USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 654 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 57 ASN : amide:sc= -0.911 X(o=-1.2,f=-1.3) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.317 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= -0.0298 USER MOD Single : A 4 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.061) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.756 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= -5.42! (180deg=-8.11!) USER MOD Single : A 25 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 170:sc= -1.52 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.36) USER MOD Single : A 49 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.6!) USER MOD Single : A 50 GLN : amide:sc= -0.878 K(o=-0.88,f=-2.1) USER MOD Single : A 61 SER OG : rot -8:sc= 1.19 USER MOD Single : A 62 SER OG : rot -145:sc= -2.42! USER MOD Single : A 65 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0721 F(o=-0.71,f=-0.072) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.07 F(o=-1.8,f=-1.1) USER MOD Single : A 77 TYR OH : rot 180:sc= -2.34! USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -2.15 (180deg=-3.42!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -160:sc= 0.575 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -15.992 3.792 3.790 1.00 0.00 N ATOM 44 CA LEU A 3 -14.774 3.440 3.068 1.00 0.00 C ATOM 45 C LEU A 3 -13.537 3.980 3.798 1.00 0.00 C ATOM 46 O LEU A 3 -12.859 4.899 3.317 1.00 0.00 O ATOM 47 CB LEU A 3 -14.830 3.979 1.630 1.00 0.00 C ATOM 48 CG LEU A 3 -15.875 3.334 0.719 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.031 4.145 -0.555 1.00 0.00 C ATOM 50 CD2 LEU A 3 -15.493 1.898 0.395 1.00 0.00 C ATOM 0 HA LEU A 3 -14.699 2.353 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.023 5.051 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.848 3.849 1.175 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.831 3.320 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.778 3.676 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.351 5.157 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.076 4.185 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.250 1.458 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.528 1.884 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.427 1.322 1.318 1.00 0.00 H new ATOM 62 N GLN A 4 -13.248 3.403 4.968 1.00 0.00 N ATOM 63 CA GLN A 4 -12.098 3.817 5.766 1.00 0.00 C ATOM 64 C GLN A 4 -10.835 3.092 5.303 1.00 0.00 C ATOM 65 O GLN A 4 -10.877 1.896 5.007 1.00 0.00 O ATOM 66 CB GLN A 4 -12.357 3.530 7.247 1.00 0.00 C ATOM 67 CG GLN A 4 -11.636 4.470 8.213 1.00 0.00 C ATOM 68 CD GLN A 4 -10.650 3.761 9.133 1.00 0.00 C ATOM 69 OE1 GLN A 4 -10.740 3.872 10.356 1.00 0.00 O ATOM 70 NE2 GLN A 4 -9.700 3.030 8.553 1.00 0.00 N ATOM 0 H GLN A 4 -13.796 2.648 5.381 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.950 4.889 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.429 3.591 7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.054 2.506 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.104 5.228 7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.376 4.991 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.658 2.962 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.014 2.538 9.126 1.00 0.00 H new ATOM 79 N VAL A 5 -9.717 3.824 5.254 1.00 0.00 N ATOM 80 CA VAL A 5 -8.430 3.256 4.840 1.00 0.00 C ATOM 81 C VAL A 5 -7.293 3.913 5.616 1.00 0.00 C ATOM 82 O VAL A 5 -7.260 5.138 5.757 1.00 0.00 O ATOM 83 CB VAL A 5 -8.162 3.434 3.321 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.974 2.588 2.879 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.390 3.085 2.492 1.00 0.00 C ATOM 0 H VAL A 5 -9.678 4.814 5.497 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.476 2.188 5.054 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.928 4.485 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.805 2.728 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.085 2.893 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.182 1.537 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.166 3.221 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.668 2.047 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.217 3.737 2.774 1.00 0.00 H new ATOM 95 N ASP A 6 -6.356 3.096 6.108 1.00 0.00 N ATOM 96 CA ASP A 6 -5.212 3.607 6.857 1.00 0.00 C ATOM 97 C ASP A 6 -4.036 2.650 6.757 1.00 0.00 C ATOM 98 O ASP A 6 -4.148 1.486 7.134 1.00 0.00 O ATOM 99 CB ASP A 6 -5.572 3.826 8.323 1.00 0.00 C ATOM 100 CG ASP A 6 -6.504 5.006 8.523 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.248 6.072 7.926 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.488 4.863 9.279 1.00 0.00 O ATOM 0 H ASP A 6 -6.370 2.082 6.000 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.931 4.565 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.042 2.925 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.660 3.986 8.898 1.00 0.00 H new ATOM 107 N ILE A 7 -2.911 3.151 6.248 1.00 0.00 N ATOM 108 CA ILE A 7 -1.705 2.338 6.092 1.00 0.00 C ATOM 109 C ILE A 7 -0.843 2.417 7.354 1.00 0.00 C ATOM 110 O ILE A 7 -0.693 3.489 7.945 1.00 0.00 O ATOM 111 CB ILE A 7 -0.883 2.771 4.848 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.789 2.818 3.610 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.289 1.820 4.608 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.117 3.394 2.381 1.00 0.00 C ATOM 0 H ILE A 7 -2.809 4.117 5.936 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.018 1.305 5.940 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.480 3.766 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.133 1.809 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.673 3.412 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.848 2.146 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.945 1.824 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.089 0.811 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.820 3.394 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.797 4.416 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.249 2.787 2.123 1.00 0.00 H new ATOM 126 N VAL A 8 -0.284 1.272 7.761 1.00 0.00 N ATOM 127 CA VAL A 8 0.559 1.194 8.956 1.00 0.00 C ATOM 128 C VAL A 8 1.947 0.633 8.589 1.00 0.00 C ATOM 129 O VAL A 8 2.026 -0.410 7.937 1.00 0.00 O ATOM 130 CB VAL A 8 -0.077 0.291 10.047 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.698 0.389 11.356 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.542 0.650 10.277 1.00 0.00 C ATOM 0 H VAL A 8 -0.402 0.382 7.276 1.00 0.00 H new ATOM 0 HA VAL A 8 0.655 2.204 9.354 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.028 -0.737 9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.232 -0.253 12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.727 0.069 11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.689 1.421 11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.959 0.000 11.046 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.616 1.688 10.600 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.099 0.518 9.349 1.00 0.00 H new ATOM 142 N PRO A 9 3.070 1.295 8.990 1.00 0.00 N ATOM 143 CA PRO A 9 3.082 2.548 9.772 1.00 0.00 C ATOM 144 C PRO A 9 2.819 3.774 8.898 1.00 0.00 C ATOM 145 O PRO A 9 2.891 3.690 7.671 1.00 0.00 O ATOM 146 CB PRO A 9 4.505 2.584 10.327 1.00 0.00 C ATOM 147 CG PRO A 9 5.318 1.921 9.272 1.00 0.00 C ATOM 148 CD PRO A 9 4.443 0.841 8.689 1.00 0.00 C ATOM 0 HA PRO A 9 2.305 2.571 10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.839 3.606 10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.576 2.055 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.619 2.635 8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.231 1.499 9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.602 0.734 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.651 -0.129 9.141 1.00 0.00 H new ATOM 156 N SER A 10 2.534 4.921 9.535 1.00 0.00 N ATOM 157 CA SER A 10 2.287 6.175 8.805 1.00 0.00 C ATOM 158 C SER A 10 3.552 6.601 8.058 1.00 0.00 C ATOM 159 O SER A 10 3.497 7.026 6.899 1.00 0.00 O ATOM 160 CB SER A 10 1.850 7.282 9.767 1.00 0.00 C ATOM 161 OG SER A 10 2.720 7.358 10.885 1.00 0.00 O ATOM 0 H SER A 10 2.469 5.006 10.549 1.00 0.00 H new ATOM 0 HA SER A 10 1.485 6.006 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.839 8.239 9.245 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.832 7.092 10.107 1.00 0.00 H new ATOM 0 HG SER A 10 2.421 8.074 11.484 1.00 0.00 H new ATOM 167 N GLN A 11 4.697 6.444 8.734 1.00 0.00 N ATOM 168 CA GLN A 11 5.998 6.762 8.162 1.00 0.00 C ATOM 169 C GLN A 11 6.961 5.615 8.464 1.00 0.00 C ATOM 170 O GLN A 11 7.308 5.386 9.627 1.00 0.00 O ATOM 171 CB GLN A 11 6.537 8.083 8.723 1.00 0.00 C ATOM 172 CG GLN A 11 6.528 8.158 10.241 1.00 0.00 C ATOM 173 CD GLN A 11 6.562 9.588 10.753 1.00 0.00 C ATOM 174 OE1 GLN A 11 5.531 10.144 11.132 1.00 0.00 O ATOM 175 NE2 GLN A 11 7.747 10.197 10.766 1.00 0.00 N ATOM 0 H GLN A 11 4.741 6.093 9.691 1.00 0.00 H new ATOM 0 HA GLN A 11 5.898 6.883 7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.557 8.227 8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.942 8.905 8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.636 7.661 10.621 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.387 7.614 10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.578 9.702 10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.823 11.158 11.098 1.00 0.00 H new ATOM 184 N GLY A 12 7.353 4.868 7.421 1.00 0.00 N ATOM 185 CA GLY A 12 8.235 3.712 7.609 1.00 0.00 C ATOM 186 C GLY A 12 9.642 3.901 7.070 1.00 0.00 C ATOM 187 O GLY A 12 9.866 3.770 5.867 1.00 0.00 O ATOM 0 H GLY A 12 7.077 5.041 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.294 3.485 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.786 2.846 7.123 1.00 0.00 H new ATOM 191 N GLU A 13 10.595 4.173 7.969 1.00 0.00 N ATOM 192 CA GLU A 13 11.996 4.347 7.586 1.00 0.00 C ATOM 193 C GLU A 13 12.714 2.993 7.582 1.00 0.00 C ATOM 194 O GLU A 13 12.535 2.193 8.502 1.00 0.00 O ATOM 195 CB GLU A 13 12.694 5.313 8.546 1.00 0.00 C ATOM 196 CG GLU A 13 12.390 6.777 8.268 