USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 957 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 37 GLN :FLIP amide:sc= -0.773 F(o=-4.6,f=-3.3) USER MOD Set 1.2: A 69 GLN : amide:sc= -2.49! C(o=-3.3!,f=-3.9!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -2.45 K(o=-2.4,f=-3.9) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc=-0.00147 (180deg=-0.866) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0955) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.223) USER MOD Single : A 32 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.02) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= -0.238 (180deg=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -147:sc= -0.954! (180deg=-1.45!) USER MOD Single : A 79 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.06) USER MOD Single : A 88 THR OG1 : rot -35:sc= 0.886 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -137:sc= -1.08 (180deg=-3.62!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.57) USER MOD Single : A 116 SER OG : rot -96:sc= 0.499 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -1.311 10.001 -11.351 1.00 0.00 N ATOM 2 CA SER A 2 0.173 9.931 -11.286 1.00 0.00 C ATOM 3 C SER A 2 0.646 9.474 -9.910 1.00 0.00 C ATOM 4 O SER A 2 1.739 9.829 -9.470 1.00 0.00 O ATOM 5 CB SER A 2 0.739 11.316 -11.605 1.00 0.00 C ATOM 6 OG SER A 2 1.056 11.434 -12.982 1.00 0.00 O ATOM 0 HA SER A 2 0.528 9.201 -12.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.013 12.081 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.633 11.494 -11.007 1.00 0.00 H new ATOM 0 HG SER A 2 1.414 12.329 -13.160 1.00 0.00 H new ATOM 14 N ILE A 3 -0.182 8.682 -9.236 1.00 0.00 N ATOM 15 CA ILE A 3 0.156 8.177 -7.910 1.00 0.00 C ATOM 16 C ILE A 3 0.992 6.901 -8.012 1.00 0.00 C ATOM 17 O ILE A 3 1.441 6.535 -9.097 1.00 0.00 O ATOM 18 CB ILE A 3 -1.110 7.920 -7.057 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.750 6.568 -7.389 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.119 9.041 -7.260 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.133 6.414 -8.845 1.00 0.00 C ATOM 0 H ILE A 3 -1.090 8.377 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 3 0.746 8.946 -7.411 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.805 7.896 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.056 5.772 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.640 6.437 -6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.004 8.848 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.674 9.990 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.402 9.090 -8.311 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.579 5.432 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.852 7.187 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.244 6.512 -9.467 1.00 0.00 H new ATOM 33 N GLU A 4 1.203 6.229 -6.883 1.00 0.00 N ATOM 34 CA GLU A 4 1.996 5.004 -6.877 1.00 0.00 C ATOM 35 C GLU A 4 1.617 4.079 -5.723 1.00 0.00 C ATOM 36 O GLU A 4 1.197 4.529 -4.652 1.00 0.00 O ATOM 37 CB GLU A 4 3.485 5.342 -6.802 1.00 0.00 C ATOM 38 CG GLU A 4 4.000 6.107 -8.010 1.00 0.00 C ATOM 39 CD GLU A 4 5.512 6.213 -8.033 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.177 5.173 -8.235 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.032 7.333 -7.851 1.00 0.00 O ATOM 0 H GLU A 4 0.841 6.508 -5.971 1.00 0.00 H new ATOM 0 HA GLU A 4 1.784 4.476 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.670 5.932 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.053 4.418 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.660 5.612 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.569 7.108 -8.012 1.00 0.00 H new ATOM 48 N TRP A 5 1.785 2.780 -5.955 1.00 0.00 N ATOM 49 CA TRP A 5 1.484 1.765 -4.955 1.00 0.00 C ATOM 50 C TRP A 5 2.714 1.482 -4.098 1.00 0.00 C ATOM 51 O TRP A 5 3.571 0.683 -4.473 1.00 0.00 O ATOM 52 CB TRP A 5 1.028 0.472 -5.632 1.00 0.00 C ATOM 53 CG TRP A 5 -0.447 0.405 -5.894 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.082 0.648 -7.077 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.473 0.059 -4.953 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.438 0.470 -6.932 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.702 0.109 -5.638 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.470 -0.288 -3.601 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.913 -0.179 -5.010 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.669 -0.572 -2.983 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.875 -0.518 -3.685 1.00 0.00 C ATOM 0 H TRP A 5 2.132 2.405 -6.838 1.00 0.00 H new ATOM 0 HA TRP A 5 0.682 2.140 -4.318 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.559 0.363 -6.577 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.314 -0.373 -5.006 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.591 0.938 -7.994 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.134 0.588 -7.669 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.543 -0.333 -3.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.847 -0.136 -5.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.676 -0.841 -1.937 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.797 -0.749 -3.171 1.00 0.00 H new ATOM 72 N TYR A 6 2.800 2.145 -2.950 1.00 0.00 N ATOM 73 CA TYR A 6 3.931 1.961 -2.051 1.00 0.00 C ATOM 74 C TYR A 6 3.645 0.859 -1.038 1.00 0.00 C ATOM 75 O TYR A 6 2.734 0.978 -0.218 1.00 0.00 O ATOM 76 CB TYR A 6 4.254 3.271 -1.329 1.00 0.00 C ATOM 77 CG TYR A 6 5.058 4.239 -2.168 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.431 5.156 -3.002 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.446 4.238 -2.125 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.162 6.042 -3.768 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.187 5.121 -2.887 1.00 0.00 C ATOM 82 CZ TYR A 6 6.540 6.020 -3.708 1.00 0.00 C ATOM 83 OH TYR A 6 7.272 6.901 -4.470 1.00 0.00 O ATOM 0 H TYR A 6 2.102 2.812 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 6 4.794 1.664 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.322 3.750 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.807 3.047 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.352 5.176 -3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.956 3.534 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.658 6.748 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.266 5.107 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 6 8.228 6.755 -4.311 1.00 0.00 H new ATOM 93 N ALA A 7 4.422 -0.218 -1.105 1.00 0.00 N ATOM 94 CA ALA A 7 4.244 -1.343 -0.196 1.00 0.00 C ATOM 95 C ALA A 7 5.268 -1.315 0.933 1.00 0.00 C ATOM 96 O ALA A 7 6.426 -0.947 0.729 1.00 0.00 O ATOM 97 CB ALA A 7 4.333 -2.655 -0.960 1.00 0.00 C ATOM 0 H ALA A 7 5.179 -0.334 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 7 3.254 -1.259 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.198 -3.488 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.554 -2.686 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.310 -2.733 -1.437 1.00 0.00 H new ATOM 103 N VAL A 8 4.833 -1.714 2.122 1.00 0.00 N ATOM 104 CA VAL A 8 5.706 -1.745 3.290 1.00 0.00 C ATOM 105 C VAL A 8 5.384 -2.947 4.172 1.00 0.00 C ATOM 106 O VAL A 8 4.297 -3.518 4.084 1.00 0.00 O ATOM 107 CB VAL A 8 5.577 -0.459 4.128 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.672 -0.396 5.182 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.618 0.771 3.232 1.00 0.00 C ATOM 0 H VAL A 8 3.878 -2.022 2.303 1.00 0.00 H new ATOM 0 HA VAL A 8 6.729 -1.823 2.922 1.00 0.00 H new ATOM 0 HB VAL A 8 4.614 -0.476 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.565 0.519 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.590 -1.258 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.647 -0.404 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.525 1.669 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.564 0.796 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.794 0.730 2.520 1.00 0.00 H new ATOM 119 N HIS A 9 6.332 -3.329 5.020 1.00 0.00 N ATOM 120 CA HIS A 9 6.140 -4.468 5.911 1.00 0.00 C ATOM 121 C HIS A 9 6.529 -4.118 7.344 1.00 0.00 C ATOM 122 O HIS A 9 7.371 -3.251 7.576 1.00 0.00 O ATOM 123 CB HIS A 9 6.954 -5.670 5.426 1.00 0.00 C ATOM 124 CG HIS A 9 8.331 -5.316 4.958 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.472 -5.661 5.651 1.00 0.00 N ATOM 126 CD2 HIS A 9 8.749 -4.648 3.859 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.533 -5.219 4.998 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.120 -4.602 3.904 1.00 0.00 N ATOM 0 H HIS A 9 7.238 -2.869 5.110 1.00 0.00 H new ATOM 0 HA HIS A 9 5.081 -4.727 5.898 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.031 -6.396 6.235 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.417 -6.156 4.612 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.494 -6.177 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.120 -4.228 3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.561 -5.341 5.305 1.00 0.00 H new ATOM 137 N THR A 10 5.910 -4.804 8.299 1.00 0.00 N ATOM 138 CA THR A 10 6.188 -4.574 9.712 1.00 0.00 C ATOM 139 C THR A 10 6.230 -5.894 10.478 1.00 0.00 C ATOM 140 O THR A 10 6.308 -6.966 9.878 1.00 0.00 O ATOM 141 CB THR A 10 5.127 -3.651 10.317 1.00 0.00 C ATOM 142 OG1 THR A 10 3.912 -4.350 10.524 1.00 0.00 O ATOM 143 CG2 THR A 10 4.821 -2.443 9.458 1.00 0.00 C ATOM 0 H THR A 10 5.211 -5.525 8.120 1.00 0.00 H new ATOM 0 HA THR A 10 7.164 -4.096 9.794 1.00 0.00 H new ATOM 0 HB THR A 10 5.551 -3.307 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.248 -3.743 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.061 -1.832 9.946 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.728 -1.854 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.453 -2.772 8.486 1.00 0.00 H new ATOM 151 N LEU A 11 6.178 -5.809 11.804 1.00 0.00 N ATOM 152 CA LEU A 11 6.211 -6.998 12.647 1.00 0.00 C ATOM 153 C LEU A 11 4.912 -7.788 12.528 1.00 0.00 C ATOM 154 O LEU A 11 3.822 -7.215 12.541 1.00 0.00 O ATOM 155 CB LEU A 11 6.453 -6.607 14.107 1.00 0.00 C ATOM 156 CG LEU A 11 7.384 -7.541 14.882 1.00 0.00 C ATOM 157 CD1 LEU A 11 6.865 -8.968 14.838 1.00 0.00 C ATOM 158 CD2 LEU A 11 8.796 -7.467 14.322 1.00 0.00 C ATOM 0 H LEU A 11 6.113 -4.930 12.317 1.00 0.00 H new ATOM 0 HA LEU A 11 7.031 -7.631 12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.870 -5.600 14.133 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.492 -6.568 14.621 1.00 0.00 H new ATOM 0 HG LEU A 11 7.409 -7.218 15.923 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.540 -9.618 15.395 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.872 -9.008 15.285 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.810 -9.303 13.802 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.446 -8.137 14.884 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.788 -7.765 13.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.168 -6.446 14.406 1.00 0.00 H new ATOM 170 N VAL A 12 5.036 -9.106 12.413 1.00 0.00 N ATOM 171 CA VAL A 12 3.872 -9.976 12.291 1.00 0.00 C ATOM 172 C VAL A 12 3.058 -9.982 13.581 1.00 0.00 C ATOM 173 O VAL A 12 3.611 -10.081 14.677 1.00 0.00 O ATOM 174 CB VAL A 12 4.282 -11.421 11.948 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.054 -12.281 11.690 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.216 -11.441 10.748 1.00 0.00 C ATOM 0 H VAL A 12 5.931 -9.595 12.402 1.00 0.00 H new ATOM 0 HA VAL A 12 3.262 -9.579 11.479 1.00 0.00 H new ATOM 0 HB VAL A 12 4.815 -11.838 12.802 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.366 -13.297 11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.426 -12.295 12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.489 -11.867 10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.495 -12.470 10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.711 -11.003 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.112 -10.864 10.975 1.00 0.00 H new ATOM 186 N GLY A 13 1.741 -9.872 13.444 1.00 0.00 N ATOM 187 CA GLY A 13 0.872 -9.865 14.606 1.00 0.00 C ATOM 188 C GLY A 13 0.511 -8.461 15.050 1.00 0.00 C ATOM 189 O GLY A 13 -0.581 -8.227 15.566 1.00 0.00 O ATOM 0 H GLY A 13 1.260 -9.788 12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.040 -10.417 14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.363 -10.388 15.427 1.00 0.00 H new ATOM 193 N GLN A 14 1.433 -7.525 14.847 1.00 0.00 N ATOM 194 CA GLN A 14 1.209 -6.135 15.228 1.00 0.00 C ATOM 195 C GLN A 14 0.656 -5.328 14.057 1.00 0.00 C ATOM 196 O GLN A 14 0.035 -4.283 14.250 1.00 0.00 O ATOM 197 CB GLN A 14 2.511 -5.507 15.728 1.00 0.00 C ATOM 198 CG GLN A 14 2.299 -4.383 16.729 1.00 0.00 C ATOM 199 CD GLN A 14 2.371 -4.863 18.167 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.428 -5.279 18.642 1.00 0.00 O ATOM 201 NE2 GLN A 14 1.243 -4.806 18.866 1.00 0.00 N ATOM 0 H GLN A 14 2.342 -7.704 14.421 1.00 0.00 H new ATOM 0 HA GLN A 14 0.473 -6.119 16.032 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.125 -6.281 16.188 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.070 -5.122 14.875 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.052 -3.612 16.569 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.328 -3.922 16.552 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.391 -4.454 18.431 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.229 -5.114 19.838 1.00 0.00 H new ATOM 210 N GLU A 15 0.888 -5.816 12.839 1.00 0.00 N ATOM 211 CA GLU A 15 0.414 -5.137 11.636 1.00 0.00 C ATOM 212 C GLU A 15 -1.073 -4.810 11.738 1.00 0.00 C ATOM 213 O GLU A 15 -1.536 -3.804 11.199 1.00 0.00 O ATOM 214 CB GLU A 15 0.672 -6.005 10.402 1.00 0.00 C ATOM 215 CG GLU A 15 0.411 -5.286 9.088 1.00 0.00 C ATOM 216 CD GLU A 15 -0.946 -5.619 8.502 1.00 0.00 C ATOM 217 OE1 GLU A 15 -1.950 -5.529 9.238 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.005 -5.970 7.304 1.00 0.00 O ATOM 0 H GLU A 15 1.401 -6.679 12.660 1.00 0.00 H new ATOM 0 HA GLU A 15 0.965 -4.201 11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.706 -6.349 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.040 -6.892 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.480 -4.210 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.188 -5.553 8.371 1.00 0.00 H new ATOM 225 N GLU A 16 -1.817 -5.664 12.436 1.00 0.00 N ATOM 226 CA GLU A 16 -3.253 -5.462 12.609 1.00 0.00 C ATOM 227 C GLU A 16 -3.539 -4.102 13.233 1.00 0.00 C ATOM 228 O GLU A 16 -4.389 -3.353 12.753 1.00 0.00 O ATOM 229 CB GLU A 16 -3.844 -6.571 13.482 1.00 0.00 C ATOM 230 CG GLU A 16 -5.360 -6.529 13.576 1.00 0.00 C ATOM 231 CD GLU A 16 -6.035 -6.949 12.284 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.675 -8.017 11.746 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.922 -6.209 11.810 1.00 0.00 O ATOM 0 H GLU A 16 -1.451 -6.501 12.890 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.720 -5.496 11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.540 -7.538 13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.424 -6.495 14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.689 -7.184 14.383 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.677 -5.519 13.836 1.00 0.00 H new ATOM 240 N LYS A 17 -2.820 -3.787 14.306 1.00 0.00 N ATOM 241 CA LYS A 17 -2.993 -2.514 14.995 1.00 0.00 C ATOM 242 C LYS A 17 -2.371 -1.375 14.195 1.00 0.00 C ATOM 243 O LYS A 17 -2.800 -0.226 14.294 1.00 0.00 O ATOM 244 CB LYS A 17 -2.365 -2.576 16.390 1.00 0.00 C ATOM 245 CG LYS A 17 -3.175 -1.854 17.454 1.00 0.00 C ATOM 246 CD LYS A 17 -4.402 -2.653 17.861 1.00 0.00 C ATOM 247 CE LYS A 17 -5.517 -1.748 18.358 1.00 0.00 C ATOM 248 NZ LYS A 17 -6.189 -2.307 19.564 1.00 0.00 N ATOM 0 H LYS A 17 -2.112 -4.396 14.717 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.062 -2.324 15.093 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.248 -3.620 16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.366 -2.142 16.349 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.550 -1.675 18.329 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.484 -0.879 17.078 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.757 -3.235 17.011 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.132 -3.363 18.643 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.109 -0.765 18.592 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.252 -1.608 17.