USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 44 LYS NZ :NH3+ -154:sc= 0.277 (180deg=0.115) USER MOD Set 1.2: A 77 TYR OH : rot -30:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.721 K(o=0.72,f=-3.7!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -25:sc= 0.323 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00641 USER MOD Single : A 65 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.186) USER MOD Single : A 68 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.172 USER MOD Single : A 74 THR OG1 : rot 101:sc= 0.295 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.267 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 115:sc= 0.149 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00323 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -90:sc= -3.48! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.909 15.085 -0.224 1.00 0.00 N ATOM 81 CA PRO A 9 8.510 13.893 0.530 1.00 0.00 C ATOM 82 C PRO A 9 9.288 12.651 0.107 1.00 0.00 C ATOM 83 O PRO A 9 9.212 12.223 -1.045 1.00 0.00 O ATOM 84 CB PRO A 9 7.026 13.737 0.188 1.00 0.00 C ATOM 85 CG PRO A 9 6.872 14.399 -1.138 1.00 0.00 C ATOM 86 CD PRO A 9 7.856 15.536 -1.150 1.00 0.00 C ATOM 0 HA PRO A 9 8.707 14.001 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.738 12.687 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.394 14.208 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.074 13.700 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.854 14.763 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.250 15.716 -2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.398 16.467 -0.816 1.00 0.00 H new ATOM 94 N ILE A 10 10.034 12.078 1.045 1.00 0.00 N ATOM 95 CA ILE A 10 10.824 10.885 0.768 1.00 0.00 C ATOM 96 C ILE A 10 10.353 9.706 1.613 1.00 0.00 C ATOM 97 O ILE A 10 10.389 9.757 2.843 1.00 0.00 O ATOM 98 CB ILE A 10 12.322 11.127 1.035 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.903 12.073 -0.018 1.00 0.00 C ATOM 100 CG2 ILE A 10 13.078 9.807 1.044 1.00 0.00 C ATOM 101 CD1 ILE A 10 14.259 12.631 0.354 1.00 0.00 C ATOM 0 H ILE A 10 10.108 12.420 2.003 1.00 0.00 H new ATOM 0 HA ILE A 10 10.684 10.652 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 10 12.431 11.592 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.985 11.542 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.210 12.899 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.135 9.994 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.677 9.163 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.964 9.316 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.610 13.293 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.179 13.191 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.967 11.812 0.482 1.00 0.00 H new ATOM 113 N ILE A 11 9.914 8.644 0.945 1.00 0.00 N ATOM 114 CA ILE A 11 9.439 7.451 1.634 1.00 0.00 C ATOM 115 C ILE A 11 10.596 6.682 2.263 1.00 0.00 C ATOM 116 O ILE A 11 11.219 5.839 1.617 1.00 0.00 O ATOM 117 CB ILE A 11 8.675 6.516 0.679 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.405 7.200 0.169 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.334 5.208 1.378 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.770 6.494 -1.009 1.00 0.00 C ATOM 0 H ILE A 11 9.878 8.586 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 11 8.761 7.788 2.418 1.00 0.00 H new ATOM 0 HB ILE A 11 9.314 6.293 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.681 7.256 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.644 8.224 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.794 4.558 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.253 4.716 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.711 5.412 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.875 7.034 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.477 6.461 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.500 5.478 -0.722 1.00 0.00 H new ATOM 132 N LEU A 12 10.878 6.977 3.527 1.00 0.00 N ATOM 133 CA LEU A 12 11.960 6.312 4.245 1.00 0.00 C ATOM 134 C LEU A 12 11.850 4.797 4.112 1.00 0.00 C ATOM 135 O LEU A 12 12.765 4.141 3.615 1.00 0.00 O ATOM 136 CB LEU A 12 11.937 6.709 5.722 1.00 0.00 C ATOM 137 CG LEU A 12 11.924 8.210 6.014 1.00 0.00 C ATOM 138 CD1 LEU A 12 11.378 8.478 7.408 1.00 0.00 C ATOM 139 CD2 LEU A 12 13.320 8.795 5.864 1.00 0.00 C ATOM 0 H LEU A 12 10.373 7.672 4.076 1.00 0.00 H new ATOM 0 HA LEU A 12 12.905 6.629 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.057 6.262 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.809 6.272 6.209 1.00 0.00 H new ATOM 0 HG LEU A 12 11.269 8.696 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.376 9.551 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.360 8.095 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.006 7.980 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.291 9.864 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.997 8.305 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.674 8.636 4.845 1.00 0.00 H new ATOM 151 N GLN A 13 10.725 4.248 4.559 1.00 0.00 N ATOM 152 CA GLN A 13 10.496 2.810 4.488 1.00 0.00 C ATOM 153 C GLN A 13 9.163 2.503 3.813 1.00 0.00 C ATOM 154 O GLN A 13 8.168 2.222 4.481 1.00 0.00 O ATOM 155 CB GLN A 13 10.525 2.198 5.890 1.00 0.00 C ATOM 156 CG GLN A 13 11.926 1.878 6.385 1.00 0.00 C ATOM 157 CD GLN A 13 11.955 1.514 7.857 1.00 0.00 C ATOM 158 OE1 GLN A 13 12.140 0.352 8.217 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.773 2.510 8.717 1.00 0.00 N ATOM 0 H GLN A 13 9.958 4.777 4.974 1.00 0.00 H new ATOM 0 HA GLN A 13 11.294 2.370 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.051 2.888 6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.931 1.284 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.334 1.052 5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.573 2.738 6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.623 3.459 8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.783 2.326 9.720 1.00 0.00 H new ATOM 168 N GLY A 14 9.150 2.560 2.485 1.00 0.00 N ATOM 169 CA GLY A 14 7.934 2.287 1.742 1.00 0.00 C ATOM 170 C GLY A 14 7.496 0.840 1.860 1.00 0.00 C ATOM 171 O GLY A 14 7.938 0.105 2.743 1.00 0.00 O ATOM 0 H GLY A 14 9.960 2.791 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.137 2.936 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.091 2.532 0.691 1.00 0.00 H new ATOM 175 N PRO A 15 6.604 0.413 0.954 1.00 0.00 N ATOM 176 CA PRO A 15 6.085 -0.958 0.940 1.00 0.00 C ATOM 177 C PRO A 15 7.143 -1.974 0.522 1.00 0.00 C ATOM 178 O PRO A 15 8.334 -1.667 0.493 1.00 0.00 O ATOM 179 CB PRO A 15 4.960 -0.901 -0.096 1.00 0.00 C ATOM 180 CG PRO A 15 5.329 0.229 -0.994 1.00 0.00 C ATOM 181 CD PRO A 15 6.033 1.235 -0.126 1.00 0.00 C ATOM 0 HA PRO A 15 5.757 -1.280 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.883 -1.837 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.993 -0.731 0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.977 -0.110 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.444 0.665 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.807 1.769 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.343 1.984 0.261 1.00 0.00 H new ATOM 189 N ALA A 16 6.699 -3.184 0.199 1.00 0.00 N ATOM 190 CA ALA A 16 7.607 -4.244 -0.220 1.00 0.00 C ATOM 191 C ALA A 16 6.840 -5.427 -0.802 1.00 0.00 C ATOM 192 O ALA A 16 5.661 -5.618 -0.510 1.00 0.00 O ATOM 193 CB ALA A 16 8.467 -4.695 0.951 1.00 0.00 C ATOM 0 H ALA A 16 5.716 -3.454 0.220 1.00 0.00 H new ATOM 0 HA ALA A 16 8.255 -3.846 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.141 -5.487 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.051 -3.852 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.827 -5.070 1.749 1.00 0.00 H new ATOM 199 N ASN A 17 7.519 -6.217 -1.627 1.00 0.00 N ATOM 200 CA ASN A 17 6.900 -7.381 -2.252 1.00 0.00 C ATOM 201 C ASN A 17 6.616 -8.467 -1.218 1.00 0.00 C ATOM 202 O ASN A 17 7.535 -9.118 -0.721 1.00 0.00 O ATOM 203 CB ASN A 17 7.804 -7.935 -3.355 1.00 0.00 C ATOM 204 CG ASN A 17 9.258 -8.002 -2.932 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.892 -6.976 -2.686 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.794 -9.214 -2.844 1.00 0.00 N ATOM 0 H ASN A 17 8.497 -6.073 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 17 5.954 -7.066 -2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.463 -8.932 -3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.715 -7.308 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.769 -9.321 -2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.231 -10.037 -3.057 1.00 0.00 H new ATOM 213 N GLN A 18 5.340 -8.655 -0.900 1.00 0.00 N ATOM 214 CA GLN A 18 4.936 -9.662 0.074 1.00 0.00 C ATOM 215 C GLN A 18 4.019 -10.701 -0.564 1.00 0.00 C ATOM 216 O GLN A 18 3.156 -10.368 -1.377 1.00 0.00 O ATOM 217 CB GLN A 18 4.230 -9.001 1.259 1.00 0.00 C ATOM 218 CG GLN A 18 3.204 -7.956 0.850 1.00 0.00 C ATOM 219 CD GLN A 18 2.694 -7.147 2.027 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.249 -7.703 3.031 1.00 0.00 O ATOM 221 NE2 GLN A 18 2.757 -5.826 1.908 1.00 0.00 N ATOM 0 H GLN A 18 4.568 -8.123 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 18 5.834 -10.167 0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.736 -9.771 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.976 -8.534 1.901 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.649 -7.283 0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.364 -8.449 0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.134 -5.408 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.429 -5.229 2.667 1.00 0.00 H new ATOM 230 N THR A 19 4.212 -11.962 -0.191 1.00 0.00 N ATOM 231 CA THR A 19 3.405 -13.050 -0.728 1.00 0.00 C ATOM 232 C THR A 19 2.492 -13.637 0.343 1.00 0.00 C ATOM 233 O THR A 19 2.910 -14.483 1.134 1.00 0.00 O ATOM 234 CB THR A 19 4.287 -14.172 -1.306 1.00 0.00 C ATOM 235 OG1 THR A 19 5.131 -13.650 -2.338 1.00 0.00 O ATOM 236 CG2 THR A 19 3.432 -15.299 -1.865 1.00 0.00 C ATOM 0 H THR A 19 4.921 -12.255 0.481 1.00 0.00 H new ATOM 0 HA THR A 19 2.797 -12.628 -1.528 1.00 0.00 H new ATOM 0 HB THR A 19 4.904 -14.570 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.690 -14.370 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.077 -16.080 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.812 -15.714 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.793 -14.912 -2.658 1.00 0.00 H new ATOM 244 N LEU A 20 1.243 -13.184 0.362 1.00 0.00 N ATOM 245 CA LEU A 20 0.270 -13.666 1.336 1.00 0.00 C ATOM 246 C LEU A 20 -0.700 -14.653 0.695 1.00 0.00 C ATOM 247 O LEU A 20 -0.653 -14.889 -0.512 1.00 0.00 O ATOM 248 CB LEU A 20 -0.504 -12.491 1.937 1.00 0.00 C ATOM 249 CG LEU A 20 0.340 -11.333 2.469 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.444 -10.031 2.416 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.804 -11.620 3.890 1.00 0.00 C ATOM 0 H LEU A 20 0.881 -12.484 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 20 0.812 -14.181 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.181 -12.101 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.122 -12.868 2.752 1.00 0.00 H new ATOM 0 HG LEU A 20 1.220 -11.229 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.174 -9.219 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.726 -9.818 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.343 -10.122 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.404 -10.785 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.064 -11.752 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.405 -12.529 3.900 1.00 0.00 H new ATOM 263 N ALA A 21 -1.579 -15.226 1.510 1.00 0.00 N ATOM 264 CA ALA A 21 -2.563 -16.184 1.022 1.00 0.00 C ATOM 265 C ALA A 21 -3.940 -15.542 0.897 1.00 0.00 C ATOM 266 O ALA A 21 -4.337 -14.733 1.736 1.00 0.00 O ATOM 267 CB ALA A 21 -2.623 -17.394 1.942 1.00 0.00 C ATOM 0 H ALA A 21 -1.630 -15.043 2.512 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.253 -16.512 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.362 -18.101 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.645 -17.874 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.905 -17.075 2.945 1.00 0.00 H new ATOM 273 N VAL A 22 -4.666 -15.908 -0.155 1.00 0.00 N ATOM 274 CA VAL A 22 -6.000 -15.368 -0.388 1.00 0.00 C ATOM 275 C VAL A 22 -6.852 -15.442 0.874 1.00 0.00 C ATOM 276 O VAL A 22 -6.671 -16.332 1.705 1.00 0.00 O ATOM 277 CB VAL A 22 -6.718 -16.119 -1.525 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.644 -17.622 -1.302 1.00 0.00 C ATOM 279 CG2 VAL A 22 -8.164 -15.659 -1.637 1.00 0.00 C ATOM 0 H VAL A 22 -4.353 -16.576 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.873 -14.324 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.214 -15.890 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.157 -18.136 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.600 -17.935 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.122 -17.873 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.656 -16.200 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.683 -15.857 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.190 -14.590 -1.847 1.00 0.00 H new ATOM 289 N ASP A 23 -7.781 -14.503 1.010 1.00 0.00 N ATOM 290 CA ASP A 23 -8.663 -14.462 2.170 1.00 0.00 C ATOM 291 C ASP A 23 -7.878 -14.146 3.439 1.00 0.00 C ATOM 292 O ASP A 23 -8.141 -14.710 4.501 1.00 0.00 O ATOM 293 CB ASP A 23 -9.395 -15.796 2.328 1.00 0.00 C ATOM 294 CG ASP A 23 -10.697 -15.655 3.093 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.647 -15.299 4.289 1.00 0.00 O ATOM 296 OD2 ASP A 23 -11.765 -15.899 2.495 1.00 0.00 O ATOM 0 H ASP A 23 -7.943 -13.759 0.331 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.395 -13.671 2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.600 -16.214 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.747 -16.503 2.846 1.00 0.00 H new ATOM 301 N GLY A 24 -6.911 -13.241 3.321 1.00 0.00 N ATOM 302 CA GLY A 24 -6.101 -12.867 4.466 1.00 0.00 C ATOM 303 C GLY A 24 -6.163 -11.381 4.759 1.00 0.00 C ATOM 304 O GLY A 24 -7.247 -10.811 4.893 1.00 0.00 O ATOM 0 H GLY A 24 -6.674 -12.760 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.438 -13.421 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.066 -13.156 4.285 1.00 0.00 H new ATOM 308 N THR A 25 -4.997 -10.750 4.861 1.00 0.00 N ATOM 309 CA THR A 25 -4.923 -9.322 5.143 1.00 0.00 C ATOM 310 C THR A 25 -3.540 -8.768 4.819 1.00 0.00 C ATOM 311 O THR A 25 -2.551 -9.133 5.454 1.00 0.00 O ATOM 312 CB THR A 25 -5.251 -9.023 6.618 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.477 -9.664 6.987 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.366 -7.525 6.854 1.00 0.00 C ATOM 0 H THR A 25 -4.091 -11.206 4.752 1.00 0.00 H new ATOM 0 HA THR A 25 -5.664 -8.836 4.508 1.00 0.00 H new ATOM 0 HB THR A 25 -4.439 -9.411 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.028 -9.801 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.598 -7.339 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.422 -7.043 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.161 -7.118 6.229 1.00 0.00 H new ATOM 322 N ALA A 26 -3.479 -7.885 3.828 1.00 0.00 N ATOM 323 CA ALA A 26 -2.217 -7.279 3.423 1.00 0.00 C ATOM 324 C ALA A 26 -2.034 -5.909 4.066 1.00 0.00 C ATOM 325 O ALA A 26 -2.895 -5.036 3.947 1.00 0.00 O ATOM 326 CB ALA A 26 -2.149 -7.166 1.907 1.00 0.00 C ATOM 0 H ALA A 26 -4.288 -7.574 3.291 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.407 -7.923 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.201 -6.712 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.225 -8.159 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.972 -6.546 1.551 1.00 0.00 H new ATOM 332 N LEU A 27 -0.908 -5.726 4.748 1.00 0.00 N ATOM 333 CA LEU A 27 -0.613 -4.461 5.411 1.00 0.00 C ATOM 334 C LEU A 27 0.558 -3.753 4.737 1.00 0.00 C ATOM 335 O LEU A 27 1.720 -4.081 4.982 1.00 0.00 O ATOM 336 CB LEU A 27 -0.298 -4.699 6.889 1.00 0.00 C ATOM 337 CG LEU A 27 -1.501 -4.767 7.829 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.270 -3.455 7.808 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.411 -5.926 7.448 1.00 0.00 C ATOM 0 H LEU A 27 -0.185 -6.437 4.856 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.493 -3.823 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.258 -5.632 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.361 -3.902 7.232 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.136 -4.935 8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.123 -3.522 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.616 -2.645 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.623 -3.256 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.262 -5.959 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.767 -5.788 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.856 -6.862 7.516 1.00 0.00 H new ATOM 351 N LEU A 28 0.246 -2.780 3.889 1.00 0.00 N ATOM 352 CA LEU A 28 1.273 -2.024 3.180 1.00 0.00 C ATOM 353 C LEU A 28 1.728 -0.822 4.002 1.00 0.00 C ATOM 354 O LEU A 28 0.997 0.157 4.149 1.00 0.00 O ATOM 355 CB LEU A 28 0.745 -1.556 1.823 1.00 0.00 C ATOM 356 CG LEU A 28 0.377 -2.660 0.830 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.051 -3.130 1.059 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.556 -2.171 -0.600 1.00 0.00 C ATOM 0 H LEU A 28 -0.710 -2.496 3.675 1.00 0.00 H new ATOM 0 HA LEU A 28 2.129 -2.680 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.137 -0.938 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.499 -0.917 1.363 1.00 0.00 H new ATOM 0 HG LEU A 28 1.046 -3.505 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.295 -3.915 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.148 -3.520 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.736 -2.292 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.290 -2.969 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.089 -1.309 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.595 -1.884 -0.759 1.00 0.00 H new ATOM 370 N LYS A 29 2.943 -0.903 4.535 1.00 0.00 N ATOM 371 CA LYS A 29 3.499 0.178 5.340 1.00 0.00 C ATOM 372 C LYS A 29 4.315 1.135 4.477 1.00 0.00 C ATOM 373 O LYS A 29 5.344 0.757 3.916 1.00 0.00 O ATOM 374 CB LYS A 29 4.375 -0.390 6.459 1.00 0.00 C ATOM 375 CG LYS A 29 3.597 -1.168 7.505 1.00 0.00 C ATOM 376 CD LYS A 29 4.473 -2.197 8.200 1.00 0.00 C ATOM 377 CE LYS A 29 3.653 -3.373 8.710 1.00 0.00 C ATOM 378 NZ LYS A 29 4.502 -4.569 8.971 1.00 0.00 N ATOM 0 H LYS A 29 3.561 -1.707 4.424 1.00 0.00 H new ATOM 0 HA LYS A 29 2.670 0.732 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.131 -1.042 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.904 0.429 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.188 -0.478 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.751 -1.668 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.234 -2.556 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.996 -1.728 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.138 -3.086 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.885 -3.625 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.907 -5.348 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.974 -4.858 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.219 -4.336 9.688 1.00 0.00 H new ATOM 392 N CYS A 30 3.850 2.376 4.374 1.00 0.00 N ATOM 393 CA CYS A 30 4.537 3.387 3.580 1.00 0.00 C ATOM 394 C CYS A 30 4.873 4.609 4.429 1.00 0.00 C ATOM 395 O CYS A 30 4.111 5.575 4.477 1.00 0.00 O ATOM 396 CB CYS A 30 3.672 3.803 2.388 1.00 0.00 C ATOM 397 SG CYS A 30 4.566 4.756 1.118 1.00 0.00 S ATOM 0 H CYS A 30 3.000 2.705 4.831 1.00 0.00 H new ATOM 0 HA CYS A 30 5.468 2.955 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.252 2.909 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.834 4.398 2.751 1.00 0.00 H new ATOM 402 N LYS A 31 6.020 4.560 5.099 1.00 0.00 N ATOM 403 CA LYS A 31 6.460 5.662 5.946 1.00 0.00 C ATOM 404 C LYS A 31 7.171 6.731 5.122 1.00 0.00 C ATOM 405 O LYS A 31 8.102 6.434 4.374 1.00 0.00 O ATOM 406 CB LYS A 31 7.392 5.148 7.045 1.00 0.00 C ATOM 407 CG LYS A 31 8.014 6.252 7.881 1.00 0.00 C ATOM 408 CD LYS A 31 7.096 6.679 9.014 1.00 0.00 C ATOM 409 CE LYS A 31 7.778 7.675 9.940 1.00 0.00 C ATOM 410 NZ LYS A 31 6.942 7.987 11.131 1.00 0.00 N ATOM 0 H LYS A 31 6.662 3.768 5.071 1.00 0.00 H new ATOM 0 HA LYS A 31 5.578 6.108 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.834 4.479 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.187 4.558 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.963 5.908 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.233 7.110 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.191 7.125 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.788 5.802 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.737 7.271 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.988 8.594 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.442 8.669 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.037 8.396 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.762 7.114 11.667 1.00 0.00 H new ATOM 424 N ALA A 32 6.727 7.975 5.265 1.00 0.00 N ATOM 425 CA ALA A 32 7.323 9.088 4.536 1.00 0.00 C ATOM 426 C ALA A 32 7.416 10.332 5.414 1.00 0.00 C ATOM 427 O ALA A 32 6.594 10.537 6.308 1.00 0.00 O ATOM 428 CB ALA A 32 6.520 9.387 3.279 1.00 0.00 C ATOM 0 H ALA A 32 5.956 8.238 5.879 1.00 0.00 H new ATOM 0 HA ALA A 32 8.334 8.801 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.977 10.220 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.509 8.507 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.498 9.649 3.554 1.00 0.00 H new ATOM 434 N THR A 33 8.424 11.160 5.154 1.00 0.00 N ATOM 435 CA THR A 33 8.625 12.382 5.922 1.00 0.00 C ATOM 436 C THR A 33 8.526 13.614 5.030 1.00 0.00 C ATOM 437 O THR A 33 9.012 13.615 3.900 1.00 0.00 O ATOM 438 CB THR A 33 9.994 12.383 6.628 1.00 0.00 C ATOM 439 OG1 THR A 33 10.137 13.567 7.420 1.00 0.00 O ATOM 440 CG2 THR A 33 11.126 12.305 5.614 1.00 0.00 C ATOM 0 H THR A 33 9.113 11.006 4.418 1.00 0.00 H new ATOM 0 HA THR A 33 7.836 12.416 6.674 1.00 0.00 H new ATOM 0 HB THR A 33 10.045 11.507 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.009 13.558 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.083 12.307 6.136 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.032 11.388 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.076 13.164 4.945 1.00 0.00 H new ATOM 448 N GLY A 34 7.893 14.663 5.545 1.00 0.00 N ATOM 449 CA GLY A 34 7.742 15.888 4.781 1.00 0.00 C ATOM 450 C GLY A 34 6.769 16.856 5.425 1.00 0.00 C ATOM 451 O GLY A 34 5.721 16.452 5.928 1.00 0.00 O ATOM 0 H GLY A 34 7.482 14.687 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.714 16.370 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.397 15.646 3.776 1.00 0.00 H new ATOM 455 N ASP A 35 7.117 18.138 5.411 1.00 0.00 N ATOM 456 CA ASP A 35 6.267 19.168 5.998 1.00 0.00 C ATOM 457 C ASP A 35 5.736 20.111 4.923 1.00 0.00 C ATOM 458 O ASP A 35 6.493 20.735 4.180 1.00 0.00 O ATOM 459 CB ASP A 35 7.043 19.960 7.051 1.00 0.00 C ATOM 460 CG ASP A 35 6.135 20.791 7.936 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.504 20.214 8.847 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.056 22.018 7.718 1.00 0.00 O ATOM 0 H ASP A 35 7.982 18.489 5.000 1.00 0.00 H new ATOM 0 HA ASP A 35 5.419 18.677 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.617 19.270 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.759 20.614 6.554 1.00 0.00 H new ATOM 467 N PRO A 36 4.401 20.219 4.838 1.00 0.00 N ATOM 468 CA PRO A 36 3.490 19.482 5.718 1.00 0.00 C ATOM 469 C PRO A 36 3.485 17.985 5.425 1.00 0.00 C ATOM 470 O PRO A 36 4.039 17.538 4.420 1.00 0.00 O ATOM 471 CB PRO A 36 2.122 20.092 5.403 1.00 0.00 C ATOM 472 CG PRO A 36 2.252 20.619 4.015 1.00 0.00 C ATOM 473 CD PRO A 36 3.680 21.069 3.876 1.00 0.00 C ATOM 0 HA PRO A 36 3.779 19.566 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.331 19.345 5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.871 20.886 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.012 19.850 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.564 21.447 3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.049 20.928 2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.793 22.127 4.112 1.00 0.00 H new ATOM 481 N LEU A 37 2.858 17.216 6.308 1.00 0.00 N ATOM 482 CA LEU A 37 2.781 15.769 6.143 1.00 0.00 C ATOM 483 C LEU A 37 2.222 15.406 4.771 1.00 0.00 C ATOM 484 O LEU A 37 1.217 15.953 4.318 1.00 0.00 O ATOM 485 CB LEU A 37 1.908 15.157 7.241 1.00 0.00 C ATOM 486 CG LEU A 37 1.897 13.630 7.316 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.999 13.133 8.239 1.00 0.00 C ATOM 488 CD2 LEU A 37 0.539 13.129 7.786 1.00 0.00 C ATOM 0 H LEU A 37 2.396 17.570 7.145 1.00 0.00 H new ATOM 0 HA LEU A 37 3.790 15.365 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.243 15.546 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.884 15.501 7.097 1.00 0.00 H new ATOM 0 HG LEU A 37 2.082 13.235 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.976 12.044 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.967 13.461 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.845 13.537 9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.549 12.040 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.324 13.533 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.231 13.454 7.086 1.00 0.00 H new ATOM 500 N PRO A 38 2.887 14.458 4.094 1.00 0.00 N ATOM 501 CA PRO A 38 2.473 13.998 2.765 1.00 0.00 C ATOM 502 C PRO A 38 1.176 13.197 2.806 1.00 0.00 C ATOM 503 O PRO A 38 0.862 12.557 3.810 1.00 0.00 O ATOM 504 CB PRO A 38 3.637 13.109 2.319 1.00 0.00 C ATOM 505 CG PRO A 38 4.262 12.640 3.587 1.00 0.00 C ATOM 506 CD PRO A 38 4.093 13.762 4.573 1.00 0.00 C ATOM 0 HA PRO A 38 2.271 14.830 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.287 12.271 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.349 13.665 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.781 11.730 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.316 12.406 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.965 13.388 5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.960 14.422 4.583 1.00 0.00 H new ATOM 514 N VAL A 39 0.426 13.235 1.709 1.00 0.00 N ATOM 515 CA VAL A 39 -0.836 12.511 1.620 1.00 0.00 C ATOM 516 C VAL A 39 -0.624 11.101 1.081 1.00 0.00 C ATOM 517 O VAL A 39 -0.782 10.853 -0.115 1.00 0.00 O ATOM 518 CB VAL A 39 -1.843 13.248 0.718 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.145 12.467 0.620 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.094 14.655 1.238 1.00 0.00 C ATOM 0 H VAL A 39 0.671 13.760 0.869 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.240 12.453 2.631 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.418 13.325 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.844 13.004 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.947 11.482 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.578 12.355 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.808 15.161 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.497 14.603 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.157 15.211 1.250 1.00 0.00 H new ATOM 530 N ILE A 40 -0.266 10.181 1.970 1.00 0.00 N ATOM 531 CA ILE A 40 -0.034 8.795 1.584 1.00 0.00 C ATOM 532 C ILE A 40 -1.178 8.265 0.726 1.00 0.00 C ATOM 533 O ILE A 40 -2.276 8.014 1.224 1.00 0.00 O ATOM 534 CB ILE A 40 0.132 7.887 2.816 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.273 8.395 3.701 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.389 6.451 2.385 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.615 8.414 3.005 1.00 0.00 C ATOM 0 H ILE A 40 -0.130 10.371 2.963 1.00 0.00 H new ATOM 0 HA ILE A 40 0.889 8.779 1.005 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.791 7.913 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.036 9.402 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.342 7.765 4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.504 5.821 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.452 6.093 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.299 6.408 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.376 8.785 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.874 7.404 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.564 9.067 2.134 1.00 0.00 H new ATOM 549 N SER A 41 -0.913 8.094 -0.565 1.00 0.00 N ATOM 550 CA SER A 41 -1.921 7.595 -1.493 1.00 0.00 C ATOM 551 C SER A 41 -1.547 6.208 -2.007 1.00 0.00 C ATOM 552 O SER A 41 -0.544 5.629 -1.589 1.00 0.00 O ATOM 553 CB SER A 41 -2.085 8.560 -2.668 1.00 0.00 C ATOM 554 OG SER