USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 811 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 95 SER OG : rot -140:sc= 1.95 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.969 K(o=2.9,f=-0.81) USER MOD Set 2.1: A 32 CYS SG : rot 174:sc= 0.853 USER MOD Set 2.2: A 35 CYS SG : rot 71:sc= -0.354 USER MOD Set 3.1: A 8 THR OG1 : rot -39:sc= 1.25 USER MOD Set 3.2: A 11 SER OG : rot 103:sc= 2.38 USER MOD Single : A 6 HIS : no HD1:sc=-0.00488 X(o=-0.0049,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= 0.322 (180deg=-0.0404) USER MOD Single : A 37 MET CE :methyl -173:sc= 0 (180deg=-0.092) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.000531 USER MOD Single : A 50 GLN : amide:sc= 1.13 K(o=1.1,f=-0.034) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0.485 (180deg=0.482) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.922 (180deg=0.843) USER MOD Single : A 59 ASN : amide:sc= 1.3 K(o=1.3,f=-9.4!) USER MOD Single : A 62 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.023) USER MOD Single : A 63 ASN : amide:sc= 1.45 K(o=1.4,f=-4.9!) USER MOD Single : A 66 THR OG1 : rot -41:sc= 1.22 USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0.391 (180deg=0.322) USER MOD Single : A 70 TYR OH : rot -157:sc= 0.181 USER MOD Single : A 77 THR OG1 : rot 128:sc= 1.23 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= 1.24 (180deg=0.985) USER MOD Single : A 83 ASN : amide:sc= 1.11 K(o=1.1,f=-0.52) USER MOD Single : A 89 THR OG1 : rot 36:sc= 1.27 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0.968 (180deg=0.968) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.08) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0.8 (180deg=0.792) USER MOD Single : A 106 ASN : amide:sc= 0.384 K(o=0.38,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.389 -3.137 -9.574 1.00 0.00 N ATOM 47 CA ILE A 4 -7.947 -3.078 -9.447 1.00 0.00 C ATOM 48 C ILE A 4 -7.327 -4.272 -10.163 1.00 0.00 C ATOM 49 O ILE A 4 -7.918 -5.349 -10.207 1.00 0.00 O ATOM 50 CB ILE A 4 -7.610 -3.046 -7.943 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.124 -1.728 -7.327 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.112 -3.231 -7.688 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.719 -1.522 -5.866 1.00 0.00 C ATOM 0 HA ILE A 4 -7.535 -2.183 -9.913 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.112 -3.885 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.749 -0.893 -7.918 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.211 -1.706 -7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.919 -3.202 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.791 -4.193 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.558 -2.430 -8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.119 -0.573 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.117 -2.336 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.632 -1.510 -5.788 1.00 0.00 H new ATOM 65 N ILE A 5 -6.126 -4.086 -10.714 1.00 0.00 N ATOM 66 CA ILE A 5 -5.404 -5.150 -11.397 1.00 0.00 C ATOM 67 C ILE A 5 -4.585 -5.927 -10.358 1.00 0.00 C ATOM 68 O ILE A 5 -3.579 -5.422 -9.864 1.00 0.00 O ATOM 69 CB ILE A 5 -4.518 -4.563 -12.513 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.279 -3.611 -13.457 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.846 -5.691 -13.311 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.523 -4.219 -14.114 1.00 0.00 C ATOM 0 H ILE A 5 -5.631 -3.194 -10.697 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.100 -5.838 -11.877 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.755 -3.961 -12.020 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.578 -2.726 -12.895 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.598 -3.277 -14.240 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.224 -5.261 -14.096 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.226 -6.290 -12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.611 -6.324 -13.761 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.993 -3.477 -14.760 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.234 -5.086 -14.708 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.228 -4.527 -13.342 1.00 0.00 H new ATOM 84 N HIS A 6 -5.000 -7.149 -10.012 1.00 0.00 N ATOM 85 CA HIS A 6 -4.268 -7.981 -9.063 1.00 0.00 C ATOM 86 C HIS A 6 -3.125 -8.686 -9.799 1.00 0.00 C ATOM 87 O HIS A 6 -3.358 -9.612 -10.572 1.00 0.00 O ATOM 88 CB HIS A 6 -5.206 -8.950 -8.336 1.00 0.00 C ATOM 89 CG HIS A 6 -5.970 -8.260 -7.229 1.00 0.00 C ATOM 90 ND1 HIS A 6 -5.755 -8.416 -5.873 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.897 -7.271 -7.397 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.554 -7.546 -5.228 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.257 -6.841 -6.136 1.00 0.00 N ATOM 0 H HIS A 6 -5.846 -7.583 -10.380 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.831 -7.359 -8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.908 -9.381 -9.049 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.627 -9.775 -7.920 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.276 -6.897 -8.337 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.621 -7.431 -4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.940 -6.113 -5.927 1.00 0.00 H new ATOM 102 N LEU A 7 -1.895 -8.221 -9.574 1.00 0.00 N ATOM 103 CA LEU A 7 -0.677 -8.695 -10.208 1.00 0.00 C ATOM 104 C LEU A 7 -0.048 -9.860 -9.448 1.00 0.00 C ATOM 105 O LEU A 7 -0.350 -10.095 -8.278 1.00 0.00 O ATOM 106 CB LEU A 7 0.344 -7.551 -10.182 1.00 0.00 C ATOM 107 CG LEU A 7 -0.132 -6.244 -10.825 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.882 -5.153 -10.485 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.237 -6.385 -12.339 1.00 0.00 C ATOM 0 H LEU A 7 -1.719 -7.466 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.931 -9.023 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.616 -7.351 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.249 -7.880 -10.692 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.121 -5.991 -10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.566 -4.210 -10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.944 -5.039 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.860 -5.430 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.577 -5.443 -12.769 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.740 -6.640 -12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.950 -7.173 -12.582 1.00 0.00 H new ATOM 121 N THR A 8 0.901 -10.531 -10.107 1.00 0.00 N ATOM 122 CA THR A 8 1.737 -11.568 -9.534 1.00 0.00 C ATOM 123 C THR A 8 3.155 -11.315 -10.044 1.00 0.00 C ATOM 124 O THR A 8 3.335 -10.563 -11.000 1.00 0.00 O ATOM 125 CB THR A 8 1.250 -12.957 -9.954 1.00 0.00 C ATOM 126 OG1 THR A 8 1.444 -13.123 -11.350 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.220 -13.198 -9.600 1.00 0.00 C ATOM 0 H THR A 8 1.109 -10.354 -11.090 1.00 0.00 H new ATOM 0 HA THR A 8 1.701 -11.539 -8.445 1.00 0.00 H new ATOM 0 HB THR A 8 1.836 -13.691 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.234 -12.284 -11.811 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.512 -14.198 -9.920 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.354 -13.109 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.842 -12.459 -10.105 1.00 0.00 H new ATOM 135 N ASP A 9 4.165 -11.947 -9.443 1.00 0.00 N ATOM 136 CA ASP A 9 5.551 -11.795 -9.860 1.00 0.00 C ATOM 137 C ASP A 9 5.710 -12.220 -11.318 1.00 0.00 C ATOM 138 O ASP A 9 6.324 -11.518 -12.115 1.00 0.00 O ATOM 139 CB ASP A 9 6.461 -12.628 -8.953 1.00 0.00 C ATOM 140 CG ASP A 9 7.927 -12.362 -9.278 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.406 -11.282 -8.870 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.535 -13.231 -9.937 1.00 0.00 O ATOM 0 H ASP A 9 4.039 -12.579 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 9 5.838 -10.747 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.264 -12.385 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.240 -13.688 -9.081 1.00 0.00 H new ATOM 147 N ASP A 10 5.130 -13.375 -11.649 1.00 0.00 N ATOM 148 CA ASP A 10 5.165 -13.935 -12.990 1.00 0.00 C ATOM 149 C ASP A 10 4.516 -12.990 -13.998 1.00 0.00 C ATOM 150 O ASP A 10 5.054 -12.773 -15.082 1.00 0.00 O ATOM 151 CB ASP A 10 4.455 -15.292 -12.990 1.00 0.00 C ATOM 152 CG ASP A 10 4.382 -15.878 -14.397 1.00 0.00 C ATOM 153 OD1 ASP A 10 5.391 -16.490 -14.812 1.00 0.00 O ATOM 154 OD2 ASP A 10 3.319 -15.702 -15.030 1.00 0.00 O ATOM 0 H ASP A 10 4.618 -13.951 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 10 6.205 -14.070 -13.289 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.984 -15.982 -12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.448 -15.178 -12.588 1.00 0.00 H new ATOM 159 N SER A 11 3.350 -12.437 -13.655 1.00 0.00 N ATOM 160 CA SER A 11 2.615 -11.589 -14.582 1.00 0.00 C ATOM 161 C SER A 11 3.189 -10.168 -14.644 1.00 0.00 C ATOM 162 O SER A 11 2.998 -9.467 -15.640 1.00 0.00 O ATOM 163 CB SER A 11 1.127 -11.630 -14.214 1.00 0.00 C ATOM 164 OG SER A 11 0.866 -10.968 -12.987 1.00 0.00 O ATOM 0 H SER A 11 2.901 -12.563 -12.748 1.00 0.00 H new ATOM 0 HA SER A 11 2.726 -11.973 -15.596 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.544 -11.165 -15.009 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.799 -12.667 -14.144 1.00 0.00 H new ATOM 0 HG SER A 11 0.473 -10.089 -13.167 1.00 0.00 H new ATOM 170 N PHE A 12 3.875 -9.741 -13.578 1.00 0.00 N ATOM 171 CA PHE A 12 4.474 -8.424 -13.396 1.00 0.00 C ATOM 172 C PHE A 12 5.088 -7.831 -14.662 1.00 0.00 C ATOM 173 O PHE A 12 4.777 -6.699 -15.023 1.00 0.00 O ATOM 174 CB PHE A 12 5.544 -8.481 -12.298 1.00 0.00 C ATOM 175 CG PHE A 12 5.906 -7.115 -11.763 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.131 -6.565 -10.732 1.00 0.00 C ATOM 177 CD2 PHE A 12 6.932 -6.356 -12.356 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.437 -5.295 -10.223 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.181 -5.051 -11.902 1.00 0.00 C ATOM 180 CZ PHE A 12 6.452 -4.530 -10.820 1.00 0.00 C ATOM 0 H PHE A 12 4.034 -10.347 -12.773 1.00 0.00 H new ATOM 0 HA PHE A 12 3.653 -7.766 -13.112 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.185 -9.104 -11.479 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.439 -8.960 -12.694 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.297 -7.121 -10.329 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.525 -6.775 -13.156 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.894 -4.906 -9.374 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.934 -4.447 -12.385 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.672 -3.541 -10.447 1.00 0.00 H new ATOM 190 N ASP A 13 5.986 -8.568 -15.319 1.00 0.00 N ATOM 191 CA ASP A 13 6.660 -8.069 -16.509 1.00 0.00 C ATOM 192 C ASP A 13 5.643 -7.581 -17.539 1.00 0.00 C ATOM 193 O ASP A 13 5.633 -6.414 -17.923 1.00 0.00 O ATOM 194 CB ASP A 13 7.575 -9.144 -17.101 1.00 0.00 C ATOM 195 CG ASP A 13 8.202 -8.659 -18.405 1.00 0.00 C ATOM 196 OD1 ASP A 13 9.127 -7.822 -18.313 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.733 -9.116 -19.470 1.00 0.00 O ATOM 0 H ASP A 13 6.260 -9.511 -15.044 1.00 0.00 H new ATOM 0 HA ASP A 13 7.281 -7.220 -16.224 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.359 -9.396 -16.386 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.004 -10.055 -17.283 1.00 0.00 H new ATOM 202 N THR A 14 4.781 -8.488 -17.984 1.00 0.00 N ATOM 203 CA THR A 14 3.776 -8.198 -18.981 1.00 0.00 C ATOM 204 C THR A 14 2.816 -7.106 -18.511 1.00 0.00 C ATOM 205 O THR A 14 2.469 -6.202 -19.266 1.00 0.00 O ATOM 206 CB THR A 14 3.028 -9.502 -19.299 1.00 0.00 C ATOM 207 OG1 THR A 14 3.949 -10.577 -19.288 1.00 0.00 O ATOM 208 CG2 THR A 14 2.343 -9.431 -20.666 1.00 0.00 C ATOM 0 H THR A 14 4.766 -9.453 -17.655 1.00 0.00 H new ATOM 0 HA THR A 14 4.255 -7.816 -19.883 1.00 0.00 H new ATOM 0 HB THR A 14 2.258 -9.653 -18.542 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.478 -11.413 -19.488 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.823 -10.369 -20.861 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.626 -8.610 -20.671 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.092 -9.264 -21.440 1.00 0.00 H new ATOM 216 N ASP A 15 2.356 -7.224 -17.267 1.00 0.00 N ATOM 217 CA ASP A 15 1.340 -6.344 -16.722 1.00 0.00 C ATOM 218 C ASP A 15 1.820 -4.925 -16.440 1.00 0.00 C ATOM 219 O ASP A 15 1.028 -3.994 -16.552 1.00 0.00 O ATOM 220 CB ASP A 15 0.794 -6.921 -15.413 1.00 0.00 C ATOM 221 CG ASP A 15 0.121 -8.283 -15.513 