1.00 0.00 C ATOM 197 CD GLU A 13 12.559 7.653 9.495 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.648 7.657 10.351 1.00 0.00 O ATOM 199 OE2 GLU A 13 13.601 8.333 9.601 1.00 0.00 O ATOM 0 H GLU A 13 10.418 4.277 8.968 1.00 0.00 H new ATOM 0 HA GLU A 13 12.034 4.768 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.395 5.076 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.771 5.157 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.048 7.137 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.368 6.868 7.899 1.00 0.00 H new ATOM 206 N ILE A 14 13.504 2.733 6.532 1.00 0.00 N ATOM 207 CA ILE A 14 14.227 1.462 6.392 1.00 0.00 C ATOM 208 C ILE A 14 15.579 1.686 5.689 1.00 0.00 C ATOM 209 O ILE A 14 15.796 2.721 5.064 1.00 0.00 O ATOM 210 CB ILE A 14 13.337 0.440 5.596 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.096 0.069 6.429 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.091 -0.831 5.175 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.897 0.953 6.162 1.00 0.00 C ATOM 0 H ILE A 14 13.659 3.388 5.765 1.00 0.00 H new ATOM 0 HA ILE A 14 14.433 1.051 7.380 1.00 0.00 H new ATOM 0 HB ILE A 14 13.038 0.938 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.826 -0.966 6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.350 0.126 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.416 -1.491 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.930 -0.561 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.463 -1.344 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.062 0.631 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.148 1.987 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.616 0.878 5.111 1.00 0.00 H new ATOM 225 N SER A 15 16.481 0.702 5.792 1.00 0.00 N ATOM 226 CA SER A 15 17.793 0.782 5.150 1.00 0.00 C ATOM 227 C SER A 15 17.788 -0.050 3.867 1.00 0.00 C ATOM 228 O SER A 15 17.017 -1.012 3.740 1.00 0.00 O ATOM 229 CB SER A 15 18.904 0.297 6.096 1.00 0.00 C ATOM 230 OG SER A 15 18.396 -0.558 7.106 1.00 0.00 O ATOM 0 H SER A 15 16.323 -0.159 6.315 1.00 0.00 H new ATOM 0 HA SER A 15 17.996 1.825 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.666 -0.230 5.522 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.390 1.157 6.557 1.00 0.00 H new ATOM 0 HG SER A 15 19.129 -0.849 7.688 1.00 0.00 H new ATOM 236 N VAL A 16 18.663 0.311 2.920 1.00 0.00 N ATOM 237 CA VAL A 16 18.767 -0.405 1.645 1.00 0.00 C ATOM 238 C VAL A 16 19.208 -1.848 1.891 1.00 0.00 C ATOM 239 O VAL A 16 20.061 -2.104 2.746 1.00 0.00 O ATOM 240 CB VAL A 16 19.748 0.304 0.668 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.800 -0.391 -0.702 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.363 1.774 0.511 1.00 0.00 C ATOM 0 H VAL A 16 19.309 1.095 3.014 1.00 0.00 H new ATOM 0 HA VAL A 16 17.782 -0.405 1.178 1.00 0.00 H new ATOM 0 HB VAL A 16 20.747 0.240 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.497 0.138 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.132 -1.421 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.807 -0.383 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.056 2.260 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.350 1.844 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.407 2.267 1.482 1.00 0.00 H new ATOM 252 N GLY A 17 18.586 -2.780 1.167 1.00 0.00 N ATOM 253 CA GLY A 17 18.883 -4.191 1.348 1.00 0.00 C ATOM 254 C GLY A 17 17.959 -4.858 2.368 1.00 0.00 C ATOM 255 O GLY A 17 17.986 -6.082 2.510 1.00 0.00 O ATOM 0 H GLY A 17 17.881 -2.580 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.792 -4.704 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.918 -4.302 1.672 1.00 0.00 H new ATOM 259 N GLU A 18 17.129 -4.060 3.072 1.00 0.00 N ATOM 260 CA GLU A 18 16.194 -4.590 4.061 1.00 0.00 C ATOM 261 C GLU A 18 14.793 -4.610 3.472 1.00 0.00 C ATOM 262 O GLU A 18 14.496 -3.839 2.555 1.00 0.00 O ATOM 263 CB GLU A 18 16.194 -3.729 5.328 1.00 0.00 C ATOM 264 CG GLU A 18 17.572 -3.387 5.857 1.00 0.00 C ATOM 265 CD GLU A 18 18.258 -4.567 6.517 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.066 -4.760 7.736 1.00 0.00 O ATOM 267 OE2 GLU A 18 18.987 -5.298 5.814 1.00 0.00 O ATOM 0 H GLU A 18 17.095 -3.046 2.967 1.00 0.00 H new ATOM 0 HA GLU A 18 16.506 -5.601 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.658 -2.803 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.639 -4.252 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.191 -3.025 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.488 -2.573 6.576 1.00 0.00 H new ATOM 274 N SER A 19 13.930 -5.483 3.999 1.00 0.00 N ATOM 275 CA SER A 19 12.556 -5.585 3.513 1.00 0.00 C ATOM 276 C SER A 19 11.622 -4.695 4.335 1.00 0.00 C ATOM 277 O SER A 19 11.970 -4.280 5.442 1.00 0.00 O ATOM 278 CB SER A 19 12.095 -7.042 3.502 1.00 0.00 C ATOM 279 OG SER A 19 12.269 -7.648 4.771 1.00 0.00 O ATOM 0 H SER A 19 14.159 -6.125 4.758 1.00 0.00 H new ATOM 0 HA SER A 19 12.522 -5.225 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.045 -7.091 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.657 -7.598 2.751 1.00 0.00 H new ATOM 0 HG SER A 19 11.964 -8.579 4.734 1.00 0.00 H new ATOM 285 N LYS A 20 10.460 -4.362 3.761 1.00 0.00 N ATOM 286 CA LYS A 20 9.498 -3.466 4.414 1.00 0.00 C ATOM 287 C LYS A 20 8.077 -3.687 3.893 1.00 0.00 C ATOM 288 O LYS A 20 7.818 -3.499 2.703 1.00 0.00 O ATOM 289 CB LYS A 20 9.907 -2.004 4.147 1.00 0.00 C ATOM 290 CG LYS A 20 10.111 -1.700 2.661 1.00 0.00 C ATOM 291 CD LYS A 20 11.218 -0.679 2.399 1.00 0.00 C ATOM 292 CE LYS A 20 10.661 0.715 2.154 1.00 0.00 C ATOM 293 NZ LYS A 20 10.245 0.943 0.725 1.00 0.00 N ATOM 0 H LYS A 20 10.163 -4.700 2.845 1.00 0.00 H new ATOM 0 HA LYS A 20 9.507 -3.682 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.140 -1.340 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.829 -1.787 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.349 -2.626 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.176 -1.328 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.897 -0.654 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.803 -0.993 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.803 0.876 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.414 1.454 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.563 1.884 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.675 0.216 0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.209 0.886 0.652 1.00 0.00 H new ATOM 307 N PHE A 21 7.149 -4.058 4.792 1.00 0.00 N ATOM 308 CA PHE A 21 5.745 -4.267 4.412 1.00 0.00 C ATOM 309 C PHE A 21 4.844 -3.242 5.087 1.00 0.00 C ATOM 310 O PHE A 21 5.047 -2.903 6.255 1.00 0.00 O ATOM 311 CB PHE A 21 5.266 -5.686 4.739 1.00 0.00 C ATOM 312 CG PHE A 21 5.347 -6.060 6.185 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.316 -5.753 7.061 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.457 -6.727 6.661 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.398 -6.105 8.393 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.548 -7.084 7.994 1.00 0.00 C ATOM 317 CZ PHE A 21 5.517 -6.772 8.861 1.00 0.00 C ATOM 0 H PHE A 21 7.346 -4.218 5.780 1.00 0.00 H new ATOM 0 HA PHE A 21 5.685 -4.137 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.232 -5.790 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.858 -6.396 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.441 -5.234 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.263 -6.973 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.591 -5.861 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.422 -7.605 8.357 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.585 -7.049 9.903 1.00 0.00 H new ATOM 327 N PHE A 22 3.851 -2.748 4.341 1.00 0.00 N ATOM 328 CA PHE A 22 2.910 -1.750 4.862 1.00 0.00 C ATOM 329 C PHE A 22 1.490 -2.312 4.881 1.00 0.00 C ATOM 330 O PHE A 22 0.890 -2.569 3.838 1.00 0.00 O ATOM 331 CB PHE A 22 3.022 -0.466 4.040 1.00 0.00 C ATOM 332 CG PHE A 22 4.405 0.117 4.126 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.415 -0.340 3.294 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.706 1.085 5.069 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.699 0.160 3.401 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.987 1.595 5.176 1.00 0.00 C ATOM 337 CZ PHE A 22 6.986 1.129 4.341 1.00 0.00 C ATOM 0 H PHE A 22 3.678 -3.023 3.374 1.00 0.00 H new ATOM 0 HA PHE A 22 3.162 -1.506 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.777 -0.675 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.295 0.263 4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.196 -1.095 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.931 1.446 5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.478 -0.207 2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.207 2.356 5.910 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.988 1.522 4.424 1.00 0.00 H new ATOM 347 N LEU A 23 0.984 -2.543 6.095 1.00 0.00 N ATOM 348 CA LEU A 23 -0.340 -3.136 6.299 1.00 0.00 C ATOM 349 C LEU A 23 -1.482 -2.135 6.123 1.00 0.00 C ATOM 350 O LEU A 23 -1.711 -1.288 6.986 1.00 0.00 O ATOM 351 CB LEU A 23 -0.395 -3.752 7.703 1.00 0.00 C ATOM 352 CG LEU A 23 -1.547 -4.718 7.968 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.586 -5.822 6.919 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.414 -5.316 9.360 1.00 0.00 C ATOM 0 H LEU A 23 1.478 -2.325 6.961 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.480 -3.899 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.542 -4.278 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.452 -2.943 8.431 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.483 -4.162 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.416 -6.496 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.720 -5.381 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.650 -6.380 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.240 -6.004 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.470 -5.855 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.437 -4.518 10.102 1.00 0.00 H new ATOM 366 N CYS A 24 -2.218 -2.260 5.009 1.00 0.00 N ATOM 367 CA CYS A 24 -3.351 -1.381 4.727 1.00 0.00 C ATOM 368 C CYS A 24 -4.643 -1.952 5.301 