.00 C ATOM 254 C SER A 17 16.332 -0.664 -20.850 1.00 0.00 C ATOM 255 O SER A 17 15.164 -0.739 -20.475 1.00 0.00 O ATOM 256 CB SER A 17 15.669 1.346 -22.212 1.00 0.00 C ATOM 257 OG SER A 17 15.372 0.826 -23.493 1.00 0.00 O ATOM 0 H SER A 17 17.673 -0.552 -23.119 1.00 0.00 H new ATOM 0 HA SER A 17 17.305 1.212 -20.807 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.789 1.274 -21.574 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.917 2.404 -22.294 1.00 0.00 H new ATOM 0 HG SER A 17 15.683 -0.102 -23.550 1.00 0.00 H new ATOM 263 N GLU A 18 17.215 -1.638 -20.637 1.00 0.00 N ATOM 264 CA GLU A 18 16.843 -2.869 -19.932 1.00 0.00 C ATOM 265 C GLU A 18 17.579 -3.002 -18.606 1.00 0.00 C ATOM 266 O GLU A 18 18.705 -2.534 -18.458 1.00 0.00 O ATOM 267 CB GLU A 18 17.112 -4.114 -20.782 1.00 0.00 C ATOM 268 CG GLU A 18 16.023 -4.416 -21.791 1.00 0.00 C ATOM 269 CD GLU A 18 16.368 -3.955 -23.193 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.852 -2.813 -23.340 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.154 -4.736 -24.143 1.00 0.00 O ATOM 0 H GLU A 18 18.188 -1.602 -20.940 1.00 0.00 H new ATOM 0 HA GLU A 18 15.773 -2.797 -19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.057 -3.984 -21.310 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.231 -4.974 -20.122 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.835 -5.490 -21.804 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.098 -3.934 -21.474 1.00 0.00 H new ATOM 278 N LEU A 19 16.931 -3.654 -17.647 1.00 0.00 N ATOM 279 CA LEU A 19 17.510 -3.875 -16.328 1.00 0.00 C ATOM 280 C LEU A 19 17.542 -5.372 -16.036 1.00 0.00 C ATOM 281 O LEU A 19 16.506 -6.038 -16.075 1.00 0.00 O ATOM 282 CB LEU A 19 16.694 -3.135 -15.259 1.00 0.00 C ATOM 283 CG LEU A 19 16.882 -3.625 -13.819 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.307 -3.368 -13.351 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.882 -2.947 -12.891 1.00 0.00 C ATOM 0 H LEU A 19 15.995 -4.042 -17.761 1.00 0.00 H new ATOM 0 HA LEU A 19 18.528 -3.485 -16.309 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.952 -2.077 -15.299 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.638 -3.215 -15.515 1.00 0.00 H new ATOM 0 HG LEU A 19 16.701 -4.700 -13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.423 -3.722 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.004 -3.899 -13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.516 -2.299 -13.391 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.029 -3.306 -11.873 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.032 -1.868 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.868 -3.181 -13.215 1.00 0.00 H new ATOM 297 N ALA A 20 18.719 -5.908 -15.734 1.00 0.00 N ATOM 298 CA ALA A 20 18.844 -7.324 -15.433 1.00 0.00 C ATOM 299 C ALA A 20 19.379 -7.517 -14.015 1.00 0.00 C ATOM 300 O ALA A 20 20.209 -6.741 -13.542 1.00 0.00 O ATOM 301 CB ALA A 20 19.728 -7.999 -16.470 1.00 0.00 C ATOM 0 H ALA A 20 19.594 -5.385 -15.692 1.00 0.00 H new ATOM 0 HA ALA A 20 17.862 -7.794 -15.478 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.817 -9.060 -16.237 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.285 -7.880 -17.459 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.717 -7.541 -16.458 1.00 0.00 H new ATOM 307 N ALA A 21 18.878 -8.543 -13.336 1.00 0.00 N ATOM 308 CA ALA A 21 19.282 -8.823 -11.961 1.00 0.00 C ATOM 309 C ALA A 21 18.934 -10.253 -11.563 1.00 0.00 C ATOM 310 O ALA A 21 18.228 -10.953 -12.289 1.00 0.00 O ATOM 311 CB ALA A 21 18.637 -7.830 -11.009 1.00 0.00 C ATOM 0 H ALA A 21 18.191 -9.195 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 21 20.365 -8.715 -11.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.947 -8.051 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.948 -6.819 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.552 -7.907 -11.083 1.00 0.00 H new ATOM 317 N GLU A 22 19.384 -10.669 -10.386 1.00 0.00 N ATOM 318 CA GLU A 22 19.062 -11.993 -9.877 1.00 0.00 C ATOM 319 C GLU A 22 18.096 -11.838 -8.709 1.00 0.00 C ATOM 320 O GLU A 22 18.299 -10.984 -7.845 1.00 0.00 O ATOM 321 CB GLU A 22 20.321 -12.729 -9.413 1.00 0.00 C ATOM 322 CG GLU A 22 21.286 -13.080 -10.534 1.00 0.00 C ATOM 323 CD GLU A 22 22.459 -13.913 -10.049 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.629 -14.041 -8.818 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.207 -14.437 -10.901 1.00 0.00 O ATOM 0 H GLU A 22 19.972 -10.109 -9.768 1.00 0.00 H new ATOM 0 HA GLU A 22 18.608 -12.581 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.841 -12.111 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.025 -13.646 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.752 -13.627 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.659 -12.162 -10.989 1.00 0.00 H new ATOM 332 N CYS A 23 17.047 -12.648 -8.669 1.00 0.00 N ATOM 333 CA CYS A 23 16.078 -12.551 -7.587 1.00 0.00 C ATOM 334 C CYS A 23 15.793 -13.913 -6.973 1.00 0.00 C ATOM 335 O CYS A 23 15.556 -14.894 -7.680 1.00 0.00 O ATOM 336 CB CYS A 23 14.779 -11.920 -8.088 1.00 0.00 C ATOM 337 SG CYS A 23 14.977 -10.220 -8.712 1.00 0.00 S ATOM 0 H CYS A 23 16.847 -13.369 -9.362 1.00 0.00 H new ATOM 0 HA CYS A 23 16.508 -11.915 -6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.367 -12.542 -8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.052 -11.916 -7.276 1.00 0.00 H new ATOM 342 N LYS A 24 15.836 -13.965 -5.651 1.00 0.00 N ATOM 343 CA LYS A 24 15.595 -15.203 -4.930 1.00 0.00 C ATOM 344 C LYS A 24 14.156 -15.677 -5.101 1.00 0.00 C ATOM 345 O LYS A 24 13.214 -14.887 -5.035 1.00 0.00 O ATOM 346 CB LYS A 24 15.914 -15.025 -3.444 1.00 0.00 C ATOM 347 CG LYS A 24 15.014 -14.018 -2.741 1.00 0.00 C ATOM 348 CD LYS A 24 14.635 -14.482 -1.343 1.00 0.00 C ATOM 349 CE LYS A 24 15.570 -13.908 -0.291 1.00 0.00 C ATOM 350 NZ LYS A 24 15.800 -14.866 0.824 1.00 0.00 N ATOM 0 H LYS A 24 16.036 -13.162 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 24 16.254 -15.964 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.825 -15.990 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.951 -14.707 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.523 -13.056 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.110 -13.864 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.611 -14.180 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.663 -15.571 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.523 -13.652 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.149 -12.984 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.442 -14.439 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.893 -15.091 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.225 -15.738 0.450 1.00 0.00 H new ATOM 364 N THR A 25 14.000 -16.977 -5.319 1.00 0.00 N ATOM 365 CA THR A 25 12.682 -17.572 -5.496 1.00 0.00 C ATOM 366 C THR A 25 12.076 -17.937 -4.146 1.00 0.00 C ATOM 367 O THR A 25 12.676 -17.680 -3.102 1.00 0.00 O ATOM 368 CB THR A 25 12.772 -18.809 -6.389 1.00 0.00 C ATOM 369 OG1 THR A 25 13.650 -19.770 -5.831 1.00 0.00 O ATOM 370 CG2 THR A 25 13.260 -18.497 -7.787 1.00 0.00 C ATOM 0 H THR A 25 14.772 -17.641 -5.377 1.00 0.00 H new ATOM 0 HA THR A 25 12.035 -16.840 -5.979 1.00 0.00 H new ATOM 0 HB THR A 25 11.755 -19.197 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.692 -20.554 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.302 -19.416 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.575 -17.795 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.255 -18.055 -7.735 1.00 0.00 H new ATOM 378 N ARG A 26 10.885 -18.526 -4.162 1.00 0.00 N ATOM 379 CA ARG A 26 10.214 -18.911 -2.926 1.00 0.00 C ATOM 380 C ARG A 26 11.049 -19.913 -2.132 1.00 0.00 C ATOM 381 O ARG A 26 10.951 -19.982 -0.907 1.00 0.00 O ATOM 382 CB ARG A 26 8.841 -19.511 -3.240 1.00 0.00 C ATOM 383 CG ARG A 26 7.843 -18.502 -3.787 1.00 0.00 C ATOM 384 CD ARG A 26 7.065 -17.824 -2.672 1.00 0.00 C ATOM 385 NE ARG A 26 6.560 -16.513 -3.074 1.00 0.00 N ATOM 386 CZ ARG A 26 5.645 -15.829 -2.392 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.133 -16.327 -1.273 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.242 -14.644 -2.828 1.00 0.00 N ATOM 0 H ARG A 26 10.367 -18.746 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 26 10.088 -18.015 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.963 -20.317 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.433 -19.957 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.370 -17.749 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.150 -19.004 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.230 -18.459 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.707 -17.713 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 26 6.931 -16.097 -3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.441 -17.238 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.432 -15.799 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.633 -14.256 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.541 -14.120 -2.305 1.00 0.00 H new ATOM 402 N ALA A 27 11.848 -20.708 -2.839 1.00 0.00 N ATOM 403 CA ALA A 27 12.674 -21.727 -2.198 1.00 0.00 C ATOM 404 C ALA A 27 13.986 -21.162 -1.649 1.00 0.00 C ATOM 405 O ALA A 27 14.870 -21.921 -1.252 1.00 0.00 O ATOM 406 CB ALA A 27 12.959 -22.857 -3.173 1.00 0.00 C ATOM 0 H ALA A 27 11.941 -20.666 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 27 12.109 -22.108 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.576 -23.612 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.019 -23.307 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.487 -22.464 -4.042 1.00 0.00 H new ATOM 412 