USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 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 -34:sc= -0.238 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= -0.214 USER MOD Set 2.1: A 17 SER OG : rot -160:sc= -1.19 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN : amide:sc= -4.2! C(o=-7.1!,f=-6.6!) USER MOD Set 3.2: A 58 THR OG1 : rot 118:sc= -2.86! USER MOD Set 4.1: A 7 THR OG1 : rot -140:sc= 0.41 USER MOD Set 4.2: A 93 ASN : amide:sc= 0.24! C(o=0.65!,f=-6.5!) USER MOD Single : A 10 ASN : amide:sc= -9.05! C(o=-9.1!,f=-17!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.943 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000639 USER MOD Single : A 28 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 29 GLN : amide:sc=-0.00892 X(o=-0.0089,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 70:sc= -0.943 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.13! C(o=-3.1!,f=-12!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -3.39! F(o=-4.6,f=-3.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0327) USER MOD Single : A 51 GLN : amide:sc= -0.0125 K(o=-0.013,f=-0.52) USER MOD Single : A 53 SER OG : rot 180:sc= -3.84! USER MOD Single : A 54 ASN : amide:sc= -3.59! C(o=-3.6!,f=-5.6!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -24:sc= 0.126 USER MOD Single : A 61 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.54) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 0.635 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 146:sc= 0.523 USER MOD Single : A 77 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.3) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.33 K(o=-1.3,f=-8.5!) USER MOD Single : A 82 THR OG1 : rot 44:sc= 0.784 USER MOD Single : A 83 SER OG : rot -120:sc= -2.28! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.86! C(o=-7.1!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -90:sc= 0.637 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.007 -4.947 -5.235 1.00 0.00 N ATOM 59 CA PHE A 4 11.780 -6.006 -5.887 1.00 0.00 C ATOM 60 C PHE A 4 13.243 -5.980 -5.445 1.00 0.00 C ATOM 61 O PHE A 4 13.865 -7.027 -5.275 1.00 0.00 O ATOM 62 CB PHE A 4 11.680 -5.881 -7.412 1.00 0.00 C ATOM 63 CG PHE A 4 12.542 -4.800 -8.001 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.129 -3.479 -7.980 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.765 -5.108 -8.573 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.922 -2.483 -8.518 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.562 -4.117 -9.114 1.00 0.00 C ATOM 68 CZ PHE A 4 14.139 -2.803 -9.086 1.00 0.00 C ATOM 0 HA PHE A 4 11.356 -6.963 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.955 -6.835 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.642 -5.689 -7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.177 -3.224 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.100 -6.135 -8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.590 -1.456 -8.494 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.514 -4.370 -9.558 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.760 -2.026 -9.508 1.00 0.00 H new ATOM 78 N ILE A 5 13.793 -4.781 -5.259 1.00 0.00 N ATOM 79 CA ILE A 5 15.186 -4.645 -4.840 1.00 0.00 C ATOM 80 C ILE A 5 15.391 -5.143 -3.411 1.00 0.00 C ATOM 81 O ILE A 5 16.524 -5.301 -2.957 1.00 0.00 O ATOM 82 CB ILE A 5 15.660 -3.177 -4.938 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.188 -3.103 -4.877 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.040 -2.330 -3.831 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.862 -3.410 -6.196 1.00 0.00 C ATOM 0 H ILE A 5 13.300 -3.898 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 5 15.779 -5.259 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 5 15.330 -2.777 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.482 -2.105 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.548 -3.803 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.389 -1.301 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.954 -2.354 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.334 -2.729 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.943 -3.339 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.598 -4.419 -6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.532 -2.694 -6.949 1.00 0.00 H new ATOM 97 N GLU A 6 14.294 -5.406 -2.711 1.00 0.00 N ATOM 98 CA GLU A 6 14.371 -5.899 -1.343 1.00 0.00 C ATOM 99 C GLU A 6 14.726 -7.384 -1.321 1.00 0.00 C ATOM 100 O GLU A 6 15.295 -7.883 -0.349 1.00 0.00 O ATOM 101 CB GLU A 6 13.045 -5.668 -0.618 1.00 0.00 C ATOM 102 CG GLU A 6 12.846 -4.234 -0.154 1.00 0.00 C ATOM 103 CD GLU A 6 13.255 -4.027 1.291 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.473 -3.986 1.564 1.00 0.00 O ATOM 105 OE2 GLU A 6 12.357 -3.908 2.151 1.00 0.00 O ATOM 0 H GLU A 6 13.345 -5.287 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 6 15.157 -5.347 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.225 -5.943 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.993 -6.331 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.426 -3.566 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.798 -3.959 -0.274 1.00 0.00 H new ATOM 112 N THR A 7 14.390 -8.085 -2.402 1.00 0.00 N ATOM 113 CA THR A 7 14.676 -9.511 -2.511 1.00 0.00 C ATOM 114 C THR A 7 15.615 -9.813 -3.680 1.00 0.00 C ATOM 115 O THR A 7 15.985 -10.966 -3.904 1.00 0.00 O ATOM 116 CB THR A 7 13.376 -10.298 -2.675 1.00 0.00 C ATOM 117 OG1 THR A 7 12.693 -9.899 -3.851 1.00 0.00 O ATOM 118 CG2 THR A 7 12.425 -10.126 -1.511 1.00 0.00 C ATOM 0 H THR A 7 13.919 -7.687 -3.215 1.00 0.00 H new ATOM 0 HA THR A 7 15.175 -9.817 -1.592 1.00 0.00 H new ATOM 0 HB THR A 7 13.675 -11.345 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.730 -9.858 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.522 -10.710 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.905 -10.471 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.162 -9.073 -1.409 1.00 0.00 H new ATOM 126 N CYS A 8 15.986 -8.783 -4.435 1.00 0.00 N ATOM 127 CA CYS A 8 16.868 -8.964 -5.578 1.00 0.00 C ATOM 128 C CYS A 8 18.238 -8.349 -5.318 1.00 0.00 C ATOM 129 O CYS A 8 18.373 -7.399 -4.547 1.00 0.00 O ATOM 130 CB CYS A 8 16.248 -8.352 -6.837 1.00 0.00 C ATOM 131 SG CYS A 8 14.579 -8.976 -7.224 1.00 0.00 S ATOM 0 H CYS A 8 15.690 -7.820 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 8 16.998 -10.035 -5.733 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.201 -7.270 -6.716 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.904 -8.550 -7.685 1.00 0.00 H new ATOM 136 N ARG A 9 19.249 -8.900 -5.975 1.00 0.00 N ATOM 137 CA ARG A 9 20.614 -8.420 -5.827 1.00 0.00 C ATOM 138 C ARG A 9 21.273 -8.249 -7.190 1.00 0.00 C ATOM 139 O ARG A 9 20.699 -8.624 -8.212 1.00 0.00 O ATOM 140 CB ARG A 9 21.429 -9.386 -4.965 1.00 0.00 C ATOM 141 CG ARG A 9 21.328 -10.836 -5.410 1.00 0.00 C ATOM 142 CD ARG A 9 22.193 -11.741 -4.548 1.00 0.00 C ATOM 143 NE ARG A 9 23.484 -12.023 -5.172 1.00 0.00 N ATOM 144 CZ ARG A 9 23.629 -12.742 -6.283 1.00 0.00 C ATOM 145 NH1 ARG A 9 22.566 -13.247 -6.898 1.00 0.00 N ATOM 146 NH2 ARG A 9 24.839 -12.955 -6.782 1.00 0.00 N ATOM 0 H ARG A 9 19.147 -9.684 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 9 20.583 -7.449 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.475 -9.081 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.093 -9.308 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.290 -11.163 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.636 -10.921 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.354 -11.271 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.667 -12.678 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 9 24.323 -11.647 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.633 -13.085 -6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.683 -13.797 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.659 -12.568 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.950 -13.506 -7.633 1.00 0.00 H new ATOM 160 N ASN A 10 22.474 -7.675 -7.198 1.00 0.00 N ATOM 161 CA ASN A 10 23.226 -7.448 -8.432 1.00 0.00 C ATOM 162 C ASN A 10 22.380 -6.758 -9.499 1.00 0.00 C ATOM 163 O ASN A 10 22.234 -7.260 -10.614 1.00 0.00 O ATOM 164 CB ASN A 10 23.804 -8.766 -8.967 1.00 0.00 C ATOM 165 CG ASN A 10 22.743 -9.742 -9.436 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.157 -10.469 -8.634 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.498 -9.773 -10.741 1.00 0.00 N ATOM 0 H ASN A 10 22.952 -7.356 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 10 24.051 -6.778 -8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.479 -8.549 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.400 -9.237 -8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.801 -10.417 -11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.007 -9.153 -11.370 1.00 0.00 H new ATOM 174 N THR A 11 21.843 -5.591 -9.158 1.00 0.00 N ATOM 175 CA THR A 11 21.040 -4.824 -10.098 1.00 0.00 C ATOM 176 C THR A 11 21.947 -4.069 -11.064 1.00 0.00 C ATOM 177 O THR A 11 22.913 -3.428 -10.652 1.00 0.00 O ATOM 178 CB THR A 11 20.118 -3.855 -9.356 1.00 0.00 C ATOM 179 OG1 THR A 11 20.791 -3.261 -8.260 1.00 0.00 O ATOM 180 CG2 THR A 11 18.865 -4.516 -8.825 1.00 0.00 C ATOM 0 H THR A 11 21.950 -5.159 -8.240 1.00 0.00 H new ATOM 0 HA THR A 11 20.417 -5.513 -10.668 1.00 0.00 H new ATOM 0 HB THR A 11 19.830 -3.105 -10.093 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.716 -3.061 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.254 -3.776 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.299 -4.941 -9.654 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.139 -5.309 -8.129 1.00 0.00 H new ATOM 188 N GLN A 12 21.631 -4.156 -12.349 1.00 0.00 N ATOM 189 CA GLN A 12 22.424 -3.489 -13.377 1.00 0.00 C ATOM 190 C GLN A 12 21.608 -3.256 -14.639 1.00 0.00 C ATOM 191 O GLN A 12 20.557 -3.868 -14.832 1.00 0.00 O ATOM 192 CB GLN A 12 23.685 -4.295 -13.697 1.00 0.00 C ATOM 193 CG GLN A 12 23.404 -5.710 -14.173 1.00 0.00 C ATOM 194 CD GLN A 12 24.413 -6.189 -15.199 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.062 -6.478 -16.343 1.00 0.00 O ATOM 196 NE2 GLN A 12 25.675 -6.275 -14.794 1.00 0.00 N ATOM 0 H GLN A 12 20.832 -4.681 -12.706 1.00 0.00 H new ATOM 0 HA GLN A 12 22.724 -2.517 -12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.255 -3.770 -14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.312 -4.339 -12.807 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.412 -6.386 -13.318 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.404 -5.753 -14.604 1.00 0.00 H new ATOM 0 HE21 GLN A 12 25.921 -6.025 -13.836 1.00 0.00 H new ATOM 0 HE22 GLN A 12 26.398 -6.591 -15.441 1.00 0.00 H new ATOM 205 N LEU A 13 22.100 -2.370 -15.496 1.00 0.00 N ATOM 206 CA LEU A 13 21.414 -2.057 -16.739 1.00 0.00 C ATOM 207 C LEU A 13 22.006 -2.844 -17.894 1.00 0.00 C ATOM 208 O LEU A 13 23.225 -2.947 -18.037 1.00 0.00 O ATOM 209 CB LEU A 13 21.517 -0.567 -17.052 1.00 0.00 C ATOM 210 CG LEU A 13 20.837 -0.142 -18.358 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.673 0.783 -18.066 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.829 0.526 -19.304 1.00 0.00 C ATOM 0 H LEU A 13 22.970 -1.857 -15.352 1.00 0.00 H new ATOM 0 HA LEU A 13 20.366 -2.330 -16.614 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.077 -0.005 -16.229 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.570 -0.291 -17.099 1.00 0.00 H new ATOM 0 HG LEU A 13 20.458 -1.037 -18.