1.00 0.00 C ATOM 369 O CYS A 24 -5.200 -2.915 4.761 1.00 0.00 O ATOM 370 CB CYS A 24 -3.509 -1.163 3.222 1.00 0.00 C ATOM 371 SG CYS A 24 -4.598 0.230 2.786 1.00 0.00 S ATOM 0 H CYS A 24 -2.045 -2.963 4.291 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.149 -0.422 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.525 -0.993 2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.904 -2.074 2.773 1.00 0.00 H new ATOM 376 N GLN A 25 -5.119 -1.343 6.391 1.00 0.00 N ATOM 377 CA GLN A 25 -6.354 -1.765 7.046 1.00 0.00 C ATOM 378 C GLN A 25 -7.518 -0.924 6.539 1.00 0.00 C ATOM 379 O GLN A 25 -7.306 0.115 5.904 1.00 0.00 O ATOM 380 CB GLN A 25 -6.231 -1.626 8.565 1.00 0.00 C ATOM 381 CG GLN A 25 -5.419 -2.733 9.217 1.00 0.00 C ATOM 382 CD GLN A 25 -4.952 -2.363 10.613 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.647 -1.651 11.338 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.773 -2.843 11.003 1.00 0.00 N ATOM 0 H GLN A 25 -4.661 -0.550 6.839 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.536 -2.813 6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.771 -0.665 8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.230 -1.615 9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.021 -3.640 9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.553 -2.959 8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.227 -3.430 10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.415 -2.624 11.933 1.00 0.00 H new ATOM 393 N VAL A 26 -8.749 -1.377 6.811 1.00 0.00 N ATOM 394 CA VAL A 26 -9.939 -0.658 6.360 1.00 0.00 C ATOM 395 C VAL A 26 -11.064 -0.691 7.403 1.00 0.00 C ATOM 396 O VAL A 26 -10.973 -1.398 8.409 1.00 0.00 O ATOM 397 CB VAL A 26 -10.453 -1.228 5.006 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.347 -1.203 3.959 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.998 -2.651 5.145 1.00 0.00 C ATOM 0 H VAL A 26 -8.942 -2.230 7.336 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.644 0.382 6.220 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.274 -0.586 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.726 -1.605 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.014 -0.176 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.508 -1.809 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.344 -3.004 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.209 -3.309 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.829 -2.655 5.850 1.00 0.00 H new ATOM 409 N ALA A 27 -12.131 0.061 7.125 1.00 0.00 N ATOM 410 CA ALA A 27 -13.298 0.113 8.003 1.00 0.00 C ATOM 411 C ALA A 27 -14.519 0.597 7.222 1.00 0.00 C ATOM 412 O ALA A 27 -14.764 1.803 7.122 1.00 0.00 O ATOM 413 CB ALA A 27 -13.037 0.998 9.220 1.00 0.00 C ATOM 0 H ALA A 27 -12.209 0.645 6.293 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.497 -0.893 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.924 1.016 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.195 0.599 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.806 2.011 8.890 1.00 0.00 H new ATOM 504 N ASP A 34 -12.716 -3.101 -2.937 1.00 0.00 N ATOM 505 CA ASP A 34 -11.478 -3.587 -3.544 1.00 0.00 C ATOM 506 C ASP A 34 -10.289 -2.786 -3.024 1.00 0.00 C ATOM 507 O ASP A 34 -10.477 -1.732 -2.418 1.00 0.00 O ATOM 508 CB ASP A 34 -11.566 -3.461 -5.068 1.00 0.00 C ATOM 509 CG ASP A 34 -10.546 -4.321 -5.787 1.00 0.00 C ATOM 510 OD1 ASP A 34 -10.282 -5.448 -5.317 1.00 0.00 O ATOM 511 OD2 ASP A 34 -10.012 -3.868 -6.822 1.00 0.00 O ATOM 0 HA ASP A 34 -11.339 -4.635 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.567 -3.743 -5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.420 -2.419 -5.351 1.00 0.00 H new ATOM 516 N ILE A 35 -9.069 -3.291 -3.260 1.00 0.00 N ATOM 517 CA ILE A 35 -7.840 -2.621 -2.812 1.00 0.00 C ATOM 518 C ILE A 35 -6.861 -2.428 -3.986 1.00 0.00 C ATOM 519 O ILE A 35 -6.840 -3.224 -4.926 1.00 0.00 O ATOM 520 CB ILE A 35 -7.151 -3.426 -1.669 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.133 -3.657 -0.511 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.885 -2.725 -1.161 1.00 0.00 C ATOM 523 CD1 ILE A 35 -9.103 -4.801 -0.742 1.00 0.00 C ATOM 0 H ILE A 35 -8.907 -4.165 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.119 -1.641 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.851 -4.390 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.566 -3.853 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.700 -2.742 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.435 -3.318 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.174 -2.619 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.145 -1.739 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.762 -4.899 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.698 -4.599 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.546 -5.728 -0.880 1.00 0.00 H new ATOM 535 N SER A 36 -6.050 -1.363 -3.908 1.00 0.00 N ATOM 536 CA SER A 36 -5.059 -1.047 -4.939 1.00 0.00 C ATOM 537 C SER A 36 -3.839 -0.378 -4.305 1.00 0.00 C ATOM 538 O SER A 36 -3.921 0.103 -3.175 1.00 0.00 O ATOM 539 CB SER A 36 -5.665 -0.125 -5.998 1.00 0.00 C ATOM 540 OG SER A 36 -6.632 -0.808 -6.778 1.00 0.00 O ATOM 0 H SER A 36 -6.064 -0.702 -3.132 1.00 0.00 H new ATOM 0 HA SER A 36 -4.749 -1.975 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.126 0.736 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.876 0.258 -6.645 1.00 0.00 H new ATOM 0 HG SER A 36 -7.005 -0.196 -7.446 1.00 0.00 H new ATOM 546 N TRP A 37 -2.712 -0.347 -5.033 1.00 0.00 N ATOM 547 CA TRP A 37 -1.477 0.268 -4.524 1.00 0.00 C ATOM 548 C TRP A 37 -0.768 1.083 -5.602 1.00 0.00 C ATOM 549 O TRP A 37 -0.601 0.609 -6.727 1.00 0.00 O ATOM 550 CB TRP A 37 -0.512 -0.810 -3.997 1.00 0.00 C ATOM 551 CG TRP A 37 -0.803 -1.248 -2.592 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.609 -2.281 -2.214 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.291 -0.674 -1.377 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.635 -2.386 -0.846 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.838 -1.410 -0.309 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.573 0.390 -1.087 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.550 -1.119 1.024 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.855 0.681 0.238 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.295 -0.073 1.278 1.00 0.00 C ATOM 0 H TRP A 37 -2.631 -0.739 -5.971 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.764 0.936 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.557 -1.678 -4.655 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.507 -0.427 -4.044 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.149 -2.924 -2.893 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.163 -3.079 -0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.012 0.974 -1.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.979 -1.699 1.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.517 1.502 0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.535 0.177 2.301 1.00 0.00 H new ATOM 570 N PHE A 38 -0.321 2.302 -5.249 1.00 0.00 N ATOM 571 CA PHE A 38 0.400 3.158 -6.201 1.00 0.00 C ATOM 572 C PHE A 38 1.708 3.680 -5.625 1.00 0.00 C ATOM 573 O PHE A 38 1.709 4.452 -4.664 1.00 0.00 O ATOM 574 CB PHE A 38 -0.450 4.343 -6.665 1.00 0.00 C ATOM 575 CG PHE A 38 -1.746 3.942 -7.293 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.864 3.737 -6.513 1.00 0.00 C ATOM 577 CD2 PHE A 38 -1.838 3.764 -8.662 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.063 3.354 -7.089 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.028 3.381 -9.246 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.144 3.173 -8.457 1.00 0.00 C ATOM 0 H PHE A 38 -0.446 2.710 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 38 0.621 2.523 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.654 4.989 -5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.124 4.932 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.804 3.876 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.968 3.927 -9.281 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.934 3.197 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.087 3.244 -10.316 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.077 2.870 -8.908 1.00 0.00 H new ATOM 590 N SER A 39 2.827 3.267 -6.239 1.00 0.00 N ATOM 591 CA SER A 39 4.148 3.702 -5.814 1.00 0.00 C ATOM 592 C SER A 39 4.325 5.212 -6.029 1.00 0.00 C ATOM 593 O SER A 39 3.652 5.796 -6.910 1.00 0.00 O ATOM 594 CB SER A 39 5.243 2.948 -6.565 1.00 0.00 C ATOM 595 OG SER A 39 4.953 2.883 -7.949 1.00 0.00 O ATOM 0 H SER A 39 2.833 2.629 -7.035 1.00 0.00 H new ATOM 0 HA SER A 39 4.235 3.483 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.202 3.444 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.338 1.940 -6.162 1.00 0.00 H new ATOM 0 HG SER A 39 5.735 2.542 -8.431 1.00 0.00 H new ATOM 601 N PRO A 40 5.244 5.848 -5.220 1.00 0.00 N ATOM 602 CA PRO A 40 5.550 7.301 -5.258 1.00 0.00 C ATOM 603 C PRO A 40 5.924 7.863 -6.634 1.00 0.00 C ATOM 604 O PRO A 40 5.938 9.087 -6.805 1.00 0.00 O ATOM 605 CB PRO A 40 6.730 7.452 -4.272 1.00 0.00 C ATOM 606 CG PRO A 40 7.257 6.075 -4.088 1.00 0.00 C ATOM 607 CD PRO A 40 6.065 5.185 -4.180 1.00 0.00 C ATOM 0 HA PRO A 40 4.659 7.872 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.495 8.117 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.400 7.878 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.992 5.829 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.754 5.969 -3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.339 4.170 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.536 5.116 -3.229 1.00 0.00 H new ATOM 651 N LYS A 44 0.816 2.498 -10.431 1.00 0.00 N ATOM 652 CA LYS A 44 0.407 1.316 -9.671 1.00 0.00 C ATOM 653 C LYS A 44 1.532 0.280 -9.602 1.00 0.00 C ATOM 654 O LYS A 44 2.480 0.327 -10.389 1.00 0.00 O ATOM 655 CB LYS A 44 -0.850 0.689 -10.281 1.00 0.00 C ATOM 656 CG LYS A 44 -1.759 0.037 -9.248 1.00 0.00 C ATOM 657 CD LYS A 44 -3.021 -0.524 -9.887 1.00 0.00 C ATOM 658 CE LYS A 44 -3.830 -1.373 -8.911 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.701 -2.828 -9.201 1.00 0.00 N ATOM 0 