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.943 -1.661 19.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.600 -3.234 19.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.493 -2.417 20.329 1.00 0.00 H new ATOM 262 N ALA A 18 -1.357 -1.702 13.399 1.00 0.00 N ATOM 263 CA ALA A 18 -0.677 -0.706 12.579 1.00 0.00 C ATOM 264 C ALA A 18 -1.617 -0.124 11.530 1.00 0.00 C ATOM 265 O ALA A 18 -1.582 1.072 11.245 1.00 0.00 O ATOM 266 CB ALA A 18 0.546 -1.320 11.914 1.00 0.00 C ATOM 0 H ALA A 18 -0.989 -2.649 13.305 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.355 0.107 13.229 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.045 -0.567 11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.233 -1.682 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.237 -2.152 11.281 1.00 0.00 H new ATOM 272 N LYS A 19 -2.457 -0.981 10.956 1.00 0.00 N ATOM 273 CA LYS A 19 -3.408 -0.552 9.938 1.00 0.00 C ATOM 274 C LYS A 19 -4.341 0.524 10.482 1.00 0.00 C ATOM 275 O LYS A 19 -4.625 1.514 9.807 1.00 0.00 O ATOM 276 CB LYS A 19 -4.224 -1.748 9.440 1.00 0.00 C ATOM 277 CG LYS A 19 -4.973 -1.475 8.145 1.00 0.00 C ATOM 278 CD LYS A 19 -6.424 -1.105 8.407 1.00 0.00 C ATOM 279 CE LYS A 19 -6.933 -0.095 7.394 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.232 -0.728 6.078 1.00 0.00 N ATOM 0 H LYS A 19 -2.498 -1.975 11.179 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.846 -0.130 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.556 -2.597 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.939 -2.036 10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.482 -0.666 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.931 -2.357 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.042 -2.002 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.520 -0.694 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.833 0.383 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.189 0.690 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.988 -0.197 5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.377 -0.719 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.540 -1.710 6.227 1.00 0.00 H new ATOM 294 N ALA A 20 -4.814 0.324 11.707 1.00 0.00 N ATOM 295 CA ALA A 20 -5.715 1.277 12.345 1.00 0.00 C ATOM 296 C ALA A 20 -4.953 2.496 12.854 1.00 0.00 C ATOM 297 O ALA A 20 -5.449 3.621 12.794 1.00 0.00 O ATOM 298 CB ALA A 20 -6.469 0.610 13.485 1.00 0.00 C ATOM 0 H ALA A 20 -4.588 -0.490 12.279 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.434 1.615 11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.137 1.334 13.952 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.052 -0.225 13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.758 0.243 14.225 1.00 0.00 H new ATOM 304 N ASN A 21 -3.744 2.264 13.356 1.00 0.00 N ATOM 305 CA ASN A 21 -2.912 3.344 13.875 1.00 0.00 C ATOM 306 C ASN A 21 -2.551 4.329 12.767 1.00 0.00 C ATOM 307 O ASN A 21 -2.445 5.532 13.003 1.00 0.00 O ATOM 308 CB ASN A 21 -1.641 2.776 14.511 1.00 0.00 C ATOM 309 CG ASN A 21 -1.552 3.078 15.995 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.855 2.228 16.833 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.134 4.294 16.327 1.00 0.00 N ATOM 0 H ASN A 21 -3.319 1.339 13.414 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.480 3.877 14.637 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.614 1.697 14.360 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.769 3.191 14.006 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.053 4.555 17.310 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.893 4.967 15.599 1.00 0.00 H new ATOM 318 N LEU A 22 -2.362 3.808 11.561 1.00 0.00 N ATOM 319 CA LEU A 22 -2.014 4.641 10.416 1.00 0.00 C ATOM 320 C LEU A 22 -3.194 5.515 10.003 1.00 0.00 C ATOM 321 O LEU A 22 -3.091 6.740 9.971 1.00 0.00 O ATOM 322 CB LEU A 22 -1.572 3.769 9.239 1.00 0.00 C ATOM 323 CG LEU A 22 -1.266 4.532 7.947 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.103 5.186 8.025 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.347 3.599 6.747 1.00 0.00 C ATOM 0 H LEU A 22 -2.444 2.813 11.350 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.188 5.290 10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.683 3.212 9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.354 3.037 9.035 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.013 5.316 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.303 5.723 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.125 5.884 8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.864 4.420 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.127 4.157 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.622 2.793 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.350 3.178 6.681 1.00 0.00 H new ATOM 337 N GLU A 23 -4.317 4.874 9.686 1.00 0.00 N ATOM 338 CA GLU A 23 -5.520 5.591 9.272 1.00 0.00 C ATOM 339 C GLU A 23 -5.845 6.726 10.240 1.00 0.00 C ATOM 340 O GLU A 23 -6.328 7.783 9.832 1.00 0.00 O ATOM 341 CB GLU A 23 -6.707 4.628 9.181 1.00 0.00 C ATOM 342 CG GLU A 23 -6.768 3.862 7.869 1.00 0.00 C ATOM 343 CD GLU A 23 -8.087 3.140 7.677 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.539 2.466 8.627 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.669 3.250 6.577 1.00 0.00 O ATOM 0 H GLU A 23 -4.419 3.859 9.708 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.332 6.022 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.652 3.917 10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.632 5.191 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.613 4.554 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.954 3.138 7.837 1.00 0.00 H new ATOM 352 N LYS A 24 -5.575 6.501 11.521 1.00 0.00 N ATOM 353 CA LYS A 24 -5.836 7.508 12.543 1.00 0.00 C ATOM 354 C LYS A 24 -4.877 8.683 12.399 1.00 0.00 C ATOM 355 O LYS A 24 -5.283 9.843 12.484 1.00 0.00 O ATOM 356 CB LYS A 24 -5.710 6.895 13.939 1.00 0.00 C ATOM 357 CG LYS A 24 -6.099 7.846 15.059 1.00 0.00 C ATOM 358 CD LYS A 24 -6.945 7.151 16.115 1.00 0.00 C ATOM 359 CE LYS A 24 -6.897 7.892 17.442 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.326 9.310 17.301 1.00 0.00 N ATOM 0 H LYS A 24 -5.176 5.632 11.876 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.854 7.874 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.338 6.006 13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.681 6.569 14.092 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.199 8.251 15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.652 8.689 14.645 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.977 7.085 15.771 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.589 6.130 16.254 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.541 7.388 18.163 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.883 7.857 17.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.426 9.738 18.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.613 9.836 16.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.239 9.349 16.805 1.00 0.00 H new ATOM 374 N ARG A 25 -3.603 8.377 12.176 1.00 0.00 N ATOM 375 CA ARG A 25 -2.586 9.409 12.014 1.00 0.00 C ATOM 376 C ARG A 25 -2.791 10.160 10.702 1.00 0.00 C ATOM 377 O ARG A 25 -2.605 11.376 10.635 1.00 0.00 O ATOM 378 CB ARG A 25 -1.188 8.790 12.052 1.00 0.00 C ATOM 379 CG ARG A 25 -0.761 8.341 13.441 1.00 0.00 C ATOM 380 CD ARG A 25 0.386 9.187 13.974 1.00 0.00 C ATOM 381 NE ARG A 25 0.223 9.498 15.394 1.00 0.00 N ATOM 382 CZ ARG A 25 0.925 10.429 16.034 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.839 11.144 15.388 1.00 0.00 N ATOM 384 NH2 ARG A 25 0.714 10.648 17.325 1.00 0.00 N ATOM 0 H ARG A 25 -3.251 7.423 12.103 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.680 10.116 12.839 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.160 7.934 11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.467 9.516 11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.609 8.406 14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.458 7.294 13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.327 8.658 13.824 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.448 10.114 13.404 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.470 8.970 15.925 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.006 10.981 14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.374 11.856 15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.013 10.102 17.827 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.252 11.362 17.816 1.00 0.00 H new ATOM 398 N ILE A 26 -3.182 9.428 9.664 1.00 0.00 N ATOM 399 CA ILE A 26 -3.423 10.021 8.355 1.00 0.00 C ATOM 400 C ILE A 26 -4.643 10.938 8.396 1.00 0.00 C ATOM 401 O ILE A 26 -4.715 11.927 7.668 1.00 0.00 O ATOM 402 CB ILE A 26 -3.627 8.927 7.281 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.381 8.044 7.187 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.944 9.536 5.920 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.138 8.799 6.766 1.00 0.00 C ATOM 0 H ILE A 26 -3.339 8.421 9.705 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.545 10.610 8.090 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.478 8.316 7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.202 7.577 8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.567 7.240 6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.081 8.740 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.857 10.127 5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.120 10.178 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.293 8.112 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.298 9.244 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.927 9.585 7.491 1.00 0.00 H new ATOM 417 N LYS A 27 -5.601 10.603 9.256 1.00 0.00 N ATOM 418 CA LYS A 27 -6.815 11.399 9.392 1.00 0.00 C ATOM 419 C LYS A 27 -6.620 12.529 10.398 1.00 0.00 C ATOM 420 O LYS A 27 -7.250 13.582 10.294 1.00 0.00 O ATOM 421 CB LYS A 27 -7.981 10.513 9.829 1.00 0.00 C ATOM 422 CG LYS A 27 -9.341 11.177 9.672 1.00 0.00 C ATOM 423 CD LYS A 27 -10.389 10.195 9.173 1.00 0.00 C ATOM 424 CE LYS A 27 -11.259 10.813 8.090 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.864 12.099 8.530 1.00 0.00 N ATOM 0 H LYS A 27 -5.560 9.788 9.867 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.040 11.838 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.966 9.592 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.841 10.231 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.657 11.592 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.261 12.011 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.898 9.304 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.015 9.875 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.660 10.981 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.050 10.114 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.699 12.308 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.149 12.025 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.168 12.864 8.425 1.00 0.00 H new ATOM 439 N ALA A 28 -5.747 12.302 11.373 1.00 0.00 N ATOM 440 CA ALA A 28 -5.474 13.299 12.402 1.00 0.00 C ATOM 441 C ALA A 28 -4.757 14.513 11.818 1.00 0.00 C ATOM 442 O ALA A 28 -5.126 15.655 12.093 1.00 0.00 O ATOM 443 CB ALA A 28 -4.649 12.685 13.526 1.00 0.00 C ATOM 0 H ALA A 28 -5.216 11.437 11.473 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.428 13.636 12.808 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.452 13.440 14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.200 11.856 13.971 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.704 12.319 13.125 1.00 0.00 H new ATOM 449 N PHE A 29 -3.728 14.258 11.017 1.00 0.00 N ATOM 450 CA PHE A 29 -2.958 15.332 10.400 1.00 0.00 C ATOM 451 C PHE A 29 -3.581 15.767 9.077 1.00 0.00 C ATOM 452 O PHE A 29 -3.388 16.899 8.633 1.00 0.00 O ATOM 453 CB PHE A 29 -1.513 14.883 10.175 1.00 0.00 C ATOM 454 CG PHE A 29 -0.734 14.704 11.447 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.237 15.804 12.130 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.500 13.439 11.959 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.479 15.641 13.301 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.214 13.272 13.129 1.00 0.00 C ATOM 459 CZ PHE A 29 0.705 14.374 13.801 1.00 0.00 C ATOM 0 H PHE A 29 -3.408 13.319 10.780 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.967 16.186 11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.515 13.942 9.625 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.006 15.617 9.549 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.411 16.797 11.743 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.880 12.573 11.437 