N GLN A 28 14.126 -19.839 -1.646 1.00 0.00 N ATOM 413 CA GLN A 28 15.348 -19.194 -1.168 1.00 0.00 C ATOM 414 C GLN A 28 16.533 -19.501 -2.080 1.00 0.00 C ATOM 415 O GLN A 28 17.667 -19.645 -1.623 1.00 0.00 O ATOM 416 CB GLN A 28 15.673 -19.642 0.260 1.00 0.00 C ATOM 417 CG GLN A 28 14.460 -19.732 1.170 1.00 0.00 C ATOM 418 CD GLN A 28 14.799 -20.321 2.526 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.456 -21.466 2.822 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.480 -19.539 3.356 1.00 0.00 N ATOM 0 H GLN A 28 13.408 -19.191 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 28 15.172 -18.118 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.159 -20.617 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.390 -18.945 0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.035 -18.737 1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.695 -20.343 0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.743 -18.597 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.740 -19.881 4.281 1.00 0.00 H new ATOM 429 N GLN A 29 16.259 -19.556 -3.377 1.00 0.00 N ATOM 430 CA GLN A 29 17.293 -19.796 -4.376 1.00 0.00 C ATOM 431 C GLN A 29 17.373 -18.587 -5.303 1.00 0.00 C ATOM 432 O GLN A 29 16.345 -18.031 -5.683 1.00 0.00 O ATOM 433 CB GLN A 29 16.995 -21.068 -5.175 1.00 0.00 C ATOM 434 CG GLN A 29 16.742 -22.288 -4.302 1.00 0.00 C ATOM 435 CD GLN A 29 18.016 -23.034 -3.956 1.00 0.00 C ATOM 436 OE1 GLN A 29 18.660 -23.623 -4.824 1.00 0.00 O ATOM 437 NE2 GLN A 29 18.386 -23.013 -2.681 1.00 0.00 N ATOM 0 H GLN A 29 15.323 -19.437 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 29 18.251 -19.938 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.123 -20.895 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.834 -21.275 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.248 -21.975 -3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.059 -22.963 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.822 -22.512 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.234 -23.498 -2.388 1.00 0.00 H new ATOM 446 N PHE A 30 18.585 -18.162 -5.647 1.00 0.00 N ATOM 447 CA PHE A 30 18.758 -16.995 -6.510 1.00 0.00 C ATOM 448 C PHE A 30 18.872 -17.395 -7.976 1.00 0.00 C ATOM 449 O PHE A 30 19.722 -18.204 -8.347 1.00 0.00 O ATOM 450 CB PHE A 30 20.002 -16.206 -6.093 1.00 0.00 C ATOM 451 CG PHE A 30 19.889 -15.580 -4.733 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.006 -16.355 -3.590 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.662 -14.220 -4.596 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.900 -15.785 -2.336 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.554 -13.644 -3.345 1.00 0.00 C ATOM 456 CZ PHE A 30 19.673 -14.428 -2.213 1.00 0.00 C ATOM 0 H PHE A 30 19.455 -18.602 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 30 17.874 -16.368 -6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.865 -16.871 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.190 -15.424 -6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.182 -17.417 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.568 -13.603 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.994 -16.400 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.377 -12.583 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.589 -13.980 -1.234 1.00 0.00 H new ATOM 466 N VAL A 31 18.012 -16.815 -8.808 1.00 0.00 N ATOM 467 CA VAL A 31 18.016 -17.100 -10.235 1.00 0.00 C ATOM 468 C VAL A 31 18.065 -15.807 -11.044 1.00 0.00 C ATOM 469 O VAL A 31 17.588 -14.766 -10.595 1.00 0.00 O ATOM 470 CB VAL A 31 16.774 -17.912 -10.654 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.959 -19.386 -10.327 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.525 -17.361 -9.983 1.00 0.00 C ATOM 0 H VAL A 31 17.302 -16.143 -8.515 1.00 0.00 H new ATOM 0 HA VAL A 31 18.907 -17.693 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 31 16.651 -17.819 -11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.071 -19.940 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.828 -19.771 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.111 -19.504 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.658 -17.946 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.637 -17.420 -8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.383 -16.321 -10.277 1.00 0.00 H new ATOM 482 N SER A 32 18.667 -15.872 -12.225 1.00 0.00 N ATOM 483 CA SER A 32 18.795 -14.694 -13.076 1.00 0.00 C ATOM 484 C SER A 32 17.449 -14.283 -13.664 1.00 0.00 C ATOM 485 O SER A 32 16.698 -15.114 -14.173 1.00 0.00 O ATOM 486 CB SER A 32 19.797 -14.959 -14.200 1.00 0.00 C ATOM 487 OG SER A 32 20.081 -13.771 -14.918 1.00 0.00 O ATOM 0 H SER A 32 19.073 -16.723 -12.615 1.00 0.00 H new ATOM 0 HA SER A 32 19.158 -13.874 -12.457 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.718 -15.365 -13.782 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.396 -15.712 -14.879 1.00 0.00 H new ATOM 0 HG SER A 32 20.725 -13.965 -15.630 1.00 0.00 H new ATOM 493 N THR A 33 17.162 -12.985 -13.593 1.00 0.00 N ATOM 494 CA THR A 33 15.914 -12.437 -14.113 1.00 0.00 C ATOM 495 C THR A 33 16.146 -11.052 -14.705 1.00 0.00 C ATOM 496 O THR A 33 17.154 -10.407 -14.417 1.00 0.00 O ATOM 497 CB THR A 33 14.861 -12.362 -13.008 1.00 0.00 C ATOM 498 OG1 THR A 33 13.645 -11.841 -13.514 1.00 0.00 O ATOM 499 CG2 THR A 33 15.283 -11.501 -11.837 1.00 0.00 C ATOM 0 H THR A 33 17.782 -12.290 -13.177 1.00 0.00 H new ATOM 0 HA THR A 33 15.551 -13.099 -14.899 1.00 0.00 H new ATOM 0 HB THR A 33 14.735 -13.385 -12.655 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.233 -12.497 -14.114 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.490 -11.491 -11.089 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.193 -11.907 -11.396 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.470 -10.484 -12.182 1.00 0.00 H new ATOM 507 N LYS A 34 15.218 -10.593 -15.537 1.00 0.00 N ATOM 508 CA LYS A 34 15.357 -9.289 -16.163 1.00 0.00 C ATOM 509 C LYS A 34 14.017 -8.569 -16.291 1.00 0.00 C ATOM 510 O LYS A 34 12.954 -9.189 -16.296 1.00 0.00 O ATOM 511 CB LYS A 34 15.989 -9.441 -17.546 1.00 0.00 C ATOM 512 CG LYS A 34 16.616 -8.162 -18.074 1.00 0.00 C ATOM 513 CD LYS A 34 17.292 -8.388 -19.415 1.00 0.00 C ATOM 514 CE LYS A 34 16.276 -8.518 -20.538 1.00 0.00 C ATOM 515 NZ LYS A 34 16.316 -9.866 -21.168 1.00 0.00 N ATOM 0 H LYS A 34 14.370 -11.101 -15.790 1.00 0.00 H new ATOM 0 HA LYS A 34 16.000 -8.686 -15.522 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.752 -10.219 -17.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.227 -9.779 -18.249 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.849 -7.394 -18.176 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.346 -7.789 -17.355 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.966 -7.558 -19.628 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.902 -9.290 -19.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.276 -8.329 -20.147 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.471 -7.758 -21.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.609 -9.915 -21.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.263 -10.036 -21.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.105 -10.590 -20.452 1.00 0.00 H new ATOM 529 N ILE A 35 14.097 -7.248 -16.412 1.00 0.00 N ATOM 530 CA ILE A 35 12.921 -6.399 -16.559 1.00 0.00 C ATOM 531 C ILE A 35 13.193 -5.350 -17.629 1.00 0.00 C ATOM 532 O ILE A 35 14.217 -4.668 -17.584 1.00 0.00 O ATOM 533 CB ILE A 35 12.566 -5.702 -15.230 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.273 -4.898 -15.375 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.708 -4.806 -14.772 1.00 0.00 C ATOM 536 CD1 ILE A 35 10.050 -5.625 -14.858 1.00 0.00 C ATOM 0 H ILE A 35 14.979 -6.736 -16.411 1.00 0.00 H new ATOM 0 HA ILE A 35 12.076 -7.024 -16.850 1.00 0.00 H new ATOM 0 HB ILE A 35 12.410 -6.469 -14.471 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.379 -3.955 -14.839 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.123 -4.652 -16.426 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.438 -4.323 -13.833 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.606 -5.407 -14.626 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.900 -4.045 -15.529 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.169 -4.997 -14.992 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.919 -6.556 -15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.179 -5.847 -13.799 1.00 0.00 H new ATOM 548 N ASN A 36 12.293 -5.225 -18.602 1.00 0.00 N ATOM 549 CA ASN A 36 12.475 -4.266 -19.685 1.00 0.00 C ATOM 550 C ASN A 36 11.902 -2.902 -19.327 1.00 0.00 C ATOM 551 O ASN A 36 10.694 -2.760 -19.146 1.00 0.00 O ATOM 552 CB ASN A 36 11.791 -4.780 -20.951 1.00 0.00 C ATOM 553 CG ASN A 36 12.208 -4.010 -22.189 1.00 0.00 C ATOM 554 OD1 ASN A 36 11.602 -2.997 -22.535 1.00 0.00 O ATOM 555 ND2 ASN A 36 13.247 -4.489 -22.863 1.00 0.00 N ATOM 0 H ASN A 36 11.435 -5.774 -18.661 1.00 0.00 H new ATOM 0 HA ASN A 36 13.546 -4.155 -19.854 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.029 -5.835 -21.086 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.710 -4.710 -20.830 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.572 -4.013 -23.705 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.720 -5.333 -22.539 1.00 0.00 H new ATOM 562 N LEU A 37 12.761 -1.895 -19.254 1.00 0.00 N ATOM 563 CA LEU A 37 12.311 -0.545 -18.946 1.00 0.00 C ATOM 564 C LEU A 37 11.874 0.180 -20.222 1.00 0.00 C ATOM 565 O LEU A 37 11.251 1.239 -20.157 1.00 0.00 O ATOM 566 CB LEU A 37 13.414 0.241 -18.228 1.00 0.00 C ATOM 567 CG LEU A 37 13.936 -0.412 -16.944 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.036 -1.415 -17.260 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.436 0.644 -15.967 1.00 0.00 C ATOM 0 H LEU A 37 13.766 -1.986 -19.403 1.00 0.00 H new ATOM 0 HA LEU A 37 11.451 -0.613 -18.279 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.249 0.378 -18.915 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.035 1.234 -17.986 1.00 0.00 H new ATOM 0 HG LEU A 37 13.111 -0.947 -16.474 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.393 -1.867 -16.335 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.643 -2.192 -17.915 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.862 -0.905 -17.