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.199 1.078 -19.002 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.947 0.267 -17.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.035 1.671 -17.548 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.318 0.816 -20.222 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.248 1.412 -18.826 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.632 -0.172 -19.541 1.00 0.00 H new ATOM 224 N ALA A 14 21.129 -3.385 -18.723 1.00 0.00 N ATOM 225 CA ALA A 14 21.532 -4.152 -19.885 1.00 0.00 C ATOM 226 C ALA A 14 20.973 -3.490 -21.134 1.00 0.00 C ATOM 227 O ALA A 14 19.889 -2.909 -21.096 1.00 0.00 O ATOM 228 CB ALA A 14 21.040 -5.586 -19.764 1.00 0.00 C ATOM 0 H ALA A 14 20.119 -3.304 -18.608 1.00 0.00 H new ATOM 0 HA ALA A 14 22.620 -4.176 -19.952 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.349 -6.152 -20.643 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.466 -6.042 -18.870 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.952 -5.593 -19.692 1.00 0.00 H new ATOM 234 N GLY A 15 21.711 -3.549 -22.232 1.00 0.00 N ATOM 235 CA GLY A 15 21.242 -2.914 -23.449 1.00 0.00 C ATOM 236 C GLY A 15 21.014 -1.429 -23.240 1.00 0.00 C ATOM 237 O GLY A 15 21.667 -0.815 -22.396 1.00 0.00 O ATOM 0 H GLY A 15 22.614 -4.018 -22.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.971 -3.064 -24.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.314 -3.385 -23.774 1.00 0.00 H new ATOM 241 N SER A 16 20.118 -0.837 -24.021 1.00 0.00 N ATOM 242 CA SER A 16 19.861 0.596 -23.915 1.00 0.00 C ATOM 243 C SER A 16 18.823 0.933 -22.849 1.00 0.00 C ATOM 244 O SER A 16 18.940 1.958 -22.177 1.00 0.00 O ATOM 245 CB SER A 16 19.375 1.139 -25.256 1.00 0.00 C ATOM 246 OG SER A 16 20.081 0.550 -26.334 1.00 0.00 O ATOM 0 H SER A 16 19.562 -1.320 -24.727 1.00 0.00 H new ATOM 0 HA SER A 16 20.804 1.060 -23.626 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.309 0.942 -25.366 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.504 2.221 -25.281 1.00 0.00 H new ATOM 0 HG SER A 16 19.749 0.914 -27.181 1.00 0.00 H new ATOM 252 N SER A 17 17.799 0.097 -22.696 1.00 0.00 N ATOM 253 CA SER A 17 16.763 0.374 -21.714 1.00 0.00 C ATOM 254 C SER A 17 16.298 -0.883 -20.981 1.00 0.00 C ATOM 255 O SER A 17 15.120 -1.012 -20.650 1.00 0.00 O ATOM 256 CB SER A 17 15.580 1.052 -22.402 1.00 0.00 C ATOM 257 OG SER A 17 15.329 0.476 -23.672 1.00 0.00 O ATOM 0 H SER A 17 17.668 -0.762 -23.230 1.00 0.00 H new ATOM 0 HA SER A 17 17.190 1.037 -20.962 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.692 0.962 -21.777 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.783 2.117 -22.516 1.00 0.00 H new ATOM 0 HG SER A 17 14.805 1.100 -24.216 1.00 0.00 H new ATOM 263 N GLU A 18 17.221 -1.802 -20.717 1.00 0.00 N ATOM 264 CA GLU A 18 16.884 -3.031 -20.003 1.00 0.00 C ATOM 265 C GLU A 18 17.609 -3.125 -18.672 1.00 0.00 C ATOM 266 O GLU A 18 18.736 -2.657 -18.529 1.00 0.00 O ATOM 267 CB GLU A 18 17.197 -4.273 -20.837 1.00 0.00 C ATOM 268 CG GLU A 18 16.123 -4.609 -21.850 1.00 0.00 C ATOM 269 CD GLU A 18 16.382 -3.993 -23.210 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.041 -2.933 -23.266 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.924 -4.568 -24.220 1.00 0.00 O ATOM 0 H GLU A 18 18.202 -1.721 -20.984 1.00 0.00 H new ATOM 0 HA GLU A 18 15.811 -2.992 -19.817 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.142 -4.122 -21.359 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.334 -5.124 -20.169 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.055 -5.692 -21.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.159 -4.263 -21.478 1.00 0.00 H new ATOM 278 N LEU A 19 16.952 -3.750 -17.707 1.00 0.00 N ATOM 279 CA LEU A 19 17.522 -3.942 -16.384 1.00 0.00 C ATOM 280 C LEU A 19 17.568 -5.432 -16.076 1.00 0.00 C ATOM 281 O LEU A 19 16.547 -6.116 -16.149 1.00 0.00 O ATOM 282 CB LEU A 19 16.691 -3.202 -15.329 1.00 0.00 C ATOM 283 CG LEU A 19 16.875 -3.686 -13.888 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.288 -3.395 -13.404 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.849 -3.034 -12.973 1.00 0.00 C ATOM 0 H LEU A 19 16.014 -4.136 -17.818 1.00 0.00 H new ATOM 0 HA LEU A 19 18.533 -3.535 -16.362 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.941 -2.142 -15.373 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.637 -3.292 -15.593 1.00 0.00 H new ATOM 0 HG LEU A 19 16.720 -4.765 -13.863 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.401 -3.746 -12.378 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.005 -3.909 -14.044 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.472 -2.321 -13.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.994 -3.389 -11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.972 -1.951 -13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.845 -3.294 -13.308 1.00 0.00 H new ATOM 297 N ALA A 20 18.739 -5.942 -15.727 1.00 0.00 N ATOM 298 CA ALA A 20 18.873 -7.351 -15.411 1.00 0.00 C ATOM 299 C ALA A 20 19.324 -7.523 -13.966 1.00 0.00 C ATOM 300 O ALA A 20 20.116 -6.732 -13.453 1.00 0.00 O ATOM 301 CB ALA A 20 19.835 -8.012 -16.384 1.00 0.00 C ATOM 0 H ALA A 20 19.603 -5.404 -15.656 1.00 0.00 H new ATOM 0 HA ALA A 20 17.905 -7.841 -15.515 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.930 -9.070 -16.140 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.454 -7.907 -17.400 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.812 -7.534 -16.311 1.00 0.00 H new ATOM 307 N ALA A 21 18.800 -8.546 -13.306 1.00 0.00 N ATOM 308 CA ALA A 21 19.129 -8.802 -11.911 1.00 0.00 C ATOM 309 C ALA A 21 18.795 -10.235 -11.523 1.00 0.00 C ATOM 310 O ALA A 21 18.144 -10.956 -12.277 1.00 0.00 O ATOM 311 CB ALA A 21 18.395 -7.821 -11.010 1.00 0.00 C ATOM 0 H ALA A 21 18.145 -9.213 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 21 20.202 -8.662 -11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.649 -8.023 -9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.689 -6.803 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.320 -7.934 -11.149 1.00 0.00 H new ATOM 317 N GLU A 22 19.199 -10.630 -10.324 1.00 0.00 N ATOM 318 CA GLU A 22 18.892 -11.958 -9.821 1.00 0.00 C ATOM 319 C GLU A 22 17.964 -11.819 -8.623 1.00 0.00 C ATOM 320 O GLU A 22 18.184 -10.970 -7.758 1.00 0.00 O ATOM 321 CB GLU A 22 20.167 -12.707 -9.427 1.00 0.00 C ATOM 322 CG GLU A 22 21.074 -13.021 -10.605 1.00 0.00 C ATOM 323 CD GLU A 22 22.530 -13.152 -10.203 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.866 -14.128 -9.501 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.333 -12.276 -10.588 1.00 0.00 O ATOM 0 H GLU A 22 19.740 -10.049 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 22 18.404 -12.537 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.720 -12.110 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.893 -13.638 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.746 -13.949 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.977 -12.234 -11.353 1.00 0.00 H new ATOM 332 N CYS A 23 16.918 -12.629 -8.573 1.00 0.00 N ATOM 333 CA CYS A 23 15.971 -12.545 -7.475 1.00 0.00 C ATOM 334 C CYS A 23 15.696 -13.909 -6.865 1.00 0.00 C ATOM 335 O CYS A 23 15.471 -14.890 -7.574 1.00 0.00 O ATOM 336 CB CYS A 23 14.666 -11.914 -7.958 1.00 0.00 C ATOM 337 SG CYS A 23 14.883 -10.285 -8.745 1.00 0.00 S ATOM 0 H CYS A 23 16.706 -13.343 -9.270 1.00 0.00 H new ATOM 0 HA CYS A 23 16.413 -11.918 -6.701 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.188 -12.589 -8.668 1.00 0.00 H new ATOM 0 HB3 CYS A 23 13.988 -11.810 -7.111 1.00 0.00 H new ATOM 342 N LYS A 24 15.733 -13.961 -5.543 1.00 0.00 N ATOM 343 CA LYS A 24 15.497 -15.202 -4.827 1.00 0.00 C ATOM 344 C LYS A 24 14.060 -15.677 -5.000 1.00 0.00 C ATOM 345 O LYS A 24 13.114 -14.894 -4.912 1.00 0.00 O ATOM 346 CB LYS A 24 15.824 -15.032 -3.343 1.00 0.00 C ATOM 347 CG LYS A 24 15.005 -13.951 -2.657 1.00 0.00 C ATOM 348 CD LYS A 24 14.827 -14.243 -1.174 1.00 0.00 C ATOM 349 CE LYS A 24 15.289 -13.078 -0.314 1.00 0.00 C ATOM 350 NZ LYS A 24 15.127 -13.362 1.138 1.00 0.00 N ATOM 0 H LYS A 24 15.924 -13.157 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 24 16.155 -15.961 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.658 -15.981 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.883 -14.795 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.496 -12.986 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.028 -13.876 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.778 -14.454 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.390 -15.138 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.336 -12.862 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.720 -12.186 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.453 -12.543 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.124 -13.543 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.690 -14.198 1.393 1.00 0.00 H new ATOM 364 N THR A 25 13.915 -16.973 -5.244 1.00 0.00 N ATOM 365 CA THR A 25 12.604 -17.580 -5.432 1.00 0.00 C ATOM 366 C THR A 25 11.982 -17.934 -4.087 1.00 0.00 C ATOM 367 O THR A 25 12.553 -17.645 -3.036 1.00 0.00 O ATOM 368 CB THR A 25 12.722 -18.831 -6.302 1.00 0.00 C ATOM 369 OG1 THR A 25 13.659 -19.738 -5.750 1.00 0.00 O ATOM 370 CG2 THR A 25 13.152 -18.533 -7.722 1.00 0.00 C ATOM 0 H THR A 25 14.694 -17.627 -5.317 1.00 0.00 H new ATOM 0 HA THR A 25 11.958 -16.860 -5.935 1.00 0.00 H new ATOM 0 HB THR A 25 11.721 -19.263 -6.326 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.720 -20.533 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.216 -19.464 -8.286 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.423 -17.874 -8.192 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.127 -18.047 -7.712 1.00 0.00 H new ATOM 378 N ARG A 26 10.808 -18.553 -4.122 1.00 0.00 N ATOM 379 CA ARG A 26 10.115 -18.938 -2.898 1.00 0.00 C ATOM 380 C ARG A 26 10.935 -19.944 -2.094 1.00 0.00 C ATOM 381 O ARG A 26 10.829 -20.006 -0.869 1.00 0.00 O ATOM 382 CB ARG A 26 8.743 -19.528 -3.228 1.00 0.00 C ATOM 383 CG ARG A 26 7.864 -18.600 -4.052 1.00 0.00 C ATOM 384 CD ARG A 26 6.843 -17.882 -3.184 1.00 0.00 C ATOM 385 NE ARG A 26 5.602 -17.611 -3.907 1.00 0.00 N ATOM 386 CZ ARG A 26 4.529 -17.050 -3.352 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.545 -16.693 -2.074 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.438 -16.843 -4.077 1.00 0.00 N ATOM 0 H ARG A 26 10.317 -18.799 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 26 9.983 -18.042 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.880 -20.463 -3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.229 -19.772 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.487 -17.867 -4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.349 -19.174 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.625 -18.488 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.267 -16.943 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 26 5.555 -17.866 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.382 -16.848 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.721 -16.264 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.420 -17.113 