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.862 16.505 13.825 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.388 12.280 13.518 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.265 14.245 14.716 1.00 0.00 H new ATOM 469 N GLY A 30 -4.323 14.861 8.447 1.00 0.00 N ATOM 470 CA GLY A 30 -4.956 15.176 7.181 1.00 0.00 C ATOM 471 C GLY A 30 -4.083 14.815 5.995 1.00 0.00 C ATOM 472 O GLY A 30 -3.695 15.682 5.214 1.00 0.00 O ATOM 0 H GLY A 30 -4.496 13.916 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.903 14.641 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.187 16.241 7.148 1.00 0.00 H new ATOM 476 N LEU A 31 -3.770 13.530 5.866 1.00 0.00 N ATOM 477 CA LEU A 31 -2.933 13.053 4.773 1.00 0.00 C ATOM 478 C LEU A 31 -3.781 12.469 3.648 1.00 0.00 C ATOM 479 O LEU A 31 -3.330 11.593 2.906 1.00 0.00 O ATOM 480 CB LEU A 31 -1.948 12.003 5.284 1.00 0.00 C ATOM 481 CG LEU A 31 -0.625 12.556 5.805 1.00 0.00 C ATOM 482 CD1 LEU A 31 0.035 13.441 4.759 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.844 13.326 7.099 1.00 0.00 C ATOM 0 H LEU A 31 -4.084 12.800 6.506 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.377 13.903 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.427 11.436 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.738 11.301 4.477 1.00 0.00 H new ATOM 0 HG LEU A 31 0.041 11.718 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.977 13.826 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.227 12.858 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.625 14.274 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.110 13.714 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.528 14.155 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.271 12.661 7.850 1.00 0.00 H new ATOM 495 N GLN A 32 -5.008 12.963 3.518 1.00 0.00 N ATOM 496 CA GLN A 32 -5.915 12.491 2.478 1.00 0.00 C ATOM 497 C GLN A 32 -5.618 13.161 1.137 1.00 0.00 C ATOM 498 O GLN A 32 -6.474 13.201 0.253 1.00 0.00 O ATOM 499 CB GLN A 32 -7.368 12.756 2.882 1.00 0.00 C ATOM 500 CG GLN A 32 -7.938 11.706 3.825 1.00 0.00 C ATOM 501 CD GLN A 32 -8.737 12.315 4.960 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.710 13.035 4.735 1.00 0.00 O ATOM 503 NE2 GLN A 32 -8.330 12.026 6.191 1.00 0.00 N ATOM 0 H GLN A 32 -5.397 13.689 4.119 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.763 11.418 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.431 13.734 3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.984 12.799 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.575 11.024 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.122 11.112 4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.518 11.425 6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.829 12.405 6.995 1.00 0.00 H new ATOM 512 N ASP A 33 -4.402 13.685 0.988 1.00 0.00 N ATOM 513 CA ASP A 33 -4.002 14.344 -0.249 1.00 0.00 C ATOM 514 C ASP A 33 -2.986 13.499 -1.015 1.00 0.00 C ATOM 515 O ASP A 33 -2.743 13.731 -2.199 1.00 0.00 O ATOM 516 CB ASP A 33 -3.411 15.722 0.053 1.00 0.00 C ATOM 517 CG ASP A 33 -2.334 15.668 1.119 1.00 0.00 C ATOM 518 OD1 ASP A 33 -2.683 15.697 2.318 1.00 0.00 O ATOM 519 OD2 ASP A 33 -1.141 15.599 0.755 1.00 0.00 O ATOM 0 H ASP A 33 -3.680 13.665 1.708 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.889 14.463 -0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.993 16.143 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.207 16.392 0.378 1.00 0.00 H new ATOM 524 N LYS A 34 -2.394 12.519 -0.335 1.00 0.00 N ATOM 525 CA LYS A 34 -1.406 11.647 -0.960 1.00 0.00 C ATOM 526 C LYS A 34 -1.893 10.201 -0.991 1.00 0.00 C ATOM 527 O LYS A 34 -1.789 9.523 -2.012 1.00 0.00 O ATOM 528 CB LYS A 34 -0.072 11.736 -0.216 1.00 0.00 C ATOM 529 CG LYS A 34 0.936 12.655 -0.889 1.00 0.00 C ATOM 530 CD LYS A 34 1.990 13.139 0.095 1.00 0.00 C ATOM 531 CE LYS A 34 2.375 14.585 -0.169 1.00 0.00 C ATOM 532 NZ LYS A 34 1.717 15.518 0.787 1.00 0.00 N ATOM 0 H LYS A 34 -2.582 12.311 0.646 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.263 11.982 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.254 12.090 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.357 10.737 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.419 12.127 -1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.418 13.512 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.611 13.042 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.875 12.507 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.457 14.692 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.098 14.854 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.057 16.486 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.686 15.484 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.947 15.236 1.761 1.00 0.00 H new ATOM 546 N ILE A 35 -2.424 9.736 0.136 1.00 0.00 N ATOM 547 CA ILE A 35 -2.925 8.370 0.234 1.00 0.00 C ATOM 548 C ILE A 35 -4.318 8.251 -0.375 1.00 0.00 C ATOM 549 O ILE A 35 -5.183 9.095 -0.143 1.00 0.00 O ATOM 550 CB ILE A 35 -2.969 7.892 1.699 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.614 8.120 2.372 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.360 6.422 1.771 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.700 8.261 3.876 1.00 0.00 C ATOM 0 H ILE A 35 -2.518 10.284 0.991 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.235 7.737 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.723 8.473 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.953 7.287 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.158 9.019 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.386 6.103 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.345 6.285 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.629 5.824 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.702 8.420 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.334 9.112 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.126 7.353 4.303 1.00 0.00 H new ATOM 565 N PHE A 36 -4.527 7.196 -1.158 1.00 0.00 N ATOM 566 CA PHE A 36 -5.816 6.967 -1.804 1.00 0.00 C ATOM 567 C PHE A 36 -6.268 5.526 -1.631 1.00 0.00 C ATOM 568 O PHE A 36 -7.327 5.258 -1.063 1.00 0.00 O ATOM 569 CB PHE A 36 -5.735 7.289 -3.295 1.00 0.00 C ATOM 570 CG PHE A 36 -4.984 8.551 -3.602 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.535 9.790 -3.320 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.724 8.494 -4.171 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.841 10.952 -3.604 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.025 9.649 -4.457 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.583 10.880 -4.172 1.00 0.00 C ATOM 0 H PHE A 36 -3.822 6.487 -1.360 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.541 7.626 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.256 6.457 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.746 7.372 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.517 9.849 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.282 7.534 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.281 11.913 -3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.043 9.591 -4.903 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.037 11.785 -4.393 1.00 0.00 H new ATOM 585 N GLN A 37 -5.468 4.601 -2.145 1.00 0.00 N ATOM 586 CA GLN A 37 -5.800 3.184 -2.066 1.00 0.00 C ATOM 587 C GLN A 37 -5.013 2.485 -0.961 1.00 0.00 C ATOM 588 O GLN A 37 -3.800 2.653 -0.844 1.00 0.00 O ATOM 589 CB GLN A 37 -5.538 2.506 -3.414 1.00 0.00 C ATOM 590 CG GLN A 37 -6.788 1.944 -4.063 1.00 0.00 C ATOM 591 CD GLN A 37 -6.994 2.456 -5.475 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.792 1.587 -6.458 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -7.333 3.622 -5.681 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.588 4.805 -2.619 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.859 3.101 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.080 3.227 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.818 1.700 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.726 0.856 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.656 2.204 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.478 4.257 -4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.469 3.952 -6.636 1.00 0.00 H new ATOM 602 N VAL A 38 -5.720 1.692 -0.163 1.00 0.00 N ATOM 603 CA VAL A 38 -5.103 0.949 0.930 1.00 0.00 C ATOM 604 C VAL A 38 -5.479 -0.528 0.844 1.00 0.00 C ATOM 605 O VAL A 38 -6.331 -1.010 1.590 1.00 0.00 O ATOM 606 CB VAL A 38 -5.527 1.510 2.303 1.00 0.00 C ATOM 607 CG1 VAL A 38 -7.040 1.463 2.460 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.843 0.750 3.431 1.00 0.00 C ATOM 0 H VAL A 38 -6.726 1.547 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.023 1.057 0.833 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.212 2.552 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.317 1.863 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.506 2.061 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.382 0.431 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.156 1.162 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.120 -0.303 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.762 0.846 3.331 1.00 0.00 H new ATOM 618 N LEU A 39 -4.843 -1.236 -0.082 1.00 0.00 N ATOM 619 CA LEU A 39 -5.115 -2.655 -0.283 1.00 0.00 C ATOM 620 C LEU A 39 -4.388 -3.507 0.755 1.00 0.00 C ATOM 621 O LEU A 39 -3.234 -3.242 1.096 1.00 0.00 O ATOM 622 CB LEU A 39 -4.696 -3.075 -1.696 1.00 0.00 C ATOM 623 CG LEU A 39 -5.811 -3.062 -2.750 1.00 0.00 C ATOM 624 CD1 LEU A 39 -6.781 -1.911 -2.520 1.00 0.00 C ATOM 625 CD2 LEU A 39 -5.220 -3.005 -4.152 1.00 0.00 C ATOM 0 H LEU A 39 -4.135 -0.850 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.186 -2.816 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.897 -2.413 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.278 -4.081 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.376 -3.989 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.558 -1.932 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.238 -2.011 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.243 -0.965 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.025 -2.997 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.622 -2.100 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.588 -3.878 -4.316 1.00 0.00 H new ATOM 637 N ILE A 40 -5.075 -4.532 1.251 1.00 0.00 N ATOM 638 CA ILE A 40 -4.503 -5.428 2.249 1.00 0.00 C ATOM 639 C ILE A 40 -3.982 -6.709 1.601 1.00 0.00 C ATOM 640 O ILE A 40 -4.636 -7.283 0.731 1.00 0.00 O ATOM 641 CB ILE A 40 -5.539 -5.796 3.329 1.00 0.00 C ATOM 642 CG1 ILE A 40 -6.207 -4.533 3.880 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.882 -6.586 4.450 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.251 -3.616 4.611 1.00 0.00 C ATOM 0 H ILE A 40 -6.030 -4.762 0.977 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.674 -4.897 2.717 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.307 -6.421 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.666 -3.985 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.010 -4.822 4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.628 -6.837 5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.452 -7.502 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.094 -5.985 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.791 -2.742 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.811 -4.147 5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.461 -3.297 3.931 1.00 0.00 H new ATOM 656 N PRO A 41 -2.789 -7.177 2.014 1.00 0.00 N ATOM 657 CA PRO A 41 -2.185 -8.394 1.464 1.00 0.00 C ATOM 658 C PRO A 41 -2.804 -9.669 2.031 1.00 0.00 C ATOM 659 O PRO A 41 -2.101 -10.525 2.573 1.00 0.00 O ATOM 660 CB PRO A 41 -0.726 -8.277 1.900 1.00 0.00 C ATOM 661 CG PRO A 41 -0.779 -7.511 3.176 1.00 0.00 C ATOM 662 CD PRO A 41 -1.934 -6.554 3.046 1.00 0.00 C ATOM 0 HA PRO A 41 -2.329 -8.469 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.275 -9.259 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.128 -7.759 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.921 -8.179 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.154 -6.974 3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.466 -6.438 3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.600 -5.561 2.744 1.00 0.00 H new ATOM 670 N THR A 42 -4.122 -9.794 1.900 1.00 0.00 N ATOM 671 CA THR A 42 -4.830 -10.967 2.397 1.00 0.00 C ATOM 672 C THR A 42 -5.668 -11.607 1.297 1.00 0.00 C ATOM 673 O THR A 42 -6.184 -10.920 0.415 1.00 0.00 O ATOM 674 CB THR A 42 -5.724 -10.584 3.578 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.349 -9.334 3.350 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.976 -10.490 4.890 1.00 0.00 C ATOM 0 H THR A 42 -4.719 -9.098 1.454 1.00 0.00 H new ATOM 0 HA THR A 42 -4.088 -11.693 2.730 1.00 0.00 H new ATOM 0 HB THR A 42 -6.459 -11.385 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.917 -9.108 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.669 -10.215 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.524 -11.454 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.196 -9.733 4.811 1.00 0.00 H new ATOM 684 N GLU A 43 -5.801 -12.929 1.354 1.00 0.00 N ATOM 685 CA GLU A 43 -6.577 -13.663 0.362 1.00 0.00 C ATOM 686 C GLU A 43 -8.001 -13.903 0.852 1.00 0.00 C ATOM 687 O GLU A 43 -8.327 -13.623 2.006 1.00 0.00 O ATOM 688 CB GLU A 43 -5.900 -15.000 0.044 1.00 0.00 C ATOM 689 CG GLU A 43 -5.827 -15.306 -1.444 1.00 0.00 C ATOM 690 CD GLU A 43 -6.667 -16.505 -1.836 1.00 0.00 C ATOM 691 OE1 GLU A 43 -6.620 -17.525 -1.117 1.00 0.00 O ATOM 692 OE2 GLU A 43 -7.372 -16.424 -2.863 1.00 0.00 O ATOM 0 H GLU A 43 -5.381 -13.513 2.077 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.623 -13.061 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.891 -14.994 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.443 -15.801 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.160 -14.434 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.789 -15.488 -1.723 1.00 0.00 H new ATOM 699 N GLU A 44 -8.845 -14.423 -0.032 1.00 0.00 N ATOM 700 CA GLU A 44 -10.235 -14.701 0.309 1.00 0.00 C ATOM 701 C GLU A 44 -10.601 -16.141 -0.033 1.00 0.00 C ATOM 702 O GLU A 44 -10.731 -16.498 -1.205 1.00 0.00 O ATOM 703 CB GLU A 44 -11.168 -13.738 -0.428 1.00 0.00 C ATOM 704 CG GLU A 44 -10.703 -12.292 -0.391 1.00 0.00 C ATOM 705 CD GLU A 44 -11.584 -11.374 -1.216 1.00 0.00 C ATOM 706 OE1 GLU A 44 -12.824 -11.511 -1.132 1.00 0.00 O ATOM 707 OE2 GLU A 44 -11.038 -10.522 -1.945 1.00 0.00 O ATOM 0 H GLU A 44 -8.591 -14.661 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.353 -14.559 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.257 -14.056 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.163 -13.802 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.690 -11.945 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.679 -12.234 -0.760 1.00 0.00 H new ATOM 714 N VAL A 45 -10.764 -16.966 0.995 1.00 0.00 N ATOM 715 CA VAL A 45 -11.115 -18.368 0.804 1.00 0.00 C ATOM 716 C VAL A 45 -12.392 -18.721 1.558 1.00 0.00 C ATOM 717 O VAL A 45 -12.807 -18.002 2.466 1.00 0.00 O ATOM 718 CB VAL A 45 -9.981 -19.300 1.272 1.00 0.00 C ATOM 719 CG1 VAL A 45 -8.839 -19.297 0.267 1.00 0.00 C ATOM 720 CG2 VAL A 45 -9.487 -18.891 2.652 1.00 0.00 C ATOM 0 H VAL A 45 -10.658 -16.688 1.971 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.275 -18.512 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.374 -20.314 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.047 -19.961 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.204 -19.643 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.446 -18.285 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.686 -19.561 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.111 -17.869 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.309 -18.950 3.365 1.00 0.00 H new ATOM 730 N VAL A 46 -13.011 -19.834 1.176 1.00 0.00 N ATOM 731 CA VAL A 46 -14.242 -20.279 1.817 1.00 0.00 C ATOM 732 C VAL A 46 -14.160 -21.753 2.203 1.00 0.00 C ATOM 733 O VAL A 46 -14.176 -22.633 1.343 1.00 0.00 O ATOM 734 CB VAL A 46 -15.461 -20.069 0.900 1.00 0.00 C ATOM 735 CG1 VAL A 46 -15.698 -18.587 0.657 1.00 0.00 C ATOM 736 CG2 VAL A 46 -15.276 -20.812 -0.416 1.00 0.00 C ATOM 0 H VAL A 46 -12.680 -20.443 0.427 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.365 -19.676 2.717 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.341 -20.476 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.563 -18.459 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.881 -18.087 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.819 -18.151 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -16.148 -20.651 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.385 -20.439 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.162 -21.878 -0.219 1.00 0.00 H new ATOM 746 N GLU A 47 -14.075 -22.014 3.503 1.00 0.00 N ATOM 747 CA GLU A 47 -13.993 -23.380 4.005 1.00 0.00 C ATOM 748 C GLU A 47 -15.002 -23.606 5.126 1.00 0.00 C ATOM 749 O GLU A 47 -15.365 -22.675 5.846 1.00 0.00 O ATOM 750 CB GLU A 47 -12.580 -23.679 4.509 1.00 0.00 C ATOM 751 CG GLU A 47 -12.405 -25.101 5.017 1.00 0.00 C ATOM 752 CD GLU A 47 -10.997 -25.375 5.507 1.00 0.00 C ATOM 753 OE1 GLU A 47 -10.041 -25.092 4.755 1.00 0.00 O ATOM 754 OE2 GLU A 47 -10.849 -25.875 6.642 1.00 0.00 O ATOM 0 H GLU A 47 -14.061 -21.297 4.228 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.228 -24.057 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.870 -23.500 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.334 -22.983 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.110 -25.283 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.651 -25.801 4.219 1.00 0.00 H new ATOM 761 N LEU A 48 -15.454 -24.848 5.269 1.00 0.00 N ATOM 762 CA LEU A 48 -16.422 -25.194 6.301 1.00 0.00 C ATOM 763 C LEU A 48 -16.408 -26.693 6.580 1.00 0.00 C ATOM 764 O LEU A 48 -15.810 -27.469 5.832 1.00 0.00 O ATOM 765 CB LEU A 48 -17.827 -24.756 5.881 1.00 0.00 C ATOM 766 CG LEU A 48 -18.239 -25.173 4.467 1.00 0.00 C ATOM 767 CD1 LEU A 48 -18.942 -26.520 4.493 1.00 0.00 C ATOM 768 CD2 LEU A 48 -19.132 -24.113 3.839 1.00 0.00 C ATOM 0 H LEU A 48 -15.165 -25.631 4.683 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.143 -24.669 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.546 -25.167 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.891 -23.670 5.957 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.340 -25.268 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.228 -26.801 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.269 -27.274 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.834 -26.453 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.416 -24.425 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -20.028 -23.986 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.592 -23.167 3.786 1.00 0.00 H new ATOM 780 N ARG A 49 -17.069 -27.097 7.659 1.00 0.00 N ATOM 781 CA ARG A 49 -17.132 -28.504 8.035 1.00 0.00 C ATOM 782 C ARG A 49 -18.488 -29.104 7.671 1.00 0.00 C ATOM 783 O ARG A 49 -19.281 -28.484 6.963 1.00 0.00 O ATOM 784 CB ARG A 49 -16.871 -28.666 9.535 1.00 0.00 C ATOM 785 CG ARG A 49 -15.629 -29.483 9.851 1.00 0.00 C ATOM 786 CD ARG A 49 -15.816 -30.323 11.104 1.00 0.00 C ATOM 787 NE ARG A 49 -15.445 -31.719 10.887 1.00 0.00 N ATOM 788 CZ ARG A 49 -15.741 -32.706 11.730 1.00 0.00 C ATOM 789 NH1 ARG A 49 -16.409 -32.454 12.848 1.00 0.00 N ATOM 790 NH2 ARG A 49 -15.367 -33.947 11.454 1.00 0.00 N ATOM 0 H ARG A 49 -17.569 -26.470 8.289 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.360 -29.038 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.771 -27.679 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.736 -29.142 9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.396 -30.133 9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.778 -28.815 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.212 -29.909 11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.857 -30.270 11.424 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.928 -31.952 10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.698 -31.500 13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.633 -33.214 13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.853 -34.146 10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.594 -34.703 12.100 1.00 0.00 H new ATOM 804 N GLU A 50 -18.745 -30.313 8.159 1.00 0.00 N ATOM 805 CA GLU A 50 -20.005 -30.994 7.885 1.00 0.00 C ATOM 806 C GLU A 50 -21.143 -30.387 8.699 1.00 0.00 C ATOM 807 O GLU A 50 -22.291 -30.367 8.260 1.00 0.00 O ATOM 808 CB GLU A 50 -19.876 -32.489 8.193 1.00 0.00 C ATOM 809 CG GLU A 50 -19.933 -33.371 6.957 1.00 0.00 C ATOM 810 CD GLU A 50 -18.592 -33.996 6.622 1.00 0.00 C ATOM 811 OE1 GLU A 50 -18.020 -34.677 7.499 1.00 0.00 O ATOM 812 OE2 GLU A 50 -18.115 -33.803 5.485 1.00 0.00 O ATOM 0 H GLU A 50 -18.098 -30.841 8.745 1.00 0.00 H new ATOM 0 HA GLU A 50 -20.237 -30.867 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.933 -32.665 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -20.674 -32.781 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.669 -34.160 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.275 -32.779 6.108 1.00 0.00 H new ATOM 819 N GLY A 51 -20.813 -29.891 9.888 1.00 0.00 N ATOM 820 CA GLY A 51 -21.818 -29.290 10.745 1.00 0.00 C ATOM 821 C GLY A 51 -22.100 -27.845 10.381 1.00 0.00 C ATOM 822 O GLY A 51 -23.077 -27.551 9.692 1.00 0.00 O ATOM 0 H GLY A 51 -19.868 -29.895 10.273 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -22.741 -29.866 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.486 -29.342 11.782 1.00 0.00 H new ATOM 826 N GLY A 52 -21.243 -26.941 10.846 1.00 0.00 N ATOM 827 CA GLY A 52 -21.422 -25.532 10.556 1.00 0.00 C ATOM 828 C GLY A 52 -20.691 -24.639 11.538 1.00 0.00 C ATOM 829 O GLY A 52 -21.308 -23.829 12.229 1.00 0.00 O ATOM 0 H GLY A 52 -20.428 -27.160 11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -21.066 -25.324 9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -22.485 -25.293 10.575 1.00 0.00 H new ATOM 833 N LYS A 53 -19.372 -24.787 11.602 1.00 0.00 N ATOM 834 CA LYS A 53 -18.555 -23.987 12.508 1.00 0.00 C ATOM 835 C LYS A 53 -17.613 -23.078 11.738 1.00 0.00 C ATOM 836 O LYS A 53 -16.564 -22.670 12.236 1.00 0.00 O ATOM 837 CB LYS A 53 -17.752 -24.895 13.426 1.00 0.00 C ATOM 838 CG LYS A 53 -17.604 -24.361 14.841 1.00 0.00 C ATOM 839 CD LYS A 53 -17.039 -25.416 15.778 1.00 0.00 C ATOM 840 CE LYS A 53 -15.519 -25.424 15.758 1.00 0.00 C ATOM 841 NZ LYS A 53 -14.968 -26.808 15.821 1.00 0.00 N ATOM 0 H LYS A 53 -18.846 -25.454 11.037 1.00 0.00 H new ATOM 0 HA LYS A 53 -19.224 -23.365 13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.232 -25.873 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.761 -25.044 12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.949 -23.490 14.836 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -18.575 -24.028 15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.389 -25.228 16.793 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.413 -26.398 15.489 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.166 -24.934 14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.142 -24.845 16.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.929 -26.769 15.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.284 -27.268 16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.306 -27.354 15.003 1.00 0.00 H new ATOM 855 N LYS A 54 -18.006 -22.769 10.522 1.00 0.00 N ATOM 856 CA LYS A 54 -17.223 -21.907 9.646 1.00 0.00 C ATOM 857 C LYS A 54 -18.104 -21.296 8.560 1.00 0.00 C ATOM 858 O LYS A 54 -19.245 -21.714 8.366 1.00 0.00 O ATOM 859 CB LYS A 54 -16.077 -22.697 9.008 1.00 0.00 C ATOM 860 CG LYS A 54 -14.747 -22.524 9.723 1.00 0.00 C ATOM 861 CD LYS A 54 -14.214 -21.106 9.574 1.00 0.00 C ATOM 862 CE LYS A 54 -13.212 -20.771 10.667 1.00 0.00 C ATOM 863 NZ LYS A 54 -11.838 -21.231 10.321 1.00 0.00 N ATOM 0 H LYS A 54 -18.875 -23.105 10.107 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.805 -21.100 10.248 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.339 -23.755 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.965 -22.385 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.868 -22.759 10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.022 -23.231 9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.741 -20.994 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.043 -20.399 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.203 -19.694 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.526 -21.235 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.501 -21.895 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.854 -21.708 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.198 -20.412 10.277 1.00 0.00 H new ATOM 877 N GLU A 55 -17.567 -20.306 7.855 1.00 0.00 N ATOM 878 CA GLU A 55 -18.306 -19.640 6.788 1.00 0.00 C ATOM 879 C GLU A 55 -17.359 -18.918 5.836 1.00 0.00 C ATOM 880 O GLU A 55 -17.422 -19.109 4.622 1.00 0.00 O ATOM 881 CB GLU A 55 -19.312 -18.648 7.378 1.00 0.00 C ATOM 882 CG GLU A 55 -18.720 -17.742 8.445 1.00 0.00 C ATOM 883 CD GLU A 55 -19.675 -17.499 9.597 1.00 0.00 C ATOM 884 OE1 GLU A 55 -20.875 -17.271 9.336 1.00 0.00 O ATOM 885 OE2 GLU A 55 -19.222 -17.535 10.761 1.00 0.00 O ATOM 0 H GLU A 55 -16.624 -19.947 8.003 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.845 -20.401 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.716 -18.033 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.147 -19.202 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.802 -18.188 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -18.448 -16.787 7.996 1.00 0.00 H new ATOM 892 N VAL A 56 -16.484 -18.089 6.394 1.00 0.00 N ATOM 893 CA VAL A 56 -15.527 -17.338 5.592 1.00 0.00 C ATOM 894 C VAL A 56 -14.232 -17.097 6.360 1.00 0.00 C ATOM 895 O VAL A 56 -14.254 -16.804 7.556 1.00 0.00 O ATOM 896 CB VAL A 56 -16.105 -15.982 5.148 1.00 0.00 C ATOM 897 CG1 VAL A 56 -17.224 -16.182 4.136 1.00 0.00 C ATOM 898 CG2 VAL A 56 -16.602 -15.194 6.352 1.00 0.00 C ATOM 0 H VAL A 56 -16.418 -17.920 7.398 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.316 -17.942 4.709 1.00 0.00 H new ATOM 0 HB VAL A 56 -15.311 -15.410 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.620 -15.212 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.835 -16.703 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.020 -16.774 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -17.007 -14.238 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.381 -15.761 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.774 -15.018 7.039 1.00 0.00 H new ATOM 908 N VAL A 57 -13.106 -17.223 5.665 1.00 0.00 N ATOM 909 CA VAL A 57 -11.802 -17.018 6.280 1.00 0.00 C ATOM 910 C VAL A 57 -10.854 -16.295 5.328 1.00 0.00 C ATOM 911 O VAL A 57 -11.137 -16.167 4.138 1.00 0.00 O ATOM 912 CB VAL A 57 -11.163 -18.354 6.703 1.00 0.00 C ATOM 913 CG1 VAL A 57 -11.905 -18.951 7.888 1.00 0.00 C ATOM 914 CG2 VAL A 57 -11.138 -19.327 5.534 1.00 0.00 C ATOM 0 H VAL A 57 -13.072 -17.466 4.675 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.964 -16.404 7.166 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.134 -18.163 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.438 -19.894 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.864 -18.259 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.945 -19.129 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.683 -20.265 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.157 -19.514 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.556 -18.900 4.717 1.00 0.00 H new ATOM 924 N ARG A 58 -9.732 -15.826 5.861 1.00 0.00 N ATOM 925 CA ARG A 58 -8.744 -15.115 5.058 1.00 0.00 C ATOM 926 C ARG A 58 -7.335 -15.610 5.368 1.00 0.00 C ATOM 927 O ARG A 58 -7.073 -16.124 6.455 1.00 0.00 O ATOM 928 CB ARG A 58 -8.837 -13.611 5.313 1.00 0.00 C ATOM 929 CG ARG A 58 -10.141 -12.994 4.833 1.00 0.00 C ATOM 930 CD ARG A 58 -10.459 -11.709 5.580 1.00 0.00 C ATOM 931 NE ARG A 58 -11.686 -11.083 5.095 1.00 0.00 N ATOM 932 CZ ARG A 58 -12.352 -10.142 5.760 1.00 0.00 C ATOM 933 NH1 ARG A 58 -11.910 -9.714 6.936 1.00 0.00 N ATOM 934 NH2 ARG A 58 -13.461 -9.628 5.247 1.00 0.00 N ATOM 0 H ARG A 58 -9.484 -15.925 6.845 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.956 -15.311 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.727 -13.424 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.004 -13.114 4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.075 -12.788 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.954 -13.707 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.558 -11.923 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.629 -11.011 5.471 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.054 -11.385 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.057 -10.106 7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.424 -8.993 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.803 -9.954 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.972 -8.907 5.756 1.00 0.00 H new ATOM 948 N LYS A 59 -6.432 -15.453 4.405 1.00 0.00 N ATOM 949 CA LYS A 59 -5.051 -15.885 4.577 1.00 0.00 C ATOM 950 C LYS A 59 -4.082 -14.822 4.067 1.00 0.00 C ATOM 951 O LYS A 59 -3.996 -14.571 2.865 1.00 0.00 O ATOM 952 CB LYS A 59 -4.812 -17.207 3.845 1.00 0.00 C ATOM 953 CG LYS A 59 -5.343 -17.220 2.419 1.00 0.00 C ATOM 954 CD LYS A 59 -5.811 -18.609 2.013 1.00 0.00 C ATOM 955 CE LYS A 59 -4.641 -19.517 1.673 1.00 0.00 C ATOM 956 NZ LYS A 59 -4.564 -20.690 2.588 1.00 0.00 N ATOM 0 H LYS A 59 -6.632 -15.030 3.499 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.872 -16.033 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.742 -17.414 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.283 -18.014 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.170 -16.516 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.563 -16.883 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.390 -19.050 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.475 -18.533 1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.738 -19.865 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.712 -18.950 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.753 -21.284 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.446 -20.359 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.440 -21.246 2.514 1.00 0.00 H new ATOM 970 N LYS A 60 -3.354 -14.201 4.990 1.00 0.00 N ATOM 971 CA LYS A 60 -2.390 -13.163 4.636 1.00 0.00 C ATOM 972 C LYS A 60 -1.352 -13.693 3.654 1.00 0.00 C ATOM 973 O LYS A 60 -0.455 -14.448 4.031 1.00 0.00 O ATOM 974 CB LYS A 60 -1.695 -12.633 5.894 1.00 0.00 C ATOM 975 CG LYS A 60 -1.262 -13.727 6.857 1.00 0.00 C ATOM 976 CD LYS A 60 -2.197 -13.820 8.054 1.00 0.00 C ATOM 977 CE LYS A 60 -2.554 -15.264 8.372 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.473 -15.949 9.132 1.00 0.00 N ATOM 0 H LYS A 60 -3.413 -14.398 5.989 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.933 -12.348 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.820 -12.053 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.370 -11.951 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.241 -14.684 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.247 -13.529 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.724 -13.361 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.107 -13.255 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.477 -15.291 8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.744 -15.804 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.755 -16.930 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.598 -15.946 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.309 -15.449 10.029 1.00 0.00 H new ATOM 992 N LEU A 61 -1.476 -13.292 2.392 1.00 0.00 N ATOM 993 CA LEU A 61 -0.542 -13.729 1.360 1.00 0.00 C ATOM 994 C LEU A 61 0.863 -13.216 1.650 1.00 0.00 C ATOM 995 O LEU A 61 1.824 -13.985 1.664 1.00 0.00 O ATOM 996 CB LEU A 61 -1.003 -13.244 -0.017 1.00 0.00 C ATOM 997 CG LEU A 61 -2.244 -13.946 -0.575 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.468 -13.553 -2.027 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.110 -15.456 -0.446 1.00 0.00 C ATOM 0 H LEU A 61 -2.211 -12.668 2.061 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.520 -14.819 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.206 -12.175 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.183 -13.375 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.109 -13.629 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.354 -14.061 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.610 -12.474 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.600 -13.842 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.002 -15.936 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.235 -15.792 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.997 -15.723 0.605 1.00 0.00 H new ATOM 1011 N PHE A 62 0.977 -11.912 1.885 1.00 0.00 N ATOM 1012 CA PHE A 62 2.267 -11.303 2.183 1.00 0.00 C ATOM 1013 C PHE A 62 2.448 -11.141 3.694 1.00 0.00 C ATOM 1014 O PHE A 62 1.751 -10.346 4.326 1.00 0.00 O ATOM 1015 CB PHE A 62 2.388 -9.944 1.487 1.00 0.00 C ATOM 1016 CG PHE A 62 2.233 -10.016 -0.006 1.00 0.00 C ATOM 1017 CD1 PHE A 62 3.323 -10.290 -0.815 1.00 0.00 C ATOM 1018 CD2 PHE A 62 0.999 -9.807 -0.599 1.00 0.00 C ATOM 1019 CE1 PHE A 62 3.185 -10.354 -2.190 1.00 0.00 C ATOM 1020 CE2 PHE A 62 0.855 -9.869 -1.971 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.949 -10.144 -2.768 1.00 0.00 C ATOM 0 H PHE A 62 0.193 -11.259 1.875 1.00 0.00 H new ATOM 0 HA PHE A 62 3.052 -11.960 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.632 -9.270 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.360 -9.510 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.292 -10.456 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.139 -9.593 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.043 -10.568 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.113 -9.703 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.838 -10.195 -3.841 1.00 0.00 H new ATOM 1031 N PRO A 63 3.385 -11.898 4.300 1.00 0.00 N ATOM 1032 CA PRO A 63 3.636 -11.836 5.744 1.00 0.00 C ATOM 1033 C PRO A 63 4.055 -10.446 6.210 1.00 0.00 C ATOM 1034 O PRO A 63 5.050 -9.893 5.742 1.00 0.00 O ATOM 1035 CB PRO A 63 4.775 -12.841 5.966 1.00 0.00 C ATOM 1036 CG PRO A 63 5.379 -13.049 4.620 1.00 0.00 C ATOM 1037 CD PRO A 63 4.262 -12.876 3.634 1.00 0.00 C ATOM 0 HA PRO A 63 2.735 -12.065 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.510 -12.454 6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.399 -13.778 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.177 -12.330 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.820 -14.043 4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.624 -12.507 2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.745 -13.816 3.440 1.00 0.00 H new ATOM 1045 N GLY A 64 3.288 -9.890 7.146 1.00 0.00 N ATOM 1046 CA GLY A 64 3.587 -8.572 7.678 1.00 0.00 C ATOM 1047 C GLY A 64 3.863 -7.541 6.600 1.00 0.00 C ATOM 1048 O GLY A 64 4.801 -6.754 6.716 1.00 0.00 O ATOM 0 H GLY A 64 2.461 -10.332 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.749 -8.235 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.453 -8.641 8.336 1.00 0.00 H new ATOM 1052 N TYR A 65 3.047 -7.546 5.550 1.00 0.00 N ATOM 1053 CA TYR A 65 3.214 -6.600 4.452 1.00 0.00 C ATOM 1054 C TYR A 65 1.998 -5.686 4.331 1.00 0.00 C ATOM 1055 O TYR A 65 0.999 -5.869 5.027 1.00 0.00 O ATOM 1056 CB TYR A 65 3.440 -7.350 3.138 1.00 0.00 C ATOM 1057 CG TYR A 65 4.890 -7.401 2.712 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.538 -6.264 2.244 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.612 -8.586 2.775 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.862 -6.307 1.853 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.936 -8.639 2.385 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.556 -7.496 1.925 1.00 0.00 C ATOM 1063 OH TYR A 65 8.876 -7.543 1.537 1.00 0.00 O ATOM 0 H TYR A 65 2.266 -8.192 5.437 1.00 0.00 H new ATOM 0 HA TYR A 65 4.087 -5.983 4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.064 -8.368 3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.855 -6.873 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.997 -5.331 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.129 -9.482 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.351 -5.414 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.482 -9.569 2.440 1.00 0.00 H new ATOM 0 HH TYR A 65 9.218 -8.454 1.651 1.00 0.00 H new ATOM 1073 N LEU A 66 2.090 -4.700 3.442 1.00 0.00 N ATOM 1074 CA LEU A 66 0.995 -3.757 3.231 1.00 0.00 C ATOM 1075 C LEU A 66 1.127 -3.058 1.880 1.00 0.00 C ATOM 1076 O LEU A 66 2.231 -2.888 1.363 1.00 0.00 O ATOM 1077 CB LEU A 66 0.967 -2.717 4.354 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.347 -1.948 4.489 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -1.349 -2.743 5.310 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.104 -0.584 5.119 1.00 0.00 C ATOM 0 H LEU A 66 2.909 -4.534 2.858 1.00 0.00 H new ATOM 0 HA LEU A 66 0.061 -4.318 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.176 -3.219 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.773 -2.003 4.188 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.762 -1.798 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.278 -2.180 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.546 -3.696 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.942 -2.924 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.050 -0.050 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.334 -0.713 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.579 -0.010 4.492 1.00 0.00 H new ATOM 1092 N PHE A 67 -0.007 -2.652 1.318 1.00 0.00 N ATOM 1093 CA PHE A 67 -0.022 -1.965 0.029 1.00 0.00 C ATOM 1094 C PHE A 67 -0.772 -0.642 0.136 1.00 0.00 C ATOM 1095 O PHE A 67 -1.951 -0.614 0.492 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.670 -2.851 -1.036 1.00 0.00 C ATOM 1097 CG PHE A 67 0.092 -4.118 -1.306 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.303 -4.083 -1.976 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.405 -5.343 -0.886 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.007 -5.246 -2.223 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.295 -6.509 -1.131 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.503 -6.461 -1.800 1.00 0.00 C ATOM 0 H PHE A 67 -0.928 -2.786 1.734 1.00 0.00 H new ATOM 0 HA PHE A 67 1.008 -1.758 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.682 -3.105 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.759 -2.285 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.702 -3.136 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.349 -5.386 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.951 -5.205 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.102 -7.457 -0.800 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.052 -7.371 -1.992 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.084 0.456 -0.167 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.693 1.779 -0.092 1.00 0.00 C ATOM 1114 C ILE A 68 -0.453 2.581 -1.366 1.00 0.00 C ATOM 1115 O ILE A 68 0.681 2.933 -1.687 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.153 2.584 1.108 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.088 1.668 2.310 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.120 3.701 1.472 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.534 1.249 2.469 1.00 0.00 C ATOM 0 H ILE A 68 0.891 0.455 -0.465 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.763 1.616 0.034 1.00 0.00 H new ATOM 0 HB ILE A 68 0.801 3.029 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.236 2.179 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.531 0.777 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.726 4.261 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.240 4.370 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.087 3.273 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.631 0.601 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.857 0.710 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.157 2.134 2.603 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.533 2.880 -2.079 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.450 3.657 -3.310 1.00 0.00 C ATOM 1133 C GLN A 69 -1.413 5.145 -2.994 1.00 0.00 C ATOM 1134 O GLN A 69 -2.379 5.869 -3.247 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.643 3.348 -4.209 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.509 3.895 -5.620 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.854 4.164 -6.263 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.378 5.277 -6.198 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.427 3.141 -6.887 1.00 0.00 N ATOM 0 H GLN A 69 -2.479 2.595 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.532 3.384 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.777 2.267 -4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.544 3.760 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.929 4.818 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.952 3.185 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.959 2.235 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.335 3.261 -7.336 1.00 0.00 H new ATOM 1148 N MET A 70 -0.297 5.585 -2.427 1.00 0.00 N ATOM 1149 CA MET A 70 -0.118 6.986 -2.062 1.00 0.00 C ATOM 1150 C MET A 70 0.533 7.768 -3.200 1.00 0.00 C ATOM 1151 O MET A 70 0.648 7.274 -4.322 1.00 0.00 O ATOM 1152 CB MET A 70 0.721 7.099 -0.787 1.00 0.00 C ATOM 1153 CG MET A 70 2.120 6.519 -0.919 1.00 0.00 C ATOM 1154 SD MET A 70 2.700 5.757 0.608 1.00 0.00 S ATOM 1155 CE MET A 70 2.521 7.120 1.756 1.00 0.00 C ATOM 0 H MET A 70 0.502 4.989 -2.209 1.00 0.00 H new ATOM 0 HA MET A 70 -1.101 7.418 -1.874 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.798 8.149 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.202 6.589 0.025 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.128 5.777 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.811 7.309 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.306 7.065 2.511 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.602 8.063 1.216 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.546 7.062 2.241 1.00 0.00 H new ATOM 1165 N ASP A 71 0.964 8.989 -2.900 1.00 0.00 N ATOM 1166 CA ASP A 71 1.614 9.839 -3.891 1.00 0.00 C ATOM 1167 C ASP A 71 2.785 10.592 -3.265 1.00 0.00 C ATOM 1168 O ASP A 71 2.908 11.808 -3.413 1.00 0.00 O ATOM 1169 CB ASP A 71 0.611 10.829 -4.485 1.00 0.00 C ATOM 1170 CG ASP A 71 1.216 11.667 -5.595 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.147 11.178 -6.268 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.761 12.814 -5.789 1.00 0.00 O ATOM 0 H ASP A 71 0.875 9.413 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 71 1.995 9.203 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.249 10.283 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.242 11.486 -3.697 1.00 0.00 H new ATOM 1177 N LEU A 72 3.641 9.858 -2.561 1.00 0.00 N ATOM 1178 CA LEU A 72 4.800 10.454 -1.907 1.00 0.00 C ATOM 1179 C LEU A 72 5.930 10.684 -2.903 1.00 0.00 C ATOM 1180 O LEU A 72 6.715 11.622 -2.758 1.00 0.00 O ATOM 1181 CB LEU A 72 5.286 9.558 -0.766 1.00 0.00 C ATOM 1182 CG LEU