HA LYS A 44 0.182 1.640 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.410 1.458 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.554 -0.058 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.220 -0.764 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.030 0.769 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.639 0.297 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.751 -1.127 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.495 -1.175 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.880 -1.084 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.265 -3.370 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.045 -3.022 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.703 -3.110 -9.127 1.00 0.00 H new ATOM 673 N LEU A 45 1.416 -0.655 -8.650 1.00 0.00 N ATOM 674 CA LEU A 45 2.407 -1.712 -8.455 1.00 0.00 C ATOM 675 C LEU A 45 1.780 -3.086 -8.703 1.00 0.00 C ATOM 676 O LEU A 45 0.672 -3.361 -8.234 1.00 0.00 O ATOM 677 CB LEU A 45 2.986 -1.612 -7.024 1.00 0.00 C ATOM 678 CG LEU A 45 4.424 -1.059 -6.893 1.00 0.00 C ATOM 679 CD1 LEU A 45 4.689 0.097 -7.852 1.00 0.00 C ATOM 680 CD2 LEU A 45 4.676 -0.610 -5.459 1.00 0.00 C ATOM 0 H LEU A 45 0.634 -0.697 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 45 3.219 -1.587 -9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.323 -0.980 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.962 -2.606 -6.577 1.00 0.00 H new ATOM 0 HG LEU A 45 5.109 -1.865 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.712 0.451 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.550 -0.243 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.994 0.910 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.691 -0.221 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.964 0.171 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.554 -1.458 -4.785 1.00 0.00 H new ATOM 692 N SER A 46 2.494 -3.940 -9.444 1.00 0.00 N ATOM 693 CA SER A 46 2.009 -5.281 -9.759 1.00 0.00 C ATOM 694 C SER A 46 2.299 -6.252 -8.602 1.00 0.00 C ATOM 695 O SER A 46 2.990 -5.887 -7.649 1.00 0.00 O ATOM 696 CB SER A 46 2.642 -5.779 -11.069 1.00 0.00 C ATOM 697 OG SER A 46 1.701 -5.750 -12.128 1.00 0.00 O ATOM 0 H SER A 46 3.410 -3.723 -9.836 1.00 0.00 H new ATOM 0 HA SER A 46 0.928 -5.238 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.500 -5.157 -11.323 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.014 -6.795 -10.935 1.00 0.00 H new ATOM 0 HG SER A 46 2.125 -6.069 -12.952 1.00 0.00 H new ATOM 703 N PRO A 47 1.763 -7.502 -8.657 1.00 0.00 N ATOM 704 CA PRO A 47 1.968 -8.499 -7.599 1.00 0.00 C ATOM 705 C PRO A 47 3.381 -9.083 -7.607 1.00 0.00 C ATOM 706 O PRO A 47 3.964 -9.319 -6.546 1.00 0.00 O ATOM 707 CB PRO A 47 0.918 -9.592 -7.911 1.00 0.00 C ATOM 708 CG PRO A 47 0.051 -9.020 -8.984 1.00 0.00 C ATOM 709 CD PRO A 47 0.911 -8.047 -9.729 1.00 0.00 C ATOM 0 HA PRO A 47 1.855 -8.061 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.397 -10.513 -8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.334 -9.839 -7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.318 -9.803 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.822 -8.524 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.498 -8.535 -10.507 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.320 -7.270 -10.215 1.00 0.00 H new ATOM 717 N ASN A 48 3.924 -9.322 -8.808 1.00 0.00 N ATOM 718 CA ASN A 48 5.267 -9.889 -8.946 1.00 0.00 C ATOM 719 C ASN A 48 6.023 -9.271 -10.132 1.00 0.00 C ATOM 720 O ASN A 48 6.218 -9.913 -11.170 1.00 0.00 O ATOM 721 CB ASN A 48 5.185 -11.414 -9.097 1.00 0.00 C ATOM 722 CG ASN A 48 4.453 -12.078 -7.941 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.057 -12.401 -6.918 1.00 0.00 O ATOM 724 ND2 ASN A 48 3.147 -12.288 -8.096 1.00 0.00 N ATOM 0 H ASN A 48 3.454 -9.132 -9.693 1.00 0.00 H new ATOM 0 HA ASN A 48 5.825 -9.651 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.677 -11.656 -10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.193 -11.823 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.610 -12.732 -7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.684 -12.005 -8.960 1.00 0.00 H new ATOM 731 N GLN A 49 6.471 -8.022 -9.958 1.00 0.00 N ATOM 732 CA GLN A 49 7.239 -7.313 -10.992 1.00 0.00 C ATOM 733 C GLN A 49 8.715 -7.303 -10.597 1.00 0.00 C ATOM 734 O GLN A 49 9.586 -7.641 -11.401 1.00 0.00 O ATOM 735 CB GLN A 49 6.729 -5.861 -11.236 1.00 0.00 C ATOM 736 CG GLN A 49 5.814 -5.273 -10.158 1.00 0.00 C ATOM 737 CD GLN A 49 6.573 -4.736 -8.955 1.00 0.00 C ATOM 738 OE1 GLN A 49 6.335 -5.160 -7.827 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.488 -3.795 -9.185 1.00 0.00 N ATOM 0 H GLN A 49 6.315 -7.479 -9.109 1.00 0.00 H new ATOM 0 HA GLN A 49 7.103 -7.846 -11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.595 -5.208 -11.343 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.195 -5.841 -12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.221 -4.469 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.115 -6.041 -9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.656 -3.469 -10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.020 -3.401 -8.409 1.00 0.00 H new ATOM 748 N GLN A 50 8.979 -6.923 -9.345 1.00 0.00 N ATOM 749 CA GLN A 50 10.338 -6.868 -8.809 1.00 0.00 C ATOM 750 C GLN A 50 10.298 -7.231 -7.312 1.00 0.00 C ATOM 751 O GLN A 50 9.369 -7.912 -6.873 1.00 0.00 O ATOM 752 CB GLN A 50 10.958 -5.466 -9.031 1.00 0.00 C ATOM 753 CG GLN A 50 10.650 -4.826 -10.382 1.00 0.00 C ATOM 754 CD GLN A 50 11.393 -5.482 -11.538 1.00 0.00 C ATOM 755 OE1 GLN A 50 12.366 -6.212 -11.336 1.00 0.00 O ATOM 756 NE2 GLN A 50 10.938 -5.227 -12.763 1.00 0.00 N ATOM 0 H GLN A 50 8.259 -6.646 -8.678 1.00 0.00 H new ATOM 0 HA GLN A 50 10.969 -7.586 -9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.605 -4.801 -8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.040 -5.543 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.578 -4.883 -10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.911 -3.768 -10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.130 -4.618 -12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.397 -5.641 -13.574 1.00 0.00 H new ATOM 765 N ARG A 51 11.291 -6.776 -6.525 1.00 0.00 N ATOM 766 CA ARG A 51 11.349 -7.053 -5.079 1.00 0.00 C ATOM 767 C ARG A 51 10.037 -6.712 -4.351 1.00 0.00 C ATOM 768 O ARG A 51 9.759 -7.269 -3.284 1.00 0.00 O ATOM 769 CB ARG A 51 12.505 -6.270 -4.450 1.00 0.00 C ATOM 770 CG ARG A 51 13.857 -6.552 -5.110 1.00 0.00 C ATOM 771 CD ARG A 51 14.453 -5.322 -5.795 1.00 0.00 C ATOM 772 NE ARG A 51 15.157 -5.677 -7.032 1.00 0.00 N ATOM 773 CZ ARG A 51 16.244 -6.460 -7.100 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.813 -6.962 -6.004 1.00 0.00 N ATOM 775 NH2 ARG A 51 16.770 -6.740 -8.284 1.00 0.00 N ATOM 0 H ARG A 51 12.068 -6.212 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 51 11.509 -8.125 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.291 -5.203 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.567 -6.516 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.555 -6.915 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.738 -7.349 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.659 -4.610 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.143 -4.825 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 51 14.792 -5.300 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.422 -6.753 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.639 -7.555 -6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.348 -6.361 -9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.597 -7.334 -8.347 1.00 0.00 H new ATOM 789 N ILE A 52 9.244 -5.797 -4.925 1.00 0.00 N ATOM 790 CA ILE A 52 7.972 -5.391 -4.326 1.00 0.00 C ATOM 791 C ILE A 52 6.877 -6.429 -4.602 1.00 0.00 C ATOM 792 O ILE A 52 6.468 -6.627 -5.747 1.00 0.00 O ATOM 793 CB ILE A 52 7.521 -3.991 -4.840 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.656 -2.967 -4.622 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.214 -3.531 -4.159 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.328 -1.554 -5.070 1.00 0.00 C ATOM 0 H ILE A 52 9.464 -5.326 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 52 8.129 -5.326 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 52 7.313 -4.064 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.912 -2.948 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.542 -3.307 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.930 -2.551 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.421 -4.248 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.367 -3.469 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.182 -0.904 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.103 -1.553 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.463 -1.188 -4.517 1.00 0.00 H new ATOM 808 N SER A 53 6.404 -7.084 -3.534 1.00 0.00 N ATOM 809 CA SER A 53 5.353 -8.096 -3.630 1.00 0.00 C ATOM 810 C SER A 53 4.114 -7.663 -2.837 1.00 0.00 C ATOM 811 O SER A 53 4.182 -7.494 -1.618 1.00 0.00 O ATOM 812 CB SER A 53 5.873 -9.434 -3.095 1.00 0.00 C ATOM 813 OG SER A 53 4.955 -10.482 -3.360 1.00 0.00 O ATOM 0 H SER A 53 6.740 -6.926 -2.584 1.00 0.00 H new ATOM 0 HA SER A 53 5.072 -8.210 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.834 -9.664 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.043 -9.358 -2.021 1.00 0.00 H new ATOM 0 HG SER A 53 5.311 -11.325 -3.010 1.00 0.00 H new ATOM 819 N VAL A 54 2.985 -7.488 -3.535 1.00 0.00 N ATOM 820 CA VAL A 54 1.724 -7.080 -2.898 1.00 0.00 C ATOM 821 C VAL A 54 0.889 -8.314 -2.554 1.00 0.00 C ATOM 822 O VAL A 54 1.092 -9.379 -3.143 1.00 0.00 O ATOM 823 CB VAL A 54 0.878 -6.148 -3.811 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.264 -5.516 -3.025 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.733 -5.062 -4.455 1.00 0.00 C ATOM 0 H VAL A 54 2.918 -7.623 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 54 1.988 -6.529 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 54 0.462 -6.765 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.843 -4.868 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.909 -6.299 