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.802 0.158 -15.062 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.245 1.211 -16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.619 1.319 -15.711 1.00 0.00 H new ATOM 581 N ASP A 38 12.238 -0.374 -21.383 1.00 0.00 N ATOM 582 CA ASP A 38 11.909 0.242 -22.670 1.00 0.00 C ATOM 583 C ASP A 38 10.402 0.475 -22.834 1.00 0.00 C ATOM 584 O ASP A 38 9.976 1.569 -23.202 1.00 0.00 O ATOM 585 CB ASP A 38 12.401 -0.623 -23.838 1.00 0.00 C ATOM 586 CG ASP A 38 13.741 -1.290 -23.583 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.931 -1.854 -22.485 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.602 -1.254 -24.489 1.00 0.00 O ATOM 0 H ASP A 38 12.760 -1.247 -21.457 1.00 0.00 H new ATOM 0 HA ASP A 38 12.416 1.207 -22.683 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.657 -1.391 -24.048 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.478 -0.002 -24.731 1.00 0.00 H new ATOM 593 N ASP A 39 9.588 -0.545 -22.561 1.00 0.00 N ATOM 594 CA ASP A 39 8.132 -0.404 -22.687 1.00 0.00 C ATOM 595 C ASP A 39 7.495 0.029 -21.371 1.00 0.00 C ATOM 596 O ASP A 39 6.320 0.389 -21.337 1.00 0.00 O ATOM 597 CB ASP A 39 7.471 -1.695 -23.176 1.00 0.00 C ATOM 598 CG ASP A 39 8.397 -2.544 -24.025 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.988 -2.001 -24.982 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.531 -3.751 -23.732 1.00 0.00 O ATOM 0 H ASP A 39 9.903 -1.466 -22.255 1.00 0.00 H new ATOM 0 HA ASP A 39 7.964 0.373 -23.433 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.139 -2.276 -22.316 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.581 -1.446 -23.755 1.00 0.00 H new ATOM 605 N HIS A 40 8.266 0.005 -20.288 1.00 0.00 N ATOM 606 CA HIS A 40 7.752 0.414 -18.986 1.00 0.00 C ATOM 607 C HIS A 40 8.118 1.869 -18.735 1.00 0.00 C ATOM 608 O HIS A 40 7.248 2.737 -18.657 1.00 0.00 O ATOM 609 CB HIS A 40 8.325 -0.477 -17.880 1.00 0.00 C ATOM 610 CG HIS A 40 7.592 -1.774 -17.720 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.228 -1.846 -17.532 1.00 0.00 N ATOM 612 CD2 HIS A 40 8.035 -3.055 -17.737 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.863 -3.113 -17.441 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.941 -3.865 -17.561 1.00 0.00 N ATOM 0 H HIS A 40 9.242 -0.291 -20.286 1.00 0.00 H new ATOM 0 HA HIS A 40 6.667 0.308 -18.980 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.373 -0.685 -18.098 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.297 0.066 -16.935 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.058 -3.378 -17.865 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.855 -3.472 -17.294 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.958 -4.884 -17.528 1.00 0.00 H new ATOM 623 N ILE A 41 9.416 2.130 -18.634 1.00 0.00 N ATOM 624 CA ILE A 41 9.906 3.481 -18.424 1.00 0.00 C ATOM 625 C ILE A 41 9.927 4.249 -19.747 1.00 0.00 C ATOM 626 O ILE A 41 10.114 3.665 -20.812 1.00 0.00 O ATOM 627 CB ILE A 41 11.315 3.474 -17.785 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.241 2.937 -16.352 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.926 4.870 -17.793 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.865 1.473 -16.266 1.00 0.00 C ATOM 0 H ILE A 41 10.147 1.421 -18.695 1.00 0.00 H new ATOM 0 HA ILE A 41 9.227 3.982 -17.734 1.00 0.00 H new ATOM 0 HB ILE A 41 11.955 2.820 -18.378 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.207 3.083 -15.869 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.513 3.523 -15.792 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.916 4.836 -17.338 1.00 0.00 H new ATOM 0 HG22 ILE A 41 12.010 5.224 -18.820 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.289 5.549 -17.226 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.833 1.166 -15.221 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.885 1.322 -16.719 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.606 0.875 -16.797 1.00 0.00 H new ATOM 642 N ALA A 42 9.713 5.556 -19.662 1.00 0.00 N ATOM 643 CA ALA A 42 9.691 6.411 -20.854 1.00 0.00 C ATOM 644 C ALA A 42 10.359 7.761 -20.596 1.00 0.00 C ATOM 645 O ALA A 42 10.716 8.085 -19.463 1.00 0.00 O ATOM 646 CB ALA A 42 8.259 6.621 -21.319 1.00 0.00 C ATOM 0 H ALA A 42 9.552 6.051 -18.785 1.00 0.00 H new ATOM 0 HA ALA A 42 10.257 5.904 -21.635 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.253 7.257 -22.204 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.810 5.658 -21.561 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.685 7.099 -20.525 1.00 0.00 H new ATOM 652 N ASN A 43 10.540 8.534 -21.667 1.00 0.00 N ATOM 653 CA ASN A 43 11.178 9.848 -21.579 1.00 0.00 C ATOM 654 C ASN A 43 10.189 10.968 -21.896 1.00 0.00 C ATOM 655 O ASN A 43 9.740 11.108 -23.034 1.00 0.00 O ATOM 656 CB ASN A 43 12.365 9.913 -22.539 1.00 0.00 C ATOM 657 CG ASN A 43 13.050 11.264 -22.536 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.827 12.040 -23.590 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.764 11.607 -21.595 1.00 0.00 N flip ATOM 0 H ASN A 43 10.252 8.271 -22.610 1.00 0.00 H new ATOM 0 HA ASN A 43 11.528 9.987 -20.556 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.088 9.144 -22.268 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.022 9.687 -23.549 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.906 10.976 -20.806 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.214 12.522 -21.603 1.00 0.00 H new ATOM 666 N ILE A 44 9.862 11.766 -20.885 1.00 0.00 N ATOM 667 CA ILE A 44 8.934 12.879 -21.058 1.00 0.00 C ATOM 668 C ILE A 44 9.645 14.222 -20.885 1.00 0.00 C ATOM 669 O ILE A 44 9.708 14.768 -19.784 1.00 0.00 O ATOM 670 CB ILE A 44 7.751 12.784 -20.066 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.934 11.520 -20.343 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.864 14.019 -20.161 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.661 10.240 -19.994 1.00 0.00 C ATOM 0 H ILE A 44 10.225 11.663 -19.937 1.00 0.00 H new ATOM 0 HA ILE A 44 8.543 12.816 -22.074 1.00 0.00 H new ATOM 0 HB ILE A 44 8.153 12.731 -19.054 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.005 11.567 -19.775 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.662 11.497 -21.398 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.039 13.930 -19.454 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.450 14.907 -19.924 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.467 14.105 -21.173 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.021 9.386 -20.217 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.577 10.170 -20.581 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.909 10.240 -18.933 1.00 0.00 H new ATOM 685 N ASP A 45 10.173 14.748 -21.988 1.00 0.00 N ATOM 686 CA ASP A 45 10.877 16.030 -21.977 1.00 0.00 C ATOM 687 C ASP A 45 12.195 15.931 -21.213 1.00 0.00 C ATOM 688 O ASP A 45 12.600 16.873 -20.534 1.00 0.00 O ATOM 689 CB ASP A 45 9.999 17.119 -21.353 1.00 0.00 C ATOM 690 CG ASP A 45 10.494 18.515 -21.681 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.631 18.637 -22.183 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.745 19.484 -21.438 1.00 0.00 O ATOM 0 H ASP A 45 10.127 14.304 -22.905 1.00 0.00 H new ATOM 0 HA ASP A 45 11.097 16.295 -23.011 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.975 17.006 -21.709 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.976 16.989 -20.271 1.00 0.00 H new ATOM 697 N GLY A 46 12.870 14.796 -21.346 1.00 0.00 N ATOM 698 CA GLY A 46 14.143 14.613 -20.674 1.00 0.00 C ATOM 699 C GLY A 46 14.006 14.105 -19.248 1.00 0.00 C ATOM 700 O GLY A 46 15.009 13.905 -18.563 1.00 0.00 O ATOM 0 H GLY A 46 12.560 14.001 -21.905 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.749 13.910 -21.245 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.680 15.562 -20.664 1.00 0.00 H new ATOM 704 N THR A 47 12.773 13.887 -18.794 1.00 0.00 N ATOM 705 CA THR A 47 12.540 13.396 -17.440 1.00 0.00 C ATOM 706 C THR A 47 12.035 11.956 -17.467 1.00 0.00 C ATOM 707 O THR A 47 11.180 11.606 -18.280 1.00 0.00 O ATOM 708 CB THR A 47 11.525 14.292 -16.725 1.00 0.00 C ATOM 709 OG1 THR A 47 11.801 15.660 -16.971 1.00 0.00 O ATOM 710 CG2 THR A 47 11.500 14.093 -15.225 1.00 0.00 C ATOM 0 H THR A 47 11.926 14.042 -19.341 1.00 0.00 H new ATOM 0 HA THR A 47 13.485 13.421 -16.898 1.00 0.00 H new ATOM 0 HB THR A 47 10.554 14.005 -17.130 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.140 16.216 -16.