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.152 -8.733 -16.648 1.00 0.00 O ATOM 223 OD2 ASP A 15 -0.108 -8.859 -14.427 1.00 0.00 O ATOM 0 H ASP A 15 2.682 -7.935 -16.613 1.00 0.00 H new ATOM 0 HA ASP A 15 0.574 -6.283 -17.495 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.616 -6.996 -14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.077 -6.213 -14.998 1.00 0.00 H new ATOM 228 N VAL A 16 3.066 -4.767 -15.993 1.00 0.00 N ATOM 229 CA VAL A 16 3.614 -3.487 -15.570 1.00 0.00 C ATOM 230 C VAL A 16 4.710 -3.028 -16.522 1.00 0.00 C ATOM 231 O VAL A 16 4.606 -1.966 -17.133 1.00 0.00 O ATOM 232 CB VAL A 16 4.135 -3.594 -14.121 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.617 -2.231 -13.609 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.047 -4.112 -13.173 1.00 0.00 C ATOM 0 H VAL A 16 3.729 -5.538 -15.915 1.00 0.00 H new ATOM 0 HA VAL A 16 2.824 -2.736 -15.596 1.00 0.00 H new ATOM 0 HB VAL A 16 4.967 -4.298 -14.136 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.979 -2.334 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.425 -1.868 -14.245 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.790 -1.521 -13.632 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.446 -4.176 -12.161 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.198 -3.429 -13.186 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.722 -5.101 -13.498 1.00 0.00 H new ATOM 244 N LEU A 17 5.779 -3.815 -16.641 1.00 0.00 N ATOM 245 CA LEU A 17 6.931 -3.410 -17.433 1.00 0.00 C ATOM 246 C LEU A 17 6.578 -3.236 -18.908 1.00 0.00 C ATOM 247 O LEU A 17 7.111 -2.334 -19.549 1.00 0.00 O ATOM 248 CB LEU A 17 8.129 -4.341 -17.197 1.00 0.00 C ATOM 249 CG LEU A 17 8.505 -4.469 -15.707 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.734 -5.373 -15.562 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.810 -3.107 -15.067 1.00 0.00 C ATOM 0 H LEU A 17 5.868 -4.731 -16.200 1.00 0.00 H new ATOM 0 HA LEU A 17 7.242 -2.423 -17.089 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.898 -5.329 -17.595 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.989 -3.967 -17.753 1.00 0.00 H new ATOM 0 HG LEU A 17 7.647 -4.900 -15.191 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.998 -5.462 -14.508 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.509 -6.361 -15.964 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.571 -4.940 -16.110 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.070 -3.248 -14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.645 -2.639 -15.588 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.932 -2.466 -15.140 1.00 0.00 H new ATOM 263 N LYS A 18 5.676 -4.064 -19.447 1.00 0.00 N ATOM 264 CA LYS A 18 5.270 -3.945 -20.845 1.00 0.00 C ATOM 265 C LYS A 18 3.970 -3.141 -20.994 1.00 0.00 C ATOM 266 O LYS A 18 3.355 -3.182 -22.058 1.00 0.00 O ATOM 267 CB LYS A 18 5.188 -5.332 -21.495 1.00 0.00 C ATOM 268 CG LYS A 18 6.547 -6.044 -21.436 1.00 0.00 C ATOM 269 CD LYS A 18 6.538 -7.452 -22.048 1.00 0.00 C ATOM 270 CE LYS A 18 6.152 -7.451 -23.533 1.00 0.00 C ATOM 271 NZ LYS A 18 6.310 -8.792 -24.123 1.00 0.00 N ATOM 0 H LYS A 18 5.217 -4.819 -18.937 1.00 0.00 H new ATOM 0 HA LYS A 18 6.032 -3.379 -21.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.435 -5.933 -20.985 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.869 -5.234 -22.533 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.287 -5.437 -21.957 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.866 -6.112 -20.396 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.525 -7.899 -21.934 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.838 -8.079 -21.496 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.119 -7.121 -23.643 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.774 -6.737 -24.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.042 -8.763 -25.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.301 -9.094 -24.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.698 -9.466 -23.621 1.00 0.00 H new ATOM 285 N ALA A 19 3.548 -2.396 -19.963 1.00 0.00 N ATOM 286 CA ALA A 19 2.339 -1.587 -20.024 1.00 0.00 C ATOM 287 C ALA A 19 2.698 -0.118 -20.221 1.00 0.00 C ATOM 288 O ALA A 19 3.123 0.559 -19.286 1.00 0.00 O ATOM 289 CB ALA A 19 1.506 -1.782 -18.761 1.00 0.00 C ATOM 0 H ALA A 19 4.038 -2.342 -19.070 1.00 0.00 H new ATOM 0 HA ALA A 19 1.741 -1.909 -20.876 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.605 -1.171 -18.821 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.227 -2.831 -18.668 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.090 -1.483 -17.890 1.00 0.00 H new ATOM 295 N ASP A 20 2.518 0.384 -21.443 1.00 0.00 N ATOM 296 CA ASP A 20 2.807 1.765 -21.796 1.00 0.00 C ATOM 297 C ASP A 20 1.742 2.714 -21.224 1.00 0.00 C ATOM 298 O ASP A 20 0.998 3.339 -21.976 1.00 0.00 O ATOM 299 CB ASP A 20 2.928 1.884 -23.319 1.00 0.00 C ATOM 300 CG ASP A 20 4.075 1.044 -23.871 1.00 0.00 C ATOM 301 OD1 ASP A 20 5.219 1.552 -23.878 1.00 0.00 O ATOM 302 OD2 ASP A 20 3.786 -0.105 -24.271 1.00 0.00 O ATOM 0 H ASP A 20 2.162 -0.169 -22.223 1.00 0.00 H new ATOM 0 HA ASP A 20 3.757 2.062 -21.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.993 1.569 -23.782 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.082 2.929 -23.589 1.00 0.00 H new ATOM 307 N GLY A 21 1.654 2.817 -19.893 1.00 0.00 N ATOM 308 CA GLY A 21 0.690 3.672 -19.212 1.00 0.00 C ATOM 309 C GLY A 21 1.056 3.845 -17.738 1.00 0.00 C ATOM 310 O GLY A 21 2.038 3.267 -17.276 1.00 0.00 O ATOM 0 H GLY A 21 2.260 2.300 -19.256 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.656 4.647 -19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.307 3.239 -19.294 1.00 0.00 H new ATOM 314 N ALA A 22 0.282 4.655 -17.007 1.00 0.00 N ATOM 315 CA ALA A 22 0.475 4.951 -15.593 1.00 0.00 C ATOM 316 C ALA A 22 -0.196 3.889 -14.719 1.00 0.00 C ATOM 317 O ALA A 22 -1.420 3.898 -14.570 1.00 0.00 O ATOM 318 CB ALA A 22 -0.084 6.347 -15.295 1.00 0.00 C ATOM 0 H ALA A 22 -0.524 5.138 -17.404 1.00 0.00 H new ATOM 0 HA ALA A 22 1.540 4.936 -15.360 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.056 6.577 -14.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.441 7.086 -15.900 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.147 6.372 -15.534 1.00 0.00 H new ATOM 324 N ILE A 23 0.601 2.985 -14.143 1.00 0.00 N ATOM 325 CA ILE A 23 0.127 1.926 -13.267 1.00 0.00 C ATOM 326 C ILE A 23 0.567 2.194 -11.827 1.00 0.00 C ATOM 327 O ILE A 23 1.765 2.213 -11.540 1.00 0.00 O ATOM 328 CB ILE A 23 0.592 0.549 -13.774 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.235 0.392 -15.266 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.017 -0.552 -12.890 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.029 -1.050 -15.698 1.00 0.00 C ATOM 0 H ILE A 23 1.612 2.974 -14.279 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.963 1.915 -13.278 1.00 0.00 H new ATOM 0 HB ILE A 23 1.676 0.460 -13.700 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.649 0.992 -15.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.049 0.797 -15.867 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.311 -1.528 -13.247 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.310 -0.414 -11.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.105 -0.495 -12.936 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.273 -1.073 -16.760 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.861 -1.653 -15.517 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.864 -1.454 -15.125 1.00 0.00 H new ATOM 343 N LEU A 24 -0.393 2.357 -10.910 1.00 0.00 N ATOM 344 CA LEU A 24 -0.106 2.522 -9.490 1.00 0.00 C ATOM 345 C LEU A 24 -0.077 1.121 -8.890 1.00 0.00 C ATOM 346 O LEU A 24 -1.128 0.557 -8.595 1.00 0.00 O ATOM 347 CB LEU A 24 -1.152 3.413 -8.807 1.00 0.00 C ATOM 348 CG LEU A 24 -0.847 3.661 -7.316 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.276 4.690 -7.141 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.112 4.138 -6.598 1.00 0.00 C ATOM 0 H LEU A 24 -1.387 2.378 -11.136 1.00 0.00 H new ATOM 0 HA LEU A 24 0.850 3.024 -9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.202 4.370 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.134 2.949 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.513 2.721 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.467 4.843 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.182 4.325 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.022 5.635 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.889 4.311 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.461 5.065 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.888 3.377 -6.684 1.00 0.00 H new ATOM 362 N VAL A 25 1.120 0.563 -8.729 1.00 0.00 N ATOM 363 CA VAL A 25 1.314 -0.771 -8.186 1.00 0.00 C ATOM 364 C VAL A 25 1.359 -0.695 -6.664 1.00 0.00 C ATOM 365 O VAL A 25 2.334 -0.188 -6.108 1.00 0.00 O ATOM 366 CB VAL A 25 2.608 -1.382 -8.744 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.814 -2.789 -8.176 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.563 -1.479 -10.274 1.00 0.00 C ATOM 0 H VAL A 25 1.991 1.033 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 25 0.483 -1.412 -8.480 1.00 0.00 H new ATOM 0 HB VAL A 25 3.431 -0.730 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.734 -3.213 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.883 -2.736 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.971 -3.421 -8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.493 -1.915 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.725 -2.108 -10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.439 -0.483 -10.698 1.00 0.00 H new ATOM 378 N ASP A 26 0.329 -1.216 -5.992 1.00 0.00 N ATOM 379 CA ASP A 26 0.268 -1.262 -4.541 1.00 0.00 C ATOM 380 C ASP A 26 0.715 -2.637 -4.051 1.00 0.00 C ATOM 381 O ASP A 26 -0.026 -3.608 -4.177 1.00 0.00 O ATOM 382 CB ASP A 26 -1.141 -0.960 -4.031 1.00 0.00 C ATOM 383 CG ASP A 26 -1.251 -1.173 -2.523 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.258 -1.699 -2.060 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.222 -0.782 -1.715 1.00 0.00 O ATOM 0 H ASP A 26 -0.489 -1.619 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 26 0.937 -0.496 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.403 0.070 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.859 -1.601 -4.543 1.00 0.00 H new ATOM 391 N PHE A 27 1.889 -2.716 -3.438 1.00 0.00 N ATOM 392 CA PHE A 27 2.386 -3.947 -2.845 1.00 0.00 C ATOM 393 C PHE A 27 1.721 -4.062 -1.471 1.00 0.00 C ATOM 394 O PHE A 27 1.847 -3.128 -0.674 1.00 0.00 O ATOM 395 CB PHE A 27 3.915 -3.913 -2.740 1.00 0.00 C ATOM 396 CG PHE A 27 4.659 -3.949 -4.067 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.638 -2.840 -4.934 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.473 -5.055 -4.383 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.375 -2.866 -6.133 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.218 -5.071 -5.573 1.00 0.00 C ATOM 401 CZ PHE A 27 6.155 -3.986 -6.462 1.00 0.00 C ATOM 0 H PHE A 27 2.524 -1.924 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 27 2.144 -4.816 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.206 -3.010 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.240 -4.761 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.055 -1.967 -4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.524 -5.895 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.340 -2.020 -6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.842 -5.921 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.703 -4.013 -7.392 1.00 0.00 H new ATOM 411 N TRP A 28 1.010 -5.167 -1.209 1.00 0.00 N ATOM 412 CA TRP A 28 0.266 -5.402 0.028 1.00 0.00 C ATOM 413 C TRP A 28 0.458 -6.825 0.554 1.00 0.00 C ATOM 414 O TRP A 28 0.940 -7.698 -0.164 1.00 0.00 O ATOM 415 CB TRP A 28 -1.227 -5.146 -0.213 1.00 0.00 C ATOM 416 CG TRP A 28 -1.927 -6.111 -1.119 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.872 -6.103 -2.465 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.806 -7.221 -0.765 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.617 -7.146 -2.971 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.238 -7.856 -1.968 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.298 -7.745 0.447 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.111 -8.954 -1.967 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.174 -8.847 0.459 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.575 -9.456 -0.742 1.00 0.00 C ATOM 0 H TRP A 28 0.937 -5.940 -1.871 1.00 0.00 H new ATOM 0 HA TRP A 28 0.653 -4.714 0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.735 -5.152 0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.340 -4.144 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.325 -5.386 -3.059 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.698 -7.365 -3.964 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.998 -7.294 1.