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.617 -16.413 -3.651 1.00 0.00 H new ATOM 402 N ALA A 27 11.732 -20.750 -2.792 1.00 0.00 N ATOM 403 CA ALA A 27 12.546 -21.770 -2.140 1.00 0.00 C ATOM 404 C ALA A 27 13.845 -21.204 -1.565 1.00 0.00 C ATOM 405 O ALA A 27 14.728 -21.962 -1.163 1.00 0.00 O ATOM 406 CB ALA A 27 12.850 -22.898 -3.114 1.00 0.00 C ATOM 0 H ALA A 27 11.831 -20.716 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 27 11.967 -22.156 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.458 -23.654 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.917 -23.348 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.393 -22.502 -3.972 1.00 0.00 H new ATOM 412 N GLN A 28 13.976 -19.879 -1.544 1.00 0.00 N ATOM 413 CA GLN A 28 15.187 -19.235 -1.037 1.00 0.00 C ATOM 414 C GLN A 28 16.388 -19.525 -1.932 1.00 0.00 C ATOM 415 O GLN A 28 17.514 -19.673 -1.458 1.00 0.00 O ATOM 416 CB GLN A 28 15.482 -19.707 0.388 1.00 0.00 C ATOM 417 CG GLN A 28 14.265 -19.695 1.297 1.00 0.00 C ATOM 418 CD GLN A 28 14.606 -19.293 2.718 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.505 -18.484 2.947 1.00 0.00 O ATOM 420 NE2 GLN A 28 13.888 -19.858 3.681 1.00 0.00 N ATOM 0 H GLN A 28 13.260 -19.231 -1.872 1.00 0.00 H new ATOM 0 HA GLN A 28 15.013 -18.159 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.887 -20.718 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.254 -19.070 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.523 -19.005 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.810 -20.685 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.152 -20.524 3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.072 -19.626 4.657 1.00 0.00 H new ATOM 429 N GLN A 29 16.134 -19.564 -3.234 1.00 0.00 N ATOM 430 CA GLN A 29 17.179 -19.792 -4.225 1.00 0.00 C ATOM 431 C GLN A 29 17.269 -18.578 -5.143 1.00 0.00 C ATOM 432 O GLN A 29 16.246 -18.026 -5.537 1.00 0.00 O ATOM 433 CB GLN A 29 16.884 -21.056 -5.034 1.00 0.00 C ATOM 434 CG GLN A 29 16.554 -22.262 -4.169 1.00 0.00 C ATOM 435 CD GLN A 29 16.730 -23.576 -4.904 1.00 0.00 C ATOM 436 OE1 GLN A 29 17.853 -24.024 -5.139 1.00 0.00 O ATOM 437 NE2 GLN A 29 15.618 -24.202 -5.271 1.00 0.00 N ATOM 0 H GLN A 29 15.203 -19.439 -3.632 1.00 0.00 H new ATOM 0 HA GLN A 29 18.134 -19.934 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.049 -20.861 -5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.747 -21.290 -5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.193 -22.256 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.525 -22.182 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.708 -23.794 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.674 -25.091 -5.768 1.00 0.00 H new ATOM 446 N PHE A 30 18.484 -18.144 -5.466 1.00 0.00 N ATOM 447 CA PHE A 30 18.665 -16.971 -6.322 1.00 0.00 C ATOM 448 C PHE A 30 18.832 -17.364 -7.786 1.00 0.00 C ATOM 449 O PHE A 30 19.689 -18.179 -8.128 1.00 0.00 O ATOM 450 CB PHE A 30 19.880 -16.164 -5.861 1.00 0.00 C ATOM 451 CG PHE A 30 19.612 -15.317 -4.649 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.763 -15.840 -3.375 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.205 -13.998 -4.785 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.515 -15.064 -2.258 1.00 0.00 C ATOM 455 CE2 PHE A 30 18.956 -13.218 -3.672 1.00 0.00 C ATOM 456 CZ PHE A 30 19.111 -13.751 -2.407 1.00 0.00 C ATOM 0 H PHE A 30 19.351 -18.580 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 30 17.767 -16.359 -6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.699 -16.849 -5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.211 -15.522 -6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.078 -16.866 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.081 -13.576 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.637 -15.483 -1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 30 18.640 -12.192 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 30 18.917 -13.143 -1.536 1.00 0.00 H new ATOM 466 N VAL A 31 18.009 -16.773 -8.649 1.00 0.00 N ATOM 467 CA VAL A 31 18.068 -17.056 -10.075 1.00 0.00 C ATOM 468 C VAL A 31 18.096 -15.766 -10.889 1.00 0.00 C ATOM 469 O VAL A 31 17.615 -14.725 -10.441 1.00 0.00 O ATOM 470 CB VAL A 31 16.872 -17.914 -10.530 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.944 -19.301 -9.908 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.558 -17.232 -10.179 1.00 0.00 C ATOM 0 H VAL A 31 17.294 -16.096 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 31 18.989 -17.613 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 31 16.918 -18.023 -11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.091 -19.893 -10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.868 -19.790 -10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.924 -19.214 -8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.726 -17.854 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.499 -17.089 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.506 -16.264 -10.677 1.00 0.00 H new ATOM 482 N SER A 32 18.686 -15.835 -12.077 1.00 0.00 N ATOM 483 CA SER A 32 18.797 -14.666 -12.944 1.00 0.00 C ATOM 484 C SER A 32 17.453 -14.302 -13.569 1.00 0.00 C ATOM 485 O SER A 32 16.734 -15.162 -14.077 1.00 0.00 O ATOM 486 CB SER A 32 19.832 -14.918 -14.042 1.00 0.00 C ATOM 487 OG SER A 32 21.150 -14.850 -13.525 1.00 0.00 O ATOM 0 H SER A 32 19.095 -16.687 -12.462 1.00 0.00 H new ATOM 0 HA SER A 32 19.120 -13.827 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.663 -15.898 -14.488 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.711 -14.181 -14.836 1.00 0.00 H new ATOM 0 HG SER A 32 21.793 -15.016 -14.246 1.00 0.00 H new ATOM 493 N THR A 33 17.132 -13.011 -13.533 1.00 0.00 N ATOM 494 CA THR A 33 15.885 -12.503 -14.093 1.00 0.00 C ATOM 495 C THR A 33 16.110 -11.123 -14.706 1.00 0.00 C ATOM 496 O THR A 33 17.104 -10.460 -14.408 1.00 0.00 O ATOM 497 CB THR A 33 14.798 -12.441 -13.017 1.00 0.00 C ATOM 498 OG1 THR A 33 13.615 -11.860 -13.534 1.00 0.00 O ATOM 499 CG2 THR A 33 15.203 -11.647 -11.795 1.00 0.00 C ATOM 0 H THR A 33 17.725 -12.293 -13.118 1.00 0.00 H new ATOM 0 HA THR A 33 15.551 -13.184 -14.876 1.00 0.00 H new ATOM 0 HB THR A 33 14.633 -13.476 -12.716 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.201 -12.475 -14.175 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.385 -11.645 -11.075 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.085 -12.101 -11.342 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.432 -10.622 -12.087 1.00 0.00 H new ATOM 507 N LYS A 34 15.201 -10.691 -15.572 1.00 0.00 N ATOM 508 CA LYS A 34 15.352 -9.397 -16.217 1.00 0.00 C ATOM 509 C LYS A 34 14.022 -8.666 -16.362 1.00 0.00 C ATOM 510 O LYS A 34 12.953 -9.276 -16.386 1.00 0.00 O ATOM 511 CB LYS A 34 15.994 -9.570 -17.596 1.00 0.00 C ATOM 512 CG LYS A 34 16.570 -8.282 -18.162 1.00 0.00 C ATOM 513 CD LYS A 34 17.131 -8.487 -19.561 1.00 0.00 C ATOM 514 CE LYS A 34 16.024 -8.697 -20.584 1.00 0.00 C ATOM 515 NZ LYS A 34 16.209 -9.959 -21.352 1.00 0.00 N ATOM 0 H LYS A 34 14.365 -11.210 -15.839 1.00 0.00 H new ATOM 0 HA LYS A 34 15.996 -8.792 -15.579 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.787 -10.314 -17.528 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.249 -9.961 -18.289 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.794 -7.517 -18.189 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.357 -7.915 -17.504 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.729 -7.621 -19.844 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.798 -9.349 -19.563 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.060 -8.719 -20.076 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.002 -7.853 -21.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.434 -10.065 -22.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.117 -9.928 -21.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.205 -10.767 -20.698 1.00 0.00 H new ATOM 529 N ILE A 35 14.119 -7.347 -16.480 1.00 0.00 N ATOM 530 CA ILE A 35 12.959 -6.481 -16.645 1.00 0.00 C ATOM 531 C ILE A 35 13.276 -5.444 -17.716 1.00 0.00 C ATOM 532 O ILE A 35 14.271 -4.726 -17.609 1.00 0.00 O ATOM 533 CB ILE A 35 12.599 -5.776 -15.318 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.339 -4.923 -15.476 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.762 -4.926 -14.833 1.00 0.00 C ATOM 536 CD1 ILE A 35 10.083 -5.603 -14.976 1.00 0.00 C ATOM 0 H ILE A 35 15.008 -6.847 -16.464 1.00 0.00 H new ATOM 0 HA ILE A 35 12.102 -7.084 -16.944 1.00 0.00 H new ATOM 0 HB ILE A 35 12.396 -6.543 -14.571 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.474 -3.986 -14.937 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.211 -4.670 -16.528 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.490 -4.437 -13.897 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.634 -5.560 -14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.997 -4.170 -15.582 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.229 -4.941 -15.119 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.923 -6.527 -15.532 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.191 -5.832 -13.916 1.00 0.00 H new ATOM 548 N ASN A 36 12.453 -5.370 -18.759 1.00 0.00 N ATOM 549 CA ASN A 36 12.692 -4.427 -19.846 1.00 0.00 C ATOM 550 C ASN A 36 12.071 -3.072 -19.529 1.00 0.00 C ATOM 551 O ASN A 36 10.859 -2.962 -19.358 1.00 0.00 O ATOM 552 CB ASN A 36 12.102 -4.974 -21.145 1.00 0.00 C ATOM 553 CG ASN A 36 12.724 -4.336 -22.369 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.175 -3.192 -22.324 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.756 -5.077 -23.471 1.00 0.00 N ATOM 0 H ASN A 36 11.620 -5.948 -18.874 1.00 0.00 H new ATOM 0 HA ASN A 36 13.768 -4.297 -19.962 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.252 -6.053 -21.184 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.026 -4.801 -21.154 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.167 -4.702 -24.326 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.370 -6.021 -23.462 1.00 0.00 H new ATOM 562 N LEU A 37 12.902 -2.042 -19.450 1.00 0.00 N ATOM 563 CA LEU A 37 12.422 -0.699 -19.144 1.00 0.00 C ATOM 564 C LEU A 37 11.984 0.051 -20.403 1.00 0.00 C ATOM 565 O LEU A 37 11.339 1.094 -20.312 1.00 0.00 O ATOM 566 CB LEU A 37 13.504 0.090 -18.405 1.00 0.00 C ATOM 567 CG LEU A 37 14.043 -0.591 -17.144 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.207 -1.509 -17.487 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.458 0.447 -16.110 1.00 0.00 C ATOM 0 H LEU A 37 13.910 -2.109 -19.593 1.00 0.00 H new ATOM 0 HA LEU A 37 11.547 -0.799 -18.502 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.334 0.269 -19.088 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.101 1.065 -18.131 1.00 0.00 H new ATOM 0 HG LEU A 37 13.247 -1.199 -16.714 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.576 -1.984 -16.578 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.872 -2.275 -18.