USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=16 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 : amide:sc= -0.747 K(o=-2.4,f=-3.1) USER MOD Set 1.2: A 69 GLN : amide:sc= -1.62 K(o=-2.4,f=-1.5) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Set 3.1: A 9 HIS : no HE2:sc= -9.95! C(o=-10!,f=-9.4!) USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= -0.0366 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -37:sc= -1.76 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 14 GLN : amide:sc= -0.838 K(o=-0.84,f=-4.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.76 (180deg=-1.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= -0.342 (180deg=-3.39!) USER MOD Single : A 42 THR OG1 : rot -170:sc= -1.69! USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0464) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 70 MET CE :methyl 148:sc= -1.54 (180deg=-2.66!) USER MOD Single : A 79 ASN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : A 88 THR OG1 : rot -74:sc= 1.25 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 163:sc= -0.523 (180deg=-1.32) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.49) USER MOD Single : A 116 SER OG : rot 115:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 0.378 11.481 -11.567 1.00 0.00 N ATOM 2 CA SER A 2 0.577 10.014 -11.444 1.00 0.00 C ATOM 3 C SER A 2 1.104 9.643 -10.061 1.00 0.00 C ATOM 4 O SER A 2 1.879 10.387 -9.461 1.00 0.00 O ATOM 5 CB SER A 2 1.566 9.565 -12.522 1.00 0.00 C ATOM 6 OG SER A 2 0.888 9.128 -13.686 1.00 0.00 O ATOM 0 HA SER A 2 -0.381 9.511 -11.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.233 10.389 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.188 8.758 -12.135 1.00 0.00 H new ATOM 0 HG SER A 2 1.542 8.848 -14.360 1.00 0.00 H new ATOM 14 N ILE A 3 0.679 8.486 -9.563 1.00 0.00 N ATOM 15 CA ILE A 3 1.108 8.014 -8.251 1.00 0.00 C ATOM 16 C ILE A 3 1.571 6.562 -8.322 1.00 0.00 C ATOM 17 O ILE A 3 1.468 5.925 -9.371 1.00 0.00 O ATOM 18 CB ILE A 3 -0.017 8.159 -7.203 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.156 7.171 -7.475 1.00 0.00 C ATOM 20 CG2 ILE A 3 -0.546 9.585 -7.197 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.924 7.458 -8.747 1.00 0.00 C ATOM 0 H ILE A 3 0.038 7.858 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 3 1.946 8.637 -7.939 1.00 0.00 H new ATOM 0 HB ILE A 3 0.400 7.930 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.745 6.163 -7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.848 7.188 -6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.339 9.676 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.263 10.272 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.942 9.830 -8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.713 6.716 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.366 8.452 -8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.246 7.412 -9.599 1.00 0.00 H new ATOM 33 N GLU A 4 2.092 6.042 -7.214 1.00 0.00 N ATOM 34 CA GLU A 4 2.577 4.666 -7.186 1.00 0.00 C ATOM 35 C GLU A 4 2.222 3.953 -5.883 1.00 0.00 C ATOM 36 O GLU A 4 1.873 4.583 -4.878 1.00 0.00 O ATOM 37 CB GLU A 4 4.093 4.639 -7.389 1.00 0.00 C ATOM 38 CG GLU A 4 4.540 5.229 -8.717 1.00 0.00 C ATOM 39 CD GLU A 4 5.508 6.383 -8.547 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.444 7.064 -7.502 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.332 6.608 -9.460 1.00 0.00 O ATOM 0 H GLU A 4 2.189 6.546 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 4 2.083 4.134 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.570 5.189 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.442 3.608 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.011 4.450 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.666 5.572 -9.271 1.00 0.00 H new ATOM 48 N TRP A 5 2.325 2.626 -5.916 1.00 0.00 N ATOM 49 CA TRP A 5 2.031 1.791 -4.757 1.00 0.00 C ATOM 50 C TRP A 5 3.293 1.557 -3.930 1.00 0.00 C ATOM 51 O TRP A 5 4.040 0.610 -4.183 1.00 0.00 O ATOM 52 CB TRP A 5 1.472 0.440 -5.204 1.00 0.00 C ATOM 53 CG TRP A 5 0.015 0.459 -5.558 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.521 0.515 -6.813 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.092 0.399 -4.651 1.00 0.00 C ATOM 56 NE1 TRP A 5 -1.893 0.494 -6.742 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.268 0.423 -5.426 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.205 0.330 -3.260 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.537 0.376 -4.855 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.465 0.284 -2.696 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.615 0.306 -3.491 1.00 0.00 C ATOM 0 H TRP A 5 2.613 2.103 -6.743 1.00 0.00 H new ATOM 0 HA TRP A 5 1.291 2.310 -4.148 1.00 0.00 H new ATOM 0 HB2 TRP A 5 2.039 0.094 -6.068 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.630 -0.287 -4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.050 0.568 -7.728 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.529 0.526 -7.539 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.323 0.313 -2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.427 0.394 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.564 0.230 -1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.585 0.267 -3.018 1.00 0.00 H new ATOM 72 N TYR A 6 3.525 2.409 -2.939 1.00 0.00 N ATOM 73 CA TYR A 6 4.695 2.271 -2.082 1.00 0.00 C ATOM 74 C TYR A 6 4.454 1.200 -1.027 1.00 0.00 C ATOM 75 O TYR A 6 3.674 1.396 -0.094 1.00 0.00 O ATOM 76 CB TYR A 6 5.024 3.607 -1.415 1.00 0.00 C ATOM 77 CG TYR A 6 5.645 4.607 -2.360 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.854 5.376 -3.202 1.00 0.00 C ATOM 79 CD2 TYR A 6 7.021 4.778 -2.414 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.418 6.289 -4.074 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.593 5.688 -3.281 1.00 0.00 C ATOM 82 CZ TYR A 6 6.786 6.441 -4.109 1.00 0.00 C ATOM 83 OH TYR A 6 7.352 7.348 -4.976 1.00 0.00 O ATOM 0 H TYR A 6 2.922 3.199 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 6 5.543 1.970 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.111 4.031 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.705 3.432 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.781 5.259 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.655 4.190 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.789 6.879 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.666 5.810 -3.311 1.00 0.00 H new ATOM 0 HH TYR A 6 6.846 7.358 -5.815 1.00 0.00 H new ATOM 93 N ALA A 7 5.113 0.057 -1.189 1.00 0.00 N ATOM 94 CA ALA A 7 4.951 -1.051 -0.259 1.00 0.00 C ATOM 95 C ALA A 7 5.904 -0.940 0.927 1.00 0.00 C ATOM 96 O ALA A 7 7.028 -0.453 0.795 1.00 0.00 O ATOM 97 CB ALA A 7 5.154 -2.377 -0.978 1.00 0.00 C ATOM 0 H ALA A 7 5.762 -0.124 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 7 3.934 -1.007 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.030 -3.197 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.420 -2.473 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.158 -2.411 -1.401 1.00 0.00 H new ATOM 103 N VAL A 8 5.442 -1.403 2.084 1.00 0.00 N ATOM 104 CA VAL A 8 6.239 -1.373 3.304 1.00 0.00 C ATOM 105 C VAL A 8 5.922 -2.579 4.180 1.00 0.00 C ATOM 106 O VAL A 8 5.056 -3.388 3.846 1.00 0.00 O ATOM 107 CB VAL A 8 5.988 -0.084 4.111 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.685 1.100 3.459 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.497 0.177 4.253 1.00 0.00 C ATOM 0 H VAL A 8 4.513 -1.806 2.202 1.00 0.00 H new ATOM 0 HA VAL A 8 7.287 -1.401 3.005 1.00 0.00 H new ATOM 0 HB VAL A 8 6.406 -0.216 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.496 2.000 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.758 0.913 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.301 1.236 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.341 1.091 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.051 0.287 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.029 -0.660 4.771 1.00 0.00 H new ATOM 119 N HIS A 9 6.627 -2.700 5.300 1.00 0.00 N ATOM 120 CA HIS A 9 6.412 -3.815 6.214 1.00 0.00 C ATOM 121 C HIS A 9 6.049 -3.320 7.608 1.00 0.00 C ATOM 122 O HIS A 9 6.306 -2.168 7.956 1.00 0.00 O ATOM 123 CB HIS A 9 7.662 -4.694 6.287 1.00 0.00 C ATOM 124 CG HIS A 9 8.217 -5.065 4.947 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.598 -6.349 4.622 1.00 0.00 N ATOM 126 CD2 HIS A 9 8.460 -4.312 3.847 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.049 -6.371 3.380 1.00 0.00 C ATOM 128 NE2 HIS A 9 8.976 -5.148 2.887 1.00 0.00 N ATOM 0 H HIS A 9 7.349 -2.043 5.595 1.00 0.00 H new ATOM 0 HA HIS A 9 5.580 -4.405 5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.430 -4.171 6.856 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.423 -5.605 6.836 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.541 -7.156 5.243 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.281 -3.252 3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.415 -7.242 2.857 1.00 0.00 H new ATOM 137 N THR A 10 5.453 -4.202 8.404 1.00 0.00 N ATOM 138 CA THR A 10 5.057 -3.858 9.764 1.00 0.00 C ATOM 139 C THR A 10 5.409 -4.987 10.728 1.00 0.00 C ATOM 140 O THR A 10 5.586 -6.133 10.318 1.00 0.00 O ATOM 141 CB THR A 10 3.558 -3.563 9.831 1.00 0.00 C ATOM 142 OG1 THR A 10 2.809 -4.765 9.855 1.00 0.00 O ATOM 143 CG2 THR A 10 3.055 -2.733 8.667 1.00 0.00 C ATOM 0 H THR A 10 5.234 -5.160 8.130 1.00 0.00 H new ATOM 0 HA THR A 10 5.604 -2.962 10.058 1.00 0.00 H new ATOM 0 HB THR A 10 3.420 -2.992 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.853 -4.554 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.984 -2.561 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.576 -1.776 8.651 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.242 -3.264 7.734 1.00 0.00 H new ATOM 151 N LEU A 11 5.512 -4.652 12.010 1.00 0.00 N ATOM 152 CA LEU A 11 5.847 -5.636 13.035 1.00 0.00 C ATOM 153 C LEU A 11 4.894 -6.828 12.992 1.00 0.00 C ATOM 154 O LEU A 11 3.673 -6.664 13.027 1.00 0.00 O ATOM 155 CB LEU A 11 5.814 -4.988 14.422 1.00 0.00 C ATOM 156 CG LEU A 11 7.109 -5.119 15.226 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.234 -3.978 16.226 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.158 -6.462 15.940 1.00 0.00 C ATOM 0 H LEU A 11 5.368 -3.706 12.365 1.00 0.00 H new ATOM 0 HA LEU A 11 6.854 -6.000 12.833 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.581 -3.930 14.307 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.001 -5.433 14.996 1.00 0.00 H new ATOM 0 HG LEU A 11 7.951 -5.065 14.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.161 -4.087 16.