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.422 -9.407 -2.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.541 -9.228 1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.238 -10.308 -0.722 1.00 0.00 H new ATOM 435 N ALA A 29 0.037 -7.062 1.803 1.00 0.00 N ATOM 436 CA ALA A 29 0.076 -8.358 2.465 1.00 0.00 C ATOM 437 C ALA A 29 -1.197 -8.498 3.293 1.00 0.00 C ATOM 438 O ALA A 29 -1.604 -7.540 3.945 1.00 0.00 O ATOM 439 CB ALA A 29 1.302 -8.465 3.370 1.00 0.00 C ATOM 0 H ALA A 29 -0.352 -6.327 2.394 1.00 0.00 H new ATOM 0 HA ALA A 29 0.140 -9.153 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.312 -9.441 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.206 -8.347 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.264 -7.683 4.129 1.00 0.00 H new ATOM 445 N GLU A 30 -1.821 -9.678 3.270 1.00 0.00 N ATOM 446 CA GLU A 30 -3.074 -9.948 3.964 1.00 0.00 C ATOM 447 C GLU A 30 -3.018 -9.564 5.444 1.00 0.00 C ATOM 448 O GLU A 30 -3.918 -8.904 5.955 1.00 0.00 O ATOM 449 CB GLU A 30 -3.446 -11.424 3.764 1.00 0.00 C ATOM 450 CG GLU A 30 -4.857 -11.738 4.278 1.00 0.00 C ATOM 451 CD GLU A 30 -5.222 -13.194 4.012 1.00 0.00 C ATOM 452 OE1 GLU A 30 -4.727 -14.049 4.778 1.00 0.00 O ATOM 453 OE2 GLU A 30 -5.974 -13.423 3.041 1.00 0.00 O ATOM 0 H GLU A 30 -1.460 -10.484 2.759 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.855 -9.321 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.383 -11.673 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.723 -12.053 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.912 -11.535 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.580 -11.083 3.791 1.00 0.00 H new ATOM 460 N TRP A 31 -1.962 -9.985 6.138 1.00 0.00 N ATOM 461 CA TRP A 31 -1.781 -9.707 7.556 1.00 0.00 C ATOM 462 C TRP A 31 -1.511 -8.222 7.831 1.00 0.00 C ATOM 463 O TRP A 31 -1.734 -7.750 8.946 1.00 0.00 O ATOM 464 CB TRP A 31 -0.643 -10.583 8.097 1.00 0.00 C ATOM 465 CG TRP A 31 0.631 -10.543 7.307 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.971 -11.423 6.342 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.715 -9.563 7.355 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.163 -11.042 5.766 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.674 -9.904 6.354 1.00 0.00 C ATOM 470 CE3 TRP A 31 1.981 -8.411 8.127 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.823 -9.138 6.120 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.136 -7.638 7.907 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.056 -7.998 6.906 1.00 0.00 C ATOM 0 H TRP A 31 -1.205 -10.532 5.727 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.710 -9.948 8.073 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.426 -10.276 9.120 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.991 -11.615 8.141 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.396 -12.294 6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.613 -11.541 4.998 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.286 -8.118 8.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.521 -9.420 5.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.317 -6.762 8.511 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.940 -7.399 6.742 1.00 0.00 H new ATOM 484 N CYS A 32 -1.026 -7.468 6.840 1.00 0.00 N ATOM 485 CA CYS A 32 -0.695 -6.065 7.046 1.00 0.00 C ATOM 486 C CYS A 32 -1.948 -5.193 7.002 1.00 0.00 C ATOM 487 O CYS A 32 -2.216 -4.520 6.008 1.00 0.00 O ATOM 488 CB CYS A 32 0.383 -5.614 6.064 1.00 0.00 C ATOM 489 SG CYS A 32 0.798 -3.903 6.476 1.00 0.00 S ATOM 0 H CYS A 32 -0.856 -7.808 5.894 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.276 -5.946 8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.263 -6.252 6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.023 -5.686 5.038 1.00 0.00 H new ATOM 0 HG CYS A 32 1.810 -3.517 5.757 1.00 0.00 H new ATOM 495 N GLY A 33 -2.704 -5.218 8.105 1.00 0.00 N ATOM 496 CA GLY A 33 -3.942 -4.476 8.350 1.00 0.00 C ATOM 497 C GLY A 33 -4.130 -3.206 7.506 1.00 0.00 C ATOM 498 O GLY A 33 -5.079 -3.152 6.726 1.00 0.00 O ATOM 0 H GLY A 33 -2.448 -5.798 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.786 -5.141 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.977 -4.199 9.404 1.00 0.00 H new ATOM 502 N PRO A 34 -3.259 -2.188 7.635 1.00 0.00 N ATOM 503 CA PRO A 34 -3.328 -0.937 6.879 1.00 0.00 C ATOM 504 C PRO A 34 -3.619 -1.101 5.380 1.00 0.00 C ATOM 505 O PRO A 34 -4.279 -0.255 4.780 1.00 0.00 O ATOM 506 CB PRO A 34 -1.987 -0.244 7.124 1.00 0.00 C ATOM 507 CG PRO A 34 -1.634 -0.705 8.537 1.00 0.00 C ATOM 508 CD PRO A 34 -2.126 -2.152 8.548 1.00 0.00 C ATOM 0 HA PRO A 34 -4.178 -0.349 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.234 -0.548 6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.072 0.841 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.563 -0.639 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.132 -0.102 9.296 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.341 -2.835 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.422 -2.458 9.552 1.00 0.00 H new ATOM 516 N CYS A 35 -3.170 -2.200 4.770 1.00 0.00 N ATOM 517 CA CYS A 35 -3.451 -2.489 3.366 1.00 0.00 C ATOM 518 C CYS A 35 -4.964 -2.488 3.131 1.00 0.00 C ATOM 519 O CYS A 35 -5.460 -1.907 2.165 1.00 0.00 O ATOM 520 CB CYS A 35 -2.861 -3.842 2.957 1.00 0.00 C ATOM 521 SG CYS A 35 -1.052 -3.806 3.055 1.00 0.00 S ATOM 0 H CYS A 35 -2.604 -2.910 5.234 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.987 -1.715 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.250 -4.626 3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.171 -4.088 1.941 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.685 -3.782 4.302 1.00 0.00 H new ATOM 527 N LYS A 36 -5.706 -3.107 4.053 1.00 0.00 N ATOM 528 CA LYS A 36 -7.158 -3.165 4.014 1.00 0.00 C ATOM 529 C LYS A 36 -7.746 -1.767 4.204 1.00 0.00 C ATOM 530 O LYS A 36 -8.786 -1.457 3.632 1.00 0.00 O ATOM 531 CB LYS A 36 -7.692 -4.116 5.093 1.00 0.00 C ATOM 532 CG LYS A 36 -7.013 -5.491 5.063 1.00 0.00 C ATOM 533 CD LYS A 36 -7.702 -6.429 6.063 1.00 0.00 C ATOM 534 CE LYS A 36 -6.871 -7.692 6.307 1.00 0.00 C ATOM 535 NZ LYS A 36 -6.630 -8.448 5.065 1.00 0.00 N ATOM 0 H LYS A 36 -5.303 -3.587 4.857 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.462 -3.547 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.544 -3.664 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.766 -4.243 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.066 -5.912 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.956 -5.391 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.858 -5.906 7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.686 -6.706 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.916 -7.416 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.386 -8.330 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.955 -9.428 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.152 -8.005 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.613 -8.445 4.848 1.00 0.00 H new ATOM 549 N MET A 37 -7.081 -0.918 4.995 1.00 0.00 N ATOM 550 CA MET A 37 -7.525 0.447 5.231 1.00 0.00 C ATOM 551 C MET A 37 -7.408 1.258 3.939 1.00 0.00 C ATOM 552 O MET A 37 -8.326 2.003 3.603 1.00 0.00 O ATOM 553 CB MET A 37 -6.739 1.070 6.392 1.00 0.00 C ATOM 554 CG MET A 37 -7.365 2.389 6.863 1.00 0.00 C ATOM 555 SD MET A 37 -6.428 3.289 8.127 1.00 0.00 S ATOM 556 CE MET A 37 -6.451 2.104 9.491 1.00 0.00 C ATOM 0 H MET A 37 -6.221 -1.164 5.486 1.00 0.00 H new ATOM 0 HA MET A 37 -8.575 0.450 5.525 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.703 0.367 7.225 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.710 1.247 6.080 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.493 3.040 5.998 1.00 0.00 H new ATOM 0 HG3 MET A 37 -8.361 2.179 7.254 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.022 2.565 10.381 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.479 1.806 9.697 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.866 1.225 9.220 1.00 0.00 H new ATOM 566 N ILE A 38 -6.293 1.126 3.211 1.00 0.00 N ATOM 567 CA ILE A 38 -6.125 1.865 1.961 1.00 0.00 C ATOM 568 C ILE A 38 -6.914 1.241 0.800 1.00 0.00 C ATOM 569 O ILE A 38 -7.285 1.961 -0.120 1.00 0.00 O ATOM 570 CB ILE A 38 -4.652 2.141 1.613 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.870 0.867 1.270 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.971 2.919 2.749 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.592 1.188 0.491 1.00 0.00 C ATOM 0 H ILE A 38 -5.508 0.525 3.462 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.566 2.847 2.131 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.647 2.753 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.615 0.337 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.499 0.200 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.929 3.107 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.485 3.869 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.015 2.334 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.062 0.263 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.850 1.695 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.952 1.835 1.092 1.00 0.00 H new ATOM 585 N ALA A 39 -7.178 -0.071 0.815 1.00 0.00 N ATOM 586 CA ALA A 39 -7.946 -0.754 -0.229 1.00 0.00 C ATOM 587 C ALA A 39 -9.160 0.047 -0.754 1.00 0.00 C ATOM 588 O ALA A 39 -9.214 0.313 -1.954 1.00 0.00 O ATOM 589 CB ALA A 39 -8.326 -2.170 0.219 1.00 0.00 C ATOM 0 H ALA A 39 -6.861 -0.692 1.559 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.286 -0.833 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.896 -2.661 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.421 -2.742 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.932 -2.115 1.124 1.00 0.00 H new ATOM 595 N PRO A 40 -10.132 0.463 0.081 1.00 0.00 N ATOM 596 CA PRO A 40 -11.262 1.257 -0.382 1.00 0.00 C ATOM 597 C PRO A 40 -10.800 2.569 -1.024 1.00 0.00 C ATOM 598 O PRO A 40 -11.338 2.967 -2.052 1.00 0.00 O ATOM 599 CB PRO A 40 -12.157 1.497 0.835 1.00 0.00 C ATOM 600 CG PRO A 40 -11.210 1.313 2.017 1.00 0.00 C ATOM 601 CD PRO A 40 -10.245 0.245 1.512 1.00 0.00 C ATOM 0 HA PRO A 40 -11.814 0.732 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.593 2.496 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.985 0.789 0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.693 2.239 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.739 0.989 2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.274 0.333 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.621 -0.755 1.727 1.00 0.00 H new ATOM 609 N ILE A 41 -9.778 3.223 -0.462 1.00 0.00 N ATOM 610 CA ILE A 41 -9.236 4.449 -1.036 1.00 0.00 C ATOM 611 C ILE A 41 -8.779 4.139 -2.463 1.00 0.00 C ATOM 612 O ILE A 41 -9.165 4.824 -3.406 1.00 0.00 O ATOM 613 CB ILE A 41 -8.092 5.040 -0.185 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.489 5.142 1.300 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.718 6.425 -0.734 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.369 5.731 2.163 1.00 0.00 C ATOM 0 H ILE A 41 -9.311 2.919 0.392 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.011 5.215 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.232 4.374 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.381 5.762 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.749 4.151 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.910 6.847 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.392 6.330 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.586 7.082 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.698 5.782 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.485 5.098 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.126 6.733 1.810 1.00 0.00 H new ATOM 628 N LEU A 42 -7.982 3.080 -2.628 1.00 0.00 N ATOM 629 CA LEU A 42 -7.505 2.641 -3.932 1.00 0.00 C ATOM 630 C LEU A 42 -8.690 2.353 -4.867 1.00 0.00 C ATOM 631 O LEU A 42 -8.659 2.757 -6.028 1.00 0.00 O ATOM 632 CB LEU A 42 -6.550 1.448 -3.777 1.00 0.00 C ATOM 633 CG LEU A 42 -5.177 1.850 -3.207 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.454 