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.008 -0.927 -17.943 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.838 -0.057 -15.221 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.237 1.085 -16.527 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.596 1.057 -15.840 1.00 0.00 H new ATOM 581 N ASP A 38 12.369 -0.453 -21.574 1.00 0.00 N ATOM 582 CA ASP A 38 12.035 0.207 -22.833 1.00 0.00 C ATOM 583 C ASP A 38 10.522 0.392 -23.010 1.00 0.00 C ATOM 584 O ASP A 38 10.068 1.458 -23.423 1.00 0.00 O ATOM 585 CB ASP A 38 12.613 -0.580 -24.017 1.00 0.00 C ATOM 586 CG ASP A 38 11.764 -1.777 -24.414 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.200 -2.433 -23.514 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.664 -2.055 -25.627 1.00 0.00 O ATOM 0 H ASP A 38 12.910 -1.312 -21.677 1.00 0.00 H new ATOM 0 HA ASP A 38 12.483 1.200 -22.804 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.712 0.087 -24.874 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.616 -0.923 -23.762 1.00 0.00 H new ATOM 593 N ASP A 39 9.741 -0.637 -22.694 1.00 0.00 N ATOM 594 CA ASP A 39 8.285 -0.553 -22.822 1.00 0.00 C ATOM 595 C ASP A 39 7.638 -0.086 -21.524 1.00 0.00 C ATOM 596 O ASP A 39 6.447 0.218 -21.495 1.00 0.00 O ATOM 597 CB ASP A 39 7.678 -1.889 -23.249 1.00 0.00 C ATOM 598 CG ASP A 39 8.252 -3.064 -22.482 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.045 -3.127 -21.251 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.907 -3.921 -23.111 1.00 0.00 O ATOM 0 H ASP A 39 10.086 -1.533 -22.350 1.00 0.00 H new ATOM 0 HA ASP A 39 8.082 0.183 -23.599 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.598 -1.857 -23.102 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.850 -2.037 -24.315 1.00 0.00 H new ATOM 605 N HIS A 40 8.419 -0.030 -20.449 1.00 0.00 N ATOM 606 CA HIS A 40 7.905 0.406 -19.156 1.00 0.00 C ATOM 607 C HIS A 40 8.285 1.862 -18.918 1.00 0.00 C ATOM 608 O HIS A 40 7.422 2.737 -18.848 1.00 0.00 O ATOM 609 CB HIS A 40 8.464 -0.483 -18.042 1.00 0.00 C ATOM 610 CG HIS A 40 7.722 -1.776 -17.897 1.00 0.00 C ATOM 611 ND1 HIS A 40 8.132 -3.061 -18.043 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.380 -1.839 -17.589 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 7.040 -3.863 -17.824 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.997 -3.103 -17.552 1.00 0.00 N flip ATOM 0 H HIS A 40 9.408 -0.281 -20.448 1.00 0.00 H new ATOM 0 HA HIS A 40 6.818 0.321 -19.153 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.514 -0.694 -18.245 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.425 0.060 -17.098 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.076 -3.373 -18.273 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.741 -0.988 -17.406 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.036 -4.942 -17.867 1.00 0.00 H new ATOM 623 N ILE A 41 9.586 2.114 -18.818 1.00 0.00 N ATOM 624 CA ILE A 41 10.086 3.464 -18.617 1.00 0.00 C ATOM 625 C ILE A 41 10.078 4.238 -19.930 1.00 0.00 C ATOM 626 O ILE A 41 10.267 3.664 -21.000 1.00 0.00 O ATOM 627 CB ILE A 41 11.517 3.464 -18.042 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.606 2.546 -16.821 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.942 4.880 -17.678 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.778 3.019 -15.647 1.00 0.00 C ATOM 0 H ILE A 41 10.311 1.399 -18.873 1.00 0.00 H new ATOM 0 HA ILE A 41 9.423 3.946 -17.899 1.00 0.00 H new ATOM 0 HB ILE A 41 12.196 3.085 -18.806 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.281 1.545 -17.105 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.648 2.467 -16.512 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.954 4.863 -17.274 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.917 5.508 -18.569 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.259 5.284 -16.931 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.889 2.320 -14.818 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.118 4.007 -15.337 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.729 3.071 -15.939 1.00 0.00 H new ATOM 642 N ALA A 42 9.840 5.538 -19.831 1.00 0.00 N ATOM 643 CA ALA A 42 9.791 6.404 -21.011 1.00 0.00 C ATOM 644 C ALA A 42 10.469 7.745 -20.752 1.00 0.00 C ATOM 645 O ALA A 42 10.859 8.052 -19.625 1.00 0.00 O ATOM 646 CB ALA A 42 8.347 6.631 -21.428 1.00 0.00 C ATOM 0 H ALA A 42 9.677 6.021 -18.947 1.00 0.00 H new ATOM 0 HA ALA A 42 10.331 5.903 -21.814 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.319 7.276 -22.306 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.882 5.674 -21.666 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.803 7.106 -20.612 1.00 0.00 H new ATOM 652 N ASN A 43 10.619 8.531 -21.814 1.00 0.00 N ATOM 653 CA ASN A 43 11.259 9.840 -21.724 1.00 0.00 C ATOM 654 C ASN A 43 10.252 10.955 -21.986 1.00 0.00 C ATOM 655 O ASN A 43 9.816 11.158 -23.119 1.00 0.00 O ATOM 656 CB ASN A 43 12.408 9.931 -22.728 1.00 0.00 C ATOM 657 CG ASN A 43 13.106 11.274 -22.692 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.854 11.571 -21.762 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.861 12.094 -23.707 1.00 0.00 N ATOM 0 H ASN A 43 10.304 8.283 -22.752 1.00 0.00 H new ATOM 0 HA ASN A 43 11.652 9.960 -20.715 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.132 9.143 -22.519 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.024 9.752 -23.732 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.301 13.014 -23.737 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.233 11.804 -24.457 1.00 0.00 H new ATOM 666 N ILE A 44 9.893 11.679 -20.934 1.00 0.00 N ATOM 667 CA ILE A 44 8.944 12.778 -21.052 1.00 0.00 C ATOM 668 C ILE A 44 9.642 14.127 -20.876 1.00 0.00 C ATOM 669 O ILE A 44 9.746 14.643 -19.763 1.00 0.00 O ATOM 670 CB ILE A 44 7.804 12.645 -20.021 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.125 11.280 -20.156 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.788 13.768 -20.195 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.450 11.069 -21.495 1.00 0.00 C ATOM 0 H ILE A 44 10.245 11.525 -19.989 1.00 0.00 H new ATOM 0 HA ILE A 44 8.516 12.730 -22.053 1.00 0.00 H new ATOM 0 HB ILE A 44 8.230 12.724 -19.021 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.868 10.497 -20.006 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.384 11.172 -19.364 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.992 13.656 -19.459 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.281 14.730 -20.053 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.363 13.722 -21.198 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.990 10.081 -21.519 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.683 11.830 -21.640 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.190 11.144 -22.292 1.00 0.00 H new ATOM 685 N ASP A 45 10.122 14.691 -21.984 1.00 0.00 N ATOM 686 CA ASP A 45 10.814 15.982 -21.959 1.00 0.00 C ATOM 687 C ASP A 45 12.159 15.872 -21.245 1.00 0.00 C ATOM 688 O ASP A 45 12.555 16.772 -20.505 1.00 0.00 O ATOM 689 CB ASP A 45 9.947 17.038 -21.268 1.00 0.00 C ATOM 690 CG ASP A 45 10.373 18.451 -21.616 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.431 18.891 -21.120 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.649 19.117 -22.386 1.00 0.00 O ATOM 0 H ASP A 45 10.045 14.275 -22.912 1.00 0.00 H new ATOM 0 HA ASP A 45 10.994 16.284 -22.991 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.905 16.894 -21.555 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.002 16.900 -20.188 1.00 0.00 H new ATOM 697 N GLY A 46 12.863 14.769 -21.478 1.00 0.00 N ATOM 698 CA GLY A 46 14.157 14.573 -20.851 1.00 0.00 C ATOM 699 C GLY A 46 14.052 14.039 -19.434 1.00 0.00 C ATOM 700 O GLY A 46 15.066 13.831 -18.767 1.00 0.00 O ATOM 0 H GLY A 46 12.562 14.009 -22.088 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.745 13.880 -21.452 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.696 15.520 -20.838 1.00 0.00 H new ATOM 704 N THR A 47 12.826 13.813 -18.971 1.00 0.00 N ATOM 705 CA THR A 47 12.601 13.300 -17.626 1.00 0.00 C ATOM 706 C THR A 47 12.076 11.870 -17.674 1.00 0.00 C ATOM 707 O THR A 47 11.236 11.534 -18.508 1.00 0.00 O ATOM 708 CB THR A 47 11.612 14.194 -16.876 1.00 0.00 C ATOM 709 OG1 THR A 47 11.916 15.562 -17.087 1.00 0.00 O ATOM 710 CG2 THR A 47 11.597 13.954 -15.382 1.00 0.00 C ATOM 0 H THR A 47 11.974 13.977 -19.508 1.00 0.00 H new ATOM 0 HA THR A 47 13.554 13.302 -17.097 1.00 0.00 H new ATOM 0 HB THR A 47 10.631 13.938 -17.277 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.272 16.119 -16.601 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.874 14.621 -14.914 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.318 12.919 -15.182 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.588 14.148 -14.972 1.00 0.00 H new ATOM 718 N LEU A 48 12.605 11.026 -16.798 1.00 0.00 N ATOM 719 CA LEU A 48 12.216 9.622 -16.773 1.00 0.00 C ATOM 720 C LEU A 48 10.859 9.436 -16.106 1.00 0.00 C ATOM 721 O LEU A 48 10.678 9.719 -14.922 1.00 0.00 O ATOM 722 CB LEU A 48 13.274 8.792 -16.044 1.00 0.00 C ATOM 723 CG LEU A 48 14.609 8.659 -16.779 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.752 8.489 -15.790 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.566 7.490 -17.753 1.00 0.00 C ATOM 0 H LEU A 48 13.301 11.287 -16.099 1.00 0.00 H new ATOM 0 HA LEU A 48 12.138 9.278 -17.804 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.457 9.240 -15.067 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.873 7.794 -15.866 1.00 0.00 H new ATOM 0 HG LEU A 48 14.782 9.574 -17.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.692 8.396 -16.333 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.797 9.357 -15.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.587 7.591 -15.194 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.524 7.410 -18.267 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.369 6.568 -17.206 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.774 7.654 -18.484 1.00 0.00 H new ATOM 737 N LYS A 49 9.914 8.949 -16.903 1.00 0.00 N ATOM 738 CA LYS A 49 8.555 8.701 -16.450 1.00 0.00 C ATOM 739 C LYS A 49 8.081 7.346 -16.958 1.00 0.00 C ATOM 740 O LYS A 49 8.662 6.788 -17.887 1.00 0.00 O ATOM 741 CB LYS A 49 7.619 9.803 -16.950 1.00 0.00 C ATOM 742 CG LYS A 49 8.080 11.204 -16.587 1.00 0.00 C ATOM 743 CD LYS A 49 6.902 12.141 -16.377 1.00 0.00 C ATOM 744 CE LYS A 49 7.225 13.223 -15.359 1.00 0.00 C ATOM 745 NZ LYS A 49 7.212 12.696 -13.967 1.00 0.00 N ATOM 0 H LYS A 49 10.072 8.715 -17.883 1.00 0.00 H new ATOM 0 HA LYS A 49 8.542 8.700 -15.360 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.530 9.728 -18.034 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.624 9.638 -16.536 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.682 11.166 -15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.720 11.594 -17.378 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.629 12.603 -17.326 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.037 11.570 -16.