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.142 -4.928 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.106 -4.431 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.194 -4.453 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.511 -5.524 -5.063 1.00 0.00 H new ATOM 835 N VAL A 55 -0.050 -8.171 -1.607 1.00 0.00 N ATOM 836 CA VAL A 55 -0.902 -9.299 -1.211 1.00 0.00 C ATOM 837 C VAL A 55 -2.229 -8.837 -0.588 1.00 0.00 C ATOM 838 O VAL A 55 -2.319 -7.741 -0.053 1.00 0.00 O ATOM 839 CB VAL A 55 -0.150 -10.241 -0.230 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.146 -9.552 1.103 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.925 -11.537 -0.016 1.00 0.00 C ATOM 0 H VAL A 55 -0.236 -7.300 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.141 -9.849 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 55 0.808 -10.489 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.672 -10.243 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.767 -8.673 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.790 -9.247 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.377 -12.179 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.906 -11.310 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.046 -12.050 -0.970 1.00 0.00 H new ATOM 851 N TRP A 56 -3.242 -9.709 -0.639 1.00 0.00 N ATOM 852 CA TRP A 56 -4.559 -9.427 -0.058 1.00 0.00 C ATOM 853 C TRP A 56 -4.971 -10.604 0.819 1.00 0.00 C ATOM 854 O TRP A 56 -5.058 -11.736 0.332 1.00 0.00 O ATOM 855 CB TRP A 56 -5.586 -9.183 -1.164 1.00 0.00 C ATOM 856 CG TRP A 56 -5.208 -8.037 -2.047 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.682 -6.759 -1.987 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.260 -8.064 -3.118 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.084 -5.990 -2.950 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.209 -6.767 -3.661 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.449 -9.059 -3.669 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.378 -6.441 -4.729 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.625 -8.734 -4.729 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.594 -7.434 -5.249 1.00 0.00 C ATOM 0 H TRP A 56 -3.173 -10.625 -1.082 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.510 -8.525 0.552 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.688 -10.085 -1.767 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.560 -8.987 -0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.421 -6.405 -1.283 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.262 -4.999 -3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.466 -10.064 -3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.353 -5.440 -5.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.994 -9.495 -5.164 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.938 -7.211 -6.077 1.00 0.00 H new ATOM 875 N ASN A 57 -5.172 -10.357 2.124 1.00 0.00 N ATOM 876 CA ASN A 57 -5.516 -11.443 3.071 1.00 0.00 C ATOM 877 C ASN A 57 -6.903 -11.276 3.704 1.00 0.00 C ATOM 878 O ASN A 57 -7.842 -11.977 3.325 1.00 0.00 O ATOM 879 CB ASN A 57 -4.431 -11.592 4.171 1.00 0.00 C ATOM 880 CG ASN A 57 -3.738 -10.286 4.552 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.019 -9.705 5.599 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.826 -9.820 3.697 1.00 0.00 N ATOM 0 H ASN A 57 -5.105 -9.431 2.547 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.549 -12.358 2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.890 -12.019 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.679 -12.302 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.332 -8.951 3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.622 -10.333 2.839 1.00 0.00 H new ATOM 889 N ASP A 58 -7.023 -10.374 4.689 1.00 0.00 N ATOM 890 CA ASP A 58 -8.297 -10.150 5.400 1.00 0.00 C ATOM 891 C ASP A 58 -9.453 -9.830 4.442 1.00 0.00 C ATOM 892 O ASP A 58 -9.279 -9.834 3.223 1.00 0.00 O ATOM 893 CB ASP A 58 -8.146 -9.024 6.430 1.00 0.00 C ATOM 894 CG ASP A 58 -6.987 -9.254 7.384 1.00 0.00 C ATOM 895 OD1 ASP A 58 -7.188 -9.946 8.405 1.00 0.00 O ATOM 896 OD2 ASP A 58 -5.881 -8.745 7.109 1.00 0.00 O ATOM 0 H ASP A 58 -6.255 -9.786 5.014 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.542 -11.081 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.000 -8.078 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.070 -8.934 7.002 1.00 0.00 H new ATOM 901 N ASP A 59 -10.641 -9.565 5.009 1.00 0.00 N ATOM 902 CA ASP A 59 -11.846 -9.254 4.221 1.00 0.00 C ATOM 903 C ASP A 59 -11.597 -8.136 3.201 1.00 0.00 C ATOM 904 O ASP A 59 -12.110 -8.187 2.081 1.00 0.00 O ATOM 905 CB ASP A 59 -12.998 -8.855 5.147 1.00 0.00 C ATOM 906 CG ASP A 59 -13.596 -10.046 5.873 1.00 0.00 C ATOM 907 OD1 ASP A 59 -12.900 -10.628 6.732 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.759 -10.396 5.583 1.00 0.00 O ATOM 0 H ASP A 59 -10.794 -9.560 6.018 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.110 -10.157 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.639 -8.130 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.775 -8.361 4.564 1.00 0.00 H new ATOM 913 N ASP A 60 -10.801 -7.139 3.598 1.00 0.00 N ATOM 914 CA ASP A 60 -10.475 -6.016 2.718 1.00 0.00 C ATOM 915 C ASP A 60 -9.142 -5.349 3.101 1.00 0.00 C ATOM 916 O ASP A 60 -8.927 -4.169 2.811 1.00 0.00 O ATOM 917 CB ASP A 60 -11.610 -4.992 2.740 1.00 0.00 C ATOM 918 CG ASP A 60 -12.786 -5.415 1.883 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.562 -5.790 0.711 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.930 -5.374 2.381 1.00 0.00 O ATOM 0 H ASP A 60 -10.372 -7.088 4.522 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.359 -6.408 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.946 -4.848 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.235 -4.031 2.389 1.00 0.00 H new ATOM 925 N SER A 61 -8.241 -6.116 3.736 1.00 0.00 N ATOM 926 CA SER A 61 -6.926 -5.613 4.138 1.00 0.00 C ATOM 927 C SER A 61 -5.840 -6.216 3.253 1.00 0.00 C ATOM 928 O SER A 61 -5.910 -7.400 2.882 1.00 0.00 O ATOM 929 CB SER A 61 -6.650 -5.939 5.607 1.00 0.00 C ATOM 930 OG SER A 61 -5.681 -5.060 6.152 1.00 0.00 O ATOM 0 H SER A 61 -8.405 -7.092 3.981 1.00 0.00 H new ATOM 0 HA SER A 61 -6.920 -4.530 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.575 -5.865 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.302 -6.968 5.695 1.00 0.00 H new ATOM 0 HG SER A 61 -5.301 -4.508 5.437 1.00 0.00 H new ATOM 936 N SER A 62 -4.844 -5.396 2.898 1.00 0.00 N ATOM 937 CA SER A 62 -3.753 -5.837 2.030 1.00 0.00 C ATOM 938 C SER A 62 -2.400 -5.481 2.635 1.00 0.00 C ATOM 939 O SER A 62 -2.335 -5.037 3.778 1.00 0.00 O ATOM 940 CB SER A 62 -3.923 -5.184 0.651 1.00 0.00 C ATOM 941 OG SER A 62 -5.295 -5.099 0.284 1.00 0.00 O ATOM 0 H SER A 62 -4.774 -4.424 3.200 1.00 0.00 H new ATOM 0 HA SER A 62 -3.788 -6.921 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.485 -4.186 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.380 -5.762 -0.097 1.00 0.00 H new ATOM 0 HG SER A 62 -5.383 -5.228 -0.683 1.00 0.00 H new ATOM 947 N THR A 63 -1.326 -5.676 1.862 1.00 0.00 N ATOM 948 CA THR A 63 0.019 -5.370 2.321 1.00 0.00 C ATOM 949 C THR A 63 0.947 -5.093 1.143 1.00 0.00 C ATOM 950 O THR A 63 0.911 -5.799 0.126 1.00 0.00 O ATOM 951 CB THR A 63 0.592 -6.514 3.159 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.412 -7.115 3.958 1.00 0.00 O ATOM 953 CG2 THR A 63 1.712 -6.061 4.074 1.00 0.00 C ATOM 0 H THR A 63 -1.370 -6.046 0.913 1.00 0.00 H new ATOM 0 HA THR A 63 -0.048 -4.477 2.942 1.00 0.00 H new ATOM 0 HB THR A 63 0.990 -7.233 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.020 -7.844 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.082 -6.912 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.523 -5.644 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.337 -5.300 4.758 1.00 0.00 H new ATOM 961 N LEU A 64 1.786 -4.068 1.303 1.00 0.00 N ATOM 962 CA LEU A 64 2.752 -3.673 0.292 1.00 0.00 C ATOM 963 C LEU A 64 4.151 -4.043 0.762 1.00 0.00 C ATOM 964 O LEU A 64 4.808 -3.254 1.451 1.00 0.00 O ATOM 965 CB LEU A 64 2.663 -2.153 0.054 1.00 0.00 C ATOM 966 CG LEU A 64 3.305 -1.556 -1.238 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.299 -0.445 -0.892 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.972 -2.609 -2.126 1.00 0.00 C ATOM 0 H LEU A 64 1.810 -3.490 2.143 1.00 0.00 H new ATOM 0 HA LEU A 64 2.536 -4.191 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.608 -1.880 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.121 -1.657 0.910 1.00 0.00 H new ATOM 0 HG LEU A 64 2.482 -1.136 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.732 -0.046 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.782 0.352 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.092 -0.849 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.397 -2.126 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.764 -3.108 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.230 -3.344 -2.438 1.00 0.00 H new ATOM 980 N THR A 65 4.598 -5.245 0.396 1.00 0.00 N ATOM 981 CA THR A 65 5.922 -5.716 0.785 1.00 0.00 C ATOM 982 C THR A 65 6.955 -5.223 -0.223 1.00 0.00 C ATOM 983 O THR A 65 6.656 -5.081 -1.409 1.00 0.00 O ATOM 984 CB THR A 65 5.963 -7.260 0.922 1.00 0.00 C ATOM 985 OG1 THR A 65 4.659 -7.817 0.864 1.00 0.00 O ATOM 986 CG2 THR A 65 6.586 -7.736 2.223 1.00 0.00 C ATOM 0 H THR A 65 4.063 -5.906 -0.167 1.00 0.00 H new ATOM 0 HA THR A 65 6.161 -5.307 1.767 1.00 0.00 H new ATOM 0 HB THR A 65 6.578 -7.593 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.473 -8.119 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.582 -8.826 2.251 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.613 -7.375 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.011 -7.349 3.065 1.00 0.00 H new ATOM 994 N ILE A 66 8.161 -4.953 0.263 1.00 0.00 N ATOM 995 CA ILE A 66 9.253 -4.471 -0.577 1.00 0.00 C ATOM 996 C ILE A 66 10.556 -5.048 -0.046 1.00 0.00 C ATOM 997 O ILE A 66 11.171 -4.471 0.847 1.00 0.00 O ATOM 998 CB ILE A 66 9.317 -2.918 -0.612 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.938 -2.337 -0.988 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.419 -2.419 -1.563 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.873 -0.822 -0.997 1.00 0.00 C ATOM 0 H ILE A 66 8.410 -5.061 1.246 1.00 0.00 H new ATOM 0 HA ILE A 66 9.083 -4.800 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 66 9.577 -2.564 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.660 -2.705 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.195 -2.715 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.434 -1.329 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.386 -2.796 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.218 -2.778 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.868 -0.503 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.116 -0.441 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.588 -0.431 -1.721 1.00 0.00 H new ATOM 1013 N TYR A 67 10.940 -6.216 -0.579 1.00 0.00 N ATOM 1014 CA TYR A 67 12.153 -6.925 -0.139 1.00 0.00 C ATOM 1015 C TYR A 67 13.417 -6.031 -0.267 1.00 0.00 C ATOM 1016 O TYR A 67 13.570 -5.101 0.522 1.00 0.00 O ATOM 1017 CB TYR A 67 12.272 -8.282 -0.886 1.00 0.00 C ATOM 1018 CG TYR A 67 10.978 -9.087 -0.942 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.132 -9.182 0.162 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.598 -9.741 -2.109 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.955 -9.903 0.101 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.421 -10.462 -2.176 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.604 -10.539 -1.069 1.00 0.00 C ATOM 1024 OH TYR A 67 7.432 -11.256 -1.132 1.00 0.00 O ATOM 0 H TYR A 67 10.426 -6.693 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 67 12.071 -7.151 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.612 -8.094 -1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.039 -8.884 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.401 -8.683 1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.235 -9.684 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.313 -9.968 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.143 -10.963 -3.092 1.00 0.00 H new ATOM 0 HH TYR A 67 7.332 -11.642 -2.027 1.00 0.00 H new ATOM 1034 N ASN A 68 14.315 -6.275 -1.238 1.00 0.00 N ATOM 1035 CA ASN A 68 15.517 -5.439 -1.403 1.00 0.00 C ATOM 1036 C ASN A 68 15.119 -3.978 -1.673 1.00 0.00 C ATOM 1037 O ASN A 68 14.861 -3.597 -2.817 1.00 0.00 O ATOM 1038 CB ASN A 68 16.403 -5.974 -2.539 1.00 0.00 C ATOM 1039 CG ASN A 68 17.885 -5.783 -2.258 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.304 -4.536 -2.039 1.00 0.00 O flip ATOM 1041 ND2 ASN A 68 18.649 -6.748 -2.236 1.00 0.00 N flip ATOM 0 H ASN A 68 14.233 -7.035 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 68 16.091 -5.479 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.198 -7.034 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.144 -5.466 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.290 -7.687 -2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 68 19.641 -6.609 -2.045 1.00 0.00 H new ATOM 1048 N ALA A 69 15.045 -3.182 -0.601 1.00 0.00 N ATOM 1049 CA ALA A 69 14.646 -1.776 -0.696 1.00 0.00 C ATOM 1050 C ALA A 69 15.766 -0.894 -1.243 1.00 0.00 C ATOM 1051 O ALA A 69 16.939 -1.273 -1.204 1.00 0.00 O ATOM 1052 CB ALA A 69 14.185 -1.272 0.664 1.00 0.00 C ATOM 0 H ALA A 69 15.258 -3.491 0.347 1.00 0.00 H new ATOM 0 HA ALA A 69 13.818 -1.716 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.890 -0.226 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.334 -1.864 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.000 -1.365 1.382 1.00 0.00 H new ATOM 1058 N ASN A 70 15.391 0.289 -1.755 1.00 0.00 N ATOM 1059 CA ASN A 70 16.360 1.234 -2.315 1.00 0.00 C ATOM 1060 C ASN A 70 15.861 2.678 -2.199 1.00 0.00 C ATOM 1061 O ASN A 70 14.663 2.931 -2.007 1.00 0.00 O ATOM 1062 CB ASN A 70 16.639 0.917 -3.792 1.00 0.00 C ATOM 1063 CG ASN A 70 17.005 -0.539 -4.035 1.00 0.00 C ATOM 1064 OD1 ASN A 70 15.995 -1.396 -4.179 1.00 0.00 O flip ATOM 1065 ND2 ASN A 70 18.183 -0.891 -4.095 1.00 0.00 N flip ATOM 0 H ASN A 70 14.424 0.610 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 70 17.280 1.130 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.758 1.167 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.451 1.553 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 70 18.927 -0.203 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 70 18.415 -1.870 -4.260 1.00 0.00 H new ATOM 1072 N ILE A 71 16.784 3.637 -2.343 1.00 0.00 N ATOM 1073 CA ILE A 71 16.435 5.063 -2.276 1.00 0.00 C ATOM 1074 C ILE A 71 15.330 5.430 -3.287 1.00 0.00 C ATOM 1075 O ILE A 71 14.570 6.376 -3.064 1.00 0.00 O ATOM 1076 CB ILE A 71 17.667 5.960 -2.521 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.350 5.594 -3.843 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.644 5.838 -1.361 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.350 6.626 -4.318 1.00 0.00 C ATOM 0 H ILE A 71 17.774 3.454 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 71 16.061 5.240 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 71 17.334 6.996 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.857 4.636 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.588 5.460 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.509 6.475 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.154 6.149 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.970 4.802 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.792 6.298 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 71 18.845 7.580 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.134 6.744 -3.570 1.00 0.00 H new ATOM 1091 N ASP A 72 15.239 4.659 -4.383 1.00 0.00 N ATOM 1092 CA ASP A 72 14.222 4.888 -5.409 1.00 0.00 C ATOM 1093 C ASP A 72 12.838 4.529 -4.872 1.00 0.00 C ATOM 1094 O ASP A 72 11.865 5.243 -5.122 1.00 0.00 O ATOM 1095 CB ASP A 72 14.522 4.064 -6.663 1.00 0.00 C ATOM 1096 CG ASP A 72 15.859 4.422 -7.283 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.890 3.888 -6.821 1.00 0.00 O ATOM 1098 OD2 ASP A 72 15.875 5.236 -8.230 1.00 0.00 O ATOM 0 H ASP A 72 15.860 3.873 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 72 14.239 5.945 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.515 3.004 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.731 4.221 -7.396 1.00 0.00 H new ATOM 1103 N ASP A 73 12.763 3.423 -4.114 1.00 0.00 N ATOM 1104 CA ASP A 73 11.508 2.976 -3.521 1.00 0.00 C ATOM 1105 C ASP A 73 11.036 3.970 -2.457 1.00 0.00 C ATOM 1106 O ASP A 73 9.832 4.166 -2.278 1.00 0.00 O ATOM 1107 CB ASP A 73 11.674 1.572 -2.928 1.00 0.00 C ATOM 1108 CG ASP A 73 11.785 0.509 -4.005 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.422 0.781 -5.045 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.239 -0.595 -3.812 1.00 0.00 O ATOM 0 H ASP A 73 13.562 2.826 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 73 10.746 2.930 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.565 1.547 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.824 1.348 -2.284 1.00 0.00 H new ATOM 1115 N ALA A 74 11.994 4.619 -1.764 1.00 0.00 N ATOM 1116 CA ALA A 74 11.665 5.618 -0.730 1.00 0.00 C ATOM 1117 C ALA A 74 10.746 6.726 -1.265 1.00 0.00 C ATOM 1118 O ALA A 74 11.191 7.605 -2.010 1.00 0.00 O ATOM 1119 CB ALA A 74 12.935 6.239 -0.161 1.00 0.00 C ATOM 0 H ALA A 74 12.994 4.470 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 74 11.130 5.090 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.671 6.973 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.553 5.460 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.490 6.729 -0.961 1.00 0.00 H new ATOM 1125 N GLY A 75 9.477 6.677 -0.862 1.00 0.00 N ATOM 1126 CA GLY A 75 8.509 7.676 -1.284 1.00 0.00 C ATOM 1127 C GLY A 75 7.136 7.403 -0.709 1.00 0.00 C ATOM 1128 O GLY A 75 6.928 6.367 -0.070 1.00 0.00 O ATOM 0 H GLY A 75 9.101 5.957 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.845 8.664 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.452 7.690 -2.372 1.00 0.00 H new ATOM 1132 N ILE A 76 6.200 8.330 -0.920 1.00 0.00 N ATOM 1133 CA ILE A 76 4.848 8.176 -0.400 1.00 0.00 C ATOM 1134 C ILE A 76 4.026 7.214 -1.265 1.00 0.00 C ATOM 1135 O ILE A 76 3.458 7.616 -2.283 1.00 0.00 O ATOM 1136 CB ILE A 76 4.126 9.550 -0.266 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.978 10.482 0.620 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.708 9.375 0.304 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.376 11.847 0.888 1.00 0.00 C ATOM 0 H ILE A 76 6.356 9.190 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 76 4.934 7.746 0.598 1.00 0.00 H new ATOM 0 HB ILE A 76 4.018 10.000 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.155 9.987 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.950 10.618 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.226 10.349 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.125 8.738 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.767 8.914 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.051 12.425 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.225 12.370 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.418 11.729 1.394 1.00 0.00 H new ATOM 1151 N TYR A 77 3.939 5.950 -0.825 1.00 0.00 N ATOM 1152 CA TYR A 77 3.149 4.939 -1.533 1.00 0.00 C ATOM 1153 C TYR A 77 1.664 5.232 -1.322 1.00 0.00 C ATOM 1154 O TYR A 77 1.315 6.125 -0.539 1.00 0.00 O ATOM 1155 CB TYR A 77 3.482 3.529 -1.026 1.00 0.00 C ATOM 1156 CG TYR A 77 4.835 3.001 -1.460 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.983 3.389 -0.788 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.962 2.101 -2.514 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.229 2.902 -1.152 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.202 1.607 -2.885 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.329 2.010 -2.200 1.00 0.00 C ATOM 1162 OH TYR A 77 8.559 1.523 -2.568 1.00 0.00 O ATOM 0 H TYR A 77 4.405 5.607 0.015 1.00 0.00 H new ATOM 0 HA TYR A 77 3.390 4.980 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.441 3.530 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.711 2.842 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.906 4.084 