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.243 -3.027 15.694 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.388 -4.002 16.912 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.086 -6.539 16.507 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.309 -6.544 16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.114 -7.266 15.206 1.00 0.00 H new ATOM 170 N VAL A 12 5.463 -8.027 12.920 1.00 0.00 N ATOM 171 CA VAL A 12 4.670 -9.250 12.878 1.00 0.00 C ATOM 172 C VAL A 12 3.874 -9.425 14.166 1.00 0.00 C ATOM 173 O VAL A 12 4.425 -9.345 15.264 1.00 0.00 O ATOM 174 CB VAL A 12 5.558 -10.489 12.664 1.00 0.00 C ATOM 175 CG1 VAL A 12 6.041 -10.560 11.223 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.734 -10.476 13.629 1.00 0.00 C ATOM 0 H VAL A 12 6.471 -8.178 12.890 1.00 0.00 H new ATOM 0 HA VAL A 12 3.984 -9.157 12.036 1.00 0.00 H new ATOM 0 HB VAL A 12 4.962 -11.379 12.866 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.667 -11.443 11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.183 -10.622 10.554 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.620 -9.667 10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.351 -11.359 13.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.332 -9.580 13.462 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.364 -10.480 14.654 1.00 0.00 H new ATOM 186 N GLY A 13 2.573 -9.657 14.026 1.00 0.00 N ATOM 187 CA GLY A 13 1.722 -9.830 15.187 1.00 0.00 C ATOM 188 C GLY A 13 1.010 -8.549 15.571 1.00 0.00 C ATOM 189 O GLY A 13 -0.102 -8.581 16.097 1.00 0.00 O ATOM 0 H GLY A 13 2.093 -9.728 13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.985 -10.606 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.323 -10.175 16.028 1.00 0.00 H new ATOM 193 N GLN A 14 1.654 -7.417 15.300 1.00 0.00 N ATOM 194 CA GLN A 14 1.077 -6.115 15.613 1.00 0.00 C ATOM 195 C GLN A 14 0.403 -5.506 14.384 1.00 0.00 C ATOM 196 O GLN A 14 -0.289 -4.491 14.486 1.00 0.00 O ATOM 197 CB GLN A 14 2.158 -5.168 16.136 1.00 0.00 C ATOM 198 CG GLN A 14 2.695 -5.554 17.505 1.00 0.00 C ATOM 199 CD GLN A 14 1.712 -5.258 18.620 1.00 0.00 C ATOM 200 OE1 GLN A 14 0.539 -5.627 18.545 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.186 -4.586 19.663 1.00 0.00 N ATOM 0 H GLN A 14 2.575 -7.376 14.864 1.00 0.00 H new ATOM 0 HA GLN A 14 0.322 -6.257 16.386 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.984 -5.144 15.425 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.751 -4.158 16.186 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.936 -6.617 17.510 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.624 -5.016 17.692 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.165 -4.300 19.683 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.571 -4.356 20.444 1.00 0.00 H new ATOM 210 N GLU A 15 0.608 -6.128 13.223 1.00 0.00 N ATOM 211 CA GLU A 15 0.021 -5.647 11.973 1.00 0.00 C ATOM 212 C GLU A 15 -1.447 -5.271 12.160 1.00 0.00 C ATOM 213 O GLU A 15 -1.920 -4.281 11.600 1.00 0.00 O ATOM 214 CB GLU A 15 0.141 -6.713 10.878 1.00 0.00 C ATOM 215 CG GLU A 15 1.480 -7.433 10.861 1.00 0.00 C ATOM 216 CD GLU A 15 1.726 -8.172 9.561 1.00 0.00 C ATOM 217 OE1 GLU A 15 1.090 -7.817 8.546 1.00 0.00 O ATOM 218 OE2 GLU A 15 2.556 -9.106 9.556 1.00 0.00 O ATOM 0 H GLU A 15 1.178 -6.968 13.122 1.00 0.00 H new ATOM 0 HA GLU A 15 0.572 -4.756 11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.653 -7.447 11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.019 -6.243 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.280 -6.710 11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.519 -8.140 11.690 1.00 0.00 H new ATOM 225 N GLU A 16 -2.161 -6.066 12.950 1.00 0.00 N ATOM 226 CA GLU A 16 -3.576 -5.817 13.212 1.00 0.00 C ATOM 227 C GLU A 16 -3.793 -4.405 13.749 1.00 0.00 C ATOM 228 O GLU A 16 -4.710 -3.702 13.325 1.00 0.00 O ATOM 229 CB GLU A 16 -4.120 -6.843 14.208 1.00 0.00 C ATOM 230 CG GLU A 16 -4.311 -8.227 13.611 1.00 0.00 C ATOM 231 CD GLU A 16 -5.509 -8.952 14.191 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.949 -8.580 15.299 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.010 -9.891 13.536 1.00 0.00 O ATOM 0 H GLU A 16 -1.784 -6.889 13.421 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.115 -5.913 12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.437 -6.913 15.055 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.075 -6.489 14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.432 -8.139 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.413 -8.820 13.784 1.00 0.00 H new ATOM 240 N LYS A 17 -2.941 -3.995 14.683 1.00 0.00 N ATOM 241 CA LYS A 17 -3.038 -2.668 15.277 1.00 0.00 C ATOM 242 C LYS A 17 -2.393 -1.619 14.378 1.00 0.00 C ATOM 243 O LYS A 17 -2.772 -0.448 14.404 1.00 0.00 O ATOM 244 CB LYS A 17 -2.374 -2.652 16.654 1.00 0.00 C ATOM 245 CG LYS A 17 -3.085 -1.762 17.661 1.00 0.00 C ATOM 246 CD LYS A 17 -2.099 -0.940 18.477 1.00 0.00 C ATOM 247 CE LYS A 17 -2.598 -0.716 19.896 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.966 0.708 20.136 1.00 0.00 N ATOM 0 H LYS A 17 -2.175 -4.564 15.045 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.095 -2.425 15.387 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.338 -3.670 17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.343 -2.315 16.547 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.770 -1.095 17.138 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.687 -2.377 18.329 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.136 -1.449 18.505 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.937 0.022 17.991 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.464 -1.351 20.081 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.826 -1.016 20.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.155 0.852 21.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.182 1.324 19.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.818 0.943 19.588 1.00 0.00 H new ATOM 262 N ALA A 18 -1.417 -2.045 13.581 1.00 0.00 N ATOM 263 CA ALA A 18 -0.721 -1.139 12.676 1.00 0.00 C ATOM 264 C ALA A 18 -1.676 -0.563 11.635 1.00 0.00 C ATOM 265 O ALA A 18 -1.681 0.643 11.382 1.00 0.00 O ATOM 266 CB ALA A 18 0.432 -1.861 11.994 1.00 0.00 C ATOM 0 H ALA A 18 -1.091 -3.011 13.544 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.323 -0.311 13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.944 -1.174 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.133 -2.220 12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.046 -2.707 11.425 1.00 0.00 H new ATOM 272 N LYS A 19 -2.482 -1.432 11.033 1.00 0.00 N ATOM 273 CA LYS A 19 -3.441 -1.010 10.020 1.00 0.00 C ATOM 274 C LYS A 19 -4.430 0.001 10.593 1.00 0.00 C ATOM 275 O LYS A 19 -4.894 0.899 9.888 1.00 0.00 O ATOM 276 CB LYS A 19 -4.194 -2.221 9.467 1.00 0.00 C ATOM 277 CG LYS A 19 -4.761 -1.999 8.073 1.00 0.00 C ATOM 278 CD LYS A 19 -6.282 -2.014 8.078 1.00 0.00 C ATOM 279 CE LYS A 19 -6.849 -1.447 6.786 1.00 0.00 C ATOM 280 NZ LYS A 19 -8.088 -0.656 7.023 1.00 0.00 N ATOM 0 H LYS A 19 -2.489 -2.433 11.230 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.890 -0.532 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.521 -3.078 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.009 -2.473 10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.407 -1.044 7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.391 -2.774 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.636 -3.036 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.650 -1.433 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.101 -0.815 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.065 -2.262 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.443 -0.287 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.811 -1.265 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.877 0.137 7.661 1.00 0.00 H new ATOM 294 N ALA A 20 -4.751 -0.152 11.874 1.00 0.00 N ATOM 295 CA ALA A 20 -5.686 0.746 12.541 1.00 0.00 C ATOM 296 C ALA A 20 -4.987 2.018 13.008 1.00 0.00 C ATOM 297 O ALA A 20 -5.442 3.127 12.727 1.00 0.00 O ATOM 298 CB ALA A 20 -6.346 0.043 13.716 1.00 0.00 C ATOM 0 H ALA A 20 -4.377 -0.890 12.471 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.455 1.028 11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.041 0.726 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.888 -0.833 13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.583 -0.269 14.429 1.00 0.00 H new ATOM 304 N ASN A 21 -3.877 1.851 13.720 1.00 0.00 N ATOM 305 CA ASN A 21 -3.114 2.987 14.226 1.00 0.00 C ATOM 306 C ASN A 21 -2.652 3.883 13.081 1.00 0.00 C ATOM 307 O ASN A 21 -2.584 5.103 13.222 1.00 0.00 O ATOM 308 CB ASN A 21 -1.908 2.500 15.032 1.00 0.00 C ATOM 309 CG ASN A 21 -2.157 2.542 16.527 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.328 3.033 17.292 1.00 0.00 O ATOM 311 ND2 ASN A 21 -3.304 2.024 16.951 1.00 0.00 N ATOM 0 H ASN A 21 -3.486 0.940 13.960 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.764 3.570 14.879 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.664 1.480 14.736 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.042 3.117 14.793 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.526 2.023 17.947 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.963 1.627 16.281 1.00 0.00 H new ATOM 318 N LEU A 22 -2.334 3.268 11.945 1.00 0.00 N ATOM 319 CA LEU A 22 -1.880 4.008 10.776 1.00 0.00 C ATOM 320 C LEU A 22 -3.034 4.780 10.142 1.00 0.00 C ATOM 321 O LEU A 22 -2.970 5.999 9.992 1.00 0.00 O ATOM 322 CB LEU A 22 -1.262 3.057 9.749 1.00 0.00 C ATOM 323 CG LEU A 22 -0.803 3.717 8.448 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.423 4.582 8.692 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.512 2.662 7.390 1.00 0.00 C ATOM 0 H LEU A 22 -2.383 2.258 11.811 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.122 4.721 11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.407 2.558 10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.991 2.283 9.508 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.607 4.357 8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.735 5.043 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.181 5.360 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.233 3.964 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.187 3.149 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.274 1.997 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.415 2.084 7.194 1.00 0.00 H new ATOM 337 N GLU A 23 -4.089 4.059 9.775 1.00 0.00 N ATOM 338 CA GLU A 23 -5.260 4.673 9.157 1.00 0.00 C ATOM 339 C GLU A 23 -5.810 5.799 10.029 1.00 0.00 C ATOM 340 O GLU A 23 -6.329 6.794 9.522 1.00 0.00 O ATOM 341 CB GLU A 23 -6.345 3.623 8.917 1.00 0.00 C ATOM 342 CG GLU A 23 -6.201 2.891 7.593 1.00 0.00 C ATOM 343 CD GLU A 23 -7.355 3.159 6.647 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.519 3.027 7.081 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.095 3.501 5.475 1.00 0.00 O ATOM 0 H GLU A 23 -4.157 3.048 9.895 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.954 5.096 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.321 2.896 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.321 4.107 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.268 3.192 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.132 1.820 7.781 1.00 0.00 H new ATOM 352 N LYS A 24 -5.691 5.636 11.342 1.00 0.00 N ATOM 353 CA LYS A 24 -6.174 6.638 12.283 1.00 0.00 C ATOM 354 C LYS A 24 -5.341 7.912 12.189 1.00 0.00 C ATOM 355 O LYS A 24 -5.874 9.022 12.234 1.00 0.00 O ATOM 356 CB LYS A 24 -6.136 6.090 13.713 1.00 0.00 C ATOM 357 CG LYS A 24 -7.514 5.873 14.316 1.00 0.00 C ATOM 358 CD LYS A 24 -7.495 4.776 15.368 1.00 0.00 C ATOM 359 CE LYS A 24 -8.003 3.458 14.805 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.896 2.352 15.797 1.00 0.00 N ATOM 0 H LYS A 24 -5.264 4.819 11.778 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.205 6.878 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.593 5.145 13.