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.759 14.759 -14.782 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.240 13.059 -14.999 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.483 14.318 -14.812 1.00 0.00 H new ATOM 718 N LEU A 48 12.594 11.117 -16.601 1.00 0.00 N ATOM 719 CA LEU A 48 12.220 9.708 -16.570 1.00 0.00 C ATOM 720 C LEU A 48 10.879 9.505 -15.872 1.00 0.00 C ATOM 721 O LEU A 48 10.719 9.775 -14.681 1.00 0.00 O ATOM 722 CB LEU A 48 13.304 8.880 -15.876 1.00 0.00 C ATOM 723 CG LEU A 48 14.541 8.590 -16.730 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.693 8.112 -15.860 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.219 7.559 -17.800 1.00 0.00 C ATOM 0 H LEU A 48 13.302 11.385 -15.917 1.00 0.00 H new ATOM 0 HA LEU A 48 12.121 9.369 -17.601 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.619 9.404 -14.973 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.869 7.932 -15.559 1.00 0.00 H new ATOM 0 HG LEU A 48 14.843 9.515 -17.221 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.563 7.911 -16.486 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.941 8.882 -15.130 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.402 7.199 -15.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.109 7.365 -18.398 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.891 6.634 -17.327 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.425 7.938 -18.444 1.00 0.00 H new ATOM 737 N LYS A 49 9.925 9.013 -16.657 1.00 0.00 N ATOM 738 CA LYS A 49 8.572 8.740 -16.196 1.00 0.00 C ATOM 739 C LYS A 49 8.093 7.426 -16.804 1.00 0.00 C ATOM 740 O LYS A 49 8.685 6.938 -17.764 1.00 0.00 O ATOM 741 CB LYS A 49 7.633 9.889 -16.570 1.00 0.00 C ATOM 742 CG LYS A 49 8.246 11.263 -16.351 1.00 0.00 C ATOM 743 CD LYS A 49 7.198 12.361 -16.425 1.00 0.00 C ATOM 744 CE LYS A 49 7.840 13.738 -16.455 1.00 0.00 C ATOM 745 NZ LYS A 49 6.826 14.824 -16.375 1.00 0.00 N ATOM 0 H LYS A 49 10.074 8.791 -17.641 1.00 0.00 H new ATOM 0 HA LYS A 49 8.570 8.653 -15.109 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.347 9.789 -17.617 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.719 9.809 -15.981 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.737 11.292 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.016 11.443 -17.102 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.587 12.223 -17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.530 12.288 -15.566 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.538 13.831 -15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.419 13.849 -17.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.304 15.747 -16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.174 14.751 -17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.290 14.734 -15.488 1.00 0.00 H new ATOM 759 N TRP A 50 7.036 6.848 -16.251 1.00 0.00 N ATOM 760 CA TRP A 50 6.520 5.577 -16.760 1.00 0.00 C ATOM 761 C TRP A 50 5.505 5.774 -17.889 1.00 0.00 C ATOM 762 O TRP A 50 4.540 6.525 -17.752 1.00 0.00 O ATOM 763 CB TRP A 50 5.895 4.767 -15.624 1.00 0.00 C ATOM 764 CG TRP A 50 6.924 4.122 -14.747 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.661 3.007 -15.031 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.348 4.564 -13.453 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.517 2.732 -13.993 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.341 3.671 -13.012 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.984 5.626 -12.624 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.973 3.811 -11.782 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.614 5.763 -11.403 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.599 4.860 -10.992 1.00 0.00 C ATOM 0 H TRP A 50 6.521 7.231 -15.458 1.00 0.00 H new ATOM 0 HA TRP A 50 7.365 5.028 -17.175 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.265 5.420 -15.020 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.247 3.998 -16.044 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.582 2.427 -15.939 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.177 1.955 -13.958 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.223 6.328 -12.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.734 3.114 -11.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.341 6.582 -10.754 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.073 4.995 -10.031 1.00 0.00 H new ATOM 783 N GLN A 51 5.745 5.087 -19.007 1.00 0.00 N ATOM 784 CA GLN A 51 4.873 5.161 -20.184 1.00 0.00 C ATOM 785 C GLN A 51 5.311 4.127 -21.222 1.00 0.00 C ATOM 786 O GLN A 51 6.486 3.765 -21.279 1.00 0.00 O ATOM 787 CB GLN A 51 4.927 6.558 -20.812 1.00 0.00 C ATOM 788 CG GLN A 51 3.909 7.536 -20.246 1.00 0.00 C ATOM 789 CD GLN A 51 3.000 8.117 -21.314 1.00 0.00 C ATOM 790 OE1 GLN A 51 2.064 7.462 -21.774 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.271 9.356 -21.714 1.00 0.00 N ATOM 0 H GLN A 51 6.545 4.466 -19.124 1.00 0.00 H new ATOM 0 HA GLN A 51 3.851 4.955 -19.865 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.927 6.969 -20.671 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.769 6.467 -21.887 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.303 7.029 -19.495 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.433 8.347 -19.739 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.056 9.863 -21.306 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.693 9.799 -22.428 1.00 0.00 H new ATOM 800 N PRO A 52 4.383 3.634 -22.067 1.00 0.00 N ATOM 801 CA PRO A 52 4.719 2.639 -23.091 1.00 0.00 C ATOM 802 C PRO A 52 5.550 3.239 -24.221 1.00 0.00 C ATOM 803 O PRO A 52 5.139 3.254 -25.381 1.00 0.00 O ATOM 804 CB PRO A 52 3.357 2.166 -23.593 1.00 0.00 C ATOM 805 CG PRO A 52 2.444 3.320 -23.349 1.00 0.00 C ATOM 806 CD PRO A 52 2.951 3.999 -22.100 1.00 0.00 C ATOM 0 HA PRO A 52 5.332 1.829 -22.696 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.393 1.906 -24.651 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.024 1.277 -23.057 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.449 4.007 -24.195 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.416 2.983 -23.219 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.813 5.079 -22.146 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.427 3.648 -21.211 1.00 0.00 H new ATOM 814 N SER A 53 6.732 3.718 -23.858 1.00 0.00 N ATOM 815 CA SER A 53 7.664 4.314 -24.802 1.00 0.00 C ATOM 816 C SER A 53 9.069 4.239 -24.213 1.00 0.00 C ATOM 817 O SER A 53 9.259 4.495 -23.026 1.00 0.00 O ATOM 818 CB SER A 53 7.272 5.765 -25.099 1.00 0.00 C ATOM 819 OG SER A 53 6.835 6.426 -23.924 1.00 0.00 O ATOM 0 H SER A 53 7.072 3.703 -22.896 1.00 0.00 H new ATOM 0 HA SER A 53 7.637 3.767 -25.745 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.124 6.296 -25.523 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.480 5.785 -25.847 1.00 0.00 H new ATOM 0 HG SER A 53 6.592 7.351 -24.140 1.00 0.00 H new ATOM 825 N ASN A 54 10.041 3.845 -25.028 1.00 0.00 N ATOM 826 CA ASN A 54 11.422 3.692 -24.556 1.00 0.00 C ATOM 827 C ASN A 54 12.161 5.021 -24.494 1.00 0.00 C ATOM 828 O ASN A 54 12.493 5.611 -25.522 1.00 0.00 O ATOM 829 CB ASN A 54 12.205 2.725 -25.457 1.00 0.00 C ATOM 830 CG ASN A 54 11.327 1.691 -26.144 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.214 1.407 -25.702 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.831 1.119 -27.233 1.00 0.00 N ATOM 0 H ASN A 54 9.905 3.625 -26.015 1.00 0.00 H new ATOM 0 HA ASN A 54 11.359 3.287 -23.546 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.738 3.299 -26.215 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.957 2.211 -24.858 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.290 0.415 -27.736 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.758 1.384 -27.565 1.00 0.00 H new ATOM 839 N PHE A 55 12.449 5.468 -23.275 1.00 0.00 N ATOM 840 CA PHE A 55 13.186 6.707 -23.058 1.00 0.00 C ATOM 841 C PHE A 55 14.438 6.748 -23.939 1.00 0.00 C ATOM 842 O PHE A 55 14.896 7.816 -24.343 1.00 0.00 O ATOM 843 CB PHE A 55 13.573 6.833 -21.580 1.00 0.00 C ATOM 844 CG PHE A 55 14.396 5.681 -21.071 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.788 4.504 -20.660 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.777 5.775 -21.003 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.541 3.445 -20.194 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.535 4.718 -20.537 1.00 0.00 C ATOM 849 CZ PHE A 55 15.917 3.551 -20.133 1.00 0.00 C ATOM 0 H PHE A 55 12.180 4.986 -22.417 1.00 0.00 H new ATOM 0 HA PHE A 55 12.546 7.547 -23.330 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.131 7.758 -21.437 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.666 6.913 -20.981 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.713 4.415 -20.705 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.266 6.685 -21.318 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.055 2.534 -19.877 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.610 4.804 -20.489 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.508 2.723 -19.770 1.00 0.00 H new ATOM 859 N SER A 56 14.980 5.565 -24.231 1.00 0.00 N ATOM 860 CA SER A 56 16.186 5.427 -25.050 1.00 0.00 C ATOM 861 C SER A 56 16.119 6.231 -26.353 1.00 0.00 C ATOM 862 O SER A 56 17.148 6.472 -26.985 1.00 0.00 O ATOM 863 CB SER A 56 16.430 3.955 -25.378 1.00 0.00 C ATOM 864 OG SER A 56 15.596 3.526 -26.439 1.00 0.00 O ATOM 0 H SER A 56 14.597 4.677 -23.907 1.00 0.00 H new ATOM 0 HA SER A 56 17.010 5.829 -24.461 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.475 3.808 -25.650 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.242 3.346 -24.494 1.00 0.00 H new ATOM 0 HG SER A 56 15.772 2.581 -26.632 1.00 0.00 H new ATOM 870 N GLN A 57 14.920 6.636 -26.769 1.00 0.00 N ATOM 871 CA GLN A 57 14.772 7.391 -28.010 1.00 0.00 C ATOM 872 C GLN A 57 15.498 8.731 -27.929 1.00 0.00 C ATOM 873 O GLN A 57 15.952 9.261 -28.943 1.00 0.00 O ATOM 874 CB GLN A 57 13.292 7.625 -28.324 1.00 0.00 C ATOM 875 CG GLN A 57 12.536 6.356 -28.688 1.00 0.00 C ATOM 876 CD GLN A 57 11.705 6.512 -29.948 1.00 0.00 C ATOM 877 OE1 GLN A 57 11.828 5.727 -30.887 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.849 7.528 -29.973 1.00 0.00 N ATOM 0 H GLN A 57 14.048 6.457 -26.272 1.00 0.00 H new ATOM 0 HA GLN A 57 15.219 6.802 -28.811 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.815 8.086 -27.459 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.212 8.334 -29.148 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.247 5.541 -28.825 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.885 6.076 -27.860 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.779 8.156 -29.172 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.262 7.680 -30.793 1.00 0.00 H new ATOM 887 N THR A 58 15.613 9.273 -26.721 1.00 0.00 N ATOM 888 CA THR A 58 16.293 10.551 -26.526 1.00 0.00 C ATOM 889 C THR A 58 17.357 10.459 -25.432 1.00 0.00 C ATOM 890 O THR A 58 18.013 11.451 -25.115 1.00 0.00 O ATOM 891 CB THR A 58 15.290 11.644 -26.144 1.00 0.00 C ATOM 892 OG1 THR A 58 14.976 11.568 -24.766 1.00 0.00 O ATOM 893 CG2 THR A 58 13.985 11.571 -26.907 1.00 0.00 C ATOM 0 H THR A 58 15.247 8.852 -25.867 1.00 0.00 H new ATOM 0 HA THR A 58 16.775 10.803 -27.471 1.00 0.00 H new ATOM 0 HB THR A 58 15.784 12.582 -26.