0.593 -2.717 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.295 2.530 -4.260 1.00 0.00 C ATOM 0 H LEU A 42 -7.651 2.504 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.930 3.440 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.007 0.706 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.410 0.973 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.349 2.555 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.480 0.868 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.048 0.111 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.318 -0.097 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.337 2.797 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.131 1.847 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.790 3.431 -4.622 1.00 0.00 H new ATOM 647 N ASP A 43 -9.746 1.692 -4.381 1.00 0.00 N ATOM 648 CA ASP A 43 -10.942 1.428 -5.183 1.00 0.00 C ATOM 649 C ASP A 43 -11.563 2.745 -5.672 1.00 0.00 C ATOM 650 O ASP A 43 -11.892 2.893 -6.851 1.00 0.00 O ATOM 651 CB ASP A 43 -11.995 0.647 -4.384 1.00 0.00 C ATOM 652 CG ASP A 43 -11.635 -0.800 -4.058 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.526 -1.238 -4.429 1.00 0.00 O ATOM 654 OD2 ASP A 43 -12.507 -1.455 -3.443 1.00 0.00 O ATOM 0 H ASP A 43 -9.795 1.328 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.631 0.826 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.182 1.176 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.929 0.653 -4.946 1.00 0.00 H new ATOM 659 N GLU A 44 -11.736 3.708 -4.762 1.00 0.00 N ATOM 660 CA GLU A 44 -12.304 5.012 -5.088 1.00 0.00 C ATOM 661 C GLU A 44 -11.429 5.692 -6.142 1.00 0.00 C ATOM 662 O GLU A 44 -11.923 6.156 -7.166 1.00 0.00 O ATOM 663 CB GLU A 44 -12.426 5.873 -3.826 1.00 0.00 C ATOM 664 CG GLU A 44 -13.462 5.314 -2.843 1.00 0.00 C ATOM 665 CD GLU A 44 -13.314 5.947 -1.462 1.00 0.00 C ATOM 666 OE1 GLU A 44 -13.653 7.145 -1.351 1.00 0.00 O ATOM 667 OE2 GLU A 44 -12.852 5.231 -0.545 1.00 0.00 O ATOM 0 H GLU A 44 -11.485 3.602 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.307 4.884 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.455 5.933 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.704 6.889 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.466 5.500 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.346 4.233 -2.764 1.00 0.00 H new ATOM 674 N ILE A 45 -10.118 5.720 -5.899 1.00 0.00 N ATOM 675 CA ILE A 45 -9.141 6.285 -6.817 1.00 0.00 C ATOM 676 C ILE A 45 -9.272 5.613 -8.186 1.00 0.00 C ATOM 677 O ILE A 45 -9.271 6.304 -9.200 1.00 0.00 O ATOM 678 CB ILE A 45 -7.737 6.155 -6.206 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.572 7.081 -4.984 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.608 6.371 -7.219 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.410 8.572 -5.296 1.00 0.00 C ATOM 0 H ILE A 45 -9.704 5.344 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.323 7.348 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.650 5.121 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.441 6.956 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.702 6.751 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.645 6.265 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.687 5.631 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.687 7.371 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.302 9.129 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.524 8.720 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.289 8.929 -5.832 1.00 0.00 H new ATOM 693 N ALA A 46 -9.407 4.285 -8.233 1.00 0.00 N ATOM 694 CA ALA A 46 -9.580 3.565 -9.489 1.00 0.00 C ATOM 695 C ALA A 46 -10.774 4.125 -10.263 1.00 0.00 C ATOM 696 O ALA A 46 -10.692 4.308 -11.474 1.00 0.00 O ATOM 697 CB ALA A 46 -9.737 2.063 -9.243 1.00 0.00 C ATOM 0 H ALA A 46 -9.399 3.687 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.684 3.707 -10.093 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.864 1.550 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.848 1.682 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.611 1.886 -8.616 1.00 0.00 H new ATOM 703 N ASP A 47 -11.874 4.419 -9.563 1.00 0.00 N ATOM 704 CA ASP A 47 -13.046 5.014 -10.194 1.00 0.00 C ATOM 705 C ASP A 47 -12.720 6.431 -10.679 1.00 0.00 C ATOM 706 O ASP A 47 -12.838 6.740 -11.862 1.00 0.00 O ATOM 707 CB ASP A 47 -14.228 5.039 -9.216 1.00 0.00 C ATOM 708 CG ASP A 47 -15.492 5.523 -9.915 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.161 4.664 -10.529 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.763 6.740 -9.824 1.00 0.00 O ATOM 0 H ASP A 47 -11.973 4.253 -8.561 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.327 4.406 -11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.391 4.041 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.998 5.693 -8.375 1.00 0.00 H new ATOM 715 N GLU A 48 -12.316 7.299 -9.752 1.00 0.00 N ATOM 716 CA GLU A 48 -12.020 8.701 -10.017 1.00 0.00 C ATOM 717 C GLU A 48 -11.051 8.881 -11.191 1.00 0.00 C ATOM 718 O GLU A 48 -11.269 9.723 -12.061 1.00 0.00 O ATOM 719 CB GLU A 48 -11.486 9.353 -8.736 1.00 0.00 C ATOM 720 CG GLU A 48 -12.561 9.398 -7.637 1.00 0.00 C ATOM 721 CD GLU A 48 -11.996 9.868 -6.302 1.00 0.00 C ATOM 722 OE1 GLU A 48 -10.986 9.273 -5.866 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.586 10.809 -5.729 1.00 0.00 O ATOM 0 H GLU A 48 -12.183 7.038 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.943 9.199 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.620 8.797 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.146 10.365 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.366 10.066 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.998 8.407 -7.517 1.00 0.00 H new ATOM 730 N TYR A 49 -9.978 8.088 -11.220 1.00 0.00 N ATOM 731 CA TYR A 49 -8.960 8.140 -12.259 1.00 0.00 C ATOM 732 C TYR A 49 -9.187 7.067 -13.333 1.00 0.00 C ATOM 733 O TYR A 49 -8.239 6.703 -14.031 1.00 0.00 O ATOM 734 CB TYR A 49 -7.558 8.046 -11.639 1.00 0.00 C ATOM 735 CG TYR A 49 -7.142 9.223 -10.774 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.635 9.346 -9.463 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.202 10.159 -11.251 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.202 10.396 -8.639 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.752 11.197 -10.417 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.251 11.315 -9.110 1.00 0.00 C ATOM 741 OH TYR A 49 -5.815 12.309 -8.286 1.00 0.00 O ATOM 0 H TYR A 49 -9.793 7.381 -10.508 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.039 9.103 -12.764 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.507 7.139 -11.036 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.831 7.935 -12.444 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.350 8.629 -9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.826 10.078 -12.260 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.601 10.497 -7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.022 11.904 -10.782 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.158 12.861 -8.759 1.00 0.00 H new ATOM 751 N GLN A 50 -10.415 6.558 -13.502 1.00 0.00 N ATOM 752 CA GLN A 50 -10.694 5.547 -14.511 1.00 0.00 C ATOM 753 C GLN A 50 -10.171 5.994 -15.877 1.00 0.00 C ATOM 754 O GLN A 50 -10.401 7.132 -16.291 1.00 0.00 O ATOM 755 CB GLN A 50 -12.189 5.198 -14.528 1.00 0.00 C ATOM 756 CG GLN A 50 -13.141 6.368 -14.842 1.00 0.00 C ATOM 757 CD GLN A 50 -13.699 6.319 -16.264 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.796 5.822 -16.487 1.00 0.00 O ATOM 759 NE2 GLN A 50 -12.961 6.831 -17.241 1.00 0.00 N ATOM 0 H GLN A 50 -11.226 6.835 -12.949 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.163 4.630 -14.256 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.352 4.412 -15.265 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.459 4.784 -13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.968 6.356 -14.132 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.611 7.309 -14.698 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.050 7.240 -17.032 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.305 6.816 -18.201 1.00 0.00 H new ATOM 768 N GLY A 51 -9.419 5.128 -16.560 1.00 0.00 N ATOM 769 CA GLY A 51 -8.836 5.427 -17.863 1.00 0.00 C ATOM 770 C GLY A 51 -7.615 6.353 -17.801 1.00 0.00 C ATOM 771 O GLY A 51 -6.868 6.426 -18.773 1.00 0.00 O ATOM 0 H GLY A 51 -9.198 4.193 -16.218 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.547 4.492 -18.343 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.597 5.887 -18.493 1.00 0.00 H new ATOM 775 N LYS A 52 -7.398 7.056 -16.684 1.00 0.00 N ATOM 776 CA LYS A 52 -6.289 7.984 -16.500 1.00 0.00 C ATOM 777 C LYS A 52 -5.167 7.313 -15.701 1.00 0.00 C ATOM 778 O LYS A 52 -3.993 7.566 -15.961 1.00 0.00 O ATOM 779 CB LYS A 52 -6.808 9.259 -15.816 1.00 0.00 C ATOM 780 CG LYS A 52 -7.894 9.924 -16.679 1.00 0.00 C ATOM 781 CD LYS A 52 -8.371 11.275 -16.124 1.00 0.00 C ATOM 782 CE LYS A 52 -9.064 11.177 -14.757 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.226 10.267 -14.781 1.00 0.00 N ATOM 0 H LYS A 52 -8.005 6.990 -15.867 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.868 8.266 -17.465 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.214 9.014 -14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.984 9.955 -15.656 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.508 10.070 -17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.747 9.251 -16.759 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.515 11.944 -16.039 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.060 11.727 -16.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.348 10.828 -14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.389 12.170 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.691 10.273 -13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.900 10.584 -15.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.907 9.302 -15.003 1.00 0.00 H new ATOM 797 N LEU A 53 -5.522 6.454 -14.741 1.00 0.00 N ATOM 798 CA LEU A 53 -4.581 5.719 -13.911 1.00 0.00 C ATOM 799 C LEU A 53 -5.056 4.275 -13.791 1.00 0.00 C ATOM 800 O LEU A 53 -6.238 4.033 -13.546 1.00 0.00 O ATOM 801 CB LEU A 53 -4.538 6.358 -12.520 1.00 0.00 C ATOM 802 CG LEU A 53 -3.497 5.741 -11.578 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.086 6.232 -11.910 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.865 6.137 -10.148 1.00 0.00 C ATOM 0 H LEU A 53 -6.497 6.250 -14.519 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.586 5.745 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.329 7.422 -12.627 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.523 6.271 -12.062 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.500 4.657 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.372 5.776 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.835 5.953 -12.934 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.045 7.317 -11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.140 5.711 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.858 7.223 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.860 5.759 -9.910 1.00 0.00 H new ATOM 816 N THR A 54 -4.137 3.319 -13.921 1.00 0.00 N ATOM 817 CA THR A 54 -4.431 1.907 -13.743 1.00 0.00 C ATOM 818 C THR A 54 -4.036 1.540 -12.313 1.00 0.00 C ATOM 819 O THR A 54 -2.851 1.420 -12.002 1.00 0.00 O ATOM 820 CB THR A 54 -3.661 1.098 -14.792 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.033 1.536 -16.081 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.920 -0.406 -14.685 1.00 0.00 C ATOM 0 H THR A 54 -3.162 3.509 -14.154 1.00 0.00 H new ATOM 0 HA THR A 54 -5.488 1.684 -13.884 1.00 0.00 H new ATOM 0 HB THR A 54 -2.599 1.262 -14.612 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.542 1.022 -16.756 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.349 -0.929 -15.452 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.613 -0.759 -13.