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.577 6.781 14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.867 6.802 14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.220 5.611 13.528 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.479 4.646 15.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.112 5.073 16.216 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.043 3.571 14.498 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.433 3.201 13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.486 1.552 15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.905 2.044 15.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.222 2.686 16.726 1.00 0.00 H new ATOM 374 N ARG A 25 -4.028 7.745 12.054 1.00 0.00 N ATOM 375 CA ARG A 25 -3.119 8.882 11.950 1.00 0.00 C ATOM 376 C ARG A 25 -3.333 9.627 10.637 1.00 0.00 C ATOM 377 O ARG A 25 -3.271 10.856 10.592 1.00 0.00 O ATOM 378 CB ARG A 25 -1.668 8.411 12.052 1.00 0.00 C ATOM 379 CG ARG A 25 -1.198 8.191 13.481 1.00 0.00 C ATOM 380 CD ARG A 25 -1.156 9.495 14.263 1.00 0.00 C ATOM 381 NE ARG A 25 0.070 9.625 15.045 1.00 0.00 N ATOM 382 CZ ARG A 25 0.229 10.501 16.035 1.00 0.00 C ATOM 383 NH1 ARG A 25 -0.759 11.323 16.367 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.377 10.551 16.697 1.00 0.00 N ATOM 0 H ARG A 25 -3.571 6.834 12.014 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.331 9.564 12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.557 7.481 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.021 9.148 11.575 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.865 7.488 13.980 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.206 7.739 13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.236 10.335 13.572 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.018 9.546 14.929 1.00 0.00 H new ATOM 0 HE ARG A 25 0.851 9.008 14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.645 11.285 15.863 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.632 11.992 17.126 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.137 9.919 16.448 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.500 11.222 17.456 1.00 0.00 H new ATOM 398 N ILE A 26 -3.587 8.875 9.570 1.00 0.00 N ATOM 399 CA ILE A 26 -3.812 9.464 8.256 1.00 0.00 C ATOM 400 C ILE A 26 -5.138 10.218 8.214 1.00 0.00 C ATOM 401 O ILE A 26 -5.284 11.197 7.481 1.00 0.00 O ATOM 402 CB ILE A 26 -3.805 8.390 7.150 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.512 7.575 7.208 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.971 9.032 5.780 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.272 8.385 6.895 1.00 0.00 C ATOM 0 H ILE A 26 -3.642 7.857 9.591 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.995 10.162 8.076 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.646 7.717 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.411 7.140 8.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.582 6.746 6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.964 8.258 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.918 9.571 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.151 9.727 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.393 7.743 6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.352 8.798 5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.177 9.198 7.615 1.00 0.00 H new ATOM 417 N LYS A 27 -6.101 9.759 9.007 1.00 0.00 N ATOM 418 CA LYS A 27 -7.412 10.392 9.060 1.00 0.00 C ATOM 419 C LYS A 27 -7.440 11.499 10.109 1.00 0.00 C ATOM 420 O LYS A 27 -8.122 12.511 9.941 1.00 0.00 O ATOM 421 CB LYS A 27 -8.492 9.355 9.368 1.00 0.00 C ATOM 422 CG LYS A 27 -9.061 8.684 8.128 1.00 0.00 C ATOM 423 CD LYS A 27 -9.350 7.212 8.374 1.00 0.00 C ATOM 424 CE LYS A 27 -10.050 6.576 7.183 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.083 5.590 7.608 1.00 0.00 N ATOM 0 H LYS A 27 -5.997 8.951 9.621 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.612 10.835 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.075 8.592 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.302 9.838 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.978 9.191 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.356 8.784 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.417 6.685 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.972 7.106 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.517 7.354 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.313 6.080 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.537 5.179 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.634 4.834 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.800 6.068 8.190 1.00 0.00 H new ATOM 439 N ALA A 28 -6.694 11.300 11.189 1.00 0.00 N ATOM 440 CA ALA A 28 -6.629 12.282 12.265 1.00 0.00 C ATOM 441 C ALA A 28 -5.919 13.550 11.802 1.00 0.00 C ATOM 442 O ALA A 28 -6.201 14.644 12.289 1.00 0.00 O ATOM 443 CB ALA A 28 -5.925 11.692 13.477 1.00 0.00 C ATOM 0 H ALA A 28 -6.125 10.467 11.343 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.648 12.547 12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.884 12.436 14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.474 10.818 13.827 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.912 11.398 13.202 1.00 0.00 H new ATOM 449 N PHE A 29 -4.995 13.393 10.859 1.00 0.00 N ATOM 450 CA PHE A 29 -4.243 14.522 10.327 1.00 0.00 C ATOM 451 C PHE A 29 -4.824 14.986 8.995 1.00 0.00 C ATOM 452 O PHE A 29 -4.694 16.152 8.624 1.00 0.00 O ATOM 453 CB PHE A 29 -2.773 14.143 10.150 1.00 0.00 C ATOM 454 CG PHE A 29 -2.003 14.106 11.440 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.918 15.232 12.242 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.365 12.946 11.847 1.00 0.00 C ATOM 457 CE1 PHE A 29 -1.211 15.200 13.429 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.656 12.908 13.033 1.00 0.00 C ATOM 459 CZ PHE A 29 -0.579 14.037 13.825 1.00 0.00 C ATOM 0 H PHE A 29 -4.749 12.493 10.448 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.317 15.343 11.040 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.713 13.165 9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.301 14.857 9.475 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.409 16.144 11.937 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.422 12.061 11.231 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.153 16.084 14.047 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.163 11.997 13.340 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.026 14.011 14.752 1.00 0.00 H new ATOM 469 N GLY A 30 -5.462 14.065 8.277 1.00 0.00 N ATOM 470 CA GLY A 30 -6.048 14.402 6.994 1.00 0.00 C ATOM 471 C GLY A 30 -5.026 14.410 5.875 1.00 0.00 C ATOM 472 O GLY A 30 -4.854 15.416 5.189 1.00 0.00 O ATOM 0 H GLY A 30 -5.583 13.093 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.835 13.686 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.519 15.383 7.059 1.00 0.00 H new ATOM 476 N LEU A 31 -4.345 13.283 5.694 1.00 0.00 N ATOM 477 CA LEU A 31 -3.332 13.162 4.652 1.00 0.00 C ATOM 478 C LEU A 31 -3.861 12.353 3.472 1.00 0.00 C ATOM 479 O LEU A 31 -3.119 11.602 2.839 1.00 0.00 O ATOM 480 CB LEU A 31 -2.070 12.502 5.211 1.00 0.00 C ATOM 481 CG LEU A 31 -1.661 12.962 6.613 1.00 0.00 C ATOM 482 CD1 LEU A 31 -1.164 11.787 7.439 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.595 14.046 6.526 1.00 0.00 C ATOM 0 H LEU A 31 -4.476 12.441 6.255 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.085 14.164 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.221 11.423 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.244 12.696 4.527 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.538 13.379 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.878 12.135 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.957 11.044 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.300 11.338 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.315 14.362 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.282 13.653 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.988 14.899 5.973 1.00 0.00 H new ATOM 495 N GLN A 32 -5.149 12.512 3.183 1.00 0.00 N ATOM 496 CA GLN A 32 -5.779 11.795 2.080 1.00 0.00 C ATOM 497 C GLN A 32 -5.386 12.390 0.727 1.00 0.00 C ATOM 498 O GLN A 32 -5.760 11.864 -0.320 1.00 0.00 O ATOM 499 CB GLN A 32 -7.299 11.812 2.239 1.00 0.00 C ATOM 500 CG GLN A 32 -7.859 10.529 2.832 1.00 0.00 C ATOM 501 CD GLN A 32 -9.320 10.652 3.217 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.187 10.821 2.361 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.599 10.570 4.513 1.00 0.00 N ATOM 0 H GLN A 32 -5.776 13.131 3.697 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.426 10.764 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.581 12.651 2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.757 11.983 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.744 9.720 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.277 10.256 3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.848 10.429 5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.564 10.648 4.833 1.00 0.00 H new ATOM 512 N ASP A 33 -4.629 13.486 0.751 1.00 0.00 N ATOM 513 CA ASP A 33 -4.192 14.134 -0.478 1.00 0.00 C ATOM 514 C ASP A 33 -2.997 13.402 -1.080 1.00 0.00 C ATOM 515 O ASP A 33 -2.794 13.417 -2.294 1.00 0.00 O ATOM 516 