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.142 12.053 -24.593 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.327 12.377 -26.581 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.181 11.672 -27.974 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.505 10.611 -26.716 1.00 0.00 H new ATOM 901 N CYS A 59 17.511 9.281 -24.833 1.00 0.00 N ATOM 902 CA CYS A 59 18.479 9.107 -23.757 1.00 0.00 C ATOM 903 C CYS A 59 19.645 8.216 -24.164 1.00 0.00 C ATOM 904 O CYS A 59 19.502 7.311 -24.985 1.00 0.00 O ATOM 905 CB CYS A 59 17.794 8.519 -22.523 1.00 0.00 C ATOM 906 SG CYS A 59 16.164 9.245 -22.160 1.00 0.00 S ATOM 0 H CYS A 59 16.983 8.441 -25.072 1.00 0.00 H new ATOM 0 HA CYS A 59 18.881 10.094 -23.527 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.678 7.444 -22.663 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.443 8.660 -21.659 1.00 0.00 H new ATOM 911 N TYR A 60 20.807 8.502 -23.581 1.00 0.00 N ATOM 912 CA TYR A 60 22.029 7.750 -23.857 1.00 0.00 C ATOM 913 C TYR A 60 22.859 7.609 -22.582 1.00 0.00 C ATOM 914 O TYR A 60 22.702 8.387 -21.639 1.00 0.00 O ATOM 915 CB TYR A 60 22.854 8.436 -24.950 1.00 0.00 C ATOM 916 CG TYR A 60 23.288 9.842 -24.595 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.382 10.894 -24.617 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.603 10.117 -24.238 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.772 12.179 -24.293 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.000 11.401 -23.913 1.00 0.00 C ATOM 921 CZ TYR A 60 24.081 12.427 -23.942 1.00 0.00 C ATOM 922 OH TYR A 60 24.472 13.706 -23.617 1.00 0.00 O ATOM 0 H TYR A 60 20.928 9.258 -22.907 1.00 0.00 H new ATOM 0 HA TYR A 60 21.749 6.758 -24.210 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.739 7.834 -25.156 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.268 8.467 -25.869 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.355 10.704 -24.892 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.326 9.315 -24.214 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.054 12.986 -24.315 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.025 11.599 -23.638 1.00 0.00 H new ATOM 0 HH TYR A 60 24.073 14.340 -24.248 1.00 0.00 H new ATOM 932 N ASN A 61 23.730 6.604 -22.551 1.00 0.00 N ATOM 933 CA ASN A 61 24.576 6.357 -21.386 1.00 0.00 C ATOM 934 C ASN A 61 23.731 5.997 -20.166 1.00 0.00 C ATOM 935 O ASN A 61 23.951 6.509 -19.069 1.00 0.00 O ATOM 936 CB ASN A 61 25.439 7.586 -21.089 1.00 0.00 C ATOM 937 CG ASN A 61 26.375 7.918 -22.234 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.614 7.091 -23.114 1.00 0.00 O ATOM 939 ND2 ASN A 61 26.910 9.133 -22.229 1.00 0.00 N ATOM 0 H ASN A 61 23.869 5.947 -23.319 1.00 0.00 H new ATOM 0 HA ASN A 61 25.228 5.513 -21.610 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.794 8.442 -20.890 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.022 7.409 -20.185 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.547 9.413 -22.975 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.684 9.787 -21.479 1.00 0.00 H new ATOM 946 N SER A 62 22.761 5.114 -20.376 1.00 0.00 N ATOM 947 CA SER A 62 21.878 4.674 -19.304 1.00 0.00 C ATOM 948 C SER A 62 22.629 3.796 -18.309 1.00 0.00 C ATOM 949 O SER A 62 23.413 2.930 -18.695 1.00 0.00 O ATOM 950 CB SER A 62 20.680 3.915 -19.877 1.00 0.00 C ATOM 951 OG SER A 62 19.866 4.767 -20.663 1.00 0.00 O ATOM 0 H SER A 62 22.567 4.688 -21.282 1.00 0.00 H new ATOM 0 HA SER A 62 21.516 5.558 -18.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.031 3.080 -20.484 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.090 3.492 -19.064 1.00 0.00 H new ATOM 0 HG SER A 62 19.326 4.228 -21.278 1.00 0.00 H new ATOM 957 N ALA A 63 22.378 4.028 -17.025 1.00 0.00 N ATOM 958 CA ALA A 63 23.023 3.262 -15.967 1.00 0.00 C ATOM 959 C ALA A 63 22.068 2.999 -14.810 1.00 0.00 C ATOM 960 O ALA A 63 21.145 3.775 -14.567 1.00 0.00 O ATOM 961 CB ALA A 63 24.261 3.992 -15.470 1.00 0.00 C ATOM 0 H ALA A 63 21.731 4.742 -16.692 1.00 0.00 H new ATOM 0 HA ALA A 63 23.319 2.299 -16.383 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.734 3.409 -14.679 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.962 4.122 -16.294 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.975 4.969 -15.079 1.00 0.00 H new ATOM 967 N ILE A 64 22.287 1.896 -14.103 1.00 0.00 N ATOM 968 CA ILE A 64 21.434 1.539 -12.981 1.00 0.00 C ATOM 969 C ILE A 64 22.241 1.194 -11.734 1.00 0.00 C ATOM 970 O ILE A 64 23.281 0.540 -11.805 1.00 0.00 O ATOM 971 CB ILE A 64 20.508 0.365 -13.342 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.505 0.831 -14.394 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.785 -0.158 -12.104 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.529 -0.236 -14.813 1.00 0.00 C ATOM 0 H ILE A 64 23.044 1.238 -14.287 1.00 0.00 H new ATOM 0 HA ILE A 64 20.828 2.417 -12.758 1.00 0.00 H new ATOM 0 HB ILE A 64 21.105 -0.454 -13.744 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.951 1.684 -14.003 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.048 1.179 -15.272 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.136 -0.988 -12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.517 -0.501 -11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.185 0.641 -11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.848 0.168 -15.562 1.00 0.00 H new ATOM 0 HD12 ILE A 64 19.073 -1.081 -15.235 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.959 -0.568 -13.946 1.00 0.00 H new ATOM 986 N GLN A 65 21.725 1.626 -10.590 1.00 0.00 N ATOM 987 CA GLN A 65 22.353 1.365 -9.302 1.00 0.00 C ATOM 988 C GLN A 65 21.285 0.969 -8.292 1.00 0.00 C ATOM 989 O GLN A 65 20.471 1.796 -7.881 1.00 0.00 O ATOM 990 CB GLN A 65 23.110 2.599 -8.806 1.00 0.00 C ATOM 991 CG GLN A 65 24.246 3.027 -9.719 1.00 0.00 C ATOM 992 CD GLN A 65 25.588 2.471 -9.282 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.264 3.045 -8.429 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.981 1.346 -9.869 1.00 0.00 N ATOM 0 H GLN A 65 20.862 2.166 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 65 23.069 0.551 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.409 3.427 -8.701 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.511 2.394 -7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.034 2.697 -10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.298 4.116 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.389 0.903 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.875 0.925 -9.617 1.00 0.00 H new ATOM 1003 N GLY A 66 21.277 -0.303 -7.911 1.00 0.00 N ATOM 1004 CA GLY A 66 20.283 -0.782 -6.970 1.00 0.00 C ATOM 1005 C GLY A 66 18.891 -0.761 -7.567 1.00 0.00 C ATOM 1006 O GLY A 66 18.630 -1.436 -8.563 1.00 0.00 O ATOM 0 H GLY A 66 21.938 -1.009 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.532 -1.798 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.304 -0.164 -6.073 1.00 0.00 H new ATOM 1010 N SER A 67 17.984 -0.008 -6.952 1.00 0.00 N ATOM 1011 CA SER A 67 16.610 0.062 -7.432 1.00 0.00 C ATOM 1012 C SER A 67 16.336 1.329 -8.245 1.00 0.00 C ATOM 1013 O SER A 67 15.247 1.487 -8.795 1.00 0.00 O ATOM 1014 CB SER A 67 15.642 -0.003 -6.249 1.00 0.00 C ATOM 1015 OG SER A 67 15.560 1.250 -5.591 1.00 0.00 O ATOM 0 H SER A 67 18.175 0.559 -6.126 1.00 0.00 H new ATOM 0 HA SER A 67 16.458 -0.791 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.653 -0.299 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.973 -0.767 -5.545 1.00 0.00 H new ATOM 0 HG SER A 67 14.727 1.699 -5.845 1.00 0.00 H new ATOM 1021 N VAL A 68 17.314 2.227 -8.330 1.00 0.00 N ATOM 1022 CA VAL A 68 17.134 3.468 -9.086 1.00 0.00 C ATOM 1023 C VAL A 68 17.836 3.425 -10.442 1.00 0.00 C ATOM 1024 O VAL A 68 18.943 2.903 -10.567 1.00 0.00 O ATOM 1025 CB VAL A 68 17.644 4.692 -8.303 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.176 5.976 -8.971 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.174 4.637 -6.858 1.00 0.00 C ATOM 0 H VAL A 68 18.229 2.123 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 68 16.060 3.563 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 68 18.734 4.677 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.543 6.834 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.562 6.018 -9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.086 5.997 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.545 5.510 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.084 4.629 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.556 3.732 -6.385 1.00 0.00 H new ATOM 1037 N LEU A 69 17.181 3.980 -11.457 1.00 0.00 N ATOM 1038 CA LEU A 69 17.733 4.018 -12.804 1.00 0.00 C ATOM 1039 C LEU A 69 18.267 5.414 -13.125 1.00 0.00 C ATOM 1040 O LEU A 69 17.553 6.409 -12.984 1.00 0.00 O ATOM 1041 CB LEU A 69 16.655 3.608 -13.819 1.00 0.00 C ATOM 1042 CG LEU A 69 16.894 4.049 -15.267 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.247 3.562 -15.760 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.777 3.539 -16.170 1.00 0.00 C ATOM 0 H LEU A 69 16.261 4.412 -11.369 1.00 0.00 H new ATOM 0 HA LEU A 69 18.563 3.314 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.562 2.522 -13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.699 4.015 -13.489 1.00 0.00 H new ATOM 0 HG LEU A 69 16.893 5.139 -15.300 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.397 3.886 -16.