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.983 -0.603 -14.826 1.00 0.00 H new ATOM 830 N VAL A 55 -5.010 1.372 -11.423 1.00 0.00 N ATOM 831 CA VAL A 55 -4.719 0.988 -10.051 1.00 0.00 C ATOM 832 C VAL A 55 -4.472 -0.522 -10.036 1.00 0.00 C ATOM 833 O VAL A 55 -5.278 -1.294 -10.557 1.00 0.00 O ATOM 834 CB VAL A 55 -5.858 1.420 -9.119 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.558 1.017 -7.672 1.00 0.00 C ATOM 836 CG2 VAL A 55 -6.016 2.945 -9.157 1.00 0.00 C ATOM 0 H VAL A 55 -6.001 1.496 -11.628 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.827 1.492 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.770 0.929 -9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.379 1.333 -7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.446 -0.066 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.635 1.496 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.827 3.243 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.088 3.415 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.245 3.262 -10.174 1.00 0.00 H new ATOM 846 N ALA A 56 -3.348 -0.946 -9.458 1.00 0.00 N ATOM 847 CA ALA A 56 -2.962 -2.340 -9.383 1.00 0.00 C ATOM 848 C ALA A 56 -2.586 -2.695 -7.949 1.00 0.00 C ATOM 849 O ALA A 56 -2.127 -1.842 -7.190 1.00 0.00 O ATOM 850 CB ALA A 56 -1.812 -2.596 -10.358 1.00 0.00 C ATOM 0 H ALA A 56 -2.675 -0.314 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.796 -2.980 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.517 -3.644 -10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.135 -2.360 -11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.963 -1.967 -10.092 1.00 0.00 H new ATOM 856 N LYS A 57 -2.767 -3.961 -7.578 1.00 0.00 N ATOM 857 CA LYS A 57 -2.428 -4.495 -6.269 1.00 0.00 C ATOM 858 C LYS A 57 -1.568 -5.733 -6.471 1.00 0.00 C ATOM 859 O LYS A 57 -1.802 -6.493 -7.403 1.00 0.00 O ATOM 860 CB LYS A 57 -3.691 -4.824 -5.461 1.00 0.00 C ATOM 861 CG LYS A 57 -4.152 -3.636 -4.607 1.00 0.00 C ATOM 862 CD LYS A 57 -5.413 -4.018 -3.815 1.00 0.00 C ATOM 863 CE LYS A 57 -5.854 -2.911 -2.849 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.907 -2.740 -1.731 1.00 0.00 N ATOM 0 H LYS A 57 -3.166 -4.662 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.875 -3.750 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.492 -5.114 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.496 -5.680 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.358 -3.340 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.359 -2.777 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.224 -4.234 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.223 -4.932 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.945 -1.971 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.842 -3.148 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.308 -2.081 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.734 -3.660 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.009 -2.358 -2.092 1.00 0.00 H new ATOM 878 N LEU A 58 -0.571 -5.937 -5.615 1.00 0.00 N ATOM 879 CA LEU A 58 0.328 -7.074 -5.687 1.00 0.00 C ATOM 880 C LEU A 58 0.462 -7.681 -4.298 1.00 0.00 C ATOM 881 O LEU A 58 0.960 -7.034 -3.377 1.00 0.00 O ATOM 882 CB LEU A 58 1.659 -6.604 -6.271 1.00 0.00 C ATOM 883 CG LEU A 58 2.590 -7.786 -6.590 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.458 -7.389 -7.779 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.498 -8.165 -5.414 1.00 0.00 C ATOM 0 H LEU A 58 -0.366 -5.305 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.056 -7.856 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.475 -6.030 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.150 -5.934 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 58 1.971 -8.656 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.130 -8.210 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.822 -7.167 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.043 -6.506 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.131 -9.005 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.123 -7.313 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.886 -8.447 -4.558 1.00 0.00 H new ATOM 897 N ASN A 59 -0.002 -8.924 -4.138 1.00 0.00 N ATOM 898 CA ASN A 59 0.068 -9.614 -2.861 1.00 0.00 C ATOM 899 C ASN A 59 1.470 -10.193 -2.667 1.00 0.00 C ATOM 900 O ASN A 59 1.833 -11.165 -3.335 1.00 0.00 O ATOM 901 CB ASN A 59 -0.983 -10.722 -2.782 1.00 0.00 C ATOM 902 CG ASN A 59 -0.823 -11.429 -1.445 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.097 -12.411 -1.358 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.441 -10.928 -0.382 1.00 0.00 N ATOM 0 H ASN A 59 -0.431 -9.469 -4.886 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.138 -8.899 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.985 -10.303 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.855 -11.427 -3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.316 -11.362 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.041 -10.109 -0.480 1.00 0.00 H new ATOM 911 N ILE A 60 2.249 -9.611 -1.751 1.00 0.00 N ATOM 912 CA ILE A 60 3.610 -10.060 -1.488 1.00 0.00 C ATOM 913 C ILE A 60 3.661 -11.401 -0.753 1.00 0.00 C ATOM 914 O ILE A 60 4.695 -12.059 -0.786 1.00 0.00 O ATOM 915 CB ILE A 60 4.454 -8.992 -0.771 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.984 -8.700 0.663 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.516 -7.705 -1.603 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.163 -8.337 1.566 1.00 0.00 C ATOM 0 H ILE A 60 1.953 -8.822 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 60 4.060 -10.221 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 60 5.458 -9.405 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.264 -7.882 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.469 -9.573 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.117 -6.962 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.967 -7.919 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.508 -7.318 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.801 -8.136 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.869 -9.167 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.661 -7.449 1.175 1.00 0.00 H new ATOM 930 N ASP A 61 2.576 -11.831 -0.096 1.00 0.00 N ATOM 931 CA ASP A 61 2.578 -13.119 0.597 1.00 0.00 C ATOM 932 C ASP A 61 2.832 -14.225 -0.427 1.00 0.00 C ATOM 933 O ASP A 61 3.669 -15.099 -0.229 1.00 0.00 O ATOM 934 CB ASP A 61 1.262 -13.386 1.343 1.00 0.00 C ATOM 935 CG ASP A 61 0.861 -12.259 2.284 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.669 -11.965 3.191 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.246 -11.706 2.079 1.00 0.00 O ATOM 0 H ASP A 61 1.700 -11.313 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 61 3.368 -13.100 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.466 -13.542 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.358 -14.309 1.914 1.00 0.00 H new ATOM 942 N GLN A 62 2.092 -14.159 -1.534 1.00 0.00 N ATOM 943 CA GLN A 62 2.213 -15.078 -2.652 1.00 0.00 C ATOM 944 C GLN A 62 3.401 -14.681 -3.529 1.00 0.00 C ATOM 945 O GLN A 62 4.026 -15.548 -4.135 1.00 0.00 O ATOM 946 CB GLN A 62 0.909 -15.056 -3.464 1.00 0.00 C ATOM 947 CG GLN A 62 -0.329 -15.493 -2.663 1.00 0.00 C ATOM 948 CD GLN A 62 -0.269 -16.954 -2.225 1.00 0.00 C ATOM 949 OE1 GLN A 62 -0.835 -17.825 -2.875 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.407 -17.239 -1.116 1.00 0.00 N ATOM 0 H GLN A 62 1.377 -13.446 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 62 2.386 -16.088 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.746 -14.048 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.020 -15.710 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.428 -14.859 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.221 -15.337 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.869 -16.494 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.464 -18.203 -0.787 1.00 0.00 H new ATOM 959 N ASN A 63 3.695 -13.378 -3.631 1.00 0.00 N ATOM 960 CA ASN A 63 4.743 -12.858 -4.511 1.00 0.00 C ATOM 961 C ASN A 63 5.818 -12.072 -3.751 1.00 0.00 C ATOM 962 O ASN A 63 5.973 -10.873 -3.986 1.00 0.00 O ATOM 963 CB ASN A 63 4.087 -11.976 -5.578 1.00 0.00 C ATOM 964 CG ASN A 63 2.997 -12.722 -6.328 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.268 -13.450 -7.277 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.745 -12.545 -5.922 1.00 0.00 N ATOM 0 H ASN A 63 3.209 -12.654 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 63 5.254 -13.703 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.664 -11.089 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.844 -11.632 -6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.981 -13.020 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.547 -11.934 -5.130 1.00 0.00 H new ATOM 973 N PRO A 64 6.591 -12.706 -2.857 1.00 0.00 N ATOM 974 CA PRO A 64 7.614 -12.006 -2.101 1.00 0.00 C ATOM 975 C PRO A 64 8.721 -11.503 -3.028 1.00 0.00 C ATOM 976 O PRO A 64 9.181 -10.374 -2.879 1.00 0.00 O ATOM 977 CB PRO A 64 8.125 -13.011 -1.066 1.00 0.00 C ATOM 978 CG PRO A 64 7.822 -14.373 -1.695 1.00 0.00 C ATOM 979 CD PRO A 64 6.541 -14.113 -2.491 1.00 0.00 C ATOM 0 HA PRO A 64 7.226 -11.116 -1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.192 -12.885 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.618 -12.891 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.635 -14.709 -2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.676 -15.143 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.493 -14.747 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.656 -14.332 -1.893 1.00 0.00 H new ATOM 987 N GLY A 65 9.134 -12.341 -3.987 1.00 0.00 N ATOM 988 CA GLY A 65 10.191 -12.074 -4.956 1.00 0.00 C ATOM 989 C GLY A 65 10.133 -10.691 -5.609 1.00 0.00 C ATOM 990 O GLY A 65 11.171 -10.140 -5.967 1.00 0.00 O ATOM 0 H GLY A 65 8.718 -13.264 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.155 -12.185 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.146 -12.831 -5.739 1.00 0.00 H new ATOM 994 N THR A 66 8.940 -10.113 -5.768 1.00 0.00 N ATOM 995 CA THR A 66 8.792 -8.807 -6.387 1.00 0.00 C ATOM 996 C THR A 66 9.286 -7.672 -5.478 1.00 0.00 C ATOM 997 O THR A 66 9.701 -6.634 -5.984 1.00 0.00 O ATOM 998 CB THR A 66 7.339 -8.604 -6.838 1.00 0.00 C ATOM 999 OG1 THR A 66 6.780 -9.847 -7.210 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.283 -7.664 -8.045 1.00 0.00 C ATOM 0 H THR A 66 8.061 -10.538 -5.472 1.00 0.00 H new ATOM 0 HA THR A 66 9.430 -8.773 -7.270 1.00 0.00 H new ATOM 0 HB THR A 66 6.778 -8.170 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.443 -10.367 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.246 -7.530 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.709 -6.698 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.854 -8.094 -8.868 1.00 0.00 H new ATOM 1008 N ALA A 67 9.268 -7.841 -4.150 1.00 0.00 N ATOM 1009 CA ALA A 67 9.749 -6.799 -3.247 1.00 0.00 C ATOM 1010 C ALA A 67 11.250 -6.526 -3.463 1.00 0.00 C ATOM 1011 O ALA A 67 11.593 -5.391 -3.808 1.00 0.00 O ATOM 1012 CB ALA A 67 9.319 -7.066 -1.797 1.00 0.00 C ATOM 0 H ALA A 67 8.928 -8.683 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 67 9.264 -5.855 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.695 -6.270 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.231 -7.096 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.726 -8.022 -1.467 1.00 0.00 H new ATOM 1018 N PRO A 68 12.143 -7.525 -3.313 1.00 0.00 N ATOM 1019 CA PRO A 68 13.567 -7.395 -3.594 1.00 0.00 C ATOM 1020 C PRO A 68 13.858 -6.690 -4.922 1.00 0.00 C ATOM 1021 O PRO A 68 14.719 -5.812 -4.960 1.00 0.00 O ATOM 1022 CB PRO A 68 14.124 -8.822 -3.620 1.00 0.00 C ATOM 1023 CG PRO A 68 13.206 -9.566 -2.658 1.00 0.00 C ATOM 1024 CD PRO A 68 11.861 -8.882 -2.874 1.00 0.00 C ATOM 0 HA PRO A 68 14.036 -6.775 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.091 -9.250 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.163 -8.856 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.159 -10.631 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.544 -9.476 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.272 -9.415 -3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.278 -8.877 -1.953 1.00 0.00 H new ATOM 1032 N LYS A 69 13.148 -7.053 -5.999 1.00 0.00 N ATOM 1033 CA LYS A 69 13.339 -6.453 -7.321 1.00 0.00 C ATOM 1034 C LYS A 69 13.307 -4.922 -7.285 1.00 0.00 C ATOM 1035 O LYS A 69 13.985 -4.286 -8.091 1.00 0.00 O ATOM 1036 CB LYS A 69 12.299 -6.975 -8.322 1.00 0.00 C ATOM 1037 CG LYS A 69 12.513 -8.453 -8.667 1.00 0.00 C ATOM 1038 CD LYS A 69 11.460 -8.906 -9.685 1.00 0.00 C ATOM 1039 CE LYS A 69 11.587 -10.408 -9.955 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.541 -10.875 -10.883 1.00 0.00 N ATOM 0 H LYS A 69 12.425 -7.772 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 69 14.334 -6.753 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.300 -6.842 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.346 -6.381 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.513 -8.600 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.445 -9.060 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.462 -8.681 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.583 -8.352 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.570 -10.623 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.514 -10.956 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.759 -11.844 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.619 -10.865 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.506 -10.247 -11.711 1.00 0.00 H new ATOM 1054 N TYR A 70 12.539 -4.332 -6.364 1.00 0.00 N ATOM 1055 CA TYR A 70 12.449 -2.884 -6.209 1.00 0.00 C ATOM 1056 C TYR A 70 12.893 -2.459 -4.806 1.00 0.00 C ATOM 1057 O TYR A 70 12.563 -1.361 -4.364 1.00 0.00 O ATOM 1058 CB TYR A 70 11.024 -2.435 -6.553 1.00 0.00 C ATOM 1059 CG TYR A 70 10.625 -2.792 -7.973 1.00 0.00 C ATOM 1060 CD1 TYR A 70 11.192 -2.081 -9.048 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.896 -3.970 -8.225 1.00 0.00 C ATOM 1062 CE1 TYR A 70 11.093 -2.583 -10.358 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.810 -4.479 -9.532 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.447 -3.808 -10.591 1.00 0.00 C ATOM 1065 OH TYR A 70 10.446 -4.354 -11.839 1.00 0.00 O ATOM 0 H TYR A 70 11.961 -4.852 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 70 13.130 -2.386 -6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.324 -2.896 -5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.945 -1.356 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.704 -1.148 -8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.402 -4.483 -7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.513 -2.027 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.255 -5.385 -9.723 1.00 0.00 H new ATOM 0 HH TYR A 70 9.689 -4.970 -11.926 1.00 0.00 H new ATOM 1075 N GLY A 71 13.646 -3.322 -4.111 1.00 0.00 N ATOM 1076 CA GLY A 71 14.164 -3.102 -2.768 1.00 0.00 C ATOM 1077 C GLY A 71 13.105 -2.546 -1.815 1.00 0.00 C ATOM 1078 O GLY A 71 13.418 -1.700 -0.978 1.00 0.00 O ATOM 0 H GLY A 71 13.918 -4.228 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.547 -4.042 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.005 -2.410 -2.815 1.00 0.00 H new ATOM 1082 N ILE A 72 11.859 -3.010 -1.944 1.00 0.00 N ATOM 1083 CA ILE A 72 10.754 -2.517 -1.130 1.00 0.00 C ATOM 1084 C ILE A 72 11.013 -2.772 0.357 1.00 0.00 C ATOM 1085 O ILE A 72 11.560 -3.805 0.739 1.00 0.00 O ATOM 1086 CB ILE A 72 9.424 -3.067 -1.672 1.00 0.00 C ATOM 1087 CG1 ILE A 72 9.098 -2.263 -2.944 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.283 -2.962 -0.655 1.00 0.00 C ATOM 1089 CD1 ILE A 72 7.943 -2.847 -3.748 1.00 0.00 C ATOM 0 H ILE A 72 11.593 -3.733 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 72 10.676 -1.432 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 72 9.527 -4.131 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.855 -1.238 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.986 -2.220 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.369 -3.365 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.539 -3.530 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.128 -1.916 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.766 -2.232 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.191 -3.862 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.044 -2.865 -3.132 1.00 0.00 H new ATOM 1101 N ARG A 73 10.646 -1.786 1.181 1.00 0.00 N ATOM 1102 CA ARG A 73 10.913 -1.776 2.612 1.00 0.00 C ATOM 1103 C ARG A 73 9.926 -2.647 3.389 1.00 0.00 C ATOM 1104 O ARG A 73 10.296 -3.301 4.361 1.00 0.00 O ATOM 1105 CB ARG A 73 10.843 -0.331 3.135 1.00 0.00 C ATOM 1106 CG ARG A 73 11.563 0.743 2.299 1.00 0.00 C ATOM 1107 CD ARG A 73 12.939 0.339 1.762 1.00 0.00 C ATOM 1108 NE ARG A 73 13.792 -0.253 2.800 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.623 -1.295 2.630 1.00 0.00 C ATOM 1110 NH1 ARG A 73 14.745 -1.915 1.449 1.00 0.00 N ATOM 1111 NH2 ARG A 73 15.339 -1.723 3.673 1.00 0.00 N ATOM 0 H ARG A 73 10.145 -0.958 0.860 1.00 0.00 H new ATOM 0 HA ARG A 73 11.910 -2.189 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.793 -0.050 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.259 -0.313 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.926 1.011 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.678 1.639 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.813 -0.375 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.435 1.215 1.344 1.00 0.00 H new ATOM 0 HE ARG A 73 13.750 0.163 3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.199 -1.599 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.384 -2.704 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.249 -1.260 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.976 -2.513 3.565 1.00 0.00 H new ATOM 1125 N GLY A 74 8.660 -2.632 2.978 1.00 0.00 N ATOM 1126 CA GLY A 74 7.581 -3.359 3.617 1.00 0.00 C ATOM 1127 C GLY A 74 6.313 -3.063 2.827 1.00 0.00 C ATOM 1128 O GLY A 74 6.404 -2.747 1.642 1.00 0.00 O ATOM 0 H GLY A 74 8.354 -2.096 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.789 -4.429 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.469 -3.048 4.656 1.00 0.00 H new ATOM 1132 N ILE A 75 5.144 -3.117 3.465 1.00 0.00 N ATOM 1133 CA ILE A 75 3.864 -2.821 2.837 1.00 0.00 C ATOM 1134 C ILE A 75 2.944 -2.166 3.872 1.00 0.00 C ATOM 1135 O ILE A 75 3.177 -2.378 5.062 1.00 0.00 O ATOM 1136 CB ILE A 75 3.231 -4.089 2.236 1.00 0.00 C ATOM 1137 CG1 ILE A 75 2.743 -5.149 3.233 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.098 -4.714 1.136 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.790 -5.699 4.199 1.00 0.00 C ATOM 0 H ILE A 75 5.062 -3.372 4.449 1.00 0.00 H new ATOM 0 HA ILE A 75 4.017 -2.129 2.009 1.00 0.00 H new ATOM 0 HB ILE A 75 2.314 -3.707 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.929 -4.720 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.325 -5.983 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.605 -5.605 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.237 -3.994 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.069 -4.988 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.329 -6.439 4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.596 -6.167 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.194 -4.884 4.800 1.00 0.00 H new ATOM 1151 N PRO A 76 1.911 -1.400 3.479 1.00 0.00 N ATOM 1152 CA PRO A 76 1.521 -1.053 2.119 1.00 0.00 C ATOM 1153 C PRO A 76 2.580 -0.166 1.480 1.00 0.00 C ATOM 1154 O PRO A 76 3.062 0.767 2.117 1.00 0.00 O ATOM 1155 CB PRO A 76 0.199 -0.288 2.236 1.00 0.00 C ATOM 1156 CG PRO A 76 0.239 0.290 3.648 1.00 0.00 C ATOM 1157 CD PRO A 76 1.006 -0.777 4.425 1.00 0.00 C ATOM 0 HA PRO A 76 1.415 -1.942 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.123 0.497 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.658 -0.947 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.746 1.255 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.762 0.444 4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.556 -0.333 5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.324 -1.512 4.852 1.00 0.00 H new ATOM 1165 N THR A 77 2.928 -0.453 0.226 1.00 0.00 N ATOM 1166 CA THR A 77 3.862 0.356 -0.542 1.00 0.00 C ATOM 1167 C THR A 77 3.210 0.578 -1.901 1.00 0.00 C ATOM 1168 O THR A 77 2.441 -0.265 -2.361 1.00 0.00 O ATOM 1169 CB THR A 77 5.259 -0.285 -0.584 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.815 -0.246 0.712 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.213 0.466 -1.508 1.00 0.00 C ATOM 0 H THR A 77 2.566 -1.258 -0.284 1.00 0.00 H new ATOM 0 HA THR A 77 4.051 1.326 -0.083 1.00 0.00 H new ATOM 0 HB THR A 77 5.139 -1.303 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.113 -1.144 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.186 -0.025 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.812 0.468 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.323 1.493 -1.160 1.00 0.00 H new ATOM 1179 N LEU A 78 3.455 1.740 -2.503 1.00 0.00 N ATOM 1180 CA LEU A 78 2.864 2.185 -3.752 1.00 0.00 C ATOM 1181 C LEU A 78 4.007 2.595 -4.676 1.00 0.00 C ATOM 1182 O LEU A 78 4.822 3.427 -4.279 1.00 0.00 O ATOM 1183 CB LEU A 78 1.959 3.398 -3.468 1.00 0.00 C ATOM 1184 CG LEU A 78 0.869 3.133 -2.414 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.583 4.393 -1.600 1.00 0.00 C ATOM 1186 CD2 LEU A 78 -0.437 2.715 -3.081 1.00 0.00 C ATOM 0 H LEU A 78 4.102 2.425 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 78 2.267 1.398 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.579 4.230 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.483 3.709 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 78 1.238 2.338 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.190 4.181 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.493 4.712 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.242 5.186 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.193 2.533 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.776 3.509 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.276 1.804 -3.657 1.00 0.00 H new ATOM 1198 N LEU A 79 4.083 2.024 -5.880 1.00 0.00 N ATOM 1199 CA LEU A 79 5.067 2.369 -6.903 1.00 0.00 C ATOM 1200 C LEU A 79 4.265 2.811 -8.119 1.00 0.00 C ATOM 1201 O LEU A 79 3.482 2.027 -8.652 1.00 0.00 O ATOM 1202 CB LEU A 79 5.947 1.171 -7.291 1.00 0.00 C ATOM 1203 CG LEU A 79 7.194 0.969 -6.417 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.853 0.490 -5.007 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.133 -0.054 -7.064 1.00 0.00 C ATOM 0 H LEU A 79 3.442 1.288 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 79 5.737 3.143 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.341 0.266 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.264 1.293 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 79 7.678 1.943 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.771 0.364 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.217 1.227 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.327 -0.463 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.013 -0.189 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.615 -1.007 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.440 0.305 -8.046 1.00 0.00 H new ATOM 1217 N LEU A 80 4.449 4.054 -8.561 1.00 0.00 N ATOM 1218 CA LEU A 80 3.744 4.576 -9.715 1.00 0.00 C ATOM 1219 C LEU A 80 4.610 4.336 -10.945 1.00 0.00 C ATOM 1220 O LEU A 80 5.504 5.120 -11.252 1.00 0.00 O ATOM 1221 CB LEU A 80 3.379 6.037 -9.456 1.00 0.00 C ATOM 1222 CG LEU A 80 2.581 6.719 -10.584 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.697 5.790 -11.428 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.641 7.730 -9.928 1.00 0.00 C ATOM 0 H LEU A 80 5.089 4.719 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 80 2.798 4.067 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.798 6.093 -8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.297 6.601 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 80 3.323 7.145 -11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.181 6.373 -12.191 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.318 5.033 -11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.963 5.303 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.057 8.236 -10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.969 7.212 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.226 8.465 -9.375 1.00 0.00 H new ATOM 1236 N PHE A 81 4.335 3.234 -11.641 1.00 0.00 N ATOM 1237 CA PHE A 81 5.040 2.817 -12.837 1.00 0.00 C ATOM 1238 C PHE A 81 4.423 3.505 -14.048 1.00 0.00 C ATOM 1239 O PHE A 81 3.391 3.054 -14.539 1.00 0.00 O ATOM 1240 CB PHE A 81 4.943 1.292 -12.990 1.00 0.00 C ATOM 1241 CG PHE A 81 5.920 0.510 -12.133 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.569 0.116 -10.832 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.155 0.104 -12.673 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.423 -0.723 -10.096 1.00 0.00 C ATOM 1245 CE2 PHE A 81 8.025 -0.708 -11.926 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.668 -1.102 -10.628 1.00 0.00 C ATOM 0 H PHE A 81 3.590 2.591 -11.374 1.00 0.00 H new ATOM 0 HA PHE A 81 6.091 3.096 -12.760 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.929 0.978 -12.741 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.109 1.033 -14.036 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.642 0.458 -10.396 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.435 0.419 -13.667 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.123 -1.077 -9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.965 -1.028 -12.350 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.349 -1.696 -10.037 1.00 0.00 H new ATOM 1256 N LYS A 82 5.064 4.554 -14.561 1.00 0.00 N ATOM 1257 CA LYS A 82 4.648 5.222 -15.781 1.00 0.00 C ATOM 1258 C LYS A 82 5.434 4.596 -16.925 1.00 0.00 C ATOM 1259 O LYS A 82 6.657 4.699 -16.979 1.00 0.00 O ATOM 1260 CB LYS A 82 4.872 6.734 -15.703 1.00 0.00 C ATOM 1261 CG LYS A 82 3.864 7.393 -14.755 1.00 0.00 C ATOM 1262 CD LYS A 82 3.982 8.925 -14.782 1.00 0.00 C ATOM 1263 CE LYS A 82 3.310 9.537 -16.021 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.525 10.994 -16.083 1.00 0.00 N ATOM 0 H LYS A 82 5.894 4.964 -14.133 1.00 0.00 H new ATOM 0 HA LYS A 82 3.578 5.090 -15.939 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.886 6.937 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.779 7.170 -16.698 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.853 7.100 -15.037 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.029 7.032 -13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.527 9.339 -13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.035 9.207 -14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.709 9.070 -16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.241 9.326 -15.