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.205 13.647 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.501 14.033 -15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.251 13.489 -13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.340 12.151 -13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.036 12.079 -13.822 1.00 0.00 H new ATOM 759 N TRP A 50 7.031 6.813 -16.347 1.00 0.00 N ATOM 760 CA TRP A 50 6.508 5.512 -16.749 1.00 0.00 C ATOM 761 C TRP A 50 5.512 5.641 -17.898 1.00 0.00 C ATOM 762 O TRP A 50 4.498 6.331 -17.784 1.00 0.00 O ATOM 763 CB TRP A 50 5.856 4.814 -15.555 1.00 0.00 C ATOM 764 CG TRP A 50 6.870 4.201 -14.645 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.594 3.068 -14.876 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.293 4.698 -13.373 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.450 2.837 -13.829 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.280 3.821 -12.892 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.937 5.800 -12.594 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.914 4.012 -11.670 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.567 5.987 -11.380 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.546 5.098 -10.928 1.00 0.00 C ATOM 0 H TRP A 50 6.528 7.256 -15.578 1.00 0.00 H new ATOM 0 HA TRP A 50 7.344 4.908 -17.101 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.256 5.533 -14.998 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.176 4.041 -15.913 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.506 2.445 -15.754 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.106 2.059 -13.760 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.183 6.494 -12.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.671 3.326 -11.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.298 6.836 -10.768 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.021 5.273 -9.974 1.00 0.00 H new ATOM 783 N GLN A 51 5.815 4.970 -19.006 1.00 0.00 N ATOM 784 CA GLN A 51 4.956 5.003 -20.186 1.00 0.00 C ATOM 785 C GLN A 51 5.473 4.033 -21.248 1.00 0.00 C ATOM 786 O GLN A 51 6.674 3.771 -21.321 1.00 0.00 O ATOM 787 CB GLN A 51 4.898 6.424 -20.753 1.00 0.00 C ATOM 788 CG GLN A 51 3.851 6.609 -21.837 1.00 0.00 C ATOM 789 CD GLN A 51 3.565 8.068 -22.130 1.00 0.00 C ATOM 790 OE1 GLN A 51 3.416 8.879 -21.216 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.485 8.411 -23.411 1.00 0.00 N ATOM 0 H GLN A 51 6.651 4.395 -19.111 1.00 0.00 H new ATOM 0 HA GLN A 51 3.951 4.697 -19.896 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.693 7.121 -19.941 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.876 6.684 -21.158 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.189 6.119 -22.750 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.928 6.116 -21.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.615 7.706 -24.137 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.293 9.379 -23.669 1.00 0.00 H new ATOM 800 N PRO A 52 4.576 3.470 -22.085 1.00 0.00 N ATOM 801 CA PRO A 52 4.969 2.518 -23.125 1.00 0.00 C ATOM 802 C PRO A 52 5.743 3.182 -24.256 1.00 0.00 C ATOM 803 O PRO A 52 5.294 3.230 -25.402 1.00 0.00 O ATOM 804 CB PRO A 52 3.645 1.932 -23.631 1.00 0.00 C ATOM 805 CG PRO A 52 2.589 2.436 -22.697 1.00 0.00 C ATOM 806 CD PRO A 52 3.126 3.699 -22.084 1.00 0.00 C ATOM 0 HA PRO A 52 5.643 1.756 -22.733 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.444 2.248 -24.655 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.676 0.842 -23.634 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.659 2.630 -23.232 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.366 1.696 -21.928 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.855 4.579 -22.668 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.742 3.854 -21.076 1.00 0.00 H new ATOM 814 N SER A 53 6.923 3.671 -23.913 1.00 0.00 N ATOM 815 CA SER A 53 7.815 4.319 -24.863 1.00 0.00 C ATOM 816 C SER A 53 9.232 4.248 -24.316 1.00 0.00 C ATOM 817 O SER A 53 9.450 4.466 -23.128 1.00 0.00 O ATOM 818 CB SER A 53 7.394 5.771 -25.109 1.00 0.00 C ATOM 819 OG SER A 53 7.819 6.616 -24.056 1.00 0.00 O ATOM 0 H SER A 53 7.292 3.630 -22.963 1.00 0.00 H new ATOM 0 HA SER A 53 7.765 3.805 -25.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.817 6.120 -26.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.310 5.826 -25.207 1.00 0.00 H new ATOM 0 HG SER A 53 7.538 7.536 -24.241 1.00 0.00 H new ATOM 825 N ASN A 54 10.184 3.890 -25.164 1.00 0.00 N ATOM 826 CA ASN A 54 11.570 3.740 -24.727 1.00 0.00 C ATOM 827 C ASN A 54 12.302 5.070 -24.654 1.00 0.00 C ATOM 828 O ASN A 54 12.657 5.659 -25.676 1.00 0.00 O ATOM 829 CB ASN A 54 12.336 2.792 -25.655 1.00 0.00 C ATOM 830 CG ASN A 54 11.455 1.733 -26.299 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.327 1.494 -25.867 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.969 1.090 -27.341 1.00 0.00 N ATOM 0 H ASN A 54 10.027 3.698 -26.153 1.00 0.00 H new ATOM 0 HA ASN A 54 11.531 3.319 -23.722 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.821 3.375 -26.438 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.126 2.300 -25.088 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.425 0.368 -27.814 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.908 1.318 -27.668 1.00 0.00 H new ATOM 839 N PHE A 55 12.558 5.517 -23.431 1.00 0.00 N ATOM 840 CA PHE A 55 13.285 6.758 -23.197 1.00 0.00 C ATOM 841 C PHE A 55 14.547 6.803 -24.062 1.00 0.00 C ATOM 842 O PHE A 55 14.998 7.869 -24.479 1.00 0.00 O ATOM 843 CB PHE A 55 13.660 6.869 -21.716 1.00 0.00 C ATOM 844 CG PHE A 55 14.465 5.702 -21.220 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.837 5.662 -21.403 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.847 4.640 -20.580 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.578 4.584 -20.958 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.582 3.560 -20.134 1.00 0.00 C ATOM 849 CZ PHE A 55 15.950 3.531 -20.323 1.00 0.00 C ATOM 0 H PHE A 55 12.270 5.034 -22.580 1.00 0.00 H new ATOM 0 HA PHE A 55 12.646 7.598 -23.467 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.228 7.786 -21.559 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.749 6.952 -21.123 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.334 6.483 -21.899 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.778 4.657 -20.428 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.648 4.565 -21.107 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.088 2.738 -19.638 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.527 2.687 -19.975 1.00 0.00 H new ATOM 859 N SER A 56 15.100 5.618 -24.327 1.00 0.00 N ATOM 860 CA SER A 56 16.316 5.467 -25.128 1.00 0.00 C ATOM 861 C SER A 56 16.278 6.280 -26.427 1.00 0.00 C ATOM 862 O SER A 56 17.319 6.519 -27.039 1.00 0.00 O ATOM 863 CB SER A 56 16.538 3.991 -25.461 1.00 0.00 C ATOM 864 OG SER A 56 15.392 3.428 -26.075 1.00 0.00 O ATOM 0 H SER A 56 14.716 4.734 -23.992 1.00 0.00 H new ATOM 0 HA SER A 56 17.140 5.852 -24.527 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.397 3.890 -26.125 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.773 3.441 -24.550 1.00 0.00 H new ATOM 0 HG SER A 56 15.561 2.484 -26.279 1.00 0.00 H new ATOM 870 N GLN A 57 15.087 6.690 -26.857 1.00 0.00 N ATOM 871 CA GLN A 57 14.951 7.451 -28.096 1.00 0.00 C ATOM 872 C GLN A 57 15.631 8.814 -27.994 1.00 0.00 C ATOM 873 O GLN A 57 16.067 9.374 -29.000 1.00 0.00 O ATOM 874 CB GLN A 57 13.473 7.634 -28.444 1.00 0.00 C ATOM 875 CG GLN A 57 12.788 6.347 -28.872 1.00 0.00 C ATOM 876 CD GLN A 57 11.355 6.569 -29.315 1.00 0.00 C ATOM 877 OE1 GLN A 57 11.103 7.118 -30.388 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.407 6.142 -28.489 1.00 0.00 N ATOM 0 H GLN A 57 14.209 6.510 -26.370 1.00 0.00 H new ATOM 0 HA GLN A 57 15.443 6.886 -28.887 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.952 8.043 -27.578 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.385 8.367 -29.245 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.351 5.894 -29.688 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.803 5.639 -28.043 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.661 5.692 -27.610 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.424 6.264 -28.734 1.00 0.00 H new ATOM 887 N THR A 58 15.728 9.342 -26.779 1.00 0.00 N ATOM 888 CA THR A 58 16.364 10.639 -26.565 1.00 0.00 C ATOM 889 C THR A 58 17.418 10.569 -25.462 1.00 0.00 C ATOM 890 O THR A 58 18.061 11.570 -25.148 1.00 0.00 O ATOM 891 CB THR A 58 15.320 11.691 -26.187 1.00 0.00 C ATOM 892 OG1 THR A 58 14.988 11.585 -24.816 1.00 0.00 O ATOM 893 CG2 THR A 58 14.033 11.585 -26.976 1.00 0.00 C ATOM 0 H THR A 58 15.377 8.896 -25.931 1.00 0.00 H new ATOM 0 HA THR A 58 16.850 10.919 -27.500 1.00 0.00 H new ATOM 0 HB THR A 58 15.784 12.650 -26.418 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.230 12.416 -24.356 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.342 12.364 -26.652 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.246 11.708 -28.038 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.582 10.607 -26.807 1.00 0.00 H new ATOM 901 N CYS A 59 17.580 9.396 -24.858 1.00 0.00 N ATOM 902 CA CYS A 59 18.541 9.232 -23.777 1.00 0.00 C ATOM 903 C CYS A 59 19.710 8.343 -24.185 1.00 0.00 C ATOM 904 O CYS A 59 19.570 7.449 -25.020 1.00 0.00 O ATOM 905 CB CYS A 59 17.852 8.639 -22.547 1.00 0.00 C ATOM 906 SG CYS A 59 16.207 9.344 -22.204 1.00 0.00 S ATOM 0 H CYS A 59 17.061 8.551 -25.098 1.00 0.00 H new ATOM 0 HA CYS A 59 18.937 10.220 -23.540 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.753 7.562 -22.683 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.490 8.793 -21.677 1.00 0.00 H new ATOM 911 N TYR A 60 20.867 8.617 -23.592 1.00 0.00 N ATOM 912 CA TYR A 60 22.087 7.864 -23.867 1.00 0.00 C ATOM 913 C TYR A 60 22.885 7.688 -22.579 1.00 0.00 C ATOM 914 O TYR A 60 22.705 8.444 -21.622 1.00 0.00 O ATOM 915 CB TYR A 60 22.937 8.577 -24.924 1.00 0.00 C ATOM 916 CG TYR A 60 23.449 9.931 -24.483 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.575 10.988 -24.269 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.806 10.149 -24.282 1.00 0.00 C ATOM 919 CE1 TYR A 60 23.039 12.226 -23.867 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.277 11.385 -23.879 1.00 0.00 C ATOM 921 CZ TYR A 60 24.390 12.420 -23.674 1.00 0.00 C ATOM 922 OH TYR A 60 24.855 13.651 -23.272 1.00 0.00 O ATOM 0 H TYR A 60 20.986 9.365 -22.909 1.00 0.00 H new ATOM 0 HA TYR A 60 21.813 6.883 -24.256 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.786 7.944 -25.182 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.345 8.700 -25.831 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.516 10.840 -24.419 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.504 9.341 -24.443 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.346 13.038 -23.705 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.335 11.539 -23.726 1.00 0.00 H new ATOM 0 HH TYR A 60 24.215 14.345 -23.537 1.00 0.00 H new ATOM 932 N ASN A 61 23.745 6.675 -22.547 1.00 0.00 N ATOM 933 CA ASN A 61 24.552 6.394 -21.363 1.00 0.00 C ATOM 934 C ASN A 61 23.663 6.003 -20.186 1.00 0.00 C ATOM 935 O ASN A 61 23.804 6.531 -19.082 1.00 0.00 O ATOM 936 CB ASN A 61 25.409 7.609 -20.993 1.00 0.00 C ATOM 937 CG ASN A 61 26.601 7.777 -21.914 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.807 8.843 -22.495 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.393 6.721 -22.053 1.00 0.00 N ATOM 0 H ASN A 61 23.902 6.035 -23.326 1.00 0.00 H new ATOM 0 HA ASN A 61 25.212 5.558 -21.594 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.795 8.509 -21.031 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.759 7.504 -19.966 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.211 6.773 -22.661 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.184 5.857 -21.552 1.00 0.00 H new ATOM 946 N SER A 62 22.742 5.078 -20.434 1.00 0.00 N ATOM 947 CA SER A 62 21.834 4.613 -19.396 1.00 0.00 C ATOM 948 C SER A 62 22.577 3.758 -18.380 1.00 0.00 C ATOM 949 O SER A 62 23.359 2.880 -18.743 1.00 0.00 O ATOM 950 CB SER A 62 20.673 3.826 -20.006 1.00 0.00 C ATOM 951 OG SER A 62 19.830 4.673 -20.767 1.00 0.00 O