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.034 3.977 -15.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.281 2.474 -15.713 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.962 3.861 -17.195 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.747 2.450 -16.132 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.822 3.941 -15.830 1.00 0.00 H new ATOM 1056 N THR A 70 19.523 5.490 -13.558 1.00 0.00 N ATOM 1057 CA THR A 70 20.136 6.765 -13.902 1.00 0.00 C ATOM 1058 C THR A 70 20.471 6.797 -15.387 1.00 0.00 C ATOM 1059 O THR A 70 21.146 5.905 -15.894 1.00 0.00 O ATOM 1060 CB THR A 70 21.409 6.977 -13.083 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.148 6.823 -11.700 1.00 0.00 O ATOM 1062 CG2 THR A 70 22.031 8.340 -13.286 1.00 0.00 C ATOM 0 H THR A 70 20.134 4.682 -13.678 1.00 0.00 H new ATOM 0 HA THR A 70 19.431 7.564 -13.675 1.00 0.00 H new ATOM 0 HB THR A 70 22.109 6.221 -13.438 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.976 6.961 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.930 8.424 -12.676 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.292 8.468 -14.337 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.320 9.112 -12.992 1.00 0.00 H new ATOM 1070 N SER A 71 19.986 7.813 -16.089 1.00 0.00 N ATOM 1071 CA SER A 71 20.233 7.923 -17.524 1.00 0.00 C ATOM 1072 C SER A 71 20.229 9.377 -17.976 1.00 0.00 C ATOM 1073 O SER A 71 19.569 10.219 -17.368 1.00 0.00 O ATOM 1074 CB SER A 71 19.182 7.127 -18.302 1.00 0.00 C ATOM 1075 OG SER A 71 19.106 7.556 -19.651 1.00 0.00 O ATOM 0 H SER A 71 19.424 8.567 -15.694 1.00 0.00 H new ATOM 0 HA SER A 71 21.220 7.509 -17.728 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.428 6.066 -18.269 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.208 7.243 -17.826 1.00 0.00 H new ATOM 0 HG SER A 71 19.321 6.807 -20.245 1.00 0.00 H new ATOM 1081 N THR A 72 20.946 9.665 -19.061 1.00 0.00 N ATOM 1082 CA THR A 72 20.989 11.014 -19.604 1.00 0.00 C ATOM 1083 C THR A 72 19.945 11.138 -20.711 1.00 0.00 C ATOM 1084 O THR A 72 19.923 10.329 -21.637 1.00 0.00 O ATOM 1085 CB THR A 72 22.383 11.325 -20.158 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.389 10.884 -19.263 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.612 12.798 -20.416 1.00 0.00 C ATOM 0 H THR A 72 21.502 8.983 -19.577 1.00 0.00 H new ATOM 0 HA THR A 72 20.770 11.729 -18.811 1.00 0.00 H new ATOM 0 HB THR A 72 22.439 10.794 -21.108 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.272 11.090 -19.636 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.619 12.947 -20.807 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.884 13.158 -21.143 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.499 13.352 -19.484 1.00 0.00 H new ATOM 1095 N CYS A 73 19.067 12.129 -20.607 1.00 0.00 N ATOM 1096 CA CYS A 73 18.015 12.302 -21.603 1.00 0.00 C ATOM 1097 C CYS A 73 17.993 13.706 -22.191 1.00 0.00 C ATOM 1098 O CYS A 73 18.227 14.693 -21.495 1.00 0.00 O ATOM 1099 CB CYS A 73 16.653 11.990 -20.986 1.00 0.00 C ATOM 1100 SG CYS A 73 16.463 10.265 -20.434 1.00 0.00 S ATOM 0 H CYS A 73 19.061 12.817 -19.854 1.00 0.00 H new ATOM 0 HA CYS A 73 18.230 11.607 -22.415 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.491 12.652 -20.135 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.876 12.214 -21.716 1.00 0.00 H new ATOM 1105 N GLU A 74 17.654 13.777 -23.474 1.00 0.00 N ATOM 1106 CA GLU A 74 17.553 15.051 -24.176 1.00 0.00 C ATOM 1107 C GLU A 74 16.286 15.799 -23.770 1.00 0.00 C ATOM 1108 O GLU A 74 15.214 15.204 -23.660 1.00 0.00 O ATOM 1109 CB GLU A 74 17.568 14.828 -25.690 1.00 0.00 C ATOM 1110 CG GLU A 74 17.784 16.104 -26.488 1.00 0.00 C ATOM 1111 CD GLU A 74 16.916 16.171 -27.729 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.247 15.492 -28.724 1.00 0.00 O ATOM 1113 OE2 GLU A 74 15.903 16.902 -27.706 1.00 0.00 O ATOM 0 H GLU A 74 17.444 12.963 -24.051 1.00 0.00 H new ATOM 0 HA GLU A 74 18.415 15.658 -23.899 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.356 14.117 -25.937 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.624 14.375 -25.992 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.571 16.965 -25.854 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.832 16.173 -26.778 1.00 0.00 H new ATOM 1120 N ARG A 75 16.410 17.102 -23.555 1.00 0.00 N ATOM 1121 CA ARG A 75 15.272 17.924 -23.170 1.00 0.00 C ATOM 1122 C ARG A 75 14.603 18.517 -24.407 1.00 0.00 C ATOM 1123 O ARG A 75 15.273 18.847 -25.385 1.00 0.00 O ATOM 1124 CB ARG A 75 15.729 19.040 -22.232 1.00 0.00 C ATOM 1125 CG ARG A 75 16.714 18.569 -21.175 1.00 0.00 C ATOM 1126 CD ARG A 75 17.231 19.726 -20.338 1.00 0.00 C ATOM 1127 NE ARG A 75 18.131 20.589 -21.099 1.00 0.00 N ATOM 1128 CZ ARG A 75 18.901 21.525 -20.550 1.00 0.00 C ATOM 1129 NH1 ARG A 75 18.882 21.722 -19.237 1.00 0.00 N ATOM 1130 NH2 ARG A 75 19.693 22.265 -21.314 1.00 0.00 N ATOM 0 H ARG A 75 17.289 17.612 -23.641 1.00 0.00 H new ATOM 0 HA ARG A 75 14.547 17.298 -22.650 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.189 19.834 -22.820 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.857 19.472 -21.740 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.231 17.838 -20.527 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.552 18.064 -21.656 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.389 20.313 -19.971 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.754 19.337 -19.464 1.00 0.00 H new ATOM 0 HE ARG A 75 18.172 20.467 -22.111 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.275 21.155 -18.645 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.474 22.441 -18.821 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.712 22.117 -22.323 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.283 22.982 -20.893 1.00 0.00 H new ATOM 1144 N THR A 76 13.278 18.639 -24.365 1.00 0.00 N ATOM 1145 CA THR A 76 12.517 19.178 -25.490 1.00 0.00 C ATOM 1146 C THR A 76 13.075 20.523 -25.953 1.00 0.00 C ATOM 1147 O THR A 76 12.935 20.894 -27.119 1.00 0.00 O ATOM 1148 CB THR A 76 11.048 19.332 -25.100 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.565 18.145 -24.496 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.147 19.650 -26.274 1.00 0.00 C ATOM 0 H THR A 76 12.708 18.371 -23.562 1.00 0.00 H new ATOM 0 HA THR A 76 12.604 18.475 -26.319 1.00 0.00 H new ATOM 0 HB THR A 76 11.019 20.171 -24.404 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.623 18.262 -24.251 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.118 19.746 -25.927 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.464 20.586 -26.733 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.209 18.847 -27.008 1.00 0.00 H new ATOM 1158 N ASN A 77 13.708 21.247 -25.038 1.00 0.00 N ATOM 1159 CA ASN A 77 14.285 22.547 -25.363 1.00 0.00 C ATOM 1160 C ASN A 77 15.668 22.399 -26.001 1.00 0.00 C ATOM 1161 O ASN A 77 16.324 23.392 -26.314 1.00 0.00 O ATOM 1162 CB ASN A 77 14.387 23.409 -24.103 1.00 0.00 C ATOM 1163 CG ASN A 77 14.265 24.889 -24.404 1.00 0.00 C ATOM 1164 OD1 ASN A 77 15.267 25.594 -24.528 1.00 0.00 O ATOM 1165 ND2 ASN A 77 13.033 25.369 -24.521 1.00 0.00 N ATOM 0 H ASN A 77 13.835 20.958 -24.068 1.00 0.00 H new ATOM 0 HA ASN A 77 13.627 23.033 -26.083 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.604 23.118 -23.403 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.341 23.218 -23.612 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.888 26.359 -24.721 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.231 24.748 -24.410 1.00 0.00 H new ATOM 1172 N GLY A 78 16.108 21.157 -26.188 1.00 0.00 N ATOM 1173 CA GLY A 78 17.407 20.908 -26.779 1.00 0.00 C ATOM 1174 C GLY A 78 18.498 20.801 -25.741 1.00 0.00 C ATOM 1175 O GLY A 78 18.528 21.558 -24.771 1.00 0.00 O ATOM 0 H GLY A 78 15.584 20.318 -25.939 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.369 19.986 -27.359 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.648 21.712 -27.474 1.00 0.00 H new ATOM 1179 N GLY A 79 19.373 19.834 -25.939 1.00 0.00 N ATOM 1180 CA GLY A 79 20.457 19.597 -25.004 1.00 0.00 C ATOM 1181 C GLY A 79 20.311 18.249 -24.327 1.00 0.00 C ATOM 1182 O GLY A 79 19.510 17.428 -24.767 1.00 0.00 O ATOM 0 H GLY A 79 19.355 19.200 -26.738 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.411 19.642 -25.530 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.471 20.385 -24.251 1.00 0.00 H new ATOM 1186 N TYR A 80 21.093 18.003 -23.276 1.00 0.00 N ATOM 1187 CA TYR A 80 21.025 16.723 -22.569 1.00 0.00 C ATOM 1188 C TYR A 80 20.979 16.923 -21.057 1.00 0.00 C ATOM 1189 O TYR A 80 21.620 17.824 -20.517 1.00 0.00 O ATOM 1190 CB TYR A 80 22.222 15.843 -22.937 1.00 0.00 C ATOM 1191 CG TYR A 80 22.437 15.709 -24.427 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.422 15.249 -25.255 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.651 16.051 -25.006 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.611 15.133 -26.618 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.847 15.940 -26.368 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.825 15.480 -27.169 1.00 0.00 C ATOM 1197 OH TYR A 80 23.016 15.369 -28.527 1.00 0.00 O ATOM 0 H TYR A 80 21.773 18.663 -22.899 1.00 0.00 H new ATOM 0 HA TYR A 80 20.105 16.227 -22.877 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.122 16.260 -22.484 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.079 14.851 -22.508 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.469 14.977 -24.826 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.455 16.410 -24.381 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.812 14.772 -27.248 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.797 16.212 -26.803 1.00 0.00 H new ATOM 0 HH TYR A 80 23.926 15.655 -28.754 1.00 0.00 H new ATOM 1207 N ASN A 81 20.211 16.072 -20.385 1.00 0.00 N ATOM 1208 CA ASN A 81 20.066 16.135 -18.935 1.00 0.00 C ATOM 1209 C ASN A 81 19.700 14.760 -18.382 1.00 0.00 C ATOM 1210 O ASN A 81 18.798 14.095 -18.892 1.00 0.00 O ATOM 1211 CB ASN A 81 19.001 17.161 -18.544 1.00 0.00 C ATOM 1212 CG ASN A 81 18.920 17.370 -17.043 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.457 18.340 -16.509 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.245 16.457 -16.354 1.00 0.00 N ATOM 0 H ASN A 81 19.675 15.324 -20.826 1.00 0.00 H new ATOM 0 HA ASN A 81 21.019 16.446 -18.507 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.222 18.112 -19.029 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.030 16.832 -18.915 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.156 16.545 -15.342 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.815 15.668 -16.837 1.00 0.00 H new ATOM 1221 N THR A 82 20.416 14.337 -17.346 1.00 0.00 N ATOM 1222 CA THR A 82 20.184 13.036 -16.724 1.00 0.00 C ATOM 1223 C THR A 82 19.226 13.141 -15.544 1.00 0.00 C ATOM 1224 O THR A 82 19.358 14.028 -14.700 1.00 0.00 O ATOM 1225 CB THR A 82 21.503 12.405 -16.274 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.267 11.294 -15.426 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.405 13.365 -15.534 1.00 0.00 C ATOM 0 H THR A 82 21.166 14.879 -16.916 1.00 0.00 H new ATOM 0 HA THR A 82 19.725 12.395 -17.477 1.00 0.00 H new ATOM 0 HB THR A 82 22.003 12.099 -17.193 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.623 10.689 -15.851 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.322 12.852 -15.244 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.649 14.207 -16.181 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.895 13.729 -14.642 1.00 0.00 H new ATOM 1235 N SER A 83 18.264 12.224 -15.488 1.00 0.00 N ATOM 1236 CA SER A 83 17.283 12.196 -14.412 1.00 0.00 C ATOM 1237 C SER A 83 17.335 10.851 -13.685 1.00 0.00 C ATOM 1238 O SER A 83 17.811 9.853 -14.237 1.00 0.00 O ATOM 1239 CB SER A 83 15.877 12.441 -14.965 1.00 0.00 C ATOM 1240 OG SER A 83 15.348 11.267 -15.557 1.00 0.00 O ATOM 0 H SER A 83 18.144 11.486 -16.182 1.00 0.00 H new ATOM 0 HA SER A 83 17.522 12.989 -13.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.220 12.774 -14.161 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.908 13.242 -15.704 1.00 0.00 H new ATOM 0 HG SER A 83 16.049 10.815 -16.071 1.00 0.00 H new ATOM 1246 N SER A 84 16.852 10.828 -12.447 1.00 0.00 N ATOM 1247 CA SER A 84 16.852 9.606 -11.654 1.00 0.00 C ATOM 1248 C SER A 84 15.441 9.246 -11.198 1.00 0.00 C ATOM 1249 O SER A 84 14.633 10.122 -10.892 1.00 0.00 O ATOM 1250 CB SER A 84 17.769 9.759 -10.439 1.00 0.00 C ATOM 1251 OG SER A 84 17.218 10.662 -9.496 1.00 0.00 O ATOM 0 H SER A 84 16.457 11.640 -11.973 1.00 0.00 H new ATOM 0 HA SER A 84 17.226 8.799 -12.284 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.922 8.787 -9.970 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.748 10.116 -10.760 1.00 0.00 H new ATOM 0 HG SER A 84 17.822 10.742 -8.728 1.00 0.00 H new ATOM 1257 N ILE A 85 15.156 7.948 -11.148 1.00 0.00 N ATOM 1258 CA ILE A 85 13.844 7.470 -10.727 1.00 0.00 C ATOM 1259 C ILE A 85 13.945 6.157 -9.949 1.00 0.00 C ATOM 1260 O ILE A 85 14.758 5.293 -10.276 1.00 0.00 O ATOM 1261 CB ILE A 85 12.911 7.269 -11.938 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.484 6.979 -11.470 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.425 6.145 -12.827 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.497 6.818 -12.605 1.00 0.00 C ATOM 0 H ILE A 85 15.815 7.210 -11.394 1.00 0.00 H new ATOM 0 HA ILE A 85 13.427 8.235 -10.072 1.00 0.00 H new ATOM 0 HB ILE A 85 12.900 8.189 -12.523 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.485 6.070 -10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.151 7.790 -10.822 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.754 6.017 -13.677 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.423 6.394 -13.187 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.466 5.218 -12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.506 6.614 -12.199 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.467 7.735 -13.194 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.806 5.989 -13.241 1.00 0.00 H new ATOM 1276 N ASP A 86 13.097 6.013 -8.931 1.00 0.00 N ATOM 1277 CA ASP A 86 13.070 4.803 -8.107 1.00 0.00 C ATOM 1278 C ASP A 86 11.975 3.851 -8.593 1.00 0.00 C ATOM 1279 O ASP A 86 10.791 4.188 -8.557 1.00 0.00 O ATOM 1280 CB ASP A 86 12.832 5.173 -6.641 1.00 0.00 C ATOM 1281 CG ASP A 86 13.016 3.992 -5.709 1.00 0.00 C ATOM 1282 OD1 ASP A 86 12.142 3.100 -5.702 1.00 0.00 O ATOM 1283 OD2 ASP A 86 14.034 3.960 -4.986 1.00 0.00 O ATOM 0 H ASP A 86 12.417 6.722 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 86 14.033 4.299 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.519 5.969 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.822 5.567 -6.528 1.00 0.00 H new ATOM 1288 N LEU A 87 12.380 2.672 -9.066 1.00 0.00 N ATOM 1289 CA LEU A 87 11.425 1.686 -9.588 1.00 0.00 C ATOM 1290 C LEU A 87 11.037 0.627 -8.553 1.00 0.00 C ATOM 1291 O LEU A 87 10.205 -0.234 -8.834 1.00 0.00 O ATOM 1292 CB LEU A 87 11.990 0.996 -10.828 1.00 0.00 C ATOM 1293 CG LEU A 87 12.769 1.903 -11.781 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.724 1.081 -12.629 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.819 2.699 -12.663 1.00 0.00 C ATOM 0 H LEU A 87 13.355 2.375 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 87 10.523 2.241 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.645 0.186 -10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.166 0.541 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 87 13.351 2.608 -11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.272 1.740 -13.303 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.428 0.558 -11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.159 0.354 -13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.394 3.338 -13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.208 2.014 -13.250 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.174 3.317 -12.038 1.00 0.00 H new ATOM 1307 N ASN A 88 11.652 0.662 -7.372 1.00 0.00 N ATOM 1308 CA ASN A 88 11.372 -0.330 -6.329 1.00 0.00 C ATOM 1309 C ASN A 88 9.871 -0.592 -6.172 1.00 0.00 C ATOM 1310 O ASN A 88 9.467 -1.676 -5.751 1.00 0.00 O ATOM 1311 CB ASN A 88 11.944 0.161 -4.996 1.00 0.00 C ATOM 1312 CG ASN A 88 11.838 -0.876 -3.897 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.324 -2.076 -4.177 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.330 -0.599 -2.810 1.00 0.00 N flip ATOM 0 H ASN A 88 12.346 1.363 -7.112 1.00 0.00 H new ATOM 0 HA ASN A 88 11.843 -1.267 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.990 0.434 -5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.417 1.064 -4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.969 0.340 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.270 -1.308 -2.079 1.00 0.00 H new ATOM 1321 N SER A 89 9.050 0.393 -6.512 1.00 0.00 N ATOM 1322 CA SER A 89 7.600 0.251 -6.400 1.00 0.00 C ATOM 1323 C SER A 89 6.980 -0.488 -7.592 1.00 0.00 C ATOM 1324 O SER A 89 6.056 -1.283 -7.421 1.00 0.00 O ATOM 1325 CB SER A 89 6.948 1.628 -6.259 1.00 0.00 C ATOM 1326 OG SER A 89 7.109 2.138 -4.947 1.00 0.00 O ATOM 0 H SER A 89 9.360 1.298 -6.867 1.00 0.00 H new ATOM 0 HA SER A 89 7.411 -0.350 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.390 2.318 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.887 1.557 -6.497 1.00 0.00 H new ATOM 0 HG SER A 89 6.685 3.019 -4.884 1.00 0.00 H new ATOM 1332 N VAL A 90 7.453 -0.189 -8.801 1.00 0.00 N ATOM 1333 CA VAL A 90 6.901 -0.802 -10.008 1.00 0.00 C ATOM 1334 C VAL A 90 7.295 -2.271 -10.181 1.00 0.00 C ATOM 1335 O VAL A 90 6.432 -3.125 -10.384 1.00 0.00 O ATOM 1336 CB VAL A 90 7.279 -0.002 -11.278 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.036 1.481 -11.058 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.725 -0.242 -11.682 1.00 0.00 C ATOM 0 H VAL A 90 8.213 0.470 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 90 5.820 -0.773 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 90 6.643 -0.353 -12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.306 2.032 -11.959 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.983 1.648 -10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.645 1.830 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.953 0.336 -12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.385 0.068 -10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.874 -1.302 -11.887 1.00 0.00 H new ATOM 1348 N ILE A 91 8.587 -2.569 -10.122 1.00 0.00 N ATOM 1349 CA ILE A 91 9.048 -3.941 -10.294 1.00 0.00 C ATOM 1350 C ILE A 91 8.920 -4.738 -8.994 1.00 0.00 C ATOM 1351 O ILE A 91 9.040 -4.189 -7.898 1.00 0.00 O ATOM 1352 CB ILE A 91 10.503 -3.992 -10.821 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.581 -3.375 -12.226 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.021 -5.424 -10.843 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.349 -2.070 -12.269 1.00 0.00 C ATOM 0 H ILE A 91 9.328 -1.887 -9.958 1.00 0.00 H new ATOM 0 HA ILE A 91 8.404 -4.403 -11.042 1.00 0.00 H new ATOM 0 HB ILE A 91 11.132 -3.412 -10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.053 -4.088 -12.902 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.570 -3.205 -12.597 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.045 -5.435 -11.217 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.999 -5.834 -9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.390 -6.029 -11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.365 -1.690 -13.