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.752 11.436 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.544 11.383 -15.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.431 11.192 -16.554 1.00 0.00 H new ATOM 1278 N ASN A 83 4.734 3.907 -17.824 1.00 0.00 N ATOM 1279 CA ASN A 83 5.328 3.249 -18.976 1.00 0.00 C ATOM 1280 C ASN A 83 6.421 2.267 -18.549 1.00 0.00 C ATOM 1281 O ASN A 83 7.472 2.171 -19.181 1.00 0.00 O ATOM 1282 CB ASN A 83 5.824 4.300 -19.986 1.00 0.00 C ATOM 1283 CG ASN A 83 5.780 3.761 -21.410 1.00 0.00 C ATOM 1284 OD1 ASN A 83 5.032 4.270 -22.240 1.00 0.00 O ATOM 1285 ND2 ASN A 83 6.544 2.720 -21.710 1.00 0.00 N ATOM 0 H ASN A 83 3.722 3.791 -17.768 1.00 0.00 H new ATOM 0 HA ASN A 83 4.568 2.651 -19.479 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.207 5.196 -19.915 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.844 4.594 -19.737 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.519 2.323 -22.649 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.157 2.316 -21.002 1.00 0.00 H new ATOM 1292 N GLY A 84 6.174 1.541 -17.456 1.00 0.00 N ATOM 1293 CA GLY A 84 7.118 0.578 -16.911 1.00 0.00 C ATOM 1294 C GLY A 84 8.263 1.223 -16.122 1.00 0.00 C ATOM 1295 O GLY A 84 9.085 0.494 -15.571 1.00 0.00 O ATOM 0 H GLY A 84 5.306 1.610 -16.925 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.584 -0.114 -16.260 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.536 -0.011 -17.727 1.00 0.00 H new ATOM 1299 N GLU A 85 8.326 2.559 -16.026 1.00 0.00 N ATOM 1300 CA GLU A 85 9.364 3.270 -15.289 1.00 0.00 C ATOM 1301 C GLU A 85 8.771 3.840 -14.001 1.00 0.00 C ATOM 1302 O GLU A 85 7.749 4.520 -14.035 1.00 0.00 O ATOM 1303 CB GLU A 85 9.940 4.395 -16.157 1.00 0.00 C ATOM 1304 CG GLU A 85 10.615 3.822 -17.408 1.00 0.00 C ATOM 1305 CD GLU A 85 11.107 4.936 -18.326 1.00 0.00 C ATOM 1306 OE1 GLU A 85 10.308 5.359 -19.189 1.00 0.00 O ATOM 1307 OE2 GLU A 85 12.271 5.352 -18.139 1.00 0.00 O ATOM 0 H GLU A 85 7.645 3.178 -16.466 1.00 0.00 H new ATOM 0 HA GLU A 85 10.170 2.581 -15.035 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.144 5.080 -16.449 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.662 4.973 -15.580 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.454 3.191 -17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.911 3.187 -17.946 1.00 0.00 H new ATOM 1314 N VAL A 86 9.412 3.573 -12.864 1.00 0.00 N ATOM 1315 CA VAL A 86 8.959 4.082 -11.575 1.00 0.00 C ATOM 1316 C VAL A 86 9.106 5.608 -11.569 1.00 0.00 C ATOM 1317 O VAL A 86 10.219 6.122 -11.499 1.00 0.00 O ATOM 1318 CB VAL A 86 9.738 3.427 -10.420 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.234 3.945 -9.063 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.568 1.903 -10.441 1.00 0.00 C ATOM 0 H VAL A 86 10.255 3.001 -12.812 1.00 0.00 H new ATOM 0 HA VAL A 86 7.910 3.828 -11.426 1.00 0.00 H new ATOM 0 HB VAL A 86 10.789 3.684 -10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.797 3.470 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.371 5.025 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.176 3.708 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.128 1.463 -9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.512 1.653 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.943 1.508 -11.385 1.00 0.00 H new ATOM 1330 N ALA A 87 7.984 6.327 -11.636 1.00 0.00 N ATOM 1331 CA ALA A 87 7.958 7.782 -11.623 1.00 0.00 C ATOM 1332 C ALA A 87 8.126 8.280 -10.189 1.00 0.00 C ATOM 1333 O ALA A 87 8.860 9.233 -9.940 1.00 0.00 O ATOM 1334 CB ALA A 87 6.638 8.269 -12.224 1.00 0.00 C ATOM 0 H ALA A 87 7.058 5.905 -11.702 1.00 0.00 H new ATOM 0 HA ALA A 87 8.778 8.178 -12.222 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.615 9.359 -12.216 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.552 7.912 -13.250 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.806 7.884 -11.635 1.00 0.00 H new ATOM 1340 N ALA A 88 7.468 7.609 -9.239 1.00 0.00 N ATOM 1341 CA ALA A 88 7.557 7.913 -7.820 1.00 0.00 C ATOM 1342 C ALA A 88 7.103 6.691 -7.037 1.00 0.00 C ATOM 1343 O ALA A 88 6.564 5.739 -7.611 1.00 0.00 O ATOM 1344 CB ALA A 88 6.687 9.122 -7.463 1.00 0.00 C ATOM 0 H ALA A 88 6.848 6.825 -9.446 1.00 0.00 H new ATOM 0 HA ALA A 88 8.588 8.161 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.771 9.329 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.022 9.991 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.647 8.908 -7.710 1.00 0.00 H new ATOM 1350 N THR A 89 7.301 6.728 -5.721 1.00 0.00 N ATOM 1351 CA THR A 89 6.903 5.664 -4.826 1.00 0.00 C ATOM 1352 C THR A 89 6.603 6.254 -3.450 1.00 0.00 C ATOM 1353 O THR A 89 7.021 7.373 -3.156 1.00 0.00 O ATOM 1354 CB THR A 89 7.973 4.561 -4.803 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.556 3.487 -3.987 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.334 5.057 -4.301 1.00 0.00 C ATOM 0 H THR A 89 7.749 7.513 -5.248 1.00 0.00 H new ATOM 0 HA THR A 89 5.988 5.187 -5.177 1.00 0.00 H new ATOM 0 HB THR A 89 8.093 4.236 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.587 3.369 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.047 4.232 -4.308 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.694 5.853 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.230 5.438 -3.285 1.00 0.00 H new ATOM 1364 N LYS A 90 5.859 5.507 -2.633 1.00 0.00 N ATOM 1365 CA LYS A 90 5.440 5.881 -1.295 1.00 0.00 C ATOM 1366 C LYS A 90 5.354 4.596 -0.472 1.00 0.00 C ATOM 1367 O LYS A 90 4.742 3.631 -0.921 1.00 0.00 O ATOM 1368 CB LYS A 90 4.086 6.605 -1.400 1.00 0.00 C ATOM 1369 CG LYS A 90 3.267 6.659 -0.105 1.00 0.00 C ATOM 1370 CD LYS A 90 3.945 7.430 1.030 1.00 0.00 C ATOM 1371 CE LYS A 90 3.021 7.500 2.250 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.778 7.546 3.513 1.00 0.00 N ATOM 0 H LYS A 90 5.520 4.584 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 90 6.139 6.560 -0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.264 7.625 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.489 6.113 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.302 7.119 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.068 5.641 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.881 6.942 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.195 8.437 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.387 8.384 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.360 6.633 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.115 7.593 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.364 6.691 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.390 8.387 3.521 1.00 0.00 H new ATOM 1386 N VAL A 91 5.952 4.590 0.721 1.00 0.00 N ATOM 1387 CA VAL A 91 5.935 3.481 1.667 1.00 0.00 C ATOM 1388 C VAL A 91 5.031 3.910 2.825 1.00 0.00 C ATOM 1389 O VAL A 91 5.160 5.035 3.307 1.00 0.00 O ATOM 1390 CB VAL A 91 7.373 3.198 2.146 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.425 2.059 3.173 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.283 2.832 0.965 1.00 0.00 C ATOM 0 H VAL A 91 6.481 5.391 1.065 1.00 0.00 H new ATOM 0 HA VAL A 91 5.556 2.562 1.219 1.00 0.00 H new ATOM 0 HB VAL A 91 7.725 4.115 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.457 1.895 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.824 2.325 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.031 1.147 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.292 2.637 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.897 1.940 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.307 3.658 0.255 1.00 0.00 H new ATOM 1402 N GLY A 92 4.112 3.044 3.261 1.00 0.00 N ATOM 1403 CA GLY A 92 3.174 3.342 4.330 1.00 0.00 C ATOM 1404 C GLY A 92 1.865 3.897 3.769 1.00 0.00 C ATOM 1405 O GLY A 92 1.736 4.150 2.572 1.00 0.00 O ATOM 0 H GLY A 92 4.003 2.107 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.973 2.438 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.616 4.065 5.016 1.00 0.00 H new ATOM 1409 N ALA A 93 0.879 4.075 4.653 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.430 4.598 4.286 1.00 0.00 C ATOM 1411 C ALA A 93 -0.364 6.109 4.038 1.00 0.00 C ATOM 1412 O ALA A 93 0.637 6.759 4.337 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.439 4.253 5.386 1.00 0.00 C ATOM 0 H ALA A 93 0.972 3.858 5.645 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.756 4.135 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.420 4.643 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.497 3.171 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.118 4.700 6.327 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.453 6.665 3.504 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.618 8.072 3.188 1.00 0.00 C ATOM 1421 C LEU A 94 -3.112 8.340 3.042 1.00 0.00 C ATOM 1422 O LEU A 94 -3.891 7.394 2.914 1.00 0.00 O ATOM 1423 CB LEU A 94 -0.838 8.460 1.919 1.00 0.00 C ATOM 1424 CG LEU A 94 -1.362 7.876 0.594 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.550 8.456 -0.568 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -1.233 6.355 0.499 1.00 0.00 C ATOM 0 H LEU A 94 -2.279 6.114 3.272 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.209 8.689 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.836 9.547 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.199 8.148 2.045 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.419 8.138 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.917 8.046 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.655 9.541 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.501 8.195 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.622 6.016 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.184 6.073 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.801 5.891 1.305 1.00 0.00 H new ATOM 1438 N SER A 95 -3.518 9.611 3.065 1.00 0.00 N ATOM 1439 CA SER A 95 -4.914 9.983 2.925 1.00 0.00 C ATOM 1440 C SER A 95 -5.311 9.984 1.450 1.00 0.00 C ATOM 1441 O SER A 95 -4.458 10.028 0.562 1.00 0.00 O ATOM 1442 CB SER A 95 -5.123 11.376 3.531 1.00 0.00 C ATOM 1443 OG SER A 95 -4.470 12.343 2.731 1.00 0.00 O ATOM 0 H SER A 95 -2.886 10.403 3.181 1.00 0.00 H new ATOM 0 HA SER A 95 -5.540 9.261 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.188 11.600 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.730 11.404 4.547 1.00 0.00 H new ATOM 0 HG SER A 95 -4.041 13.009 3.308 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.622 10.002 1.193 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.152 10.114 -0.155 1.00 0.00 C ATOM 1451 C LYS A 96 -6.602 11.396 -0.796 1.00 0.00 C ATOM 1452 O LYS A 96 -6.197 11.390 -1.954 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.687 10.102 -0.086 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.336 9.997 -1.471 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.856 9.838 -1.323 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.520 9.751 -2.699 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.984 9.631 -2.594 1.00 0.00 N ATOM 0 H LYS A 96 -7.338 9.939 1.916 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.843 