ATOM 0 H SER A 62 22.606 4.637 -21.344 1.00 0.00 H new ATOM 0 HA SER A 62 21.427 5.485 -18.884 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.062 3.029 -20.640 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.096 3.349 -19.214 1.00 0.00 H new ATOM 0 HG SER A 62 19.801 5.562 -20.355 1.00 0.00 H new ATOM 957 N ALA A 63 22.323 4.022 -17.105 1.00 0.00 N ATOM 958 CA ALA A 63 22.966 3.276 -16.034 1.00 0.00 C ATOM 959 C ALA A 63 22.008 3.016 -14.880 1.00 0.00 C ATOM 960 O ALA A 63 21.076 3.786 -14.647 1.00 0.00 O ATOM 961 CB ALA A 63 24.198 4.020 -15.541 1.00 0.00 C ATOM 0 H ALA A 63 21.678 4.746 -16.789 1.00 0.00 H new ATOM 0 HA ALA A 63 23.270 2.310 -16.436 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.670 3.451 -14.740 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.903 4.142 -16.363 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.905 5.001 -15.166 1.00 0.00 H new ATOM 967 N ILE A 64 22.241 1.925 -14.160 1.00 0.00 N ATOM 968 CA ILE A 64 21.393 1.569 -13.037 1.00 0.00 C ATOM 969 C ILE A 64 22.200 1.254 -11.784 1.00 0.00 C ATOM 970 O ILE A 64 23.252 0.619 -11.843 1.00 0.00 O ATOM 971 CB ILE A 64 20.488 0.371 -13.380 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.441 0.811 -14.402 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.813 -0.176 -12.126 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.438 -0.261 -14.742 1.00 0.00 C ATOM 0 H ILE A 64 23.008 1.276 -14.336 1.00 0.00 H new ATOM 0 HA ILE A 64 20.772 2.441 -12.832 1.00 0.00 H new ATOM 0 HB ILE A 64 21.097 -0.427 -13.804 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.912 1.682 -14.015 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.947 1.125 -15.315 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.179 -1.021 -12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.573 -0.503 -11.417 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.204 0.605 -11.671 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.727 0.124 -15.473 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.956 -1.124 -15.160 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.905 -0.560 -13.840 1.00 0.00 H new ATOM 986 N GLN A 65 21.669 1.686 -10.649 1.00 0.00 N ATOM 987 CA GLN A 65 22.290 1.450 -9.355 1.00 0.00 C ATOM 988 C GLN A 65 21.211 1.063 -8.354 1.00 0.00 C ATOM 989 O GLN A 65 20.381 1.889 -7.972 1.00 0.00 O ATOM 990 CB GLN A 65 23.038 2.695 -8.876 1.00 0.00 C ATOM 991 CG GLN A 65 24.003 3.260 -9.907 1.00 0.00 C ATOM 992 CD GLN A 65 24.635 4.564 -9.461 1.00 0.00 C ATOM 993 OE1 GLN A 65 23.941 5.550 -9.213 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.959 4.576 -9.357 1.00 0.00 N ATOM 0 H GLN A 65 20.795 2.210 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 65 23.015 0.641 -9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.313 3.464 -8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.591 2.450 -7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.787 2.529 -10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.473 3.420 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 65 26.495 3.735 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.440 5.426 -9.061 1.00 0.00 H new ATOM 1003 N GLY A 66 21.205 -0.203 -7.956 1.00 0.00 N ATOM 1004 CA GLY A 66 20.197 -0.677 -7.028 1.00 0.00 C ATOM 1005 C GLY A 66 18.826 -0.713 -7.674 1.00 0.00 C ATOM 1006 O GLY A 66 18.631 -1.390 -8.683 1.00 0.00 O ATOM 0 H GLY A 66 21.878 -0.908 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.463 -1.674 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.172 -0.028 -6.153 1.00 0.00 H new ATOM 1010 N SER A 67 17.870 0.005 -7.095 1.00 0.00 N ATOM 1011 CA SER A 67 16.514 0.033 -7.633 1.00 0.00 C ATOM 1012 C SER A 67 16.234 1.319 -8.410 1.00 0.00 C ATOM 1013 O SER A 67 15.153 1.478 -8.978 1.00 0.00 O ATOM 1014 CB SER A 67 15.496 -0.114 -6.502 1.00 0.00 C ATOM 1015 OG SER A 67 15.344 1.103 -5.791 1.00 0.00 O ATOM 0 H SER A 67 18.007 0.572 -6.258 1.00 0.00 H new ATOM 0 HA SER A 67 16.421 -0.804 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.534 -0.422 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.818 -0.900 -5.819 1.00 0.00 H new ATOM 0 HG SER A 67 14.671 1.659 -6.235 1.00 0.00 H new ATOM 1021 N VAL A 68 17.202 2.232 -8.445 1.00 0.00 N ATOM 1022 CA VAL A 68 17.030 3.493 -9.164 1.00 0.00 C ATOM 1023 C VAL A 68 17.755 3.477 -10.508 1.00 0.00 C ATOM 1024 O VAL A 68 18.870 2.967 -10.620 1.00 0.00 O ATOM 1025 CB VAL A 68 17.536 4.691 -8.338 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.003 5.994 -8.914 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.136 4.546 -6.877 1.00 0.00 C ATOM 0 H VAL A 68 18.107 2.124 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 68 15.959 3.604 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 68 18.625 4.710 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.369 6.831 -8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.344 6.103 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.913 5.983 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.504 5.403 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.050 4.500 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.568 3.631 -6.471 1.00 0.00 H new ATOM 1037 N LEU A 69 17.110 4.032 -11.529 1.00 0.00 N ATOM 1038 CA LEU A 69 17.688 4.083 -12.864 1.00 0.00 C ATOM 1039 C LEU A 69 18.237 5.478 -13.160 1.00 0.00 C ATOM 1040 O LEU A 69 17.537 6.481 -12.996 1.00 0.00 O ATOM 1041 CB LEU A 69 16.630 3.692 -13.904 1.00 0.00 C ATOM 1042 CG LEU A 69 16.926 4.110 -15.349 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.328 3.682 -15.761 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.887 3.521 -16.292 1.00 0.00 C ATOM 0 H LEU A 69 16.184 4.454 -11.455 1.00 0.00 H new ATOM 0 HA LEU A 69 18.515 3.375 -12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.505 2.610 -13.878 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.677 4.130 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 69 16.874 5.197 -15.409 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.515 3.990 -16.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.060 4.151 -15.103 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.415 2.598 -15.685 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.109 3.826 -17.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.910 2.433 -16.225 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.897 3.881 -16.013 1.00 0.00 H new ATOM 1056 N THR A 70 19.493 5.543 -13.593 1.00 0.00 N ATOM 1057 CA THR A 70 20.126 6.814 -13.912 1.00 0.00 C ATOM 1058 C THR A 70 20.485 6.860 -15.393 1.00 0.00 C ATOM 1059 O THR A 70 21.177 5.977 -15.897 1.00 0.00 O ATOM 1060 CB THR A 70 21.384 7.002 -13.060 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.147 6.592 -11.724 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.877 8.432 -13.020 1.00 0.00 C ATOM 0 H THR A 70 20.091 4.728 -13.730 1.00 0.00 H new ATOM 0 HA THR A 70 19.428 7.622 -13.693 1.00 0.00 H new ATOM 0 HB THR A 70 22.148 6.388 -13.536 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.962 6.717 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.771 8.492 -12.399 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.115 8.763 -14.031 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.101 9.073 -12.602 1.00 0.00 H new ATOM 1070 N SER A 71 19.994 7.874 -16.096 1.00 0.00 N ATOM 1071 CA SER A 71 20.257 7.998 -17.527 1.00 0.00 C ATOM 1072 C SER A 71 20.235 9.456 -17.967 1.00 0.00 C ATOM 1073 O SER A 71 19.553 10.283 -17.362 1.00 0.00 O ATOM 1074 CB SER A 71 19.224 7.198 -18.324 1.00 0.00 C ATOM 1075 OG SER A 71 19.166 7.634 -19.671 1.00 0.00 O ATOM 0 H SER A 71 19.416 8.617 -15.704 1.00 0.00 H new ATOM 0 HA SER A 71 21.252 7.598 -17.722 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.478 6.138 -18.293 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.243 7.304 -17.862 1.00 0.00 H new ATOM 0 HG SER A 71 18.500 7.105 -20.158 1.00 0.00 H new ATOM 1081 N THR A 72 20.963 9.763 -19.038 1.00 0.00 N ATOM 1082 CA THR A 72 20.993 11.118 -19.568 1.00 0.00 C ATOM 1083 C THR A 72 19.962 11.241 -20.685 1.00 0.00 C ATOM 1084 O THR A 72 19.959 10.441 -21.620 1.00 0.00 O ATOM 1085 CB THR A 72 22.391 11.451 -20.094 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.385 11.042 -19.171 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.595 12.926 -20.366 1.00 0.00 C ATOM 0 H THR A 72 21.536 9.094 -19.552 1.00 0.00 H new ATOM 0 HA THR A 72 20.751 11.824 -18.774 1.00 0.00 H new ATOM 0 HB THR A 72 22.480 10.910 -21.036 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.272 11.262 -19.526 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.607 13.091 -20.736 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.876 13.261 -21.113 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.449 13.489 -19.444 1.00 0.00 H new ATOM 1095 N CYS A 73 19.071 12.223 -20.582 1.00 0.00 N ATOM 1096 CA CYS A 73 18.028 12.394 -21.589 1.00 0.00 C ATOM 1097 C CYS A 73 18.009 13.797 -22.181 1.00 0.00 C ATOM 1098 O CYS A 73 18.219 14.788 -21.483 1.00 0.00 O ATOM 1099 CB CYS A 73 16.659 12.078 -20.988 1.00 0.00 C ATOM 1100 SG CYS A 73 16.462 10.347 -20.460 1.00 0.00 S ATOM 0 H CYS A 73 19.049 12.904 -19.823 1.00 0.00 H new ATOM 0 HA CYS A 73 18.254 11.699 -22.397 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.491 12.730 -20.131 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.889 12.313 -21.722 1.00 0.00 H new ATOM 1105 N GLU A 74 17.699 13.861 -23.472 1.00 0.00 N ATOM 1106 CA GLU A 74 17.599 15.129 -24.185 1.00 0.00 C ATOM 1107 C GLU A 74 16.313 15.861 -23.802 1.00 0.00 C ATOM 1108 O GLU A 74 15.249 15.248 -23.711 1.00 0.00 O ATOM 1109 CB GLU A 74 17.634 14.892 -25.697 1.00 0.00 C ATOM 1110 CG GLU A 74 17.911 16.150 -26.504 1.00 0.00 C ATOM 1111 CD GLU A 74 17.387 16.059 -27.924 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.479 14.967 -28.522 1.00 0.00 O ATOM 1113 OE2 GLU A 74 16.882 17.080 -28.437 1.00 0.00 O ATOM 0 H GLU A 74 17.511 13.042 -24.050 1.00 0.00 H new ATOM 0 HA GLU A 74 18.450 15.748 -23.903 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.400 14.150 -25.922 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.679 14.471 -26.013 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.453 17.005 -26.006 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.985 16.333 -26.528 1.00 0.00 H new ATOM 1120 N ARG A 75 16.408 17.168 -23.582 1.00 0.00 N ATOM 1121 CA ARG A 75 15.240 17.962 -23.218 1.00 0.00 C ATOM 1122 C ARG A 75 14.587 18.557 -24.462 1.00 0.00 C ATOM 1123 O ARG A 75 15.273 18.954 -25.403 1.00 0.00 O ATOM 1124 CB ARG A 75 15.634 19.075 -22.245 1.00 0.00 C ATOM 1125 CG ARG A 75 16.386 18.575 -21.023 1.00 0.00 C ATOM 1126 CD ARG A 75 16.389 19.608 -19.908 1.00 0.00 C ATOM 1127 NE ARG A 75 15.090 19.710 -19.250 1.00 0.00 N ATOM 1128 CZ ARG A 75 14.898 20.314 -18.079 1.00 0.00 C ATOM 1129 NH1 ARG A 75 15.920 20.863 -17.433 1.00 0.00 N ATOM 1130 NH2 ARG A 75 13.683 20.367 -17.551 1.00 0.00 N ATOM 0 H ARG A 75 17.277 17.698 -23.649 1.00 0.00 H new ATOM 0 HA ARG A 75 14.520 17.307 -22.728 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.253 19.803 -22.770 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.734 19.597 -21.919 1.00 0.00 H new ATOM 0 HG2 ARG A 75 15.928 17.653 -20.665 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.412 18.334 -21.300 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.148 19.344 -19.172 