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.865 -1.341 -11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.371 -2.238 -11.929 1.00 0.00 H new ATOM 1367 N GLU A 92 8.654 -6.035 -9.129 1.00 0.00 N ATOM 1368 CA GLU A 92 8.480 -6.918 -7.981 1.00 0.00 C ATOM 1369 C GLU A 92 9.145 -8.261 -8.251 1.00 0.00 C ATOM 1370 O GLU A 92 9.494 -8.557 -9.392 1.00 0.00 O ATOM 1371 CB GLU A 92 6.984 -7.135 -7.727 1.00 0.00 C ATOM 1372 CG GLU A 92 6.659 -7.596 -6.315 1.00 0.00 C ATOM 1373 CD GLU A 92 5.169 -7.592 -6.028 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.406 -8.158 -6.839 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.765 -7.023 -4.991 1.00 0.00 O ATOM 0 H GLU A 92 8.554 -6.500 -10.031 1.00 0.00 H new ATOM 0 HA GLU A 92 8.940 -6.460 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.453 -6.204 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.609 -7.874 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.051 -8.602 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.165 -6.947 -5.600 1.00 0.00 H new ATOM 1382 N ASN A 93 9.328 -9.081 -7.216 1.00 0.00 N ATOM 1383 CA ASN A 93 9.954 -10.385 -7.397 1.00 0.00 C ATOM 1384 C ASN A 93 8.915 -11.491 -7.284 1.00 0.00 C ATOM 1385 O ASN A 93 8.539 -11.903 -6.187 1.00 0.00 O ATOM 1386 CB ASN A 93 11.056 -10.602 -6.356 1.00 0.00 C ATOM 1387 CG ASN A 93 11.734 -11.953 -6.499 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.597 -12.625 -7.522 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.470 -12.360 -5.470 1.00 0.00 N ATOM 0 H ASN A 93 9.055 -8.867 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 93 10.399 -10.414 -8.392 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.802 -9.813 -6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.629 -10.518 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.948 -13.260 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.557 -11.772 -4.641 1.00 0.00 H new ATOM 1396 N VAL A 94 8.473 -11.973 -8.435 1.00 0.00 N ATOM 1397 CA VAL A 94 7.490 -13.043 -8.497 1.00 0.00 C ATOM 1398 C VAL A 94 8.173 -14.387 -8.729 1.00 0.00 C ATOM 1399 O VAL A 94 8.506 -14.730 -9.862 1.00 0.00 O ATOM 1400 CB VAL A 94 6.452 -12.792 -9.608 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.396 -13.888 -9.616 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.806 -11.425 -9.429 1.00 0.00 C ATOM 0 H VAL A 94 8.783 -11.636 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 94 6.971 -13.063 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 94 6.965 -12.809 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.673 -13.691 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.873 -14.852 -9.792 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.884 -13.907 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.075 -11.261 -10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.308 -11.382 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.572 -10.651 -9.477 1.00 0.00 H new ATOM 1412 N ASP A 95 8.388 -15.144 -7.657 1.00 0.00 N ATOM 1413 CA ASP A 95 9.036 -16.450 -7.757 1.00 0.00 C ATOM 1414 C ASP A 95 10.375 -16.363 -8.484 1.00 0.00 C ATOM 1415 O ASP A 95 10.774 -17.298 -9.178 1.00 0.00 O ATOM 1416 CB ASP A 95 8.125 -17.456 -8.459 1.00 0.00 C ATOM 1417 CG ASP A 95 8.558 -18.888 -8.213 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.206 -19.144 -7.174 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.252 -19.754 -9.059 1.00 0.00 O ATOM 0 H ASP A 95 8.123 -14.877 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 95 9.226 -16.793 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.101 -17.322 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.124 -17.257 -9.531 1.00 0.00 H new ATOM 1424 N GLY A 96 11.068 -15.241 -8.312 1.00 0.00 N ATOM 1425 CA GLY A 96 12.367 -15.064 -8.944 1.00 0.00 C ATOM 1426 C GLY A 96 12.302 -14.373 -10.295 1.00 0.00 C ATOM 1427 O GLY A 96 13.156 -14.601 -11.151 1.00 0.00 O ATOM 0 H GLY A 96 10.755 -14.451 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.008 -14.484 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.837 -16.040 -9.068 1.00 0.00 H new ATOM 1431 N SER A 97 11.295 -13.528 -10.491 1.00 0.00 N ATOM 1432 CA SER A 97 11.144 -12.810 -11.751 1.00 0.00 C ATOM 1433 C SER A 97 10.667 -11.381 -11.515 1.00 0.00 C ATOM 1434 O SER A 97 9.788 -11.136 -10.688 1.00 0.00 O ATOM 1435 CB SER A 97 10.163 -13.544 -12.669 1.00 0.00 C ATOM 1436 OG SER A 97 10.815 -14.578 -13.388 1.00 0.00 O ATOM 0 H SER A 97 10.575 -13.324 -9.798 1.00 0.00 H new ATOM 0 HA SER A 97 12.121 -12.770 -12.233 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.351 -13.965 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.715 -12.837 -13.368 1.00 0.00 H new ATOM 0 HG SER A 97 11.648 -14.819 -12.931 1.00 0.00 H new ATOM 1442 N LEU A 98 11.254 -10.440 -12.250 1.00 0.00 N ATOM 1443 CA LEU A 98 10.887 -9.037 -12.123 1.00 0.00 C ATOM 1444 C LEU A 98 9.532 -8.783 -12.770 1.00 0.00 C ATOM 1445 O LEU A 98 9.349 -9.022 -13.963 1.00 0.00 O ATOM 1446 CB LEU A 98 11.951 -8.143 -12.768 1.00 0.00 C ATOM 1447 CG LEU A 98 13.373 -8.346 -12.244 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.337 -7.385 -12.923 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.414 -8.164 -10.734 1.00 0.00 C ATOM 0 H LEU A 98 11.984 -10.625 -12.938 1.00 0.00 H new ATOM 0 HA LEU A 98 10.822 -8.794 -11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.948 -8.319 -13.844 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.669 -7.101 -12.615 1.00 0.00 H new ATOM 0 HG LEU A 98 13.683 -9.364 -12.478 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.343 -7.545 -12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.329 -7.561 -13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.030 -6.359 -12.721 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.433 -8.312 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.083 -7.157 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.755 -8.893 -10.262 1.00 0.00 H new ATOM 1461 N LYS A 99 8.578 -8.319 -11.968 1.00 0.00 N ATOM 1462 CA LYS A 99 7.229 -8.054 -12.456 1.00 0.00 C ATOM 1463 C LYS A 99 6.802 -6.617 -12.189 1.00 0.00 C ATOM 1464 O LYS A 99 7.067 -6.064 -11.125 1.00 0.00 O ATOM 1465 CB LYS A 99 6.240 -9.019 -11.799 1.00 0.00 C ATOM 1466 CG LYS A 99 6.201 -10.393 -12.455 1.00 0.00 C ATOM 1467 CD LYS A 99 4.785 -10.793 -12.840 1.00 0.00 C ATOM 1468 CE LYS A 99 4.687 -12.277 -13.152 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.273 -12.712 -13.312 1.00 0.00 N ATOM 0 H LYS A 99 8.715 -8.119 -10.977 1.00 0.00 H new ATOM 0 HA LYS A 99 7.231 -8.205 -13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.503 -9.135 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.242 -8.582 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.833 -10.390 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.615 -11.134 -11.772 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.103 -10.546 -12.026 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.467 -10.216 -13.709 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.241 -12.494 -14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.156 -12.849 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.245 -13.730 -13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.751 -12.527 -12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.833 -12.183 -14.092 1.00 0.00 H new ATOM 1483 N TYR A 100 6.131 -6.024 -13.171 1.00 0.00 N ATOM 1484 CA TYR A 100 5.651 -4.652 -13.062 1.00 0.00 C ATOM 1485 C TYR A 100 4.292 -4.622 -12.370 1.00 0.00 C ATOM 1486 O TYR A 100 4.107 -3.930 -11.369 1.00 0.00 O ATOM 1487 CB TYR A 100 5.550 -4.025 -14.455 1.00 0.00 C ATOM 1488 CG TYR A 100 5.478 -2.515 -14.453 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.272 -1.861 -14.245 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.614 -1.744 -14.670 1.00 0.00 C ATOM 1491 CE1 TYR A 100 4.197 -0.481 -14.251 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.548 -0.363 -14.680 1.00 0.00 C ATOM 1493 CZ TYR A 100 5.338 0.263 -14.470 1.00 0.00 C ATOM 1494 OH TYR A 100 5.267 1.637 -14.480 1.00 0.00 O ATOM 0 H TYR A 100 5.906 -6.476 -14.057 1.00 0.00 H new ATOM 0 HA TYR A 100 6.357 -4.076 -12.464 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.413 -4.335 -15.044 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.665 -4.419 -14.955 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.376 -2.440 -14.075 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.564 -2.232 -14.833 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.251 0.012 -14.085 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.440 0.222 -14.851 1.00 0.00 H new ATOM 0 HH TYR A 100 6.154 2.012 -14.296 1.00 0.00 H new