A 72 5.702 8.143 -1.178 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.160 8.118 -1.606 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.465 7.166 -0.037 1.00 0.00 C ATOM 0 H LEU A 72 3.554 8.850 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 72 4.498 11.419 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.134 10.042 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.494 9.484 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 72 5.090 7.838 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.437 7.104 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.302 8.789 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.788 8.443 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.766 6.165 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.052 7.470 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.407 7.162 0.225 1.00 0.00 H new ATOM 1196 N GLY A 73 6.008 9.824 -3.912 1.00 0.00 N ATOM 1197 CA GLY A 73 7.046 9.951 -4.918 1.00 0.00 C ATOM 1198 C GLY A 73 7.021 11.300 -5.610 1.00 0.00 C ATOM 1199 O GLY A 73 6.374 11.462 -6.645 1.00 0.00 O ATOM 0 H GLY A 73 5.370 9.040 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.020 9.804 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.926 9.163 -5.661 1.00 0.00 H new ATOM 1203 N ASP A 74 7.725 12.272 -5.037 1.00 0.00 N ATOM 1204 CA ASP A 74 7.780 13.614 -5.604 1.00 0.00 C ATOM 1205 C ASP A 74 9.057 13.811 -6.413 1.00 0.00 C ATOM 1206 O ASP A 74 9.043 13.741 -7.643 1.00 0.00 O ATOM 1207 CB ASP A 74 7.693 14.664 -4.496 1.00 0.00 C ATOM 1208 CG ASP A 74 6.264 15.083 -4.208 1.00 0.00 C ATOM 1209 OD1 ASP A 74 5.340 14.320 -4.558 1.00 0.00 O ATOM 1210 OD2 ASP A 74 6.071 16.175 -3.632 1.00 0.00 O ATOM 0 H ASP A 74 8.265 12.154 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 74 6.928 13.734 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.143 14.266 -3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.275 15.540 -4.783 1.00 0.00 H new ATOM 1215 N GLU A 75 10.159 14.056 -5.716 1.00 0.00 N ATOM 1216 CA GLU A 75 11.446 14.264 -6.369 1.00 0.00 C ATOM 1217 C GLU A 75 12.593 14.138 -5.374 1.00 0.00 C ATOM 1218 O GLU A 75 13.377 13.191 -5.431 1.00 0.00 O ATOM 1219 CB GLU A 75 11.485 15.639 -7.039 1.00 0.00 C ATOM 1220 CG GLU A 75 12.759 15.895 -7.829 1.00 0.00 C ATOM 1221 CD GLU A 75 13.245 17.325 -7.701 1.00 0.00 C ATOM 1222 OE1 GLU A 75 12.432 18.250 -7.908 1.00 0.00 O ATOM 1223 OE2 GLU A 75 14.440 17.520 -7.393 1.00 0.00 O ATOM 0 H GLU A 75 10.188 14.116 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 75 11.566 13.492 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.628 15.733 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.380 16.409 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.539 15.217 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.582 15.668 -8.880 1.00 0.00 H new ATOM 1230 N GLU A 76 12.687 15.103 -4.470 1.00 0.00 N ATOM 1231 CA GLU A 76 13.741 15.109 -3.463 1.00 0.00 C ATOM 1232 C GLU A 76 13.447 14.107 -2.350 1.00 0.00 C ATOM 1233 O GLU A 76 13.961 12.988 -2.360 1.00 0.00 O ATOM 1234 CB GLU A 76 13.909 16.514 -2.878 1.00 0.00 C ATOM 1235 CG GLU A 76 14.947 17.354 -3.607 1.00 0.00 C ATOM 1236 CD GLU A 76 15.040 18.766 -3.063 1.00 0.00 C ATOM 1237 OE1 GLU A 76 14.293 19.640 -3.549 1.00 0.00 O ATOM 1238 OE2 GLU A 76 15.862 18.997 -2.150 1.00 0.00 O ATOM 0 H GLU A 76 12.045 15.894 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 76 14.671 14.813 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.949 17.029 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.192 16.431 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.921 16.872 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.698 17.393 -4.668 1.00 0.00 H new ATOM 1245 N GLU A 77 12.621 14.513 -1.392 1.00 0.00 N ATOM 1246 CA GLU A 77 12.266 13.645 -0.273 1.00 0.00 C ATOM 1247 C GLU A 77 10.759 13.673 -0.015 1.00 0.00 C ATOM 1248 O GLU A 77 10.135 14.733 -0.053 1.00 0.00 O ATOM 1249 CB GLU A 77 13.022 14.072 0.988 1.00 0.00 C ATOM 1250 CG GLU A 77 14.049 13.052 1.454 1.00 0.00 C ATOM 1251 CD GLU A 77 15.460 13.606 1.469 1.00 0.00 C ATOM 1252 OE1 GLU A 77 15.886 14.169 0.439 1.00 0.00 O ATOM 1253 OE2 GLU A 77 16.139 13.477 2.510 1.00 0.00 O ATOM 0 H GLU A 77 12.185 15.435 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 77 12.550 12.625 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.524 15.020 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.305 14.247 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.787 12.710 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.012 12.181 0.800 1.00 0.00 H new ATOM 1260 N PRO A 78 10.154 12.500 0.249 1.00 0.00 N ATOM 1261 CA PRO A 78 8.718 12.394 0.511 1.00 0.00 C ATOM 1262 C PRO A 78 8.356 12.731 1.954 1.00 0.00 C ATOM 1263 O PRO A 78 8.317 11.853 2.813 1.00 0.00 O ATOM 1264 CB PRO A 78 8.433 10.923 0.224 1.00 0.00 C ATOM 1265 CG PRO A 78 9.694 10.220 0.593 1.00 0.00 C ATOM 1266 CD PRO A 78 10.820 11.183 0.310 1.00 0.00 C ATOM 0 HA PRO A 78 8.138 13.093 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.590 10.560 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.182 10.764 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.684 9.933 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.812 9.304 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.577 11.154 1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.323 10.946 -0.628 1.00 0.00 H new ATOM 1274 N ASN A 79 8.091 14.006 2.212 1.00 0.00 N ATOM 1275 CA ASN A 79 7.729 14.454 3.553 1.00 0.00 C ATOM 1276 C ASN A 79 6.217 14.400 3.752 1.00 0.00 C ATOM 1277 O ASN A 79 5.493 13.830 2.936 1.00 0.00 O ATOM 1278 CB ASN A 79 8.239 15.878 3.789 1.00 0.00 C ATOM 1279 CG ASN A 79 7.613 16.883 2.843 1.00 0.00 C ATOM 1280 OD1 ASN A 79 6.604 17.513 3.166 1.00 0.00 O ATOM 1281 ND2 ASN A 79 8.205 17.038 1.666 1.00 0.00 N ATOM 0 H ASN A 79 8.120 14.748 1.512 1.00 0.00 H new ATOM 0 HA ASN A 79 8.196 13.784 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.027 16.171 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.322 15.897 3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.826 17.699 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.039 16.496 1.439 1.00 0.00 H new ATOM 1288 N GLU A 80 5.747 15.005 4.841 1.00 0.00 N ATOM 1289 CA GLU A 80 4.321 15.041 5.154 1.00 0.00 C ATOM 1290 C GLU A 80 3.726 13.634 5.240 1.00 0.00 C ATOM 1291 O GLU A 80 3.576 13.083 6.329 1.00 0.00 O ATOM 1292 CB GLU A 80 3.576 15.885 4.115 1.00 0.00 C ATOM 1293 CG GLU A 80 2.154 16.242 4.519 1.00 0.00 C ATOM 1294 CD GLU A 80 2.066 16.801 5.925 1.00 0.00 C ATOM 1295 OE1 GLU A 80 2.132 16.006 6.886 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.932 18.036 6.066 1.00 0.00 O ATOM 0 H GLU A 80 6.337 15.479 5.525 1.00 0.00 H new ATOM 0 HA GLU A 80 4.202 15.502 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.135 16.804 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.550 15.342 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.754 16.973 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.526 15.354 4.446 1.00 0.00 H new ATOM 1303 N ALA A 81 3.389 13.060 4.090 1.00 0.00 N ATOM 1304 CA ALA A 81 2.808 11.722 4.041 1.00 0.00 C ATOM 1305 C ALA A 81 3.704 10.701 4.733 1.00 0.00 C ATOM 1306 O ALA A 81 3.226 9.849 5.481 1.00 0.00 O ATOM 1307 CB ALA A 81 2.553 11.311 2.599 1.00 0.00 C ATOM 0 H ALA A 81 3.508 13.501 3.178 1.00 0.00 H new ATOM 0 HA ALA A 81 1.858 11.749 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.120 10.311 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.862 12.016 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.494 11.311 2.049 1.00 0.00 H new ATOM 1313 N TRP A 82 5.005 10.790 4.479 1.00 0.00 N ATOM 1314 CA TRP A 82 5.961 9.867 5.080 1.00 0.00 C ATOM 1315 C TRP A 82 6.285 10.277 6.512 1.00 0.00 C ATOM 1316 O TRP A 82 6.488 9.430 7.382 1.00 0.00 O ATOM 1317 CB TRP A 82 7.245 9.809 4.252 1.00 0.00 C ATOM 1318 CG TRP A 82 7.954 8.493 4.347 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.279 8.293 4.607 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.375 7.193 4.186 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.559 6.949 4.615 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.408 6.252 4.360 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.083 6.733 3.910 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.188 4.880 4.267 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 5.867 5.371 3.819 1.00 0.00 C ATOM 1326 CH2 TRP A 82 6.914 4.458 3.998 1.00 0.00 C ATOM 0 H TRP A 82 5.421 11.489 3.863 1.00 0.00 H new ATOM 0 HA TRP A 82 5.506 8.877 5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.005 10.010 3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.918 10.601 4.582 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.001 9.077 4.781 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.476 6.536 4.784 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.269 7.429 3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 8.994 4.174 4.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 4.874 5.004 3.606 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.712 3.400 3.922 1.00 0.00 H new ATOM 1337 N GLU A 83 6.331 11.583 6.752 1.00 0.00 N ATOM 1338 CA GLU A 83 6.627 12.107 8.079 1.00 0.00 C ATOM 1339 C GLU A 83 5.636 11.575 9.110 1.00 0.00 C ATOM 1340 O GLU A 83 5.957 11.459 10.294 1.00 0.00 O ATOM 1341 CB GLU A 83 6.596 13.637 8.068 1.00 0.00 C ATOM 1342 CG GLU A 83 7.917 14.270 7.660 1.00 0.00 C ATOM 1343 CD GLU A 83 8.450 15.235 8.701 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.699 14.797 9.843 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.617 16.429 8.373 1.00 0.00 O ATOM 0 H GLU A 83 6.167 12.298 6.044 1.00 0.00 H new ATOM 0 HA GLU A 83 7.627 11.773 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.816 13.971 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.323 13.994 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.653 13.485 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.786 14.797 6.715 1.00 0.00 H new ATOM 1352 N VAL A 84 4.429 11.254 8.654 1.00 0.00 N ATOM 1353 CA VAL A 84 3.391 10.735 9.535 1.00 0.00 C ATOM 1354 C VAL A 84 3.487 9.219 9.665 1.00 0.00 C ATOM 1355 O VAL A 84 3.517 8.680 10.773 1.00 0.00 O ATOM 1356 CB VAL A 84 1.984 11.108 9.029 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.930 10.733 10.057 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.912 12.591 8.692 1.00 0.00 C ATOM 0 H VAL A 84 4.147 11.345 7.678 1.00 0.00 H new ATOM 0 HA VAL A 84 3.550 11.192 10.512 1.00 0.00 H new ATOM 0 HB VAL A 84 1.784 10.544 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.057 11.004 9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.966 9.659 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.123 11.266 10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.911 12.835 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.134 13.178 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.640 12.823 7.914 1.00 0.00 H new ATOM 1368 N VAL A 85 3.534 8.534 8.527 1.00 0.00 N ATOM 1369 CA VAL A 85 3.627 7.079 8.514 1.00 0.00 C ATOM 1370 C VAL A 85 4.871 6.601 9.254 1.00 0.00 C ATOM 1371 O VAL A 85 4.799 5.707 10.099 1.00 0.00 O ATOM 1372 CB VAL A 85 3.657 6.529 7.075 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.583 5.008 7.080 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.524 7.123 6.248 1.00 0.00 C ATOM 0 H VAL A 85 3.509 8.963 7.602 1.00 0.00 H new ATOM 0 HA VAL A 85 2.738 6.702 9.020 1.00 0.00 H new ATOM 0 HB VAL A 85 4.601 6.822 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.605 4.639 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.433 4.604 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.657 4.690 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.563 6.722 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.568 6.866 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.629 8.207 6.213 1.00 0.00 H new ATOM 1384 N ARG A 86 6.012 7.200 8.934 1.00 0.00 N ATOM 1385 CA ARG A 86 7.274 6.836 9.571 1.00 0.00 C ATOM 1386 C ARG A 86 7.200 7.034 11.083 1.00 0.00 C ATOM 1387 O ARG A 86 7.951 6.414 11.835 1.00 0.00 O ATOM 1388 CB ARG A 86 8.419 7.667 8.992 1.00 0.00 C ATOM 1389 CG ARG A 86 9.772 6.976 9.070 1.00 0.00 C ATOM 1390 CD ARG A 86 10.743 7.526 8.038 1.00 0.00 C ATOM 1391 NE ARG A 86 11.896 8.171 8.660 1.00 0.00 N ATOM 1392 CZ ARG A 86 11.873 9.398 9.175 1.00 0.00 C ATOM 1393 NH1 ARG A 86 10.757 10.116 9.145 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.968 9.909 9.721 1.00 0.00 N ATOM 0 H ARG A 86 6.090 7.940 8.237 1.00 0.00 H new ATOM 0 HA ARG A 86 7.461 5.781 9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.198 7.899 7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.474 8.616 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.190 7.105 10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.643 5.905 8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.085 6.716 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.226 8.244 7.401 1.00 0.00 H new ATOM 0 HE ARG A 86 12.772 7.650 8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.912 9.728 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.744 11.056 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.828 9.362 9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.950 10.849 10.116 1.00 0.00 H new ATOM 1408 N GLY A 87 6.292 7.902 11.521 1.00 0.00 N ATOM 1409 CA GLY A 87 6.142 8.166 12.940 1.00 0.00 C ATOM 1410 C GLY A 87 5.226 7.171 13.626 1.00 0.00 C ATOM 1411 O GLY A 87 5.343 6.938 14.829 1.00 0.00 O ATOM 0 H GLY A 87 5.658 8.427 10.918 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.122 8.140 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.747 9.173 13.079 1.00 0.00 H new ATOM 1415 N THR A 88 4.308 6.585 12.862 1.00 0.00 N ATOM 1416 CA THR A 88 3.368 5.611 13.410 1.00 0.00 C ATOM 1417 C THR A 88 4.109 4.439 14.052 1.00 0.00 C ATOM 1418 O THR A 88 5.148 4.004 13.553 1.00 0.00 O ATOM 1419 CB THR A 88 2.430 5.099 12.315 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.149 4.352 11.349 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.696 6.205 11.588 1.00 0.00 C ATOM 0 H THR A 88 4.195 6.767 11.865 1.00 0.00 H new ATOM 0 HA THR A 88 2.777 6.109 14.179 1.00 0.00 H new ATOM 0 HB THR A 88 1.697 4.478 12.830 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.043 4.738 11.236 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.049 5.772 10.825 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.092 6.769 12.299 