0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.081 1.783 -3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.114 3.218 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.286 0.910 -3.706 1.00 0.00 H new ATOM 0 HH TYR A 77 8.454 0.906 -3.322 1.00 0.00 H new ATOM 1172 N LYS A 78 0.785 4.492 -2.010 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.662 4.711 -1.874 1.00 0.00 C ATOM 1174 C LYS A 78 -1.440 3.413 -1.732 1.00 0.00 C ATOM 1175 O LYS A 78 -1.014 2.368 -2.203 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.212 5.504 -3.074 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.016 6.740 -2.648 1.00 0.00 C ATOM 1178 CD LYS A 78 -1.874 7.959 -3.568 1.00 0.00 C ATOM 1179 CE LYS A 78 -0.456 8.222 -4.079 1.00 0.00 C ATOM 1180 NZ LYS A 78 0.606 8.109 -3.035 1.00 0.00 N ATOM 0 H LYS A 78 1.044 3.747 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.798 5.285 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.383 5.816 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.846 4.852 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.070 6.467 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.708 7.026 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.534 7.827 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.220 8.842 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.236 7.518 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.418 9.222 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.526 7.945 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.645 8.990 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.387 7.313 -2.402 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.618 3.528 -1.117 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.529 2.411 -0.930 1.00 0.00 C ATOM 1196 C CYS A 79 -4.936 2.890 -1.252 1.00 0.00 C ATOM 1197 O CYS A 79 -5.593 3.507 -0.407 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.464 1.880 0.503 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.431 0.358 0.768 1.00 0.00 S ATOM 0 H CYS A 79 -2.964 4.408 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.245 1.593 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.423 1.688 0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.825 2.652 1.183 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.380 2.645 -2.489 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.702 3.093 -2.936 1.00 0.00 C ATOM 1206 C VAL A 80 -7.715 1.953 -2.920 1.00 0.00 C ATOM 1207 O VAL A 80 -7.498 0.905 -3.527 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.664 3.720 -4.355 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -7.984 4.432 -4.663 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.487 4.683 -4.500 1.00 0.00 C ATOM 0 H VAL A 80 -4.845 2.141 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.012 3.861 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.529 2.914 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.939 4.866 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.804 3.715 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.150 5.223 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.486 5.107 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.581 5.485 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.554 4.145 -4.332 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.840 2.192 -2.243 1.00 0.00 N ATOM 1221 CA VAL A 81 -9.924 1.224 -2.156 1.00 0.00 C ATOM 1222 C VAL A 81 -11.069 1.719 -3.039 1.00 0.00 C ATOM 1223 O VAL A 81 -11.243 2.923 -3.183 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.360 1.034 -0.663 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.830 0.630 -0.495 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.451 0.014 0.014 1.00 0.00 C ATOM 0 H VAL A 81 -9.021 3.062 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.605 0.245 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.259 2.008 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.057 0.517 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.470 1.401 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.008 -0.316 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.758 -0.115 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.524 -0.941 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.420 0.367 -0.018 1.00 0.00 H new ATOM 1236 N THR A 82 -11.833 0.795 -3.636 1.00 0.00 N ATOM 1237 CA THR A 82 -12.949 1.180 -4.518 1.00 0.00 C ATOM 1238 C THR A 82 -14.258 0.501 -4.124 1.00 0.00 C ATOM 1239 O THR A 82 -14.258 -0.606 -3.588 1.00 0.00 O ATOM 1240 CB THR A 82 -12.617 0.856 -5.975 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.231 1.022 -6.226 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.369 1.726 -6.960 1.00 0.00 C ATOM 0 H THR A 82 -11.704 -0.211 -3.529 1.00 0.00 H new ATOM 0 HA THR A 82 -13.086 2.255 -4.405 1.00 0.00 H new ATOM 0 HB THR A 82 -12.919 -0.181 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.040 0.808 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.091 1.448 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.441 1.585 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.117 2.772 -6.788 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.378 1.180 -4.406 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.705 0.654 -4.093 1.00 0.00 C ATOM 1252 C ALA A 83 -17.255 -0.165 -5.260 1.00 0.00 C ATOM 1253 O ALA A 83 -16.578 -0.335 -6.277 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.652 1.794 -3.746 1.00 0.00 C ATOM 0 H ALA A 83 -15.387 2.097 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.620 -0.006 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.638 1.390 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.269 2.335 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.728 2.474 -4.594 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.481 -0.673 -5.106 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.121 -1.480 -6.146 1.00 0.00 C ATOM 1262 C GLU A 84 -19.543 -0.619 -7.338 1.00 0.00 C ATOM 1263 O GLU A 84 -19.501 -1.077 -8.482 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.338 -2.218 -5.581 1.00 0.00 C ATOM 1265 CG GLU A 84 -20.868 -3.310 -6.497 1.00 0.00 C ATOM 1266 CD GLU A 84 -21.677 -4.353 -5.752 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -21.074 -5.322 -5.246 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -22.915 -4.201 -5.675 1.00 0.00 O ATOM 0 H GLU A 84 -19.050 -0.539 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.390 -2.210 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.071 -2.659 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.133 -1.497 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.488 -2.860 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.031 -3.795 -7.000 1.00 0.00 H new ATOM 1275 N ASP A 85 -19.958 0.625 -7.065 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.396 1.544 -8.118 1.00 0.00 C ATOM 1277 C ASP A 85 -19.231 2.377 -8.655 1.00 0.00 C ATOM 1278 O ASP A 85 -19.146 2.616 -9.864 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.506 2.463 -7.597 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.092 3.252 -6.369 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.167 2.697 -5.252 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.694 4.425 -6.525 1.00 0.00 O ATOM 0 H ASP A 85 -19.999 1.016 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 85 -20.787 0.944 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -21.797 3.156 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.385 1.864 -7.358 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.337 2.812 -7.756 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.190 3.612 -8.171 1.00 0.00 C ATOM 1289 C GLY A 86 -16.552 4.407 -7.041 1.00 0.00 C ATOM 1290 O GLY A 86 -15.366 4.739 -7.116 1.00 0.00 O ATOM 0 H GLY A 86 -18.389 2.624 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.439 2.954 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.505 4.301 -8.955 1.00 0.00 H new ATOM 1294 N THR A 87 -17.329 4.722 -5.992 1.00 0.00 N ATOM 1295 CA THR A 87 -16.823 5.496 -4.842 1.00 0.00 C ATOM 1296 C THR A 87 -15.579 4.848 -4.215 1.00 0.00 C ATOM 1297 O THR A 87 -15.676 3.808 -3.564 1.00 0.00 O ATOM 1298 CB THR A 87 -17.919 5.652 -3.783 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.099 6.185 -4.358 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.521 6.554 -2.636 1.00 0.00 C ATOM 0 H THR A 87 -18.310 4.454 -5.915 1.00 0.00 H new ATOM 0 HA THR A 87 -16.534 6.479 -5.214 1.00 0.00 H new ATOM 0 HB THR A 87 -18.087 4.648 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.788 6.276 -3.667 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.343 6.620 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.642 6.144 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.291 7.549 -3.018 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.416 5.477 -4.422 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.143 4.966 -3.892 1.00 0.00 C ATOM 1310 C GLN A 88 -12.549 5.884 -2.817 1.00 0.00 C ATOM 1311 O GLN A 88 -12.510 7.105 -2.982 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.115 4.778 -5.028 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.138 5.858 -6.101 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.811 5.985 -6.829 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.242 7.074 -6.914 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.308 4.872 -7.360 1.00 0.00 N ATOM 0 H GLN A 88 -14.329 6.343 -4.954 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.362 4.003 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.117 4.741 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.292 3.812 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.924 5.632 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.390 6.815 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.811 3.990 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.419 4.902 -7.860 1.00 0.00 H new ATOM 1325 N SER A 89 -12.053 5.274 -1.728 1.00 0.00 N ATOM 1326 CA SER A 89 -11.417 6.011 -0.628 1.00 0.00 C ATOM 1327 C SER A 89 -9.976 5.526 -0.481 1.00 0.00 C ATOM 1328 O SER A 89 -9.750 4.340 -0.235 1.00 0.00 O ATOM 1329 CB SER A 89 -12.187 5.796 0.676 1.00 0.00 C ATOM 