A 41 -3.236 8.243 -3.431 1.00 0.00 O ATOM 0 H SER A 41 -0.009 8.294 -0.992 1.00 0.00 H new ATOM 0 HA SER A 41 -2.868 7.522 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.162 9.582 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.200 8.518 -3.304 1.00 0.00 H new ATOM 0 HG SER A 41 -3.320 8.875 -4.175 1.00 0.00 H new ATOM 560 N TRP A 42 -2.360 5.682 -2.916 1.00 0.00 N ATOM 561 CA TRP A 42 -2.115 4.363 -3.488 1.00 0.00 C ATOM 562 C TRP A 42 -2.772 4.233 -4.858 1.00 0.00 C ATOM 563 O TRP A 42 -3.954 4.537 -5.022 1.00 0.00 O ATOM 564 CB TRP A 42 -2.639 3.273 -2.552 1.00 0.00 C ATOM 565 CG TRP A 42 -1.973 3.272 -1.209 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.375 3.951 -0.094 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.787 2.559 -0.842 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.509 3.703 0.944 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.527 2.852 0.512 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.080 1.701 -1.523 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.563 2.317 1.193 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.162 1.171 -0.846 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.396 1.480 0.501 1.00 0.00 C ATOM 0 H TRP A 42 -3.194 6.148 -3.273 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.039 4.241 -3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.712 3.405 -2.417 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.494 2.300 -3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.245 4.589 -0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.585 4.090 1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.092 1.456 -2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.745 2.554 2.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.839 0.507 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.250 1.049 1.003 1.00 0.00 H new ATOM 584 N LEU A 43 -1.999 3.779 -5.839 1.00 0.00 N ATOM 585 CA LEU A 43 -2.507 3.609 -7.196 1.00 0.00 C ATOM 586 C LEU A 43 -2.353 2.163 -7.657 1.00 0.00 C ATOM 587 O LEU A 43 -1.241 1.644 -7.747 1.00 0.00 O ATOM 588 CB LEU A 43 -1.772 4.544 -8.158 1.00 0.00 C ATOM 589 CG LEU A 43 -2.051 6.038 -7.985 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.117 6.859 -8.861 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.504 6.351 -8.311 1.00 0.00 C ATOM 0 H LEU A 43 -1.019 3.522 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.568 3.860 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.700 4.379 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.033 4.262 -9.178 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.868 6.305 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.329 7.919 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.083 6.657 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.268 6.590 -9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.684 7.418 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.714 6.069 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.156 5.790 -7.642 1.00 0.00 H new ATOM 603 N LYS A 44 -3.477 1.519 -7.951 1.00 0.00 N ATOM 604 CA LYS A 44 -3.469 0.134 -8.407 1.00 0.00 C ATOM 605 C LYS A 44 -3.364 0.062 -9.927 1.00 0.00 C ATOM 606 O LYS A 44 -4.362 0.195 -10.634 1.00 0.00 O ATOM 607 CB LYS A 44 -4.735 -0.587 -7.938 1.00 0.00 C ATOM 608 CG LYS A 44 -4.666 -2.097 -8.087 1.00 0.00 C ATOM 609 CD LYS A 44 -5.845 -2.778 -7.413 1.00 0.00 C ATOM 610 CE LYS A 44 -5.480 -4.172 -6.927 1.00 0.00 C ATOM 611 NZ LYS A 44 -6.308 -4.588 -5.761 1.00 0.00 N ATOM 0 H LYS A 44 -4.406 1.934 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.597 -0.359 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.916 -0.342 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.587 -0.213 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.650 -2.359 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.736 -2.464 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.182 -2.174 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.678 -2.842 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.613 -4.886 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.426 -4.196 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.785 -5.287 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.522 -3.757 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.196 -5.010 -6.099 1.00 0.00 H new ATOM 625 N GLU A 45 -2.148 -0.150 -10.422 1.00 0.00 N ATOM 626 CA GLU A 45 -1.914 -0.240 -11.858 1.00 0.00 C ATOM 627 C GLU A 45 -2.359 1.038 -12.563 1.00 0.00 C ATOM 628 O GLU A 45 -3.020 0.991 -13.599 1.00 0.00 O ATOM 629 CB GLU A 45 -2.657 -1.443 -12.444 1.00 0.00 C ATOM 630 CG GLU A 45 -2.289 -2.764 -11.788 1.00 0.00 C ATOM 631 CD GLU A 45 -2.866 -3.960 -12.520 1.00 0.00 C ATOM 632 OE1 GLU A 45 -4.059 -4.264 -12.312 1.00 0.00 O ATOM 633 OE2 GLU A 45 -2.124 -4.591 -13.302 1.00 0.00 O ATOM 0 H GLU A 45 -1.311 -0.262 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.844 -0.369 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.730 -1.282 -12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.445 -1.506 -13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.204 -2.856 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.646 -2.766 -10.758 1.00 0.00 H new ATOM 640 N GLY A 46 -1.991 2.181 -11.991 1.00 0.00 N ATOM 641 CA GLY A 46 -2.361 3.456 -12.577 1.00 0.00 C ATOM 642 C GLY A 46 -3.833 3.771 -12.399 1.00 0.00 C ATOM 643 O GLY A 46 -4.424 4.487 -13.207 1.00 0.00 O ATOM 0 H GLY A 46 -1.444 2.246 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.766 4.248 -12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.121 3.447 -13.640 1.00 0.00 H new ATOM 647 N PHE A 47 -4.427 3.233 -11.338 1.00 0.00 N ATOM 648 CA PHE A 47 -5.840 3.459 -11.058 1.00 0.00 C ATOM 649 C PHE A 47 -6.053 3.819 -9.590 1.00 0.00 C ATOM 650 O PHE A 47 -5.286 3.406 -8.720 1.00 0.00 O ATOM 651 CB PHE A 47 -6.657 2.215 -11.413 1.00 0.00 C ATOM 652 CG PHE A 47 -6.651 1.891 -12.880 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.520 2.532 -13.748 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.775 0.946 -13.390 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.516 2.238 -15.098 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.767 0.648 -14.740 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.639 1.293 -15.594 1.00 0.00 C ATOM 0 H PHE A 47 -3.952 2.638 -10.659 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.177 4.294 -11.671 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.264 1.362 -10.859 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.686 2.361 -11.086 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.209 3.270 -13.365 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.092 0.437 -12.726 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.197 2.746 -15.764 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.079 -0.089 -15.126 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.636 1.059 -16.648 1.00 0.00 H new ATOM 667 N THR A 48 -7.100 4.593 -9.323 1.00 0.00 N ATOM 668 CA THR A 48 -7.413 5.012 -7.962 1.00 0.00 C ATOM 669 C THR A 48 -7.416 3.823 -7.009 1.00 0.00 C ATOM 670 O THR A 48 -7.931 2.753 -7.335 1.00 0.00 O ATOM 671 CB THR A 48 -8.782 5.714 -7.892 1.00 0.00 C ATOM 672 OG1 THR A 48 -9.039 6.153 -6.554 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.894 4.781 -8.348 1.00 0.00 C ATOM 0 H THR A 48 -7.746 4.943 -10.031 1.00 0.00 H new ATOM 0 HA THR A 48 -6.636 5.715 -7.660 1.00 0.00 H new ATOM 0 HB THR A 48 -8.758 6.576 -8.559 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.910 6.600 -6.518 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.851 5.300 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.711 4.472 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.918 3.902 -7.704 1.00 0.00 H new ATOM 681 N PHE A 49 -6.838 4.016 -5.828 1.00 0.00 N ATOM 682 CA PHE A 49 -6.774 2.958 -4.826 1.00 0.00 C ATOM 683 C PHE A 49 -6.479 3.535 -3.444 1.00 0.00 C ATOM 684 O PHE A 49 -5.649 4.430 -3.281 1.00 0.00 O ATOM 685 CB PHE A 49 -5.701 1.934 -5.202 1.00 0.00 C ATOM 686 CG PHE A 49 -5.907 0.590 -4.566 1.00 0.00 C ATOM 687 CD1 PHE A 49 -6.958 -0.224 -4.957 1.00 0.00 C ATOM 688 CD2 PHE A 49 -5.049 0.139 -3.575 1.00 0.00 C ATOM 689 CE1 PHE A 49 -7.149 -1.462 -4.374 1.00 0.00 C ATOM 690 CE2 PHE A 49 -5.235 -1.098 -2.988 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.287 -1.899 -3.387 1.00 0.00 C ATOM 0 H PHE A 49 -6.407 4.895 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.744 2.463 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.686 1.816 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.724 2.319 -4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.636 0.113 -5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.226 0.762 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.971 -2.087 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.558 -1.438 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.435 -2.865 -2.928 1.00 0.00 H new ATOM 701 N PRO A 50 -7.176 3.013 -2.424 1.00 0.00 N ATOM 702 CA PRO A 50 -8.167 1.948 -2.606 1.00 0.00 C ATOM 703 C PRO A 50 -9.414 2.435 -3.336 1.00 0.00 C ATOM 704 O PRO A 50 -9.924 1.762 -4.231 1.00 0.00 O ATOM 705 CB PRO A 50 -8.513 1.537 -1.173 1.00 0.00 C ATOM 706 CG PRO A 50 -8.217 2.743 -0.351 1.00 0.00 C ATOM 707 CD PRO A 50 -7.050 3.421 -1.015 1.00 0.00 C ATOM 0 HA PRO A 50 -7.781 1.132 -3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.560 1.246 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.917 0.683 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.080 3.407 