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.418 6.871 11.116 1.00 0.00 H new ATOM 1429 N PRO A 89 3.584 3.911 15.172 1.00 0.00 N ATOM 1430 CA PRO A 89 4.203 2.784 15.878 1.00 0.00 C ATOM 1431 C PRO A 89 4.079 1.471 15.108 1.00 0.00 C ATOM 1432 O PRO A 89 4.754 0.491 15.426 1.00 0.00 O ATOM 1433 CB PRO A 89 3.416 2.712 17.187 1.00 0.00 C ATOM 1434 CG PRO A 89 2.088 3.301 16.864 1.00 0.00 C ATOM 1435 CD PRO A 89 2.347 4.367 15.835 1.00 0.00 C ATOM 0 HA PRO A 89 5.275 2.930 16.014 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.319 1.683 17.534 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.914 3.270 17.980 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.408 2.542 16.477 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.621 3.723 17.754 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.521 4.453 15.129 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.476 5.347 16.295 1.00 0.00 H new ATOM 1443 N GLY A 90 3.213 1.455 14.100 1.00 0.00 N ATOM 1444 CA GLY A 90 3.021 0.254 13.309 1.00 0.00 C ATOM 1445 C GLY A 90 4.245 -0.108 12.490 1.00 0.00 C ATOM 1446 O GLY A 90 4.472 -1.280 12.187 1.00 0.00 O ATOM 0 H GLY A 90 2.642 2.251 13.817 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.773 -0.576 13.970 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.171 0.395 12.642 1.00 0.00 H new ATOM 1450 N ILE A 91 5.033 0.897 12.130 1.00 0.00 N ATOM 1451 CA ILE A 91 6.240 0.677 11.340 1.00 0.00 C ATOM 1452 C ILE A 91 7.420 0.299 12.230 1.00 0.00 C ATOM 1453 O ILE A 91 7.478 0.683 13.397 1.00 0.00 O ATOM 1454 CB ILE A 91 6.610 1.926 10.516 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.395 2.423 9.731 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.765 1.618 9.574 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.870 1.418 8.730 1.00 0.00 C ATOM 0 H ILE A 91 4.859 1.873 12.372 1.00 0.00 H new ATOM 0 HA ILE A 91 6.025 -0.146 10.659 1.00 0.00 H new ATOM 0 HB ILE A 91 6.925 2.714 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.599 2.676 10.431 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.662 3.341 9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.014 2.510 9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.634 1.306 10.153 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.476 0.817 8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.009 1.838 8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.651 1.183 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.571 0.508 9.250 1.00 0.00 H new ATOM 1469 N THR A 92 8.359 -0.454 11.668 1.00 0.00 N ATOM 1470 CA THR A 92 9.540 -0.884 12.407 1.00 0.00 C ATOM 1471 C THR A 92 10.702 -1.167 11.460 1.00 0.00 C ATOM 1472 O THR A 92 11.806 -0.659 11.647 1.00 0.00 O ATOM 1473 CB THR A 92 9.222 -2.131 13.235 1.00 0.00 C ATOM 1474 OG1 THR A 92 8.155 -2.859 12.655 1.00 0.00 O ATOM 1475 CG2 THR A 92 8.844 -1.819 14.666 1.00 0.00 C ATOM 0 H THR A 92 8.325 -0.780 10.702 1.00 0.00 H new ATOM 0 HA THR A 92 9.833 -0.077 13.078 1.00 0.00 H new ATOM 0 HB THR A 92 10.141 -2.717 13.240 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.968 -3.653 13.198 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.631 -2.747 15.197 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.669 -1.302 15.156 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.959 -1.183 14.678 1.00 0.00 H new ATOM 1483 N GLY A 93 10.444 -1.983 10.443 1.00 0.00 N ATOM 1484 CA GLY A 93 11.477 -2.321 9.482 1.00 0.00 C ATOM 1485 C GLY A 93 11.027 -2.116 8.050 1.00 0.00 C ATOM 1486 O GLY A 93 9.830 -2.030 7.774 1.00 0.00 O ATOM 0 H GLY A 93 9.537 -2.416 10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.360 -1.711 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.772 -3.361 9.621 1.00 0.00 H new ATOM 1490 N PHE A 94 11.987 -2.039 7.134 1.00 0.00 N ATOM 1491 CA PHE A 94 11.682 -1.843 5.721 1.00 0.00 C ATOM 1492 C PHE A 94 12.500 -2.794 4.852 1.00 0.00 C ATOM 1493 O PHE A 94 13.260 -3.617 5.360 1.00 0.00 O ATOM 1494 CB PHE A 94 11.959 -0.395 5.314 1.00 0.00 C ATOM 1495 CG PHE A 94 13.275 0.130 5.814 1.00 0.00 C ATOM 1496 CD1 PHE A 94 14.450 -0.144 5.131 1.00 0.00 C ATOM 1497 CD2 PHE A 94 13.338 0.897 6.966 1.00 0.00 C ATOM 1498 CE1 PHE A 94 15.661 0.337 5.588 1.00 0.00 C ATOM 1499 CE2 PHE A 94 14.547 1.381 7.427 1.00 0.00 C ATOM 1500 CZ PHE A 94 15.710 1.100 6.738 1.00 0.00 C ATOM 0 H PHE A 94 12.983 -2.109 7.345 1.00 0.00 H new ATOM 0 HA PHE A 94 10.624 -2.059 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.938 -0.322 4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 94 11.157 0.239 5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 94 14.418 -0.740 4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.432 1.119 7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 94 16.569 0.117 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 94 14.582 1.979 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 94 16.656 1.476 7.098 1.00 0.00 H new ATOM 1510 N VAL A 95 12.335 -2.675 3.539 1.00 0.00 N ATOM 1511 CA VAL A 95 13.056 -3.523 2.597 1.00 0.00 C ATOM 1512 C VAL A 95 14.565 -3.367 2.756 1.00 0.00 C ATOM 1513 O VAL A 95 15.090 -2.254 2.721 1.00 0.00 O ATOM 1514 CB VAL A 95 12.668 -3.206 1.141 1.00 0.00 C ATOM 1515 CG1 VAL A 95 11.296 -3.775 0.816 1.00 0.00 C ATOM 1516 CG2 VAL A 95 12.703 -1.704 0.894 1.00 0.00 C ATOM 0 H VAL A 95 11.708 -1.999 3.103 1.00 0.00 H new ATOM 0 HA VAL A 95 12.775 -4.552 2.823 1.00 0.00 H new ATOM 0 HB VAL A 95 13.396 -3.677 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.040 -3.540 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.310 -4.857 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.553 -3.336 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.426 -1.499 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.999 -1.209 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 95 13.709 -1.328 1.082 1.00 0.00 H new ATOM 1526 N GLY A 96 15.256 -4.489 2.931 1.00 0.00 N ATOM 1527 CA GLY A 96 16.697 -4.456 3.093 1.00 0.00 C ATOM 1528 C GLY A 96 17.423 -4.119 1.804 1.00 0.00 C ATOM 1529 O GLY A 96 18.596 -3.744 1.827 1.00 0.00 O ATOM 0 H GLY A 96 14.843 -5.421 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.956 -3.720 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.040 -5.425 3.456 1.00 0.00 H new ATOM 1533 N ALA A 97 16.729 -4.251 0.676 1.00 0.00 N ATOM 1534 CA ALA A 97 17.319 -3.958 -0.625 1.00 0.00 C ATOM 1535 C ALA A 97 17.898 -2.546 -0.665 1.00 0.00 C ATOM 1536 O ALA A 97 18.853 -2.278 -1.394 1.00 0.00 O ATOM 1537 CB ALA A 97 16.283 -4.133 -1.725 1.00 0.00 C ATOM 0 H ALA A 97 15.757 -4.559 0.638 1.00 0.00 H new ATOM 0 HA ALA A 97 18.135 -4.662 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.737 -3.911 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.920 -5.161 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 97 15.449 -3.453 -1.551 1.00 0.00 H new ATOM 1543 N GLY A 98 17.315 -1.651 0.124 1.00 0.00 N ATOM 1544 CA GLY A 98 17.787 -0.280 0.164 1.00 0.00 C ATOM 1545 C GLY A 98 17.411 0.424 1.453 1.00 0.00 C ATOM 1546 O GLY A 98 17.575 -0.128 2.539 1.00 0.00 O ATOM 0 H GLY A 98 16.524 -1.850 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.871 -0.268 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.372 0.269 -0.681 1.00 0.00 H new ATOM 1550 N MET A 99 16.905 1.647 1.330 1.00 0.00 N ATOM 1551 CA MET A 99 16.503 2.427 2.495 1.00 0.00 C ATOM 1552 C MET A 99 15.047 2.864 2.379 1.00 0.00 C ATOM 1553 O MET A 99 14.262 2.697 3.313 1.00 0.00 O ATOM 1554 CB MET A 99 17.405 3.654 2.648 1.00 0.00 C ATOM 1555 CG MET A 99 17.614 4.079 4.093 1.00 0.00 C ATOM 1556 SD MET A 99 16.359 5.241 4.663 1.00 0.00 S ATOM 1557 CE MET A 99 16.599 6.594 3.515 1.00 0.00 C ATOM 0 H MET A 99 16.764 2.119 0.437 1.00 0.00 H new ATOM 0 HA MET A 99 16.606 1.796 3.378 1.00 0.00 H new ATOM 0 HB2 MET A 99 18.374 3.441 2.197 1.00 0.00 H new ATOM 0 HB3 MET A 99 16.971 4.485 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 99 17.604 3.196 4.732 1.00 0.00 H new ATOM 0 HG3 MET A 99 18.599 4.535 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 99 16.561 7.540 4.055 1.00 0.00 H new ATOM 0 HE2 MET A 99 17.570 6.492 3.030 1.00 0.00 H new ATOM 0 HE3 MET A 99 15.813 6.575 2.760 1.00 0.00 H new ATOM 1567 N ARG A 100 14.691 3.423 1.228 1.00 0.00 N ATOM 1568 CA ARG A 100 13.330 3.883 0.988 1.00 0.00 C ATOM 1569 C ARG A 100 12.424 2.720 0.590 1.00 0.00 C ATOM 1570 O ARG A 100 12.903 1.659 0.188 1.00 0.00 O ATOM 1571 CB ARG A 100 13.317 4.953 -0.106 1.00 0.00 C ATOM 1572 CG ARG A 100 14.200 6.150 0.206 1.00 0.00 C ATOM 1573 CD ARG A 100 14.941 6.635 -1.031 1.00 0.00 C ATOM 1574 NE ARG A 100 16.089 5.789 -1.347 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.214 5.769 -0.635 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.344 6.544 0.435 1.00 0.00 N ATOM 1577 NH2 ARG A 100 18.209 4.970 -0.992 1.00 0.00 N ATOM 0 H ARG A 100 15.328 3.568 0.445 1.00 0.00 H new ATOM 0 HA ARG A 100 12.950 4.315 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.644 4.505 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.293 5.296 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.589 6.959 0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.919 5.881 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.258 6.651 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.278 7.660 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 100 16.025 5.178 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.580 7.159 0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.208 6.525 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.113 4.371 -1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 100 19.071 4.954 -0.447 1.00 0.00 H new ATOM 1591 N PRO A 101 11.095 2.904 0.698 1.00 0.00 N ATOM 1592 CA PRO A 101 10.120 1.863 0.350 1.00 0.00 C ATOM 1593 C PRO A 101 10.319 1.330 -1.065 1.00 0.00 C ATOM 1594 O PRO A 101 11.336 1.602 -1.704 1.00 0.00 O ATOM 1595 CB PRO A 101 8.775 2.586 0.462 1.00 0.00 C ATOM 1596 CG PRO A 101 9.023 3.703 1.414 1.00 0.00 C ATOM 1597 CD PRO A 101 10.441 4.138 1.175 1.00 0.00 C ATOM 0 HA PRO A 101 10.208 0.991 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.444 2.958 -0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 101 7.996 1.918 0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.328 4.525 1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.883 3.377 2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.498 4.936 0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.906 4.514 2.086 1.00 0.00 H new ATOM 1605 N VAL A 102 9.346 0.565 -1.549 1.00 0.00 N ATOM 1606 CA VAL A 102 9.421 -0.009 -2.887 1.00 0.00 C ATOM 1607 C VAL A 102 8.058 0.013 -3.580 1.00 0.00 C ATOM 1608 O VAL A 102 7.151 -0.730 -3.203 1.00 0.00 O ATOM 1609 CB VAL A 102 9.935 -1.460 -2.847 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.434 -1.489 -2.589 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.190 -2.263 -1.792 1.00 0.00 C ATOM 0 H VAL A 102 8.497 0.329 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 102 10.122 0.606 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 102 9.748 -1.918 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.779 -2.523 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.951 -0.953 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.648 -1.012 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.567 -3.285 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.342 -1.808 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.125 -2.272 -2.026 1.00 0.00 H new ATOM 1621 N PRO A 103 7.894 0.866 -4.610 1.00 0.00 N ATOM 1622 CA PRO A 103 6.638 0.972 -5.351 1.00 0.00 C ATOM 1623 C PRO A 103 6.507 -0.108 -6.423 1.00 0.00 C ATOM 1624 O PRO A 103 7.337 -0.201 -7.328 1.00 0.00 O ATOM 1625 CB PRO A 103 6.739 2.353 -5.990 1.00 0.00 C ATOM 1626 CG PRO A 103 8.198 2.555 -6.220 1.00 0.00 C ATOM 1627 CD PRO A 103 8.917 1.794 -5.132 1.00 0.00 C ATOM 0 HA PRO A 103 5.765 0.841 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.180 2.399 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.330 3.123 -5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.489 2.190 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.453 3.614 -6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.780 1.257 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.284 2.462 -4.353 1.00 0.00 H new ATOM 1635 N LEU A 104 5.464 -0.924 -6.312 1.00 0.00 N ATOM 1636 CA LEU A 104 5.229 -2.000 -7.270 1.00 0.00 C ATOM 1637 C LEU A 104 4.857 -1.445 -8.641 1.00 0.00 C ATOM 1638 O LEU A 104 4.352 -0.329 -8.754 1.00 0.00 O ATOM 1639 CB LEU A 104 4.120 -2.925 -6.765 1.00 0.00 C ATOM 1640 CG LEU A 104 4.177 -3.243 -5.268 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.949 -2.696 -4.551 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.303 -4.744 -5.046 1.00 0.00 C ATOM 0 H LEU A 104 4.768 -0.861 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 104 6.154 -2.568 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.156 -2.468 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.166 -3.861 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 104 5.058 -2.757 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.012 -2.934 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.905 -1.614 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.051 -3.148 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.342 -4.952 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.442 -5.250 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.215 -5.107 -5.520 1.00 0.00 H new ATOM 1654 N SER A 105 5.109 -2.235 -9.681 1.00 0.00 N ATOM 1655 CA SER A 105 4.801 -1.828 -11.046 1.00 0.00 C ATOM 1656 C SER A 105 3.387 -2.253 -11.433 1.00 0.00 C ATOM 1657 O SER A 105 2.760 -3.055 -10.743 1.00 0.00 O ATOM 1658 CB SER A 105 5.814 -2.432 -12.022 1.00 0.00 C ATOM 1659 OG SER A 105 7.084 -2.579 -11.413 1.00 0.00 O ATOM 0 H SER A 105 5.527 -3.162 -9.603 1.00 0.00 H new ATOM 0 HA SER A 105 4.862 -0.741 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.458 -3.403 -12.366 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.901 -1.794 -12.902 1.00 0.00 H new ATOM 0 HG SER A 105 7.712 -2.968 -12.057 1.00 0.00 H new ATOM 1665 N PRO A 106 2.865 -1.720 -12.551 1.00 0.00 N ATOM 1666 CA PRO A 106 1.517 -2.048 -13.029 1.00 0.00 C ATOM 1667 C PRO A 106 1.282 -3.553 -13.122 1.00 0.00 C ATOM 1668 O PRO A 106 0.149 -4.020 -13.011 1.00 0.00 O ATOM 1669 CB PRO A 106 1.469 -1.413 -14.419 1.00 0.00 C ATOM 1670 CG PRO A 106 2.451 -0.295 -14.359 1.00 0.00 C ATOM 1671 CD PRO A 106 3.547 -0.755 -13.435 1.00 0.00 C ATOM 0 HA PRO