1.00 0.00 H new ATOM 0 HD3 ARG A 75 16.666 20.580 -20.316 1.00 0.00 H new ATOM 0 HE ARG A 75 14.282 19.294 -19.714 1.00 0.00 H new ATOM 0 HH11 ARG A 75 16.857 20.823 -17.834 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.768 21.325 -16.536 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.895 19.945 -18.042 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.537 20.830 -16.654 1.00 0.00 H new ATOM 1144 N THR A 76 13.256 18.607 -24.466 1.00 0.00 N ATOM 1145 CA THR A 76 12.514 19.144 -25.605 1.00 0.00 C ATOM 1146 C THR A 76 13.016 20.532 -26.000 1.00 0.00 C ATOM 1147 O THR A 76 12.887 20.940 -27.155 1.00 0.00 O ATOM 1148 CB THR A 76 11.020 19.207 -25.284 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.597 18.024 -24.628 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.154 19.387 -26.512 1.00 0.00 C ATOM 0 H THR A 76 12.671 18.283 -23.696 1.00 0.00 H new ATOM 0 HA THR A 76 12.676 18.472 -26.448 1.00 0.00 H new ATOM 0 HB THR A 76 10.898 20.079 -24.641 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.898 18.243 -23.977 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.106 19.424 -26.216 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.422 20.317 -27.013 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.309 18.550 -27.193 1.00 0.00 H new ATOM 1158 N ASN A 77 13.586 21.256 -25.042 1.00 0.00 N ATOM 1159 CA ASN A 77 14.101 22.597 -25.307 1.00 0.00 C ATOM 1160 C ASN A 77 15.509 22.550 -25.904 1.00 0.00 C ATOM 1161 O ASN A 77 16.112 23.590 -26.174 1.00 0.00 O ATOM 1162 CB ASN A 77 14.108 23.427 -24.022 1.00 0.00 C ATOM 1163 CG ASN A 77 14.419 24.889 -24.281 1.00 0.00 C ATOM 1164 OD1 ASN A 77 14.107 25.423 -25.345 1.00 0.00 O ATOM 1165 ND2 ASN A 77 15.037 25.544 -23.305 1.00 0.00 N ATOM 0 H ASN A 77 13.703 20.940 -24.079 1.00 0.00 H new ATOM 0 HA ASN A 77 13.440 23.066 -26.036 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.136 23.346 -23.535 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.846 23.018 -23.332 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.272 26.530 -23.421 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.277 25.061 -22.439 1.00 0.00 H new ATOM 1172 N GLY A 78 16.028 21.343 -26.114 1.00 0.00 N ATOM 1173 CA GLY A 78 17.355 21.190 -26.679 1.00 0.00 C ATOM 1174 C GLY A 78 18.429 21.065 -25.625 1.00 0.00 C ATOM 1175 O GLY A 78 18.453 21.812 -24.647 1.00 0.00 O ATOM 0 H GLY A 78 15.551 20.467 -25.902 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.374 20.306 -27.317 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.575 22.047 -27.315 1.00 0.00 H new ATOM 1179 N GLY A 79 19.296 20.093 -25.822 1.00 0.00 N ATOM 1180 CA GLY A 79 20.368 19.832 -24.879 1.00 0.00 C ATOM 1181 C GLY A 79 20.216 18.467 -24.239 1.00 0.00 C ATOM 1182 O GLY A 79 19.404 17.663 -24.695 1.00 0.00 O ATOM 0 H GLY A 79 19.280 19.468 -26.628 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.328 19.891 -25.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.371 20.600 -24.106 1.00 0.00 H new ATOM 1186 N TYR A 80 20.998 18.192 -23.197 1.00 0.00 N ATOM 1187 CA TYR A 80 20.930 16.898 -22.518 1.00 0.00 C ATOM 1188 C TYR A 80 20.854 17.067 -21.003 1.00 0.00 C ATOM 1189 O TYR A 80 21.467 17.971 -20.436 1.00 0.00 O ATOM 1190 CB TYR A 80 22.147 16.043 -22.879 1.00 0.00 C ATOM 1191 CG TYR A 80 22.451 16.016 -24.359 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.822 15.106 -25.201 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.362 16.903 -24.916 1.00 0.00 C ATOM 1194 CE1 TYR A 80 22.094 15.083 -26.556 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.640 16.886 -26.269 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.003 15.975 -27.084 1.00 0.00 C ATOM 1197 OH TYR A 80 23.277 15.956 -28.432 1.00 0.00 O ATOM 0 H TYR A 80 21.681 18.841 -22.806 1.00 0.00 H new ATOM 0 HA TYR A 80 20.022 16.397 -22.854 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.018 16.422 -22.345 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.980 15.023 -22.532 1.00 0.00 H new ATOM 0 HD1 TYR A 80 21.110 14.406 -24.790 1.00 0.00 H new ATOM 0 HD2 TYR A 80 23.862 17.619 -24.280 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.597 14.370 -27.198 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.352 17.583 -26.686 1.00 0.00 H new ATOM 0 HH TYR A 80 23.938 16.649 -28.641 1.00 0.00 H new ATOM 1207 N ASN A 81 20.094 16.187 -20.355 1.00 0.00 N ATOM 1208 CA ASN A 81 19.931 16.227 -18.906 1.00 0.00 C ATOM 1209 C ASN A 81 19.588 14.839 -18.366 1.00 0.00 C ATOM 1210 O ASN A 81 18.688 14.169 -18.873 1.00 0.00 O ATOM 1211 CB ASN A 81 18.840 17.229 -18.518 1.00 0.00 C ATOM 1212 CG ASN A 81 18.740 17.423 -17.017 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.066 16.525 -16.240 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.285 18.600 -16.600 1.00 0.00 N ATOM 0 H ASN A 81 19.580 15.435 -20.814 1.00 0.00 H new ATOM 0 HA ASN A 81 20.874 16.548 -18.464 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.046 18.188 -18.993 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.880 16.883 -18.902 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.195 18.787 -15.601 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.026 19.316 -17.279 1.00 0.00 H new ATOM 1221 N THR A 82 20.320 14.413 -17.343 1.00 0.00 N ATOM 1222 CA THR A 82 20.112 13.102 -16.730 1.00 0.00 C ATOM 1223 C THR A 82 19.136 13.182 -15.565 1.00 0.00 C ATOM 1224 O THR A 82 19.230 14.075 -14.723 1.00 0.00 O ATOM 1225 CB THR A 82 21.439 12.505 -16.262 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.217 11.389 -15.419 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.301 13.486 -15.503 1.00 0.00 C ATOM 0 H THR A 82 21.068 14.959 -16.917 1.00 0.00 H new ATOM 0 HA THR A 82 19.682 12.451 -17.491 1.00 0.00 H new ATOM 0 HB THR A 82 21.962 12.215 -17.173 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.516 10.823 -15.804 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.227 12.998 -15.200 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.532 14.338 -16.142 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.766 13.831 -14.618 1.00 0.00 H new ATOM 1235 N SER A 83 18.196 12.241 -15.521 1.00 0.00 N ATOM 1236 CA SER A 83 17.198 12.195 -14.461 1.00 0.00 C ATOM 1237 C SER A 83 17.238 10.841 -13.749 1.00 0.00 C ATOM 1238 O SER A 83 17.726 9.850 -14.302 1.00 0.00 O ATOM 1239 CB SER A 83 15.802 12.449 -15.038 1.00 0.00 C ATOM 1240 OG SER A 83 15.301 11.294 -15.689 1.00 0.00 O ATOM 0 H SER A 83 18.106 11.497 -16.213 1.00 0.00 H new ATOM 0 HA SER A 83 17.425 12.976 -13.735 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.122 12.743 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.842 13.279 -15.743 1.00 0.00 H new ATOM 0 HG SER A 83 15.124 11.500 -16.631 1.00 0.00 H new ATOM 1246 N SER A 84 16.734 10.807 -12.520 1.00 0.00 N ATOM 1247 CA SER A 84 16.720 9.578 -11.739 1.00 0.00 C ATOM 1248 C SER A 84 15.299 9.213 -11.318 1.00 0.00 C ATOM 1249 O SER A 84 14.476 10.088 -11.049 1.00 0.00 O ATOM 1250 CB SER A 84 17.613 9.724 -10.504 1.00 0.00 C ATOM 1251 OG SER A 84 18.803 10.427 -10.816 1.00 0.00 O ATOM 0 H SER A 84 16.331 11.615 -12.045 1.00 0.00 H new ATOM 0 HA SER A 84 17.108 8.775 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.070 10.251 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.862 8.738 -10.112 1.00 0.00 H new ATOM 0 HG SER A 84 19.355 10.509 -10.011 1.00 0.00 H new ATOM 1257 N ILE A 85 15.019 7.912 -11.262 1.00 0.00 N ATOM 1258 CA ILE A 85 13.694 7.430 -10.876 1.00 0.00 C ATOM 1259 C ILE A 85 13.776 6.130 -10.072 1.00 0.00 C ATOM 1260 O ILE A 85 14.614 5.274 -10.350 1.00 0.00 O ATOM 1261 CB ILE A 85 12.807 7.208 -12.119 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.365 6.919 -11.701 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.356 6.075 -12.977 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.423 6.741 -12.871 1.00 0.00 C ATOM 0 H ILE A 85 15.690 7.175 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 85 13.248 8.199 -10.245 1.00 0.00 H new ATOM 0 HB ILE A 85 12.816 8.120 -12.715 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.346 6.017 -11.089 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.005 7.736 -11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.716 5.935 -13.848 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.366 6.323 -13.305 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.380 5.155 -12.393 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.418 6.539 -12.501 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.413 7.651 -13.472 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.759 5.905 -13.485 1.00 0.00 H new ATOM 1276 N ASP A 86 12.889 5.989 -9.084 1.00 0.00 N ATOM 1277 CA ASP A 86 12.849 4.792 -8.236 1.00 0.00 C ATOM 1278 C ASP A 86 11.800 3.793 -8.740 1.00 0.00 C ATOM 1279 O ASP A 86 10.607 4.092 -8.752 1.00 0.00 O ATOM 1280 CB ASP A 86 12.537 5.186 -6.791 1.00 0.00 C ATOM 1281 CG ASP A 86 12.812 4.063 -5.810 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.882 3.429 -5.918 1.00 0.00 O ATOM 1283 OD2 ASP A 86 11.957 3.819 -4.932 1.00 0.00 O ATOM 0 H ASP A 86 12.186 6.690 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 86 13.827 4.313 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.134 6.056 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.490 5.481 -6.716 1.00 0.00 H new ATOM 1288 N LEU A 87 12.255 2.613 -9.163 1.00 0.00 N ATOM 1289 CA LEU A 87 11.351 1.579 -9.687 1.00 0.00 C ATOM 1290 C LEU A 87 10.962 0.532 -8.640 1.00 0.00 C ATOM 1291 O LEU A 87 10.130 -0.332 -8.913 1.00 0.00 O ATOM 1292 CB LEU A 87 11.978 0.881 -10.891 1.00 0.00 C ATOM 1293 CG LEU A 87 12.701 1.805 -11.869 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.498 0.993 -12.877 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.704 2.711 -12.577 1.00 0.00 C ATOM 0 H LEU A 87 13.240 2.347 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 87 10.439 2.096 -9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.685 0.133 -10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.196 0.347 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 87 13.396 2.430 -11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.007 1.667 -13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.236 0.385 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.824 0.344 -13.436 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.234 3.364 -13.271 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.987 2.102 -13.128 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.176 3.317 -11.840 1.00 0.00 H new ATOM 1307 N ASN A 88 11.571 0.579 -7.458 1.00 0.00 N ATOM 1308 CA ASN A 88 11.285 -0.406 -6.411 1.00 0.00 C ATOM 1309 C ASN A 88 9.784 -0.660 -6.256 1.00 0.00 C ATOM 1310 O ASN A 88 9.373 -1.747 -5.851 1.00 0.00 O ATOM 1311 CB ASN A 88 11.856 0.085 -5.079 1.00 0.00 C ATOM 1312 CG ASN A 88 11.721 -0.946 -3.978 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.235 -2.142 -4.230 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.165 -0.671 -2.915 1.00 0.00 N flip ATOM 0 H ASN A 88 12.262 1.283 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 88 11.754 -1.346 -6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.908 0.338 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.343 0.999 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.784 0.263 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.085 -1.377 -2.184 1.00 