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.975 2.466 0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.098 4.504 -0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.101 3.099 -0.587 1.00 0.00 H new ATOM 715 N GLY A 51 -9.900 3.611 -2.949 1.00 0.00 N ATOM 716 CA GLY A 51 -11.083 4.168 -3.578 1.00 0.00 C ATOM 717 C GLY A 51 -12.361 3.757 -2.875 1.00 0.00 C ATOM 718 O GLY A 51 -13.093 2.893 -3.359 1.00 0.00 O ATOM 0 H GLY A 51 -9.495 4.187 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.009 5.255 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.124 3.845 -4.618 1.00 0.00 H new ATOM 772 N ARG A 55 -13.571 -3.458 1.556 1.00 0.00 N ATOM 773 CA ARG A 55 -12.584 -4.313 2.204 1.00 0.00 C ATOM 774 C ARG A 55 -11.245 -3.594 2.336 1.00 0.00 C ATOM 775 O ARG A 55 -10.469 -3.869 3.252 1.00 0.00 O ATOM 776 CB ARG A 55 -12.403 -5.610 1.412 1.00 0.00 C ATOM 777 CG ARG A 55 -11.387 -5.500 0.288 1.00 0.00 C ATOM 778 CD ARG A 55 -11.386 -6.744 -0.586 1.00 0.00 C ATOM 779 NE ARG A 55 -12.333 -6.636 -1.693 1.00 0.00 N ATOM 780 CZ ARG A 55 -12.287 -7.402 -2.777 1.00 0.00 C ATOM 781 NH1 ARG A 55 -11.345 -8.326 -2.900 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.184 -7.243 -3.742 1.00 0.00 N ATOM 0 HA ARG A 55 -12.948 -4.553 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.093 -6.402 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.364 -5.907 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.612 -4.625 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.393 -5.349 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.384 -6.909 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.636 -7.614 0.021 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.070 -5.934 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.653 -8.450 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.312 -8.913 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.910 -6.532 -3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.148 -7.832 -4.574 1.00 0.00 H new ATOM 796 N ALA A 56 -10.980 -2.673 1.416 1.00 0.00 N ATOM 797 CA ALA A 56 -9.736 -1.914 1.430 1.00 0.00 C ATOM 798 C ALA A 56 -9.938 -0.542 2.064 1.00 0.00 C ATOM 799 O ALA A 56 -11.010 0.054 1.953 1.00 0.00 O ATOM 800 CB ALA A 56 -9.190 -1.769 0.017 1.00 0.00 C ATOM 0 H ALA A 56 -11.611 -2.434 0.651 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.012 -2.462 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.261 -1.200 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.999 -2.757 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.919 -1.246 -0.603 1.00 0.00 H new ATOM 806 N THR A 57 -8.900 -0.045 2.731 1.00 0.00 N ATOM 807 CA THR A 57 -8.964 1.256 3.385 1.00 0.00 C ATOM 808 C THR A 57 -7.568 1.796 3.671 1.00 0.00 C ATOM 809 O THR A 57 -6.568 1.122 3.423 1.00 0.00 O ATOM 810 CB THR A 57 -9.755 1.183 4.705 1.00 0.00 C ATOM 811 OG1 THR A 57 -10.104 2.502 5.140 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.941 0.486 5.785 1.00 0.00 C ATOM 0 H THR A 57 -8.005 -0.524 2.832 1.00 0.00 H new ATOM 0 HA THR A 57 -9.478 1.930 2.699 1.00 0.00 H new ATOM 0 HB THR A 57 -10.663 0.607 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.608 2.447 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.520 0.446 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.701 -0.527 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.018 1.039 5.959 1.00 0.00 H new ATOM 820 N ILE A 58 -7.507 3.016 4.195 1.00 0.00 N ATOM 821 CA ILE A 58 -6.232 3.646 4.516 1.00 0.00 C ATOM 822 C ILE A 58 -6.200 4.113 5.967 1.00 0.00 C ATOM 823 O ILE A 58 -7.069 4.865 6.406 1.00 0.00 O ATOM 824 CB ILE A 58 -5.950 4.848 3.595 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.843 4.389 2.140 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.676 5.558 4.027 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.687 5.529 1.157 1.00 0.00 C ATOM 0 H ILE A 58 -8.325 3.587 4.406 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.460 2.892 4.362 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.779 5.551 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.991 3.716 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.734 3.816 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.490 6.405 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.787 5.914 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.837 4.865 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.617 5.130 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.550 6.191 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.781 6.089 1.390 1.00 0.00 H new ATOM 888 N GLY A 62 -1.586 6.038 6.825 1.00 0.00 N ATOM 889 CA GLY A 62 -1.480 5.753 5.406 1.00 0.00 C ATOM 890 C GLY A 62 -1.414 4.267 5.117 1.00 0.00 C ATOM 891 O GLY A 62 -1.866 3.810 4.066 1.00 0.00 O ATOM 0 HA2 GLY A 62 -2.337 6.183 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.589 6.238 5.007 1.00 0.00 H new ATOM 895 N THR A 63 -0.848 3.508 6.050 1.00 0.00 N ATOM 896 CA THR A 63 -0.722 2.065 5.889 1.00 0.00 C ATOM 897 C THR A 63 -1.973 1.471 5.253 1.00 0.00 C ATOM 898 O THR A 63 -3.008 1.332 5.905 1.00 0.00 O ATOM 899 CB THR A 63 -0.467 1.369 7.240 1.00 0.00 C ATOM 900 OG1 THR A 63 0.577 2.044 7.949 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.087 -0.090 7.034 1.00 0.00 C ATOM 0 H THR A 63 -0.469 3.869 6.926 1.00 0.00 H new ATOM 0 HA THR A 63 0.132 1.894 5.233 1.00 0.00 H new ATOM 0 HB THR A 63 -1.387 1.409 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.732 1.597 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.088 -0.560 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.897 -0.608 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.820 -0.148 6.433 1.00 0.00 H new ATOM 909 N LEU A 64 -1.872 1.121 3.975 1.00 0.00 N ATOM 910 CA LEU A 64 -2.996 0.541 3.249 1.00 0.00 C ATOM 911 C LEU A 64 -3.274 -0.882 3.724 1.00 0.00 C ATOM 912 O LEU A 64 -2.387 -1.734 3.713 1.00 0.00 O ATOM 913 CB LEU A 64 -2.714 0.543 1.746 1.00 0.00 C ATOM 914 CG LEU A 64 -3.934 0.401 0.834 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.638 0.971 -0.545 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.356 -1.057 0.731 1.00 0.00 C ATOM 0 H LEU A 64 -1.023 1.229 3.420 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.878 1.150 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.203 1.472 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.023 -0.271 1.525 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.758 0.967 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.517 0.861 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.384 2.027 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.800 0.433 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.225 -1.139 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.536 -1.645 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.610 -1.433 1.722 1.00 0.00 H new ATOM 928 N GLN A 65 -4.513 -1.131 4.137 1.00 0.00 N ATOM 929 CA GLN A 65 -4.908 -2.451 4.614 1.00 0.00 C ATOM 930 C GLN A 65 -6.063 -3.005 3.787 1.00 0.00 C ATOM 931 O GLN A 65 -7.096 -2.354 3.632 1.00 0.00 O ATOM 932 CB GLN A 65 -5.306 -2.386 6.089 1.00 0.00 C ATOM 933 CG GLN A 65 -5.818 -3.707 6.640 1.00 0.00 C ATOM 934 CD GLN A 65 -6.143 -3.635 8.119 1.00 0.00 C ATOM 935 OE1 GLN A 65 -5.484 -2.924 8.878 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.165 -4.373 8.537 1.00 0.00 N ATOM 0 H GLN A 65 -5.260 -0.436 4.151 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.054 -3.119 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.444 -2.067 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.077 -1.626 6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.711 -4.004 6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.068 -4.481 6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.684 -4.948 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.431 -4.365 9.522 1.00 0.00 H new ATOM 945 N ILE A 66 -5.881 -4.211 3.258 1.00 0.00 N ATOM 946 CA ILE A 66 -6.909 -4.852 2.448 1.00 0.00 C ATOM 947 C ILE A 66 -7.313 -6.199 3.038 1.00 0.00 C ATOM 948 O ILE A 66 -6.470 -7.065 3.273 1.00 0.00 O ATOM 949 CB ILE A 66 -6.434 -5.061 0.998 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.682 -3.824 0.501 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.617 -5.369 0.092 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.850 -4.079 -0.736 1.00 0.00 C ATOM 0 H ILE A 66 -5.031 -4.763 3.376 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.771 -4.185 2.447 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.752 -5.911 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.401 -3.033 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.033 -3.459 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.265 -5.514 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.113 -6.276 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.322 -4.538 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.346 -3.159 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.107 -4.848 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.497 -4.414 -1.547 1.00 0.00 H new ATOM 964 N LYS A 67 -8.609 -6.370 3.274 1.00 0.00 N ATOM 965 CA LYS A 67 -9.128 -7.612 3.834 1.00 0.00 C ATOM 966 C LYS A 67 -9.841 -8.435 2.765 1.00 0.00 C ATOM 967 O LYS A 67 -10.256 -7.905 1.735 1.00 0.00 O ATOM 968 CB LYS A 67 -10.088 -7.315 4.988 1.00 0.00 C ATOM 969 CG LYS A 67 -9.459 -6.506 6.109 1.00 0.00 C ATOM 970 CD LYS A 67 -10.503 -5.721 6.885 1.00 0.00 C ATOM 971 CE LYS A 67 -11.079 -6.541 8.030 1.00 0.00 C ATOM 972 NZ LYS A 67 -12.191 -7.422 7.577 1.00 0.00 N ATOM 0 H LYS A 67 -9.320 -5.663 