A 106 0.746 -1.683 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.736 -2.133 -15.193 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.469 -1.049 -14.654 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.845 -0.068 -15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.983 0.616 -13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.366 -1.221 -13.983 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.973 0.075 -12.871 1.00 0.00 H new ATOM 1679 N ASP A 107 2.357 -4.304 -13.330 1.00 0.00 N ATOM 1680 CA ASP A 107 2.265 -5.756 -13.440 1.00 0.00 C ATOM 1681 C ASP A 107 2.085 -6.400 -12.068 1.00 0.00 C ATOM 1682 O ASP A 107 1.213 -7.248 -11.879 1.00 0.00 O ATOM 1683 CB ASP A 107 3.514 -6.318 -14.121 1.00 0.00 C ATOM 1684 CG ASP A 107 4.794 -5.871 -13.441 1.00 0.00 C ATOM 1685 OD1 ASP A 107 5.134 -6.441 -12.382 1.00 0.00 O ATOM 1686 OD2 ASP A 107 5.455 -4.951 -13.965 1.00 0.00 O ATOM 0 H ASP A 107 3.302 -3.933 -13.426 1.00 0.00 H new ATOM 0 HA ASP A 107 1.391 -5.992 -14.047 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.466 -7.407 -14.120 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.530 -6.001 -15.164 1.00 0.00 H new ATOM 1691 N GLU A 108 2.916 -5.992 -11.113 1.00 0.00 N ATOM 1692 CA GLU A 108 2.848 -6.532 -9.760 1.00 0.00 C ATOM 1693 C GLU A 108 1.620 -6.003 -9.023 1.00 0.00 C ATOM 1694 O GLU A 108 1.020 -6.707 -8.211 1.00 0.00 O ATOM 1695 CB GLU A 108 4.116 -6.175 -8.983 1.00 0.00 C ATOM 1696 CG GLU A 108 5.205 -7.230 -9.081 1.00 0.00 C ATOM 1697 CD GLU A 108 6.586 -6.628 -9.250 1.00 0.00 C ATOM 1698 OE1 GLU A 108 7.141 -6.122 -8.251 1.00 0.00 O ATOM 1699 OE2 GLU A 108 7.115 -6.661 -10.382 1.00 0.00 O ATOM 0 H GLU A 108 3.643 -5.290 -11.251 1.00 0.00 H new ATOM 0 HA GLU A 108 2.766 -7.617 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.505 -5.227 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.860 -6.025 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.189 -7.848 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.994 -7.888 -9.924 1.00 0.00 H new ATOM 1706 N VAL A 109 1.255 -4.758 -9.311 1.00 0.00 N ATOM 1707 CA VAL A 109 0.101 -4.134 -8.675 1.00 0.00 C ATOM 1708 C VAL A 109 -1.186 -4.883 -9.009 1.00 0.00 C ATOM 1709 O VAL A 109 -2.014 -5.132 -8.135 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.044 -2.659 -9.105 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.239 -2.010 -8.423 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.232 -1.888 -8.801 1.00 0.00 C ATOM 0 H VAL A 109 1.742 -4.162 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 109 0.269 -4.177 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.215 -2.633 -10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.320 -0.971 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.149 -2.545 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.106 -2.048 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.112 -0.850 -9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.434 -1.926 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.065 -2.335 -9.344 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.351 -5.238 -10.278 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.541 -5.955 -10.716 1.00 0.00 C ATOM 1724 C ARG A 110 -2.667 -7.294 -9.994 1.00 0.00 C ATOM 1725 O ARG A 110 -3.769 -7.818 -9.827 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.503 -6.177 -12.230 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.836 -5.932 -12.916 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.130 -4.446 -13.047 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.242 -3.796 -14.010 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.035 -2.482 -14.057 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -3.649 -1.674 -13.200 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -2.211 -1.973 -14.964 1.00 0.00 N ATOM 0 H ARG A 110 -0.678 -5.042 -11.019 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.411 -5.347 -10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.753 -5.517 -12.666 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.184 -7.200 -12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.827 -6.391 -13.905 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.633 -6.413 -12.348 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.166 -4.307 -13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.022 -3.968 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.753 -4.384 -14.685 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.283 -2.060 -12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.486 -0.668 -13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.737 -2.589 -15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.052 -0.966 -15.001 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.534 -7.843 -9.567 1.00 0.00 N ATOM 1747 CA HIS A 111 -1.525 -9.118 -8.861 1.00 0.00 C ATOM 1748 C HIS A 111 -2.055 -8.953 -7.442 1.00 0.00 C ATOM 1749 O HIS A 111 -2.984 -9.650 -7.033 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.110 -9.702 -8.831 1.00 0.00 C ATOM 1751 CG HIS A 111 0.152 -10.690 -9.926 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.802 -11.573 -10.386 1.00 0.00 N ATOM 1753 CD2 HIS A 111 1.268 -10.930 -10.653 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.282 -12.316 -11.347 1.00 0.00 C ATOM 1755 NE2 HIS A 111 0.972 -11.945 -11.529 1.00 0.00 N ATOM 0 H HIS A 111 -0.613 -7.425 -9.698 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.178 -9.808 -9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.612 -8.889 -8.906 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.054 -10.186 -7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 111 2.215 -10.419 -10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.796 -13.095 -11.891 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.616 -12.347 -12.210 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.467 -8.024 -6.695 1.00 0.00 N ATOM 1765 CA ILE A 112 -1.897 -7.772 -5.328 1.00 0.00 C ATOM 1766 C ILE A 112 -3.302 -7.169 -5.299 1.00 0.00 C ATOM 1767 O ILE A 112 -3.957 -7.148 -4.257 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.919 -6.837 -4.587 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.872 -5.463 -5.258 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.470 -7.453 -4.544 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -1.982 -4.537 -4.812 1.00 0.00 C ATOM 0 H ILE A 112 -0.696 -7.437 -7.013 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.909 -8.734 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.275 -6.707 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.089 -4.995 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.930 -5.593 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.149 -6.782 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.428 -8.409 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.830 -7.610 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.888 -3.581 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.947 -4.984 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.912 -4.377 -3.736 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.760 -6.687 -6.453 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.087 -6.093 -6.566 1.00 0.00 C ATOM 1785 C LEU A 113 -6.155 -7.176 -6.696 1.00 0.00 C ATOM 1786 O LEU A 113 -7.233 -7.071 -6.110 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.145 -5.162 -7.782 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.472 -3.702 -7.471 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.199 -2.906 -7.221 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.275 -3.082 -8.606 1.00 0.00 C ATOM 0 H LEU A 113 -3.229 -6.697 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.282 -5.518 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.184 -5.201 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.893 -5.545 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.076 -3.673 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.455 -1.870 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.662 -3.334 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.566 -2.943 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.499 -2.042 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.695 -3.126 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.206 -3.633 -8.736 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.846 -8.212 -7.470 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.781 -9.312 -7.682 1.00 0.00 C ATOM 1804 C GLU A 114 -7.081 -10.037 -6.373 1.00 0.00 C ATOM 1805 O GLU A 114 -8.188 -10.537 -6.171 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.218 -10.296 -8.708 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.276 -10.890 -9.625 1.00 0.00 C ATOM 1808 CD GLU A 114 -6.681 -11.769 -10.707 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -5.560 -12.284 -10.504 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -7.333 -11.941 -11.758 1.00 0.00 O ATOM 0 H GLU A 114 -4.957 -8.313 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.713 -8.894 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.468 -9.787 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.709 -11.104 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.979 -11.475 -9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.844 -10.084 -10.089 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.089 -10.094 -5.491 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.252 -10.760 -4.205 1.00 0.00 C ATOM 1819 C VAL A 115 -7.062 -9.902 -3.239 1.00 0.00 C ATOM 1820 O VAL A 115 -8.020 -10.375 -2.627 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.889 -11.087 -3.563 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.077 -11.910 -2.298 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -3.992 -11.816 -4.551 1.00 0.00 C ATOM 0 H VAL A 115 -5.166 -9.688 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.787 -11.690 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.404 -10.149 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.104 -12.131 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.678 -11.347 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.585 -12.843 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.035 -12.038 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.469 -12.747 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.828 -11.187 -5.426 1.00 0.00 H new ATOM 1833 N SER A 116 -6.669 -8.640 -3.105 1.00 0.00 N ATOM 1834 CA SER A 116 -7.358 -7.716 -2.211 1.00 0.00 C ATOM 1835 C SER A 116 -8.842 -7.623 -2.553 1.00 0.00 C ATOM 1836 O SER A 116 -9.697 -7.941 -1.727 1.00 0.00 O ATOM 1837 CB SER A 116 -6.717 -6.330 -2.290 1.00 0.00 C ATOM 1838 OG SER A 116 -6.110 -6.119 -3.552 1.00 0.00 O ATOM 0 H SER A 116 -5.877 -8.233 -3.604 1.00 0.00 H new ATOM 0 HA SER A 116 -7.265 -8.098 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.474 -5.566 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.971 -6.226 -1.502 1.00 0.00 H new ATOM 0 HG SER A 116 -5.154 -6.328 -3.494 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.141 -7.192 -3.773 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.524 -7.073 -4.196 1.00 0.00 C ATOM 1846 C GLY A 117 -10.778 -5.856 -5.064 1.00 0.00 C ATOM 1847 O GLY A 117 -11.785 -5.170 -4.900 1.00 0.00 O ATOM 0 H GLY A 117 -8.452 -6.923 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.808 -7.970 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.164 -7.024 -3.315 1.00 0.00 H new ATOM 1851 N LEU A 118 -9.868 -5.591 -5.996 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.010 -4.451 -6.898 1.00 0.00 C ATOM 1853 C LEU A 118 -10.324 -4.922 -8.314 1.00 0.00 C ATOM 1854 O LEU A 118 -11.247 -4.424 -8.956 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.735 -3.601 -6.904 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.473 -2.765 -5.642 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.642 -1.536 -5.987 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.777 -2.348 -4.974 1.00 0.00 C ATOM 0 H LEU A 118 -9.027 -6.148 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.837 -3.839 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.883 -4.262 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.776 -2.927 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.917 -3.385 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.464 -0.952 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.688 -1.849 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.179 -0.926 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.558 -1.758 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.367 -1.751 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.341 -3.237 -4.690 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.548 -5.889 -8.795 1.00 0.00 N ATOM 1871 CA LEU A 119 -9.743 -6.429 -10.134 1.00 0.00 C ATOM 1872 C LEU A 119 -10.492 -7.757 -10.078 1.00 0.00 C ATOM 1873 O LEU A 119 -10.292 -8.631 -10.921 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.395 -6.620 -10.831 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.452 -6.625 -12.361 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -8.245 -5.221 -12.906 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.411 -7.578 -12.929 1.00 0.00 C ATOM 0 H LEU A 119 -8.779 -6.314 -8.277 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.340 -5.717 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.721 -5.825 -10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.960 -7.561 -10.496 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.439 -6.971 -12.669 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.289 -5.243 -13.995 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.027 -4.564 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.271 -4.848 -12.589 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.465 -7.569 -14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.417 -7.262 -12.613 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.604 -8.587 -12.564 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.356 -7.901 -9.076 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.121 -9.123 -8.927 1.00 0.00 C ATOM 1891 C GLY A 120 -12.435 -9.435 -7.477 1.00 0.00 C ATOM 1892 O GLY A 120 -11.533 -9.276 -6.627 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.581 -9.840 -7.190 1.00 0.00 O ATOM 0 H GLY A 120 -11.538 -7.192 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.052 -9.036 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.564 -9.953 -9.362 1.00 0.00 H new TER 1897 GLY A 120