CB ASP A 33 -3.828 15.596 -0.207 1.00 0.00 C ATOM 517 CG ASP A 33 -5.036 16.511 -0.257 1.00 0.00 C ATOM 518 OD1 ASP A 33 -5.566 16.735 -1.366 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.453 17.005 0.813 1.00 0.00 O ATOM 0 H ASP A 33 -4.308 13.940 1.606 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.015 14.100 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.356 15.675 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.094 15.927 -0.942 1.00 0.00 H new ATOM 524 N LYS A 34 -2.213 12.753 -0.223 1.00 0.00 N ATOM 525 CA LYS A 34 -1.042 12.008 -0.671 1.00 0.00 C ATOM 526 C LYS A 34 -1.379 10.529 -0.829 1.00 0.00 C ATOM 527 O LYS A 34 -1.171 9.943 -1.892 1.00 0.00 O ATOM 528 CB LYS A 34 0.111 12.179 0.319 1.00 0.00 C ATOM 529 CG LYS A 34 0.969 13.403 0.046 1.00 0.00 C ATOM 530 CD LYS A 34 0.306 14.672 0.555 1.00 0.00 C ATOM 531 CE LYS A 34 0.582 14.891 2.035 1.00 0.00 C ATOM 532 NZ LYS A 34 1.669 15.885 2.258 1.00 0.00 N ATOM 0 H LYS A 34 -2.368 12.729 0.785 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.735 12.403 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.295 12.247 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.741 11.290 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.941 13.282 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.150 13.490 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.670 15.527 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.770 14.613 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.329 15.233 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.857 13.943 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.402 15.467 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.088 16.152 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.277 16.730 2.720 1.00 0.00 H new ATOM 546 N ILE A 35 -1.909 9.934 0.234 1.00 0.00 N ATOM 547 CA ILE A 35 -2.287 8.526 0.217 1.00 0.00 C ATOM 548 C ILE A 35 -3.704 8.356 -0.319 1.00 0.00 C ATOM 549 O ILE A 35 -4.677 8.474 0.425 1.00 0.00 O ATOM 550 CB ILE A 35 -2.207 7.903 1.624 1.00 0.00 C ATOM 551 CG1 ILE A 35 -0.904 8.310 2.317 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.319 6.388 1.539 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.086 9.392 3.360 1.00 0.00 C ATOM 0 H ILE A 35 -2.087 10.406 1.120 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.582 8.013 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.041 8.277 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.464 7.432 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.195 8.657 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.261 5.962 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.273 6.119 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.504 5.996 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.122 9.630 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.497 10.285 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.770 9.041 4.133 1.00 0.00 H new ATOM 565 N PHE A 36 -3.814 8.086 -1.615 1.00 0.00 N ATOM 566 CA PHE A 36 -5.117 7.911 -2.247 1.00 0.00 C ATOM 567 C PHE A 36 -5.637 6.495 -2.050 1.00 0.00 C ATOM 568 O PHE A 36 -6.782 6.296 -1.646 1.00 0.00 O ATOM 569 CB PHE A 36 -5.035 8.216 -3.743 1.00 0.00 C ATOM 570 CG PHE A 36 -4.200 9.419 -4.064 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.761 10.686 -4.083 1.00 0.00 C ATOM 572 CD2 PHE A 36 -2.853 9.281 -4.345 1.00 0.00 C ATOM 573 CE1 PHE A 36 -3.989 11.794 -4.374 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.077 10.383 -4.638 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.644 11.643 -4.654 1.00 0.00 C ATOM 0 H PHE A 36 -3.020 7.984 -2.247 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.807 8.609 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.623 7.349 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.042 8.369 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.812 10.808 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.403 8.299 -4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.436 12.777 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.026 10.261 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.038 12.507 -4.885 1.00 0.00 H new ATOM 585 N GLN A 37 -4.797 5.513 -2.354 1.00 0.00 N ATOM 586 CA GLN A 37 -5.193 4.118 -2.221 1.00 0.00 C ATOM 587 C GLN A 37 -4.365 3.395 -1.164 1.00 0.00 C ATOM 588 O GLN A 37 -3.153 3.582 -1.067 1.00 0.00 O ATOM 589 CB GLN A 37 -5.068 3.410 -3.571 1.00 0.00 C ATOM 590 CG GLN A 37 -6.366 2.780 -4.039 1.00 0.00 C ATOM 591 CD GLN A 37 -6.497 2.759 -5.548 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.634 3.802 -6.185 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.462 1.566 -6.129 1.00 0.00 N ATOM 0 H GLN A 37 -3.845 5.655 -2.692 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.233 4.094 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.729 4.126 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.302 2.638 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.427 1.760 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.206 3.330 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.347 0.726 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.550 1.489 -7.142 1.00 0.00 H new ATOM 602 N VAL A 38 -5.039 2.562 -0.375 1.00 0.00 N ATOM 603 CA VAL A 38 -4.384 1.795 0.678 1.00 0.00 C ATOM 604 C VAL A 38 -5.011 0.409 0.797 1.00 0.00 C ATOM 605 O VAL A 38 -6.231 0.262 0.720 1.00 0.00 O ATOM 606 CB VAL A 38 -4.472 2.517 2.037 1.00 0.00 C ATOM 607 CG1 VAL A 38 -5.923 2.680 2.469 1.00 0.00 C ATOM 608 CG2 VAL A 38 -3.672 1.767 3.094 1.00 0.00 C ATOM 0 H VAL A 38 -6.044 2.401 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.333 1.696 0.406 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.040 3.512 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.961 3.192 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.461 3.267 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.387 1.698 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.746 2.292 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.070 0.758 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.627 1.714 2.789 1.00 0.00 H new ATOM 618 N LEU A 39 -4.174 -0.606 0.980 1.00 0.00 N ATOM 619 CA LEU A 39 -4.658 -1.978 1.102 1.00 0.00 C ATOM 620 C LEU A 39 -3.622 -2.875 1.772 1.00 0.00 C ATOM 621 O LEU A 39 -2.421 -2.597 1.734 1.00 0.00 O ATOM 622 CB LEU A 39 -5.039 -2.535 -0.281 1.00 0.00 C ATOM 623 CG LEU A 39 -3.896 -3.111 -1.124 1.00 0.00 C ATOM 624 CD1 LEU A 39 -2.663 -2.227 -1.044 1.00 0.00 C ATOM 625 CD2 LEU A 39 -3.574 -4.532 -0.683 1.00 0.00 C ATOM 0 H LEU A 39 -3.161 -0.507 1.047 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.546 -1.966 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.786 -3.316 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.515 -1.737 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.219 -3.139 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.866 -2.658 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.904 -1.231 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.332 -2.157 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.760 -4.926 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.275 -4.529 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.456 -5.160 -0.806 1.00 0.00 H new ATOM 637 N ILE A 40 -4.097 -3.955 2.379 1.00 0.00 N ATOM 638 CA ILE A 40 -3.223 -4.904 3.056 1.00 0.00 C ATOM 639 C ILE A 40 -3.252 -6.259 2.348 1.00 0.00 C ATOM 640 O ILE A 40 -4.323 -6.810 2.100 1.00 0.00 O ATOM 641 CB ILE A 40 -3.630 -5.089 4.532 1.00 0.00 C ATOM 642 CG1 ILE A 40 -2.654 -6.029 5.242 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.055 -5.618 4.631 1.00 0.00 C ATOM 644 CD1 ILE A 40 -2.932 -6.185 6.721 1.00 0.00 C ATOM 0 H ILE A 40 -5.087 -4.196 2.416 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.212 -4.498 3.022 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.591 -4.118 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.696 -7.009 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.639 -5.654 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.325 -5.742 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.739 -4.911 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.122 -6.580 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.201 -6.865 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.861 -5.213 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.934 -6.589 6.862 1.00 0.00 H new ATOM 656 N PRO A 41 -2.072 -6.813 2.009 1.00 0.00 N ATOM 657 CA PRO A 41 -1.972 -8.107 1.321 1.00 0.00 C ATOM 658 C PRO A 41 -2.681 -9.230 2.069 1.00 0.00 C ATOM 659 O PRO A 41 -2.047 -10.021 2.768 1.00 0.00 O ATOM 660 CB PRO A 41 -0.464 -8.380 1.262 1.00 0.00 C ATOM 661 CG PRO A 41 0.157 -7.419 2.218 1.00 0.00 C ATOM 662 CD PRO A 41 -0.748 -6.226 2.256 1.00 0.00 C ATOM 0 HA PRO A 41 -2.450 -8.071 0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.241 -9.410 1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.079 -8.233 0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.257 -7.864 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.159 -7.138 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.705 -5.716 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.482 -5.493 1.495 1.00 0.00 H new ATOM 670 N THR A 42 -3.997 -9.297 1.908 1.00 0.00 N ATOM 671 CA THR A 42 -4.799 -10.323 2.559 1.00 0.00 C ATOM 672 C THR A 42 -6.136 -10.487 1.846 1.00 0.00 C ATOM 673 O THR A 42 -6.729 -9.510 1.388 1.00 0.00 O ATOM 674 CB THR A 42 -5.036 -9.965 4.027 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.567 -8.657 4.145 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.781 -10.028 4.872 1.00 0.00 C ATOM 0 H THR A 42 -4.532 -8.650 1.329 1.00 0.00 H new ATOM 0 HA THR A 42 -4.253 -11.265 2.508 1.00 0.00 H new ATOM 0 HB THR A 42 -5.739 -10.713 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.564 -8.386 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.022 -9.763 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.374 -11.039 4.844 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.043 -9.328 4.480 1.00 0.00 H new ATOM 684 N GLU A 43 -6.608 -11.724 1.756 1.00 0.00 N ATOM 685 CA GLU A 43 -7.879 -12.004 1.099 1.00 0.00 C ATOM 686 C GLU A 43 -9.040 -11.694 2.034 1.00 0.00 C ATOM 687 O GLU A 43 -8.942 -11.883 3.246 1.00 0.00 O ATOM 688 CB GLU A 43 -7.937 -13.467 0.651 1.00 0.00 C ATOM 689 CG GLU A 43 -8.213 -13.637 -0.834 1.00 0.00 C ATOM 690 CD GLU A 43 -9.626 -13.242 -1.212 1.00 0.00 C ATOM 691 OE1 GLU A 43 -10.547 -14.056 -0.995 1.00 0.00 O ATOM 692 OE2 GLU A 43 -9.811 -12.121 -1.729 1.00 0.00 O ATOM 0 H GLU A 43 -6.133 -12.546 2.128 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.960 -11.366 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.991 -13.951 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.713 -13.982 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.506 -13.033 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.043 -14.676 -1.115 1.00 0.00 H new ATOM 699 N GLU A 44 -10.139 -11.210 1.466 1.00 0.00 N ATOM 700 CA GLU A 44 -11.315 -10.870 2.257 1.00 0.00 C ATOM 701 C GLU A 44 -12.597 -11.209 1.505 1.00 0.00 C ATOM 702 O GLU A 44 -12.840 -10.706 0.410 1.00 0.00 O ATOM 703 CB GLU A 44 -11.296 -9.383 2.621 1.00 0.00 C ATOM 704 CG GLU A 44 -11.050 -9.121 4.098 1.00 0.00 C ATOM 705 CD GLU A 44 -12.091 -8.203 4.710 1.00 0.00 C ATOM 706 OE1 GLU A 44 -12.733 -7.445 3.953 1.00 0.00 O ATOM 707 OE2 GLU A 44 -12.263 -8.244 5.945 1.00 0.00 O ATOM 0 H GLU A 44 -10.240 -11.045 0.465 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.290 -11.461 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.521 -8.885 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.248 -8.935 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.046 -10.069 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.062 -8.679 4.225 1.00 0.00 H new ATOM 714 N VAL A 45 -13.416 -12.064 2.108 1.00 0.00 N ATOM 715 CA VAL A 45 -14.678 -12.471 1.503 1.00 0.00 C ATOM 716 C VAL A 45 -15.753 -12.657 2.567 1.00 0.00 C ATOM 717 O VAL A 45 -15.628 -13.513 3.442 1.00 0.00 O ATOM 718 CB VAL A 45 -14.527 -13.781 0.706 1.00 0.00 C ATOM 719 CG1 VAL A 45 -13.722 -13.544 -0.563 1.00 0.00 C ATOM 720 CG2 VAL A 45 -13.879 -14.857 1.564 1.00 0.00 C ATOM 0 H VAL A 45 -13.228 -12.489 3.016 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.975 -11.676 0.819 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.520 -14.127 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.626 -14.480 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.232 -12.808 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.731 -13.173 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.781 -15.775 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.892 -14.522 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.499 -15.046 2.440 1.00 0.00 H new ATOM 730 N VAL A 46 -16.804 -11.849 2.486 1.00 0.00 N ATOM 731 CA VAL A 46 -17.899 -11.922 3.445 1.00 0.00 C ATOM 732 C VAL A 46 -19.164 -11.276 2.883 1.00 0.00 C ATOM 733 O VAL A 46 -19.667 -10.291 3.427 1.00 0.00 O ATOM 734 CB VAL A 46 -17.525 -11.242 4.778 1.00 0.00 C ATOM 735 CG1 VAL A 46 -17.220 -9.765 4.560 1.00 0.00 C ATOM 736 CG2 VAL A 46 -18.633 -11.422 5.806 1.00 0.00 C ATOM 0 H VAL A 46 -16.921 -11.136 1.766 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.091 -12.979 3.632 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.626 -11.721 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.958 -9.303 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.385 -9.664 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.098 -9.270 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.347 -10.934 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.554 -10.976 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.792 -12.485 5.987 1.00 0.00 H new ATOM 746 N GLU A 47 -19.675 -11.838 1.793 1.00 0.00 N ATOM 747 CA GLU A 47 -20.881 -11.319 1.159 1.00 0.00 C ATOM 748 C GLU A 47 -21.621 -12.424 0.413 1.00 0.00 C ATOM 749 O GLU A 47 -21.099 -13.524 0.234 1.00 0.00 O ATOM 750 CB GLU A 47 -20.529 -10.184 0.195 1.00 0.00 C ATOM 751 CG GLU A 47 -19.530 -10.584 -0.878 1.00 0.00 C ATOM 752 CD GLU A 47 -18.476 -9.522 -1.119 1.00 0.00 C ATOM 753 OE1 GLU A 47 -17.629 -9.311 -0.228 1.00 0.00 O ATOM 754 OE2 GLU A 47 -18.498 -8.900 -2.203 1.00 0.00 O ATOM 0 H GLU A 47 -19.273 -12.653 1.330 1.00 0.00 H new ATOM 0 HA GLU A 47 -21.534 -10.932 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -21.442 -9.830 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -20.123 -9.348 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -19.043 -11.514 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -20.062 -10.781 -1.809 1.00 0.00 H new ATOM 761 N LEU A 48 -22.842 -12.124 -0.020 1.00 0.00 N ATOM 762 CA LEU A 48 -23.655 -13.092 -0.748 1.00 0.00 C ATOM 763 C LEU A 48 -23.490 -12.918 -2.253 1.00 0.00 C ATOM 764 O LEU A 48 -23.476 -11.797 -2.761 1.00 0.00 O ATOM 765 CB LEU A 48 -25.127 -12.946 -0.360 1.00 0.00 C ATOM 766 CG LEU A 48 -25.597 -13.871 0.764 1.00 0.00 C ATOM 767 CD1 LEU A 48 -26.696 -13.205 1.578 1.00 0.00 C ATOM 768 CD2 LEU A 48 -26.077 -15.201 0.197 1.00 0.00 C ATOM 0 H LEU A 48 -23.290 -11.218 0.121 1.00 0.00 H new ATOM 0 HA LEU A 48 -23.315 -14.092 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -25.307 -11.914 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -25.739 -13.132 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.753 -14.067 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.018 -13.877 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -26.316 -12.282 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -27.542 -12.978 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.407 -15.846 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -26.907 -15.026 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.260 -15.684 -0.339 1.00 0.00 H new ATOM 780 N ARG A 49 -23.365 -14.035 -2.963 1.00 0.00 N ATOM 781 CA ARG A 49 -23.202 -14.008 -4.411 1.00 0.00 C ATOM 782 C ARG A 49 -23.667 -15.318 -5.036 1.00 0.00 C ATOM 783 O ARG A 49 -24.392 -15.319 -6.031 1.00 0.00 O ATOM 784 CB ARG A 49 -21.739 -13.745 -4.776 1.00 0.00 C ATOM 785 CG ARG A 49 -21.524 -13.448 -6.250 1.00 0.00 C ATOM 786 CD ARG A 49 -21.961 -12.035 -6.603 1.00 0.00 C ATOM 787 NE ARG A 49 -21.019 -11.380 -7.508 1.00 0.00 N ATOM 788 CZ ARG A 49 -21.316 -10.310 -8.241 1.00 0.00 C ATOM 789 NH1 ARG A 49 -22.529 -9.771 -8.180 1.00 0.00 N ATOM 790 NH2 ARG A 49 -20.401 -9.777 -9.038 1.00 0.00 N ATOM 0 H ARG A 49 -23.374 -14.971 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 49 -23.818 -13.200 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -21.372 -12.904 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -21.142 -14.614 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -20.471 -13.577 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.083 -14.164 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.947 -12.066 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -22.056 -11.446 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.078 -11.766 -7.582 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -23.238 -10.177 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.752 -8.951 -8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.468 -10.187 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.629 -8.957 -9.600 1.00 0.00 H new ATOM 804 N GLU A 50 -23.246 -16.431 -4.445 1.00 0.00 N ATOM 805 CA GLU A 50 -23.619 -17.750 -4.943 1.00 0.00 C ATOM 806 C GLU A 50 -24.833 -18.290 -4.194 1.00 0.00 C ATOM 807 O GLU A 50 -24.694 -19.013 -3.208 1.00 0.00 O ATOM 808 CB GLU A 50 -22.446 -18.722 -4.806 1.00 0.00 C ATOM 809 CG GLU A 50 -22.701 -20.078 -5.440 1.00 0.00 C ATOM 810 CD GLU A 50 -21.486 -20.617 -6.172 1.00 0.00 C ATOM 811 OE1 GLU A 50 -20.361 -20.453 -5.655 1.00 0.00 O ATOM 812 OE2 GLU A 50 -21.660 -21.203 -7.260 1.00 0.00 O ATOM 0 H GLU A 50 -22.646 -16.446 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 50 -23.878 -17.653 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -21.562 -18.277 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.222 -18.861 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.999 -20.786 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.535 -19.998 -6.137 1.00 0.00 H new ATOM 819 N GLY A 51 -26.022 -17.935 -4.668 1.00 0.00 N ATOM 820 CA GLY A 51 -27.242 -18.393 -4.031 1.00 0.00 C ATOM 821 C GLY A 51 -27.360 -17.918 -2.595 1.00 0.00 C ATOM 822 O GLY A 51 -27.301 -16.718 -2.325 1.00 0.00 O ATOM 0 H GLY A 51 -26.163 -17.338 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -28.101 -18.037 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -27.273 -19.482 -4.054 1.00 0.00 H new ATOM 826 N GLY A 52 -27.527 -18.862 -1.675 1.00 0.00 N ATOM 827 CA GLY A 52 -27.649 -18.513 -0.270 1.00 0.00 C ATOM 828 C GLY A 52 -26.526 -19.087 0.571 1.00 0.00 C ATOM 829 O GLY A 52 -26.769 -19.718 1.598 1.00 0.00 O ATOM 0 H GLY A 52 -27.580 -19.861 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.657 -17.428 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -28.604 -18.876 0.109 1.00 0.00 H new ATOM 833 N LYS A 53 -25.289 -18.866 0.133 1.00 0.00 N ATOM 834 CA LYS A 53 -24.123 -19.365 0.851 1.00 0.00 C ATOM 835 C LYS A 53 -23.423 -18.236 1.601 1.00 0.00 C ATOM 836 O LYS A 53 -23.482 -17.077 1.196 1.00 0.00 O ATOM 837 CB LYS A 53 -23.146 -20.031 -0.119 1.00 0.00 C ATOM 838 CG LYS A 53 -23.636 -21.367 -0.655 1.00 0.00 C ATOM 839 CD LYS A 53 -23.603 -21.409 -2.175 1.00 0.00 C ATOM 840 CE LYS A 53 -23.006 -22.712 -2.684 1.00 0.00 C ATOM 841 NZ LYS A 53 -21.560 -22.569 -3.014 1.00 0.00 N ATOM 0 H LYS A 53 -25.070 -18.344 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 53 -24.463 -20.104 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -22.963 -19.358 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -22.191 -20.179 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -23.016 -22.169 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -24.653 -21.547 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -24.614 -21.294 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -23.019 -20.569 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -23.131 -23.488 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -23.550 -23.039 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.098 -23.499 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -21.460 -22.187 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.112 -21.921 -2.336 1.00 0.00 H new ATOM 855 N LYS A 54 -22.758 -18.585 2.699 1.00 0.00 N ATOM 856 CA LYS A 54 -22.045 -17.603 3.506 1.00 0.00 C ATOM 857 C LYS A 54 -20.611 -18.052 3.765 1.00 0.00 C ATOM 858 O LYS A 54 -20.375 -19.152 4.265 1.00 0.00 O ATOM 859 CB LYS A 54 -22.770 -17.379 4.834 1.00 0.00 C ATOM 860 CG LYS A 54 -23.058 -18.663 5.596 1.00 0.00 C ATOM 861 CD LYS A 54 -24.468 -19.167 5.331 1.00 0.00 C ATOM 862 CE LYS A 54 -25.289 -19.229 6.609 1.00 0.00 C ATOM 863 NZ LYS A 54 -25.311 -20.600 7.190 1.00 0.00 N ATOM 0 H LYS A 54 -22.699 -19.541 3.049 1.00 0.00 H new ATOM 0 HA LYS A 54 -22.019 -16.664 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -22.167 -16.722 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.710 -16.862 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -22.337 -19.428 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.928 -18.490 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.960 -18.511 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.422 -20.158 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.877 -18.532 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.309 -18.907 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -25.881 -20.599 8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.727 -21.261 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.340 -20.898 7.413 1.00 0.00 H new ATOM 877 N GLU A 55 -19.657 -17.194 3.422 1.00 0.00 N ATOM 878 CA GLU A 55 -18.246 -17.504 3.616 1.00 0.00 C ATOM 879 C GLU A 55 -17.493 -16.293 4.160 1.00 0.00 C ATOM 880 O GLU A 55 -17.372 -15.271 3.486 1.00 0.00 O ATOM 881 CB GLU A 55 -17.617 -17.965 2.299 1.00 0.00 C ATOM 882 CG GLU A 55 -16.924 -19.315 2.395 1.00 0.00 C ATOM 883 CD GLU A 55 -15.632 -19.364 1.606 1.00 0.00 C ATOM 884 OE1 GLU A 55 -15.691 -19.611 0.383 1.00 0.00 O ATOM 885 OE2 GLU A 55 -14.559 -19.157 2.211 1.00 0.00 O ATOM 0 H GLU A 55 -19.835 -16.279 3.008 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.173 -18.311 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.392 -18.018 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.895 -17.218 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.715 -19.538 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.597 -20.091 2.031 1.00 0.00 H new ATOM 892 N VAL A 56 -16.985 -16.419 5.382 1.00 0.00 N ATOM 893 CA VAL A 56 -16.243 -15.337 6.018 1.00 0.00 C ATOM 894 C VAL A 56 -14.844 -15.799 6.418 1.00 0.00 C ATOM 895 O VAL A 56 -14.667 -16.455 7.445 1.00 0.00 O ATOM 896 CB VAL A 56 -16.982 -14.799 7.260 1.00 0.00 C ATOM 897 CG1 VAL A 56 -17.166 -15.897 8.297 1.00 0.00 C ATOM 898 CG2 VAL A 56 -16.242 -13.609 7.854 1.00 0.00 C ATOM 0 H VAL A 56 -17.074 -17.260 5.952 1.00 0.00 H new ATOM 0 HA VAL A 56 -16.160 -14.532 5.288 1.00 0.00 H new ATOM 0 HB VAL A 56 -17.970 -14.461 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.689 -15.494 9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.750 -16.710 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -16.191 -16.274 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.781 -13.245 8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.238 -13.915 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.177 -12.814 7.112 1.00 0.00 H new ATOM 908 N VAL A 57 -13.854 -15.457 5.600 1.00 0.00 N ATOM 909 CA VAL A 57 -12.474 -15.843 5.874 1.00 0.00 C ATOM 910 C VAL A 57 -11.483 -14.916 5.175 1.00 0.00 C ATOM 911 O VAL A 57 -11.873 -14.047 4.395 1.00 0.00 O ATOM 912 CB VAL A 57 -12.199 -17.292 5.429 1.00 0.00 C ATOM 913 CG1 VAL A 57 -12.972 -18.275 6.296 1.00 0.00 C ATOM 914 CG2 VAL A 57 -12.550 -17.475 3.960 1.00 0.00 C ATOM 0 H VAL A 57 -13.980 -14.915 4.745 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.338 -15.764 6.953 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.135 -17.494 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.764 -19.293 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.666 -18.161 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.040 -18.076 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.349 -18.504 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.606 -17.253 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.946 -16.799 3.355 1.00 0.00 H new ATOM 924 N ARG A 58 -10.201 -15.113 5.465 1.00 0.00 N ATOM 925 CA ARG A 58 -9.144 -14.302 4.869 1.00 0.00 C ATOM 926 C ARG A 58 -7.910 -15.153 4.575 1.00 0.00 C ATOM 927 O ARG A 58 -7.648 -16.138 5.266 1.00 0.00 O ATOM 928 CB ARG A 58 -8.769 -13.150 5.803 1.00 0.00 C ATOM 929 CG ARG A 58 -9.860 -12.100 5.943 1.00 0.00 C ATOM 930 CD ARG A 58 -9.968 -11.591 7.371 1.00 0.00 C ATOM 931 NE ARG A 58 -8.826 -10.757 7.746 1.00 0.00 N ATOM 932 CZ ARG A 58 -7.795 -11.182 8.476 1.00 0.00 C ATOM 933 NH1 ARG A 58 -7.745 -12.434 8.914 1.00 0.00 N ATOM 934 NH2 ARG A 58 -6.807 -10.348 8.769 1.00 0.00 N ATOM 0 H ARG A 58 -9.868 -15.829 6.111 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.518 -13.893 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.536 -13.553 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.862 -12.673 5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.650 -11.266 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.815 -12.524 5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.888 -11.017 7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.037 -12.438 8.053 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.818 -9.788 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.501 -13.082 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.951 -12.748 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.837 -9.384 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.017 -10.670 9.327 1.00 0.00 H new ATOM 948 N LYS A 59 -7.158 -14.767 3.550 1.00 0.00 N ATOM 949 CA LYS A 59 -5.952 -15.499 3.171 1.00 0.00 C ATOM 950 C LYS A 59 -4.770 -14.547 3.011 1.00 0.00 C ATOM 951 O LYS A 59 -4.678 -13.816 2.025 1.00 0.00 O ATOM 952 CB LYS A 59 -6.174 -16.272 1.866 1.00 0.00 C ATOM 953 CG LYS A 59 -7.555 -16.905 1.747 1.00 0.00 C ATOM 954 CD LYS A 59 -7.503 -18.409 1.970 1.00 0.00 C ATOM 955 CE LYS A 59 -8.473 -18.846 3.055 1.00 0.00 C ATOM 956 NZ LYS A 59 -8.103 -20.169 3.630 1.00 0.00 N ATOM 0 H LYS A 59 -7.360 -13.954 2.968 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.728 -16.209 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.022 -15.596 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.419 -17.054 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.228 -16.452 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.967 -16.697 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.741 -18.924 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.490 -18.702 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.492 -18.098 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.480 -18.898 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.789 -20.432 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.109 -20.888 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.152 -20.113 4.047 1.00 0.00 H new ATOM 970 N LYS A 60 -3.868 -14.561 3.987 1.00 0.00 N ATOM 971 CA LYS A 60 -2.693 -13.699 3.954 1.00 0.00 C ATOM 972 C LYS A 60 -1.792 -14.050 2.774 1.00 0.00 C ATOM 973 O LYS A 60 -1.239 -15.147 2.708 1.00 0.00 O ATOM 974 CB LYS A 60 -1.908 -13.818 5.262 1.00 0.00 C ATOM 975 CG LYS A 60 -0.992 -12.635 5.532 1.00 0.00 C ATOM 976 CD LYS A 60 -0.512 -12.622 6.974 1.00 0.00 C ATOM 977 CE LYS A 60 -1.639 -12.281 7.937 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.644 -13.176 9.126 1.00 0.00 N ATOM 0 H LYS A 60 -3.929 -15.160 4.810 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.033 -12.670 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.610 -13.919 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.312 -14.730 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.133 -12.677 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.521 -11.707 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.098 -13.597 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.293 -11.895 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.537 -11.246 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.595 -12.360 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.427 -12.910 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.767 -14.162 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.742 -13.082 9.635 1.00 0.00 H new ATOM 992 N LEU A 61 -1.657 -13.114 1.841 1.00 0.00 N ATOM 993 CA LEU A 61 -0.827 -13.326 0.661 1.00 0.00 C ATOM 994 C LEU A 61 0.609 -12.874 0.908 1.00 0.00 C ATOM 995 O LEU A 61 1.558 -13.530 0.475 1.00 0.00 O ATOM 996 CB LEU A 61 -1.413 -12.577 -0.539 1.00 0.00 C ATOM 997 CG LEU A 61 -2.697 -13.177 -1.112 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.135 -12.415 -2.351 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.499 -14.650 -1.434 1.00 0.00 C ATOM 0 H LEU A 61 -2.111 -12.202 1.879 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.815 -14.394 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.612 -11.547 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.662 -12.543 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.482 -13.091 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.050 -12.856 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.317 -11.372 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.352 -12.469 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.423 -15.061 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.700 -14.758 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.232 -15.189 -0.525 1.00 0.00 H new ATOM 1011 N PHE A 62 0.766 -11.753 1.605 1.00 0.00 N ATOM 1012 CA PHE A 62 2.092 -11.220 1.907 1.00 0.00 C ATOM 1013 C PHE A 62 2.213 -10.866 3.387 1.00 0.00 C ATOM 1014 O PHE A 62 1.821 -9.776 3.805 1.00 0.00 O ATOM 1015 CB PHE A 62 2.387 -9.981 1.054 1.00 0.00 C ATOM 1016 CG PHE A 62 2.083 -10.158 -0.409 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.783 -10.365 -0.844 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.099 -10.113 -1.349 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.504 -10.526 -2.188 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.827 -10.273 -2.694 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.528 -10.480 -3.115 1.00 0.00 C ATOM 0 H PHE A 62 -0.006 -11.196 1.971 1.00 0.00 H new ATOM 0 HA PHE A 62 2.822 -11.995 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.805 -9.142 1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.439 -9.717 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.021 -10.401 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.117 -9.951 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.513 -10.688 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.630 -10.236 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.313 -10.606 -4.166 1.00 0.00 H new ATOM 1031 N PRO A 63 2.758 -11.783 4.206 1.00 0.00 N ATOM 1032 CA PRO A 63 2.925 -11.555 5.645 1.00 0.00 C ATOM 1033 C PRO A 63 3.814 -10.350 5.937 1.00 0.00 C ATOM 1034 O PRO A 63 4.885 -10.199 5.351 1.00 0.00 O ATOM 1035 CB PRO A 63 3.591 -12.842 6.146 1.00 0.00 C ATOM 1036 CG PRO A 63 3.307 -13.861 5.096 1.00 0.00 C ATOM 1037 CD PRO A 63 3.250 -13.109 3.798 1.00 0.00 C ATOM 0 HA PRO A 63 1.974 -11.339 6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.664 -12.704 6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.185 -13.146 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.085 -14.624 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.365 -14.373 5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.229 -13.048 3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.579 -13.586 3.084 1.00 0.00 H new ATOM 1045 N GLY A 64 3.362 -9.496 6.851 1.00 0.00 N ATOM 1046 CA GLY A 64 4.130 -8.316 7.208 1.00 0.00 C ATOM 1047 C GLY A 64 4.341 -7.375 6.036 1.00 0.00 C ATOM 1048 O GLY A 64 5.283 -6.583 6.033 1.00 0.00 O ATOM 0 H GLY A 64 2.479 -9.600 7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.617 -7.783 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.099 -8.624 7.600 1.00 0.00 H new ATOM 1052 N TYR A 65 3.462 -7.460 5.041 1.00 0.00 N ATOM 1053 CA TYR A 65 3.560 -6.606 3.859 1.00 0.00 C ATOM 1054 C TYR A 65 2.346 -5.688 3.747 1.00 0.00 C ATOM 1055 O TYR A 65 1.267 -6.006 4.245 1.00 0.00 O ATOM 1056 CB TYR A 65 3.686 -7.461 2.596 1.00 0.00 C ATOM 1057 CG TYR A 65 5.104 -7.601 2.091 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.772 -6.522 1.525 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.776 -8.815 2.180 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.066 -6.649 1.061 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.071 -8.949 1.719 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.711 -7.862 1.160 1.00 0.00 C ATOM 1063 OH TYR A 65 9.001 -7.993 0.699 1.00 0.00 O ATOM 0 H TYR A 65 2.676 -8.109 5.029 1.00 0.00 H new ATOM 0 HA TYR A 65 4.451 -5.987 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.283 -8.453 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.072 -7.023 1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.271 -5.569 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.277 -9.667 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.570 -5.801 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.580 -9.899 1.796 1.00 0.00 H new ATOM 0 HH TYR A 65 9.309 -8.912 0.845 1.00 0.00 H new ATOM 1073 N LEU A 66 2.532 -4.549 3.087 1.00 0.00 N ATOM 1074 CA LEU A 66 1.453 -3.583 2.903 1.00 0.00 C ATOM 1075 C LEU A 66 1.767 -2.636 1.747 1.00 0.00 C ATOM 1076 O LEU A 66 2.858 -2.070 1.682 1.00 0.00 O ATOM 1077 CB LEU A 66 1.233 -2.783 4.190 1.00 0.00 C ATOM 1078 CG LEU A 66 0.019 -3.210 5.020 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.451 -4.088 6.185 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.740 -1.991 5.524 1.00 0.00 C ATOM 0 H LEU A 66 3.421 -4.272 2.670 1.00 0.00 H new ATOM 0 HA LEU A 66 0.541 -4.130 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.126 -2.868 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.124 -1.730 3.931 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.647 -3.789 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.425 -4.382 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.950 -4.979 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.138 -3.533 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.599 -2.315 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.082 -1.385 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.083 -1.399 4.675 1.00 0.00 H new ATOM 1092 N PHE A 67 0.807 -2.460 0.842 1.00 0.00 N ATOM 1093 CA PHE A 67 0.994 -1.570 -0.302 1.00 0.00 C ATOM 1094 C PHE A 67 0.141 -0.317 -0.150 1.00 0.00 C ATOM 1095 O PHE A 67 -0.985 -0.377 0.346 1.00 0.00 O ATOM 1096 CB PHE A 67 0.656 -2.279 -1.621 1.00 0.00 C ATOM 1097 CG PHE A 67 0.660 -3.779 -1.537 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.842 -4.478 -1.349 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.523 -4.489 -1.641 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.840 -5.858 -1.272 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.534 -5.863 -1.563 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.650 -6.553 -1.379 1.00 0.00 C ATOM 0 H PHE A 67 -0.103 -2.919 0.878 1.00 0.00 H new ATOM 0 HA PHE A 67 2.045 -1.283 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.327 -1.948 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.373 -1.968 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.774 -3.939 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.452 -3.957 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.767 -6.393 -1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.466 -6.402 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.645 -7.631 -1.319 1.00 0.00 H new ATOM 1112 N ILE A 68 0.685 0.818 -0.576 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.026 2.087 -0.479 1.00 0.00 C ATOM 1114 C ILE A 68 0.157 2.925 -1.740 1.00 0.00 C ATOM 1115 O ILE A 68 1.280 3.254 -2.119 1.00 0.00 O ATOM 1116 CB ILE A 68 0.462 2.910 0.731 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.588 2.023 1.971 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.483 4.073 0.996 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.006 1.575 2.245 1.00 0.00 C ATOM 0 H ILE A 68 1.614 0.885 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.081 1.844 -0.355 1.00 0.00 H new ATOM 0 HB ILE A 68 1.448 3.313 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.212 2.567 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.045 1.145 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.126 4.644 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.520 4.719 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.481 3.690 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.024 0.950 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.378 1.004 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.640 2.448 2.401 1.00 0.00 H new ATOM 1131 N GLN A 69 -0.952 3.282 -2.380 1.00 0.00 N ATOM 1132 CA GLN A 69 -0.899 4.094 -3.590 1.00 0.00 C ATOM 1133 C GLN A 69 -0.702 5.562 -3.232 1.00 0.00 C ATOM 1134 O GLN A 69 -1.579 6.397 -3.469 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.178 3.920 -4.410 1.00 0.00 C ATOM 1136 CG GLN A 69 -1.989 4.194 -5.892 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.242 3.921 -6.700 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -3.291 2.982 -7.494 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.265 4.743 -6.501 1.00 0.00 N ATOM 0 H GLN A 69 -1.893 3.024 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.053 3.761 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.547 2.903 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.944 4.589 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.691 5.233 -6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.175 3.576 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.181 5.509 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.135 4.609 -7.016 1.00 0.00 H new ATOM 1148 N MET A 70 0.456 5.860 -2.651 1.00 0.00 N ATOM 1149 CA MET A 70 0.792 7.221 -2.246 1.00 0.00 C ATOM 1150 C MET A 70 1.538 7.956 -3.358 1.00 0.00 C ATOM 1151 O MET A 70 1.622 7.472 -4.486 1.00 0.00 O ATOM 1152 CB MET A 70 1.633 7.202 -0.967 1.00 0.00 C ATOM 1153 CG MET A 70 2.965 6.487 -1.123 1.00 0.00 C ATOM 1154 SD MET A 70 3.895 6.411 0.420 1.00 0.00 S ATOM 1155 CE MET A 70 2.619 5.890 1.564 1.00 0.00 C ATOM 0 H MET A 70 1.182 5.172 -2.449 1.00 0.00 H new ATOM 0 HA MET A 70 -0.138 7.755 -2.050 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.816 8.228 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.062 6.719 -0.174 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.790 5.475 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.562 6.999 -1.878 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.062 5.275 2.348 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.151 6.767 2.011 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.866 5.310 1.030 1.00 0.00 H new ATOM 1165 N ASP A 71 2.087 9.123 -3.028 1.00 0.00 N ATOM 1166 CA ASP A 71 2.833 9.921 -3.994 1.00 0.00 C ATOM 1167 C ASP A 71 3.941 10.711 -3.304 1.00 0.00 C ATOM 1168 O ASP A 71 3.785 11.899 -3.022 1.00 0.00 O ATOM 1169 CB ASP A 71 1.895 10.875 -4.733 1.00 0.00 C ATOM 1170 CG ASP A 71 2.322 11.110 -6.169 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.982 10.219 -6.745 1.00 0.00 O ATOM 1172 OD2 ASP A 71 1.997 12.184 -6.718 1.00 0.00 O ATOM 0 H ASP A 71 2.028 9.536 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 71 3.289 9.242 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.884 10.469 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.862 11.829 -4.206 1.00 0.00 H new ATOM 1177 N LEU A 72 5.058 10.043 -3.031 1.00 0.00 N ATOM 1178 CA LEU A 72 6.192 10.685 -2.369 1.00 0.00 C ATOM 1179 C LEU A 72 7.394 10.777 -3.302 1.00 0.00 C ATOM 1180 O LEU A 72 8.197 11.704 -3.205 1.00 0.00 O ATOM 1181 CB LEU A 72 6.576 9.914 -1.107 1.00 0.00 C ATOM 1182 CG LEU A 72 7.140 8.510 -1.347 1.00 0.00 C ATOM 1183 CD1 LEU A 72 8.649 8.567 -1.535 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.779 7.586 -0.193 1.00 0.00 C ATOM 0 H LEU A 72 5.203 9.059 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 72 5.890 11.696 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.315 10.496 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.696 9.831 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 72 6.695 8.111 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.033 7.561 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.885 9.195 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.111 8.986 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.188 6.593 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.196 7.981 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.695 7.521 -0.104 1.00 0.00 H new ATOM 1196 N GLY A 73 7.514 9.803 -4.201 1.00 0.00 N ATOM 1197 CA GLY A 73 8.626 9.781 -5.139 1.00 0.00 C ATOM 1198 C GLY A 73 8.882 11.131 -5.784 1.00 0.00 C ATOM 1199 O GLY A 73 8.258 11.476 -6.788 1.00 0.00 O ATOM 0 H GLY A 73 6.860 9.026 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.527 9.456 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.424 9.045 -5.917 1.00 0.00 H new ATOM 1203 N ASP A 74 9.804 11.894 -5.206 1.00 0.00 N ATOM 1204 CA ASP A 74 10.144 13.213 -5.727 1.00 0.00 C ATOM 1205 C ASP A 74 11.659 13.408 -5.810 1.00 0.00 C ATOM 1206 O ASP A 74 12.134 14.506 -6.096 1.00 0.00 O ATOM 1207 CB ASP A 74 9.531 14.301 -4.843 1.00 0.00 C ATOM 1208 CG ASP A 74 8.859 15.393 -5.653 1.00 0.00 C ATOM 1209 OD1 ASP A 74 9.561 16.338 -6.070 1.00 0.00 O ATOM 1210 OD2 ASP A 74 7.633 15.302 -5.870 1.00 0.00 O ATOM 0 H ASP A 74 10.330 11.621 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 74 9.736 13.288 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.802 13.850 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.310 14.741 -4.220 1.00 0.00 H new ATOM 1215 N GLU A 75 12.412 12.338 -5.563 1.00 0.00 N ATOM 1216 CA GLU A 75 13.870 12.398 -5.612 1.00 0.00 C ATOM 1217 C GLU A 75 14.424 13.202 -4.441 1.00 0.00 C ATOM 1218 O GLU A 75 15.108 12.664 -3.571 1.00 0.00 O ATOM 1219 CB GLU A 75 14.339 13.013 -6.934 1.00 0.00 C ATOM 1220 CG GLU A 75 15.591 12.359 -7.497 