3.086 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.285 -8.190 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.952 -6.774 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.457 -8.257 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.927 -7.174 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.721 -5.820 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.055 -4.808 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.306 -5.418 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.291 -7.150 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.441 -5.871 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.750 -7.726 8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.802 -6.899 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.799 -8.257 7.097 1.00 0.00 H new ATOM 986 N ASN A 68 -9.981 -9.732 3.019 1.00 0.00 N ATOM 987 CA ASN A 68 -10.646 -10.627 2.078 1.00 0.00 C ATOM 988 C ASN A 68 -9.934 -10.623 0.728 1.00 0.00 C ATOM 989 O ASN A 68 -10.574 -10.570 -0.323 1.00 0.00 O ATOM 990 CB ASN A 68 -12.109 -10.216 1.897 1.00 0.00 C ATOM 991 CG ASN A 68 -13.015 -10.830 2.946 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.986 -11.514 2.621 1.00 0.00 O ATOM 993 ND2 ASN A 68 -12.702 -10.589 4.214 1.00 0.00 N ATOM 0 H ASN A 68 -9.643 -10.187 3.867 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.608 -11.637 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.187 -9.130 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.448 -10.517 0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.275 -10.976 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.888 -10.017 4.438 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.608 -10.679 0.765 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.808 -10.683 -0.455 1.00 0.00 C ATOM 1002 C LEU A 69 -8.327 -11.723 -1.443 1.00 0.00 C ATOM 1003 O LEU A 69 -9.066 -12.634 -1.070 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.341 -10.963 -0.126 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.708 -10.062 0.936 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.555 -10.777 1.623 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.233 -8.757 0.314 1.00 0.00 C ATOM 0 H LEU A 69 -8.063 -10.722 1.626 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.889 -9.699 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.255 -11.998 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.760 -10.873 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.464 -9.830 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.117 -10.121 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.923 -11.684 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.797 -11.039 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.786 -8.129 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.492 -8.970 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.081 -8.237 -0.132 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.933 -11.582 -2.704 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.357 -12.509 -3.746 1.00 0.00 C ATOM 1021 C ARG A 70 -7.294 -12.629 -4.834 1.00 0.00 C ATOM 1022 O ARG A 70 -6.633 -11.649 -5.179 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.681 -12.050 -4.360 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.759 -11.754 -3.330 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.098 -11.471 -3.992 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.559 -12.599 -4.798 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.204 -12.792 -6.063 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -11.387 -11.937 -6.663 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -12.665 -13.842 -6.730 1.00 0.00 N ATOM 0 H ARG A 70 -7.320 -10.834 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.497 -13.489 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.504 -11.155 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.043 -12.820 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.859 -12.602 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.462 -10.896 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.840 -11.245 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.011 -10.586 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.188 -13.275 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.030 -11.129 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.116 -12.087 -7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.293 -14.502 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.392 -13.989 -7.702 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.135 -13.834 -5.369 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.153 -14.081 -6.418 1.00 0.00 C ATOM 1045 C ILE A 71 -6.116 -12.930 -7.418 1.00 0.00 C ATOM 1046 O ILE A 71 -5.094 -12.683 -8.057 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.450 -15.391 -7.171 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.377 -16.583 -6.214 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.476 -15.571 -8.325 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -4.973 -16.898 -5.748 1.00 0.00 C ATOM 0 H ILE A 71 -7.674 -14.655 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.183 -14.166 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.460 -15.338 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.003 -16.380 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.793 -17.461 -6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.699 -16.501 -8.847 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.573 -14.734 -9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.457 -15.607 -7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.997 -17.753 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.348 -17.133 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.561 -16.035 -5.225 1.00 0.00 H new ATOM 1062 N SER A 72 -7.237 -12.228 -7.545 1.00 0.00 N ATOM 1063 CA SER A 72 -7.334 -11.104 -8.469 1.00 0.00 C ATOM 1064 C SER A 72 -6.610 -9.881 -7.913 1.00 0.00 C ATOM 1065 O SER A 72 -5.875 -9.202 -8.630 1.00 0.00 O ATOM 1066 CB SER A 72 -8.801 -10.763 -8.739 1.00 0.00 C ATOM 1067 OG SER A 72 -9.361 -10.031 -7.663 1.00 0.00 O ATOM 0 H SER A 72 -8.091 -12.417 -7.020 1.00 0.00 H new ATOM 0 HA SER A 72 -6.858 -11.393 -9.406 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.879 -10.182 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.369 -11.681 -8.893 1.00 0.00 H new ATOM 0 HG SER A 72 -10.298 -9.824 -7.861 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.826 -9.605 -6.632 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.194 -8.465 -5.978 1.00 0.00 C ATOM 1075 C ASP A 73 -4.737 -8.329 -6.410 1.00 0.00 C ATOM 1076 O ASP A 73 -4.219 -7.220 -6.547 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.276 -8.611 -4.458 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.625 -8.191 -3.908 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.436 -7.639 -4.682 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.871 -8.415 -2.705 1.00 0.00 O ATOM 0 H ASP A 73 -7.434 -10.155 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.729 -7.564 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.082 -9.648 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.495 -8.008 -3.995 1.00 0.00 H new ATOM 1085 N THR A 74 -4.080 -9.465 -6.623 1.00 0.00 N ATOM 1086 CA THR A 74 -2.683 -9.473 -7.038 1.00 0.00 C ATOM 1087 C THR A 74 -2.400 -8.362 -8.043 1.00 0.00 C ATOM 1088 O THR A 74 -2.966 -8.342 -9.135 1.00 0.00 O ATOM 1089 CB THR A 74 -2.290 -10.826 -7.661 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.505 -11.881 -6.718 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.832 -10.818 -8.097 1.00 0.00 C ATOM 0 H THR A 74 -4.493 -10.391 -6.515 1.00 0.00 H new ATOM 0 HA THR A 74 -2.087 -9.307 -6.141 1.00 0.00 H new ATOM 0 HB THR A 74 -2.915 -10.991 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.342 -12.344 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.578 -11.784 -8.534 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.678 -10.033 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.195 -10.632 -7.233 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.521 -7.439 -7.666 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.179 -6.337 -8.546 1.00 0.00 C ATOM 1101 C GLY A 75 0.032 -5.564 -8.064 1.00 0.00 C ATOM 1102 O GLY A 75 0.790 -6.045 -7.220 1.00 0.00 O ATOM 0 H GLY A 75 -1.040 -7.435 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.985 -6.722 -9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.030 -5.661 -8.624 1.00 0.00 H new ATOM 1106 N THR A 76 0.218 -4.362 -8.600 1.00 0.00 N ATOM 1107 CA THR A 76 1.347 -3.522 -8.222 1.00 0.00 C ATOM 1108 C THR A 76 0.874 -2.178 -7.678 1.00 0.00 C ATOM 1109 O THR A 76 0.413 -1.320 -8.431 1.00 0.00 O ATOM 1110 CB THR A 76 2.290 -3.277 -9.415 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.937 -4.499 -9.787 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.336 -2.227 -9.071 1.00 0.00 C ATOM 0 H THR A 76 -0.400 -3.948 -9.298 1.00 0.00 H new ATOM 0 HA THR A 76 1.891 -4.056 -7.443 1.00 0.00 H new ATOM 0 HB THR A 76 1.694 -2.913 -10.252 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.533 -4.335 -10.547 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.990 -2.071 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.841 -1.290 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.927 -2.567 -8.221 1.00 0.00 H new ATOM 1120 N TYR A 77 0.993 -2.002 -6.367 1.00 0.00 N ATOM 1121 CA TYR A 77 0.576 -0.762 -5.722 1.00 0.00 C ATOM 1122 C TYR A 77 1.694 0.276 -5.762 1.00 0.00 C ATOM 1123 O