1330 OG SER A 89 -11.963 6.863 1.583 1.00 0.00 O ATOM 0 H SER A 89 -12.082 4.264 -1.587 1.00 0.00 H new ATOM 0 HA SER A 89 -11.425 7.078 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.253 5.713 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.879 4.855 1.133 1.00 0.00 H new ATOM 0 HG SER A 89 -12.189 6.573 2.491 1.00 0.00 H new ATOM 1336 N GLU A 90 -9.004 6.427 -0.684 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.580 6.056 -0.633 1.00 0.00 C ATOM 1338 C GLU A 90 -6.847 6.525 0.639 1.00 0.00 C ATOM 1339 O GLU A 90 -7.424 7.168 1.517 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.869 6.615 -1.875 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.767 8.134 -1.911 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.480 8.669 -3.299 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -5.289 8.802 -3.649 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.447 8.954 -4.037 1.00 0.00 O ATOM 0 H GLU A 90 -9.175 7.412 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.546 4.967 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.865 6.194 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.400 6.277 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.699 8.565 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.978 8.457 -1.231 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.544 6.201 0.687 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.658 6.574 1.793 1.00 0.00 C ATOM 1353 C ALA A 91 -3.217 6.683 1.281 1.00 0.00 C ATOM 1354 O ALA A 91 -2.952 6.369 0.122 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.744 5.553 2.921 1.00 0.00 C ATOM 0 H ALA A 91 -5.077 5.669 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.974 7.540 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.078 5.849 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.768 5.505 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.447 4.573 2.548 1.00 0.00 H new ATOM 1361 N THR A 92 -2.288 7.124 2.140 1.00 0.00 N ATOM 1362 CA THR A 92 -0.875 7.261 1.746 1.00 0.00 C ATOM 1363 C THR A 92 0.061 6.911 2.906 1.00 0.00 C ATOM 1364 O THR A 92 -0.321 7.016 4.074 1.00 0.00 O ATOM 1365 CB THR A 92 -0.582 8.687 1.240 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.434 9.631 1.863 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.740 8.842 -0.261 1.00 0.00 C ATOM 0 H THR A 92 -2.485 7.391 3.105 1.00 0.00 H new ATOM 0 HA THR A 92 -0.691 6.557 0.934 1.00 0.00 H new ATOM 0 HB THR A 92 0.461 8.869 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.228 10.529 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.518 9.870 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.052 8.168 -0.771 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.764 8.599 -0.546 1.00 0.00 H new ATOM 1375 N VAL A 93 1.293 6.503 2.569 1.00 0.00 N ATOM 1376 CA VAL A 93 2.299 6.142 3.573 1.00 0.00 C ATOM 1377 C VAL A 93 3.683 6.684 3.189 1.00 0.00 C ATOM 1378 O VAL A 93 4.250 6.277 2.173 1.00 0.00 O ATOM 1379 CB VAL A 93 2.367 4.602 3.769 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.720 3.895 2.460 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.348 4.221 4.883 1.00 0.00 C ATOM 0 H VAL A 93 1.615 6.415 1.605 1.00 0.00 H new ATOM 0 HA VAL A 93 1.997 6.599 4.515 1.00 0.00 H new ATOM 0 HB VAL A 93 1.376 4.267 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.761 2.819 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.961 4.117 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.691 4.244 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.370 3.137 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.345 4.581 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.027 4.674 5.821 1.00 0.00 H new ATOM 1391 N ASN A 94 4.217 7.586 4.019 1.00 0.00 N ATOM 1392 CA ASN A 94 5.536 8.170 3.778 1.00 0.00 C ATOM 1393 C ASN A 94 6.640 7.150 4.059 1.00 0.00 C ATOM 1394 O ASN A 94 7.023 6.932 5.210 1.00 0.00 O ATOM 1395 CB ASN A 94 5.732 9.421 4.643 1.00 0.00 C ATOM 1396 CG ASN A 94 6.621 10.456 3.974 1.00 0.00 C ATOM 1397 OD1 ASN A 94 6.142 11.300 3.217 1.00 0.00 O ATOM 1398 ND2 ASN A 94 7.924 10.397 4.246 1.00 0.00 N ATOM 0 H ASN A 94 3.755 7.926 4.862 1.00 0.00 H new ATOM 0 HA ASN A 94 5.596 8.458 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.761 9.866 4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.170 9.133 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.565 11.067 3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.281 9.681 4.879 1.00 0.00 H new ATOM 1405 N VAL A 95 7.142 6.514 2.996 1.00 0.00 N ATOM 1406 CA VAL A 95 8.194 5.505 3.128 1.00 0.00 C ATOM 1407 C VAL A 95 9.577 6.102 2.834 1.00 0.00 C ATOM 1408 O VAL A 95 9.801 6.676 1.769 1.00 0.00 O ATOM 1409 CB VAL A 95 7.928 4.291 2.198 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.934 3.190 2.452 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.511 3.751 2.391 1.00 0.00 C ATOM 0 H VAL A 95 6.837 6.680 2.037 1.00 0.00 H new ATOM 0 HA VAL A 95 8.181 5.158 4.161 1.00 0.00 H new ATOM 0 HB VAL A 95 8.032 4.635 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.728 2.349 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.940 3.565 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.860 2.861 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.352 2.901 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.381 3.433 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.789 4.533 2.158 1.00 0.00 H new ATOM 1421 N LYS A 96 10.498 5.957 3.796 1.00 0.00 N ATOM 1422 CA LYS A 96 11.864 6.468 3.666 1.00 0.00 C ATOM 1423 C LYS A 96 12.865 5.319 3.501 1.00 0.00 C ATOM 1424 O LYS A 96 12.638 4.215 4.000 1.00 0.00 O ATOM 1425 CB LYS A 96 12.226 7.310 4.910 1.00 0.00 C ATOM 1426 CG LYS A 96 12.334 8.801 4.631 1.00 0.00 C ATOM 1427 CD LYS A 96 13.051 9.529 5.756 1.00 0.00 C ATOM 1428 CE LYS A 96 12.130 9.766 6.941 1.00 0.00 C ATOM 1429 NZ LYS A 96 11.291 10.983 6.757 1.00 0.00 N ATOM 0 H LYS A 96 10.316 5.484 4.681 1.00 0.00 H new ATOM 0 HA LYS A 96 11.916 7.095 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.471 7.147 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.174 6.956 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.870 8.959 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.336 9.221 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.915 8.946 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.429 10.484 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.485 8.898 7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.725 9.869 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.677 11.110 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.905 11.815 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.704 10.875 5.905 1.00 0.00 H new ATOM 1443 N ILE A 97 13.988 5.606 2.832 1.00 0.00 N ATOM 1444 CA ILE A 97 15.051 4.619 2.640 1.00 0.00 C ATOM 1445 C ILE A 97 16.413 5.310 2.634 1.00 0.00 C ATOM 1446 O ILE A 97 16.564 6.399 2.075 1.00 0.00 O ATOM 1447 CB ILE A 97 14.885 3.753 1.361 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.437 3.208 1.283 1.00 0.00 C ATOM 1449 CG2 ILE A 97 15.918 2.618 1.367 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.181 2.163 0.210 1.00 0.00 C ATOM 0 H ILE A 97 14.182 6.516 2.415 1.00 0.00 H new ATOM 0 HA ILE A 97 14.980 3.930 3.482 1.00 0.00 H new ATOM 0 HB ILE A 97 15.062 4.362 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.178 2.779 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.762 4.047 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.799 2.013 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.923 3.040 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.767 1.994 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.137 1.853 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.400 2.587 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.822 1.299 0.383 1.00 0.00 H new ATOM 1462 N PHE A 98 17.395 4.676 3.282 1.00 0.00 N ATOM 1463 CA PHE A 98 18.752 5.232 3.381 1.00 0.00 C ATOM 1464 C PHE A 98 19.801 4.131 3.221 1.00 0.00 C ATOM 1465 O PHE A 98 19.698 3.071 3.842 1.00 0.00 O ATOM 1466 CB PHE A 98 18.961 5.986 4.721 1.00 0.00 C ATOM 1467 CG PHE A 98 18.032 5.570 5.835 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.758 6.108 5.918 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.424 4.634 6.778 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.893 5.725 6.921 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.560 4.244 7.784 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.293 4.792 7.853 1.00 0.00 C ATOM 0 H PHE A 98 17.277 3.776 3.747 1.00 0.00 H new ATOM 0 HA PHE A 98 18.872 5.950 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.989 5.835 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.837 7.054 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.438 6.837 5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.414 4.205 6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.904 6.155 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.874 3.513 8.514 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.616 4.489 8.638 1.00 0.00 H new ATOM 1482 N GLN A 99 20.810 4.396 2.383 1.00 0.00 N ATOM 1483 CA GLN A 99 21.887 3.439 2.130 1.00 0.00 C ATOM 1484 C GLN A 99 23.062 3.676 3.073 1.00 0.00 C ATOM 1485 O GLN A 99 23.674 2.680 3.515 1.00 0.00 O ATOM 1486 CB GLN A 99 22.355 3.545 0.675 1.00 0.00 C ATOM 1487 CG GLN A 99 22.781 4.947 0.272 1.00 0.00 C ATOM 1488 CD GLN A 99 23.544 4.972 -1.040 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.775 4.994 -1.052 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.818 4.970 -2.159 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.361 4.853 3.362 1.00 0.00 O ATOM 0 H GLN A 99 20.901 5.271 1.867 1.00 0.00 H new ATOM 0 HA GLN A 99 21.500 2.436 2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 99 23.191 2.862 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.549 3.217 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 99 21.898 5.580 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.404 5.373 1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.800 4.951 -2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.281 4.987 -3.068 1.00 0.00 H new