0.00 H new ATOM 1321 N SER A 89 8.972 0.339 -6.579 1.00 0.00 N ATOM 1322 CA SER A 89 7.522 0.206 -6.469 1.00 0.00 C ATOM 1323 C SER A 89 6.905 -0.505 -7.678 1.00 0.00 C ATOM 1324 O SER A 89 5.946 -1.264 -7.533 1.00 0.00 O ATOM 1325 CB SER A 89 6.877 1.582 -6.300 1.00 0.00 C ATOM 1326 OG SER A 89 6.734 1.914 -4.930 1.00 0.00 O ATOM 0 H SER A 89 9.290 1.247 -6.918 1.00 0.00 H new ATOM 0 HA SER A 89 7.326 -0.408 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.486 2.336 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.900 1.591 -6.783 1.00 0.00 H new ATOM 0 HG SER A 89 6.321 2.799 -4.849 1.00 0.00 H new ATOM 1332 N VAL A 90 7.425 -0.224 -8.870 1.00 0.00 N ATOM 1333 CA VAL A 90 6.885 -0.815 -10.093 1.00 0.00 C ATOM 1334 C VAL A 90 7.256 -2.290 -10.272 1.00 0.00 C ATOM 1335 O VAL A 90 6.380 -3.127 -10.489 1.00 0.00 O ATOM 1336 CB VAL A 90 7.303 -0.014 -11.351 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.149 1.476 -11.106 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.730 -0.332 -11.773 1.00 0.00 C ATOM 0 H VAL A 90 8.215 0.405 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 90 5.802 -0.764 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 90 6.641 -0.312 -12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.447 2.024 -12.000 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.108 1.701 -10.872 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.781 1.774 -10.270 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.986 0.250 -12.659 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.414 -0.079 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.814 -1.395 -12.000 1.00 0.00 H new ATOM 1348 N ILE A 91 8.544 -2.607 -10.207 1.00 0.00 N ATOM 1349 CA ILE A 91 8.986 -3.982 -10.389 1.00 0.00 C ATOM 1350 C ILE A 91 8.846 -4.784 -9.098 1.00 0.00 C ATOM 1351 O ILE A 91 8.969 -4.244 -7.998 1.00 0.00 O ATOM 1352 CB ILE A 91 10.438 -4.057 -10.922 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.519 -3.438 -12.328 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.926 -5.500 -10.948 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.239 -2.105 -12.362 1.00 0.00 C ATOM 0 H ILE A 91 9.293 -1.937 -10.031 1.00 0.00 H new ATOM 0 HA ILE A 91 8.335 -4.427 -11.141 1.00 0.00 H new ATOM 0 HB ILE A 91 11.083 -3.490 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.029 -4.134 -12.994 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.509 -3.306 -12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.948 -5.532 -11.325 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.899 -5.911 -9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.281 -6.091 -11.598 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.258 -1.728 -13.384 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.717 -1.393 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.260 -2.234 -12.004 1.00 0.00 H new ATOM 1367 N GLU A 92 8.564 -6.074 -9.248 1.00 0.00 N ATOM 1368 CA GLU A 92 8.375 -6.965 -8.112 1.00 0.00 C ATOM 1369 C GLU A 92 9.075 -8.291 -8.364 1.00 0.00 C ATOM 1370 O GLU A 92 9.471 -8.576 -9.493 1.00 0.00 O ATOM 1371 CB GLU A 92 6.880 -7.221 -7.908 1.00 0.00 C ATOM 1372 CG GLU A 92 6.501 -7.523 -6.469 1.00 0.00 C ATOM 1373 CD GLU A 92 5.015 -7.366 -6.212 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.225 -7.578 -7.156 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.642 -7.032 -5.068 1.00 0.00 O ATOM 0 H GLU A 92 8.461 -6.528 -10.156 1.00 0.00 H new ATOM 0 HA GLU A 92 8.798 -6.497 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.322 -6.348 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.575 -8.057 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.803 -8.541 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.053 -6.858 -5.805 1.00 0.00 H new ATOM 1382 N ASN A 93 9.234 -9.109 -7.326 1.00 0.00 N ATOM 1383 CA ASN A 93 9.892 -10.398 -7.485 1.00 0.00 C ATOM 1384 C ASN A 93 8.868 -11.525 -7.404 1.00 0.00 C ATOM 1385 O ASN A 93 8.462 -11.939 -6.318 1.00 0.00 O ATOM 1386 CB ASN A 93 10.962 -10.577 -6.404 1.00 0.00 C ATOM 1387 CG ASN A 93 11.628 -11.939 -6.456 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.615 -12.611 -7.487 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.218 -12.351 -5.340 1.00 0.00 N ATOM 0 H ASN A 93 8.920 -8.903 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 93 10.371 -10.431 -8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.720 -9.802 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.508 -10.437 -5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.685 -13.258 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.204 -11.761 -4.508 1.00 0.00 H new ATOM 1396 N VAL A 94 8.466 -12.017 -8.568 1.00 0.00 N ATOM 1397 CA VAL A 94 7.496 -13.101 -8.657 1.00 0.00 C ATOM 1398 C VAL A 94 8.187 -14.443 -8.859 1.00 0.00 C ATOM 1399 O VAL A 94 8.516 -14.812 -9.987 1.00 0.00 O ATOM 1400 CB VAL A 94 6.501 -12.864 -9.807 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.409 -13.924 -9.798 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.904 -11.467 -9.707 1.00 0.00 C ATOM 0 H VAL A 94 8.800 -11.680 -9.471 1.00 0.00 H new ATOM 0 HA VAL A 94 6.951 -13.120 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 94 7.036 -12.942 -10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.716 -13.739 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.858 -14.910 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.870 -13.883 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.202 -11.312 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.381 -11.362 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.701 -10.726 -9.767 1.00 0.00 H new ATOM 1412 N ASP A 95 8.406 -15.179 -7.773 1.00 0.00 N ATOM 1413 CA ASP A 95 9.058 -16.482 -7.851 1.00 0.00 C ATOM 1414 C ASP A 95 10.389 -16.397 -8.593 1.00 0.00 C ATOM 1415 O ASP A 95 10.783 -17.336 -9.285 1.00 0.00 O ATOM 1416 CB ASP A 95 8.142 -17.500 -8.533 1.00 0.00 C ATOM 1417 CG ASP A 95 8.531 -18.929 -8.209 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.225 -19.139 -7.190 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.139 -19.839 -8.970 1.00 0.00 O ATOM 0 H ASP A 95 8.142 -14.895 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 95 9.259 -16.811 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.112 -17.326 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.177 -17.352 -9.612 1.00 0.00 H new ATOM 1424 N GLY A 96 11.079 -15.268 -8.447 1.00 0.00 N ATOM 1425 CA GLY A 96 12.366 -15.093 -9.106 1.00 0.00 C ATOM 1426 C GLY A 96 12.258 -14.427 -10.464 1.00 0.00 C ATOM 1427 O GLY A 96 13.085 -14.665 -11.345 1.00 0.00 O ATOM 0 H GLY A 96 10.772 -14.473 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.016 -14.495 -8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.842 -16.067 -9.223 1.00 0.00 H new ATOM 1431 N SER A 97 11.238 -13.594 -10.641 1.00 0.00 N ATOM 1432 CA SER A 97 11.036 -12.900 -11.907 1.00 0.00 C ATOM 1433 C SER A 97 10.566 -11.469 -11.674 1.00 0.00 C ATOM 1434 O SER A 97 9.665 -11.224 -10.871 1.00 0.00 O ATOM 1435 CB SER A 97 10.016 -13.650 -12.766 1.00 0.00 C ATOM 1436 OG SER A 97 8.709 -13.522 -12.233 1.00 0.00 O ATOM 0 H SER A 97 10.541 -13.384 -9.927 1.00 0.00 H new ATOM 0 HA SER A 97 11.991 -12.869 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.037 -13.261 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.288 -14.704 -12.822 1.00 0.00 H new ATOM 0 HG SER A 97 8.541 -14.251 -11.600 1.00 0.00 H new ATOM 1442 N LEU A 98 11.179 -10.528 -12.384 1.00 0.00 N ATOM 1443 CA LEU A 98 10.820 -9.122 -12.252 1.00 0.00 C ATOM 1444 C LEU A 98 9.492 -8.838 -12.940 1.00 0.00 C ATOM 1445 O LEU A 98 9.338 -9.072 -14.139 1.00 0.00 O ATOM 1446 CB LEU A 98 11.909 -8.228 -12.843 1.00 0.00 C ATOM 1447 CG LEU A 98 13.302 -8.416 -12.244 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.317 -7.560 -12.985 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.294 -8.074 -10.761 1.00 0.00 C ATOM 0 H LEU A 98 11.925 -10.713 -13.055 1.00 0.00 H new ATOM 0 HA LEU A 98 10.721 -8.901 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.965 -8.412 -13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.613 -7.187 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 98 13.588 -9.462 -12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.304 -7.705 -12.547 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.340 -7.850 -14.035 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.035 -6.510 -12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.294 -8.213 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.989 -7.036 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.594 -8.727 -10.241 1.00 0.00 H new ATOM 1461 N LYS A 99 8.532 -8.346 -12.168 1.00 0.00 N ATOM 1462 CA LYS A 99 7.208 -8.040 -12.691 1.00 0.00 C ATOM 1463 C LYS A 99 6.824 -6.594 -12.399 1.00 0.00 C ATOM 1464 O LYS A 99 7.054 -6.091 -11.304 1.00 0.00 O ATOM 1465 CB LYS A 99 6.182 -8.992 -12.076 1.00 0.00 C ATOM 1466 CG LYS A 99 6.147 -10.355 -12.750 1.00 0.00 C ATOM 1467 CD LYS A 99 4.725 -10.860 -12.935 1.00 0.00 C ATOM 1468 CE LYS A 99 4.665 -12.380 -12.884 1.00 0.00 C ATOM 1469 NZ LYS A 99 4.712 -12.986 -14.244 1.00 0.00 N ATOM 0 H LYS A 99 8.647 -8.150 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 99 7.224 -8.171 -13.773 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.407 -9.123 -11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.193 -8.538 -12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.639 -10.293 -13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.711 -11.070 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.085 -10.443 -12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.335 -10.511 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.498 -12.756 -12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.749 -12.690 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.669 -14.022 -14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.903 -12.648 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.597 -12.712 -14.716 1.00 0.00 H new ATOM 1483 N TYR A 100 6.243 -5.931 -13.394 1.00 0.00 N ATOM 1484 CA TYR A 100 5.828 -4.540 -13.252 1.00 0.00 C ATOM 1485 C TYR A 100 4.466 -4.452 -12.573 1.00 0.00 C ATOM 1486 O TYR A 100 3.664 -5.382 -12.651 1.00 0.00 O ATOM 1487 CB TYR A 100 5.774 -3.866 -14.626 1.00 0.00 C ATOM 1488 CG TYR A 100 5.316 -2.423 -14.593 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.964 -2.103 -14.565 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.236 -1.382 -14.598 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.542 -0.787 -14.542 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.822 -0.063 -14.576 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.474 0.229 -14.548 1.00 0.00 C ATOM 1494 OH TYR A 100 4.058 1.540 -14.528 1.00 0.00 O ATOM 0 H TYR A 100 6.049 -6.336 -14.310 1.00 0.00 H new ATOM 0 HA TYR A 100 6.558 -4.023 -12.629 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.764 -3.911 -15.079 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.103 -4.434 -15.270 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.231 -2.896 -14.561 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.292 -1.607 -14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.487 -0.556 -14.519 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.550 0.735 -14.581 1.00 0.00 H new ATOM 0 HH TYR A 100 4.839 2.131 -14.534 1.00 0.00 H new