9.274 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.013 9.263 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.033 11.011 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.110 10.888 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.923 9.146 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.080 8.940 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.264 10.683 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.269 10.638 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.123 8.892 -3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.404 9.660 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.226 8.729 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.357 10.419 -2.027 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.558 12.486 -0.021 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.030 13.766 -0.462 1.00 0.00 C ATOM 1473 C GLY A 97 -4.557 13.653 -0.855 1.00 0.00 C ATOM 1474 O GLY A 97 -4.186 13.997 -1.976 1.00 0.00 O ATOM 0 H GLY A 97 -6.895 12.496 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.609 14.127 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.141 14.502 0.335 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.708 13.157 0.052 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.288 13.002 -0.239 1.00 0.00 C ATOM 1480 C GLN A 98 -2.102 12.122 -1.477 1.00 0.00 C ATOM 1481 O GLN A 98 -1.300 12.452 -2.352 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.542 12.446 0.983 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.029 13.547 1.927 1.00 0.00 C ATOM 1484 CD GLN A 98 -2.133 14.428 2.507 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -2.671 14.139 3.571 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -2.487 15.513 1.826 1.00 0.00 N ATOM 0 H GLN A 98 -3.983 12.859 0.988 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.857 13.979 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.206 11.782 1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.699 11.844 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.480 13.083 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.322 14.176 1.386 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.026 15.734 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.220 16.125 2.186 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.852 11.020 -1.568 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.781 10.142 -2.724 1.00 0.00 C ATOM 1497 C LEU A 99 -3.159 10.924 -3.987 1.00 0.00 C ATOM 1498 O LEU A 99 -2.400 10.910 -4.950 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.609 8.871 -2.475 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.640 7.862 -3.632 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.254 7.471 -4.159 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.326 6.585 -3.133 1.00 0.00 C ATOM 0 H LEU A 99 -3.513 10.720 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.762 9.791 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.216 8.370 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.633 9.165 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.172 8.343 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.363 6.756 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.739 8.360 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.673 7.019 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.360 5.852 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.765 6.175 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.341 6.819 -2.812 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.279 11.653 -3.987 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.669 12.473 -5.130 1.00 0.00 C ATOM 1516 C LYS A 100 -3.546 13.427 -5.544 1.00 0.00 C ATOM 1517 O LYS A 100 -3.212 13.506 -6.727 1.00 0.00 O ATOM 1518 CB LYS A 100 -5.952 13.259 -4.832 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.183 12.368 -4.989 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.463 13.165 -4.725 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.672 12.328 -5.151 1.00 0.00 C ATOM 1522 NZ LYS A 100 -10.940 13.006 -4.827 1.00 0.00 N ATOM 0 H LYS A 100 -4.931 11.690 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.863 11.797 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.913 13.657 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.026 14.112 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.210 11.950 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.122 11.529 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.536 13.420 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.442 14.104 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.624 12.137 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.639 11.359 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.738 12.390 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.973 13.211 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.004 13.896 -5.362 1.00 0.00 H new ATOM 1536 N GLU A 101 -2.959 14.146 -4.582 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.873 15.077 -4.867 1.00 0.00 C ATOM 1538 C GLU A 101 -0.694 14.340 -5.508 1.00 0.00 C ATOM 1539 O GLU A 101 -0.197 14.751 -6.554 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.448 15.817 -3.592 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.541 16.756 -3.058 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.851 17.893 -4.027 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.988 18.792 -4.136 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.936 17.840 -4.642 1.00 0.00 O ATOM 0 H GLU A 101 -3.222 14.098 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.227 15.823 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.193 15.089 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.546 16.395 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.449 16.183 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.224 17.173 -2.102 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.259 13.241 -4.887 1.00 0.00 N ATOM 1552 CA PHE A 102 0.829 12.403 -5.382 1.00 0.00 C ATOM 1553 C PHE A 102 0.556 11.990 -6.833 1.00 0.00 C ATOM 1554 O PHE A 102 1.393 12.176 -7.718 1.00 0.00 O ATOM 1555 CB PHE A 102 0.973 11.195 -4.448 1.00 0.00 C ATOM 1556 CG PHE A 102 1.976 10.134 -4.860 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.288 10.174 -4.352 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.535 8.993 -5.558 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.118 9.043 -4.455 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.367 7.866 -5.666 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.639 7.875 -5.072 1.00 0.00 C ATOM 0 H PHE A 102 -0.661 12.905 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 102 1.771 12.951 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.250 11.560 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.004 10.721 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.658 11.074 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.555 8.984 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.123 9.072 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.028 6.994 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.249 6.984 -5.089 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.634 11.443 -7.084 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.043 11.016 -8.410 1.00 0.00 C ATOM 1573 C LEU A 103 -0.987 12.180 -9.386 1.00 0.00 C ATOM 1574 O LEU A 103 -0.352 12.064 -10.427 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.453 10.423 -8.371 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.508 9.103 -7.598 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.969 8.689 -7.431 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.679 8.012 -8.277 1.00 0.00 C ATOM 0 H LEU A 103 -1.340 11.286 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.352 10.245 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.133 11.139 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.804 10.260 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.064 9.246 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.020 7.749 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.505 9.461 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.425 8.561 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.744 7.091 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.063 7.836 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.638 8.330 -8.337 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.635 13.300 -9.059 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.639 14.476 -9.917 1.00 0.00 C ATOM 1592 C ASP A 104 -0.211 14.895 -10.263 1.00 0.00 C ATOM 1593 O ASP A 104 0.114 15.071 -11.434 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.407 15.616 -9.241 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.410 16.859 -10.125 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.260 16.897 -11.042 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.558 17.737 -9.875 1.00 0.00 O ATOM 0 H ASP A 104 -2.167 13.413 -8.196 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.145 14.231 -10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.432 15.303 -9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.951 15.849 -8.279 1.00 0.00 H new ATOM 1602 N ALA A 105 0.642 15.025 -9.244 1.00 0.00 N ATOM 1603 CA ALA A 105 2.039 15.399 -9.412 1.00 0.00 C ATOM 1604 C ALA A 105 2.766 14.451 -10.371 1.00 0.00 C ATOM 1605 O ALA A 105 3.600 14.892 -11.157 1.00 0.00 O ATOM 1606 CB ALA A 105 2.729 15.438 -8.047 1.00 0.00 C ATOM 0 H ALA A 105 0.375 14.871 -8.272 1.00 0.00 H new ATOM 0 HA ALA A 105 2.079 16.393 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.774 15.718 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.233 16.170 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.672 14.454 -7.582 1.00 0.00 H new ATOM 1612 N ASN A 106 2.450 13.152 -10.322 1.00 0.00 N ATOM 1613 CA ASN A 106 3.104 12.168 -11.178 1.00 0.00 C ATOM 1614 C ASN A 106 2.533 12.213 -12.592 1.00 0.00 C ATOM 1615 O ASN A 106 3.289 12.202 -13.558 1.00 0.00 O ATOM 1616 CB ASN A 106 2.927 10.754 -10.614 1.00 0.00 C ATOM 1617 CG ASN A 106 3.982 10.417 -9.570 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.958 9.744 -9.881 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.790 10.856 -8.331 1.00 0.00 N ATOM 0 H ASN A 106 1.745 12.762 -9.697 1.00 0.00 H new ATOM 0 HA ASN A 106 4.165 12.415 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.936 10.663 -10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.979 10.031 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.467 10.635 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.965 11.414 -8.110 1.00 0.00 H new ATOM 1626 N LEU A 107 1.207 12.252 -12.727 1.00 0.00 N ATOM 1627 CA LEU A 107 0.538 12.288 -14.016 1.00 0.00 C ATOM 1628 C LEU A 107 0.963 13.547 -14.774 1.00 0.00 C ATOM 1629 O LEU A 107 1.326 13.473 -15.945 1.00 0.00 O ATOM 1630 CB LEU A 107 -0.981 12.220 -13.801 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.447 10.847 -13.281 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -2.862 10.971 -12.708 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.447 9.783 -14.386 1.00 0.00 C ATOM 0 H LEU A 107 0.566 12.259 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 107 0.824 11.428 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.278 12.993 -13.092 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.487 12.439 -14.741 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.745 10.532 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.192 10.000 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.861 11.689 -11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.542 11.313 -13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.782 8.831 -13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.120 10.090 -15.186 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.438 9.671 -14.783 1.00 0.00 H new ATOM 1645 N ALA A 108 0.952 14.699 -14.099 1.00 0.00 N ATOM 1646 CA ALA A 108 1.380 15.961 -14.679 1.00 0.00 C ATOM 1647 C ALA A 108 2.845 15.864 -15.103 1.00 0.00 C ATOM 1648 O ALA A 108 3.361 16.764 -15.766 1.00 0.00 O ATOM 1649 CB ALA A 108 1.170 17.089 -13.665 1.00 0.00 C ATOM 0 H ALA A 108 0.643 14.776 -13.130 1.00 0.00 H new ATOM 0 HA ALA A 108 0.784 16.182 -15.565 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.491 18.035 -14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.114 17.151 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.755 16.886 -12.768 1.00 0.00 H new