TYR A 77 2.863 -0.044 -5.543 1.00 0.00 O ATOM 1124 CB TYR A 77 0.165 -1.030 -4.273 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.841 -2.149 -4.126 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -2.157 -1.985 -4.541 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.476 -3.369 -3.570 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -3.080 -3.004 -4.408 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.392 -4.394 -3.434 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.692 -4.207 -3.854 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.608 -5.225 -3.719 1.00 0.00 O ATOM 0 H TYR A 77 1.374 -2.701 -5.730 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.281 -0.368 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.054 -1.273 -3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.254 -0.118 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.463 -1.045 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.541 -3.518 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.099 -2.860 -4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.092 -5.337 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.502 -4.845 -3.591 1.00 0.00 H new ATOM 1141 N THR A 78 1.326 1.522 -6.044 1.00 0.00 N ATOM 1142 CA THR A 78 2.295 2.608 -6.114 1.00 0.00 C ATOM 1143 C THR A 78 1.999 3.677 -5.069 1.00 0.00 C ATOM 1144 O THR A 78 1.145 4.540 -5.273 1.00 0.00 O ATOM 1145 CB THR A 78 2.308 3.260 -7.509 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.650 2.286 -8.502 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.301 4.412 -7.559 1.00 0.00 C ATOM 0 H THR A 78 0.363 1.804 -6.228 1.00 0.00 H new ATOM 0 HA THR A 78 3.274 2.171 -5.916 1.00 0.00 H new ATOM 0 HB THR A 78 1.311 3.651 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.654 2.708 -9.386 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.292 4.857 -8.554 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.022 5.165 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.301 4.040 -7.336 1.00 0.00 H new ATOM 1155 N CYS A 79 2.711 3.616 -3.948 1.00 0.00 N ATOM 1156 CA CYS A 79 2.525 4.579 -2.870 1.00 0.00 C ATOM 1157 C CYS A 79 3.046 5.955 -3.274 1.00 0.00 C ATOM 1158 O CYS A 79 4.233 6.124 -3.554 1.00 0.00 O ATOM 1159 CB CYS A 79 3.240 4.103 -1.604 1.00 0.00 C ATOM 1160 SG CYS A 79 3.067 5.231 -0.184 1.00 0.00 S ATOM 0 H CYS A 79 3.422 2.909 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 79 1.457 4.659 -2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.850 3.124 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.300 3.974 -1.825 1.00 0.00 H new ATOM 1165 N VAL A 80 2.150 6.936 -3.303 1.00 0.00 N ATOM 1166 CA VAL A 80 2.518 8.298 -3.672 1.00 0.00 C ATOM 1167 C VAL A 80 2.280 9.264 -2.516 1.00 0.00 C ATOM 1168 O VAL A 80 1.187 9.316 -1.953 1.00 0.00 O ATOM 1169 CB VAL A 80 1.727 8.781 -4.901 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.267 10.114 -5.396 1.00 0.00 C ATOM 1171 CG2 VAL A 80 1.770 7.736 -6.006 1.00 0.00 C ATOM 0 H VAL A 80 1.163 6.813 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 80 3.580 8.283 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 80 0.687 8.925 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.695 10.438 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.179 10.859 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.315 10.002 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.206 8.094 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.805 7.558 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.330 6.806 -5.645 1.00 0.00 H new ATOM 1181 N ALA A 81 3.310 10.028 -2.169 1.00 0.00 N ATOM 1182 CA ALA A 81 3.212 10.994 -1.082 1.00 0.00 C ATOM 1183 C ALA A 81 3.277 12.423 -1.610 1.00 0.00 C ATOM 1184 O ALA A 81 4.355 13.008 -1.721 1.00 0.00 O ATOM 1185 CB ALA A 81 4.316 10.756 -0.062 1.00 0.00 C ATOM 0 H ALA A 81 4.222 9.997 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 81 2.247 10.858 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.230 11.485 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.223 9.750 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.287 10.862 -0.545 1.00 0.00 H new ATOM 1191 N THR A 82 2.115 12.981 -1.937 1.00 0.00 N ATOM 1192 CA THR A 82 2.040 14.341 -2.456 1.00 0.00 C ATOM 1193 C THR A 82 2.073 15.364 -1.325 1.00 0.00 C ATOM 1194 O THR A 82 1.422 15.186 -0.296 1.00 0.00 O ATOM 1195 CB THR A 82 0.762 14.555 -3.289 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.592 13.473 -4.211 1.00 0.00 O ATOM 1197 CG2 THR A 82 0.826 15.871 -4.050 1.00 0.00 C ATOM 0 H THR A 82 1.213 12.512 -1.851 1.00 0.00 H new ATOM 0 HA THR A 82 2.910 14.483 -3.097 1.00 0.00 H new ATOM 0 HB THR A 82 -0.088 14.589 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.223 13.615 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.087 16.000 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.926 16.695 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.685 15.862 -4.721 1.00 0.00 H new ATOM 1205 N SER A 83 2.833 16.435 -1.525 1.00 0.00 N ATOM 1206 CA SER A 83 2.953 17.485 -0.520 1.00 0.00 C ATOM 1207 C SER A 83 3.354 18.809 -1.163 1.00 0.00 C ATOM 1208 O SER A 83 4.034 18.833 -2.189 1.00 0.00 O ATOM 1209 CB SER A 83 3.980 17.089 0.542 1.00 0.00 C ATOM 1210 OG SER A 83 5.295 17.112 0.014 1.00 0.00 O ATOM 0 H SER A 83 3.375 16.599 -2.373 1.00 0.00 H new ATOM 0 HA SER A 83 1.980 17.612 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.913 17.771 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.753 16.091 0.918 1.00 0.00 H new ATOM 0 HG SER A 83 5.933 16.857 0.713 1.00 0.00 H new ATOM 1216 N SER A 84 2.927 19.910 -0.552 1.00 0.00 N ATOM 1217 CA SER A 84 3.238 21.239 -1.066 1.00 0.00 C ATOM 1218 C SER A 84 4.729 21.373 -1.359 1.00 0.00 C ATOM 1219 O SER A 84 5.139 22.178 -2.196 1.00 0.00 O ATOM 1220 CB SER A 84 2.806 22.311 -0.064 1.00 0.00 C ATOM 1221 OG SER A 84 2.730 23.584 -0.680 1.00 0.00 O ATOM 0 H SER A 84 2.365 19.908 0.299 1.00 0.00 H new ATOM 0 HA SER A 84 2.688 21.379 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.836 22.049 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.514 22.346 0.764 1.00 0.00 H new ATOM 0 HG SER A 84 2.450 24.251 -0.019 1.00 0.00 H new ATOM 1227 N SER A 85 5.537 20.578 -0.664 1.00 0.00 N ATOM 1228 CA SER A 85 6.983 20.609 -0.846 1.00 0.00 C ATOM 1229 C SER A 85 7.386 19.875 -2.121 1.00 0.00 C ATOM 1230 O SER A 85 8.079 20.426 -2.975 1.00 0.00 O ATOM 1231 CB SER A 85 7.684 19.982 0.361 1.00 0.00 C ATOM 1232 OG SER A 85 7.899 20.941 1.382 1.00 0.00 O ATOM 0 H SER A 85 5.214 19.904 0.031 1.00 0.00 H new ATOM 0 HA SER A 85 7.291 21.651 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.081 19.162 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.638 19.557 0.051 1.00 0.00 H new ATOM 0 HG SER A 85 7.372 20.701 2.172 1.00 0.00 H new ATOM 1238 N GLY A 86 6.946 18.626 -2.242 1.00 0.00 N ATOM 1239 CA GLY A 86 7.271 17.836 -3.415 1.00 0.00 C ATOM 1240 C GLY A 86 6.344 16.649 -3.589 1.00 0.00 C ATOM 1241 O GLY A 86 5.180 16.700 -3.191 1.00 0.00 O ATOM 0 H GLY A 86 6.371 18.148 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.217 18.468 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.299 17.482 -3.338 1.00 0.00 H new ATOM 1245 N GLU A 87 6.860 15.580 -4.187 1.00 0.00 N ATOM 1246 CA GLU A 87 6.068 14.377 -4.415 1.00 0.00 C ATOM 1247 C GLU A 87 6.952 13.224 -4.882 1.00 0.00 C ATOM 1248 O GLU A 87 7.892 13.420 -5.653 1.00 0.00 O ATOM 1249 CB GLU A 87 4.974 14.648 -5.451 1.00 0.00 C ATOM 1250 CG GLU A 87 4.239 13.397 -5.901 1.00 0.00 C ATOM 1251 CD GLU A 87 3.622 13.547 -7.278 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.492 14.069 -7.369 1.00 0.00 O ATOM 1253 OE2 GLU A 87 4.271 13.141 -8.265 1.00 0.00 O ATOM 0 H GLU A 87 7.822 15.522 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 87 5.602 14.095 -3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.254 15.351 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.420 15.130 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.932 12.555 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.456 13.161 -5.180 1.00 0.00 H new ATOM 1260 N THR A 88 6.643 12.020 -4.410 1.00 0.00 N ATOM 1261 CA THR A 88 7.409 10.836 -4.777 1.00 0.00 C ATOM 1262 C THR A 88 6.491 9.650 -5.049 1.00 0.00 C ATOM 1263 O THR A 88 5.268 9.778 -5.009 1.00 0.00 O ATOM 1264 CB THR A 88 8.412 10.451 -3.672 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.142 9.282 -4.060 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.695 10.195 -2.356 1.00 0.00 C ATOM 0 H THR A 88 5.867 11.840 -3.773 1.00 0.00 H new ATOM 0 HA THR A 88 7.958 11.084 -5.686 1.00 0.00 H new ATOM 0 HB THR A 88 9.104 11.282 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.779 9.044 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.423 9.925 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.164 11.096 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.983 9.380 -2.482 1.00 0.00 H new ATOM 1274 N SER A 89 7.090 8.496 -5.325 1.00 0.00 N ATOM 1275 CA SER A 89 6.325 7.286 -5.607 1.00 0.00 C ATOM 1276 C SER A 89 7.140 6.039 -5.279 1.00 0.00 C ATOM 1277 O SER A 89 8.367 6.089 -5.201 1.00 0.00 O ATOM 1278 CB SER A 89 5.899 7.259 -7.076 1.00 0.00 C ATOM 1279 OG SER A 89 6.987 6.916 -7.917 1.00 0.00 O ATOM 0 H SER A 89 8.102 8.373 -5.359 1.00 0.00 H new ATOM 0 HA SER A 89 5.435 7.293 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.091 6.540 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.508 8.235 -7.362 1.00 0.00 H new ATOM 0 HG SER A 89 6.688 6.904 -8.850 1.00 0.00 H new ATOM 1285 N TRP A 90 6.447 4.922 -5.086 1.00 0.00 N ATOM 1286 CA TRP A 90 7.106 3.661 -4.766 1.00 0.00 C ATOM 1287 C TRP A 90 6.503 2.513 -5.567 1.00 0.00 C ATOM 1288 O TRP A 90 5.493 2.684 -6.251 1.00 0.00 O ATOM 1289 CB TRP A 90 6.993 3.369 -3.268 1.00 0.00 C ATOM 1290 CG TRP A 90 8.143 2.573 -2.730 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.245 1.212 -2.678 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.352 3.090 -2.165 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.445 0.852 -2.115 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.143 1.985 -1.792 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.845 4.378 -1.939 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.398 2.132 -1.207 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.091 4.522 -1.357 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.856 3.405 -0.997 1.00 0.00 C ATOM 0 H TRP A 90 5.430 4.864 -5.145 1.00 0.00 H new ATOM 0 HA TRP A 90 8.159 3.752 -5.033 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.928 4.312 -2.725 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.066 2.828 -3.079 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.493 0.521 -3.028 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.765 -0.105 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.263 5.245 -2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.989 1.272 -0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.481 5.513 -1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.826 3.551 -0.545 1.00 0.00 H new ATOM 1309 N SER A 91 7.127 1.343 -5.479 1.00 0.00 N ATOM 1310 CA SER A 91 6.653 0.167 -6.199 1.00 0.00 C ATOM 1311 C SER A 91 6.619 -1.054 -5.285 1.00 0.00 C ATOM 1312 O SER A 91 7.490 -1.229 -4.433 1.00 0.00 O ATOM 1313 CB SER A 91 7.548 -0.112 -7.408 1.00 0.00 C ATOM 1314 OG SER A 91 6.956 -1.067 -8.271 1.00 0.00 O ATOM 0 H SER A 91 7.962 1.184 -4.916 1.00 0.00 H new ATOM 0 HA SER A 91 5.639 0.368 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.727 0.815 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.519 -0.475 -7.070 1.00 0.00 H new ATOM 0 HG SER A 91 7.547 -1.227 -9.037 1.00 0.00 H new ATOM 1320 N ALA A 92 5.606 -1.894 -5.467 1.00 0.00 N ATOM 1321 CA ALA A 92 5.458 -3.100 -4.661 1.00 0.00 C ATOM 1322 C ALA A 92 4.464 -4.066 -5.295 1.00 0.00 C ATOM 1323 O ALA A 92 3.492 -3.648 -5.925 1.00 0.00 O ATOM 1324 CB ALA A 92 5.020 -2.740 -3.249 1.00 0.00 C ATOM 0 H ALA A 92 4.875 -1.762 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 92 6.427 -3.597 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.913 -3.650 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.768 -2.094 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.064 -2.218 -3.287 1.00 0.00 H new ATOM 1330 N VAL A 93 4.714 -5.361 -5.126 1.00 0.00 N ATOM 1331 CA VAL A 93 3.840 -6.387 -5.682 1.00 0.00 C ATOM 1332 C VAL A 93 3.295 -7.297 -4.587 1.00 0.00 C ATOM 1333 O VAL A 93 4.049 -7.806 -3.756 1.00 0.00 O ATOM 1334 CB VAL A 93 4.576 -7.245 -6.729 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.746 -8.464 -7.099 1.00 0.00 C ATOM 1336 CG2 VAL A 93 4.902 -6.416 -7.962 1.00 0.00 C ATOM 0 H VAL A 93 5.515 -5.724 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 93 3.012 -5.869 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 93 5.514 -7.593 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.282 -9.058 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.569 -9.068 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.791 -8.142 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.422 -7.037 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.979 -6.037 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.540 -5.578 -7.679 1.00 0.00 H new ATOM 1346 N LEU A 94 1.983 -7.499 -4.592 1.00 0.00 N ATOM 1347 CA LEU A 94 1.336 -8.350 -3.599 1.00 0.00 C ATOM 1348 C LEU A 94 0.920 -9.683 -4.212 1.00 0.00 C ATOM 1349 O LEU A 94 -0.208 -9.837 -4.682 1.00 0.00 O ATOM 1350 CB LEU A 94 0.113 -7.642 -3.011 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.809 -8.502 -2.146 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.106 -8.912 -0.861 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -2.099 -7.756 -1.837 1.00 0.00 C ATOM 0 H LEU A 94 1.346 -7.085 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 94 2.053 -8.546 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.459 -6.800 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.473 -7.230 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.060 -9.405 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.777 -9.523 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.789 -9.486 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.175 -8.021 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.743 -8.383 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.868 -6.836 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.611 -7.514 -2.768 1.00 0.00 H new ATOM 1365 N ASP A 95 1.836 -10.645 -4.201 1.00 0.00 N ATOM 1366 CA ASP A 95 1.564 -11.967 -4.753 1.00 0.00 C ATOM 1367 C ASP A 95 0.633 -12.756 -3.838 1.00 0.00 C ATOM 1368 O ASP A 95 1.010 -13.137 -2.730 1.00 0.00 O ATOM 1369 CB ASP A 95 2.870 -12.736 -4.959 1.00 0.00 C ATOM 1370 CG ASP A 95 3.521 -12.425 -6.292 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.115 -13.031 -7.306 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.438 -11.577 -6.322 1.00 0.00 O ATOM 0 H ASP A 95 2.774 -10.534 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 95 1.073 -11.837 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.563 -12.492 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.672 -13.806 -4.896 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.586 -12.998 -4.310 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.572 -13.742 -3.534 1.00 0.00 C ATOM 1379 C VAL A 96 -1.710 -15.171 -4.048 1.00 0.00 C ATOM 1380 O VAL A 96 -1.953 -15.396 -5.234 1.00 0.00 O ATOM 1381 CB VAL A 96 -2.951 -13.057 -3.576 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -3.924 -13.759 -2.639 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.825 -11.584 -3.220 1.00 0.00 C ATOM 0 H VAL A 96 -0.914 -12.690 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.216 -13.762 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.343 -13.130 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.893 -13.262 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.036 -14.799 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.540 -13.719 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.809 -11.116 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.412 -11.486 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.164 -11.092 -3.934 1.00 0.00 H new ATOM 1393 N THR A 97 -1.554 -16.135 -3.146 1.00 0.00 N ATOM 1394 CA THR A 97 -1.661 -17.543 -3.507 1.00 0.00 C ATOM 1395 C THR A 97 -2.702 -18.253 -2.650 1.00 0.00 C ATOM 1396 O THR A 97 -3.161 -17.716 -1.642 1.00 0.00 O ATOM 1397 CB THR A 97 -0.309 -18.266 -3.356 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.106 -18.247 -1.985 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.755 -17.609 -4.222 1.00 0.00 C ATOM 0 H THR A 97 -1.353 -15.966 -2.160 1.00 0.00 H new ATOM 0 HA THR A 97 -1.969 -17.578 -4.552 1.00 0.00 H new ATOM 0 HB THR A 97 -0.435 -19.298 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.645 -17.446 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.701 -18.136 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.450 -17.650 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.878 -16.569 -3.921 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.071 -19.464 -3.056 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.060 -20.247 -2.324 1.00 0.00 C ATOM 1409 C GLU A 98 -3.417 -20.963 -1.140 1.00 0.00 C ATOM 1410 O GLU A 98 -4.032 -21.115 -0.084 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.725 -21.266 -3.251 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.364 -20.644 -4.481 1.00 0.00 C ATOM 1413 CD GLU A 98 -5.654 -21.662 -5.566 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -6.157 -22.756 -5.233 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -5.379 -21.367 -6.748 1.00 0.00 O ATOM 0 H GLU A 98 -2.700 -19.924 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.819 -19.563 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.980 -21.996 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.486 -21.810 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.293 -20.151 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.704 -19.873 -4.878 1.00 0.00 H new ATOM 1422 N SER A 99 -2.176 -21.403 -1.324 1.00 0.00 N ATOM 1423 CA SER A 99 -1.451 -22.108 -0.273 1.00 0.00 C ATOM 1424 C SER A 99 -0.129 -21.411 0.035 1.00 0.00 C ATOM 1425 O SER A 99 0.902 -22.060 0.206 1.00 0.00 O ATOM 1426 CB SER A 99 -1.192 -23.557 -0.687 1.00 0.00 C ATOM 1427 OG SER A 99 -2.406 -24.232 -0.968 1.00 0.00 O ATOM 0 H SER A 99 -1.652 -21.284 -2.191 1.00 0.00 H new ATOM 0 HA SER A 99 -2.065 -22.099 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.549 -23.578 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.659 -24.076 0.110 1.00 0.00 H new ATOM 0 HG SER A 99 -2.213 -25.156 -1.232 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.169 -20.084 0.105 1.00 0.00 N ATOM 1434 CA GLY A 100 1.031 -19.320 0.393 1.00 0.00 C ATOM 1435 C GLY A 100 2.064 -19.425 -0.711 1.00 0.00 C ATOM 1436 O GLY A 100 3.197 -19.842 -0.473 1.00 0.00 O ATOM 0 H GLY A 100 -1.011 -19.524 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.765 -18.273 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.466 -19.672 1.328 1.00 0.00 H new