1.00 0.00 C ATOM 1221 CD GLU A 75 15.279 11.312 -8.548 1.00 0.00 C ATOM 1222 OE1 GLU A 75 14.430 10.436 -8.281 1.00 0.00 O ATOM 1223 OE2 GLU A 75 15.883 11.369 -9.641 1.00 0.00 O ATOM 0 H GLU A 75 12.036 11.420 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 75 14.248 11.378 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.536 12.934 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 75 14.530 14.076 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 75 16.233 13.125 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 75 16.152 11.897 -6.685 1.00 0.00 H new ATOM 1230 N GLU A 76 14.123 14.493 -4.431 1.00 0.00 N ATOM 1231 CA GLU A 76 14.588 15.383 -3.371 1.00 0.00 C ATOM 1232 C GLU A 76 14.204 14.848 -1.996 1.00 0.00 C ATOM 1233 O GLU A 76 15.059 14.414 -1.224 1.00 0.00 O ATOM 1234 CB GLU A 76 14.010 16.788 -3.565 1.00 0.00 C ATOM 1235 CG GLU A 76 15.016 17.899 -3.319 1.00 0.00 C ATOM 1236 CD GLU A 76 15.005 18.387 -1.883 1.00 0.00 C ATOM 1237 OE1 GLU A 76 15.668 17.754 -1.035 1.00 0.00 O ATOM 1238 OE2 GLU A 76 14.332 19.402 -1.607 1.00 0.00 O ATOM 0 H GLU A 76 13.557 14.950 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 76 15.675 15.432 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.625 16.876 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.164 16.920 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.015 17.542 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.799 18.735 -3.985 1.00 0.00 H new ATOM 1245 N GLU A 77 12.913 14.883 -1.698 1.00 0.00 N ATOM 1246 CA GLU A 77 12.410 14.403 -0.415 1.00 0.00 C ATOM 1247 C GLU A 77 10.922 14.066 -0.505 1.00 0.00 C ATOM 1248 O GLU A 77 10.199 14.629 -1.326 1.00 0.00 O ATOM 1249 CB GLU A 77 12.641 15.452 0.673 1.00 0.00 C ATOM 1250 CG GLU A 77 14.078 15.512 1.164 1.00 0.00 C ATOM 1251 CD GLU A 77 14.185 16.024 2.587 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.588 15.400 3.489 1.00 0.00 O ATOM 1253 OE2 GLU A 77 14.868 17.049 2.800 1.00 0.00 O ATOM 0 H GLU A 77 12.193 15.239 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 77 12.956 13.496 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.356 16.431 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.986 15.238 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.520 14.518 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.657 16.158 0.504 1.00 0.00 H new ATOM 1260 N PRO A 78 10.447 13.138 0.345 1.00 0.00 N ATOM 1261 CA PRO A 78 9.041 12.728 0.359 1.00 0.00 C ATOM 1262 C PRO A 78 8.132 13.797 0.958 1.00 0.00 C ATOM 1263 O PRO A 78 8.600 14.846 1.402 1.00 0.00 O ATOM 1264 CB PRO A 78 9.048 11.477 1.239 1.00 0.00 C ATOM 1265 CG PRO A 78 10.210 11.665 2.149 1.00 0.00 C ATOM 1266 CD PRO A 78 11.244 12.419 1.357 1.00 0.00 C ATOM 0 HA PRO A 78 8.654 12.557 -0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.118 11.381 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.155 10.572 0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.920 12.221 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.601 10.705 2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.808 13.107 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.965 11.745 0.895 1.00 0.00 H new ATOM 1274 N ASN A 79 6.833 13.522 0.970 1.00 0.00 N ATOM 1275 CA ASN A 79 5.859 14.458 1.517 1.00 0.00 C ATOM 1276 C ASN A 79 5.632 14.204 3.004 1.00 0.00 C ATOM 1277 O ASN A 79 6.236 13.304 3.589 1.00 0.00 O ATOM 1278 CB ASN A 79 4.533 14.349 0.759 1.00 0.00 C ATOM 1279 CG ASN A 79 4.452 15.314 -0.407 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.497 14.908 -1.567 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.331 16.601 -0.101 1.00 0.00 N ATOM 0 H ASN A 79 6.430 12.658 0.607 1.00 0.00 H new ATOM 0 HA ASN A 79 6.256 15.466 1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.410 13.330 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.709 14.543 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.271 17.298 -0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.298 16.892 0.876 1.00 0.00 H new ATOM 1288 N GLU A 80 4.759 15.002 3.610 1.00 0.00 N ATOM 1289 CA GLU A 80 4.452 14.864 5.029 1.00 0.00 C ATOM 1290 C GLU A 80 3.854 13.494 5.333 1.00 0.00 C ATOM 1291 O GLU A 80 3.932 13.009 6.462 1.00 0.00 O ATOM 1292 CB GLU A 80 3.486 15.964 5.471 1.00 0.00 C ATOM 1293 CG GLU A 80 3.234 15.988 6.969 1.00 0.00 C ATOM 1294 CD GLU A 80 4.013 17.081 7.673 1.00 0.00 C ATOM 1295 OE1 GLU A 80 3.518 18.227 7.721 1.00 0.00 O ATOM 1296 OE2 GLU A 80 5.116 16.790 8.182 1.00 0.00 O ATOM 0 H GLU A 80 4.251 15.752 3.140 1.00 0.00 H new ATOM 0 HA GLU A 80 5.385 14.961 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.884 16.931 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.536 15.831 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.169 16.130 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.505 15.022 7.395 1.00 0.00 H new ATOM 1303 N ALA A 81 3.251 12.873 4.321 1.00 0.00 N ATOM 1304 CA ALA A 81 2.638 11.559 4.485 1.00 0.00 C ATOM 1305 C ALA A 81 3.629 10.552 5.058 1.00 0.00 C ATOM 1306 O ALA A 81 3.313 9.821 5.997 1.00 0.00 O ATOM 1307 CB ALA A 81 2.092 11.063 3.154 1.00 0.00 C ATOM 0 H ALA A 81 3.175 13.259 3.380 1.00 0.00 H new ATOM 0 HA ALA A 81 1.815 11.658 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.637 10.082 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.342 11.762 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.905 10.989 2.432 1.00 0.00 H new ATOM 1313 N TRP A 82 4.828 10.518 4.488 1.00 0.00 N ATOM 1314 CA TRP A 82 5.865 9.599 4.943 1.00 0.00 C ATOM 1315 C TRP A 82 6.201 9.839 6.411 1.00 0.00 C ATOM 1316 O TRP A 82 6.368 8.894 7.182 1.00 0.00 O ATOM 1317 CB TRP A 82 7.123 9.750 4.089 1.00 0.00 C ATOM 1318 CG TRP A 82 8.071 8.598 4.221 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.405 8.662 4.502 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.756 7.207 4.080 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.940 7.397 4.545 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.948 6.488 4.288 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.583 6.504 3.799 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.998 5.096 4.223 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.633 5.124 3.735 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.834 4.434 3.946 1.00 0.00 C ATOM 0 H TRP A 82 5.106 11.116 3.710 1.00 0.00 H new ATOM 0 HA TRP A 82 5.484 8.583 4.838 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.833 9.855 3.043 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.637 10.669 4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.959 9.574 4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.916 7.172 4.737 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.653 7.029 3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.922 4.561 4.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.732 4.569 3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.841 3.356 3.889 1.00 0.00 H new ATOM 1337 N GLU A 83 6.298 11.108 6.791 1.00 0.00 N ATOM 1338 CA GLU A 83 6.612 11.470 8.169 1.00 0.00 C ATOM 1339 C GLU A 83 5.560 10.926 9.128 1.00 0.00 C ATOM 1340 O GLU A 83 5.863 10.583 10.271 1.00 0.00 O ATOM 1341 CB GLU A 83 6.707 12.990 8.309 1.00 0.00 C ATOM 1342 CG GLU A 83 7.851 13.604 7.519 1.00 0.00 C ATOM 1343 CD GLU A 83 8.572 14.693 8.286 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.969 15.258 9.223 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.740 14.983 7.951 1.00 0.00 O ATOM 0 H GLU A 83 6.164 11.903 6.166 1.00 0.00 H new ATOM 0 HA GLU A 83 7.574 11.026 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.769 13.436 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.827 13.243 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.562 12.823 7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.464 14.017 6.587 1.00 0.00 H new ATOM 1352 N VAL A 84 4.320 10.847 8.654 1.00 0.00 N ATOM 1353 CA VAL A 84 3.221 10.343 9.469 1.00 0.00 C ATOM 1354 C VAL A 84 3.184 8.819 9.455 1.00 0.00 C ATOM 1355 O VAL A 84 3.101 8.180 10.504 1.00 0.00 O ATOM 1356 CB VAL A 84 1.864 10.884 8.981 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.752 10.490 9.941 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.923 12.396 8.814 1.00 0.00 C ATOM 0 H VAL A 84 4.052 11.126 7.710 1.00 0.00 H new ATOM 0 HA VAL A 84 3.395 10.691 10.487 1.00 0.00 H new ATOM 0 HB VAL A 84 1.645 10.440 8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.198 10.882 9.578 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.695 9.403 10.006 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.961 10.902 10.928 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.956 12.762 8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.165 12.859 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.690 12.652 8.083 1.00 0.00 H new ATOM 1368 N VAL A 85 3.249 8.241 8.258 1.00 0.00 N ATOM 1369 CA VAL A 85 3.226 6.790 8.110 1.00 0.00 C ATOM 1370 C VAL A 85 4.398 6.148 8.843 1.00 0.00 C ATOM 1371 O VAL A 85 4.217 5.221 9.634 1.00 0.00 O ATOM 1372 CB VAL A 85 3.271 6.376 6.627 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.075 4.872 6.487 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.224 7.135 5.825 1.00 0.00 C ATOM 0 H VAL A 85 3.318 8.754 7.379 1.00 0.00 H new ATOM 0 HA VAL A 85 2.291 6.440 8.547 1.00 0.00 H new ATOM 0 HB VAL A 85 4.253 6.631 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.110 4.597 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.867 4.350 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.108 4.591 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.273 6.828 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.233 6.916 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.416 8.206 5.898 1.00 0.00 H new ATOM 1384 N ARG A 86 5.600 6.645 8.575 1.00 0.00 N ATOM 1385 CA ARG A 86 6.804 6.121 9.211 1.00 0.00 C ATOM 1386 C ARG A 86 6.801 6.406 10.710 1.00 0.00 C ATOM 1387 O ARG A 86 7.430 5.692 11.489 1.00 0.00 O ATOM 1388 CB ARG A 86 8.051 6.730 8.568 1.00 0.00 C ATOM 1389 CG ARG A 86 9.279 5.840 8.660 1.00 0.00 C ATOM 1390 CD ARG A 86 10.491 6.492 8.013 1.00 0.00 C ATOM 1391 NE ARG A 86 11.196 7.379 8.936 1.00 0.00 N ATOM 1392 CZ ARG A 86 10.896 8.666 9.107 1.00 0.00 C ATOM 1393 NH1 ARG A 86 9.906 9.225 8.421 1.00 0.00 N ATOM 1394 NH2 ARG A 86 11.588 9.397 9.970 1.00 0.00 N ATOM 0 H ARG A 86 5.767 7.410 7.922 1.00 0.00 H new ATOM 0 HA ARG A 86 6.818 5.041 9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.843 6.940 7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.268 7.685 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.496 5.625 9.706 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.075 4.886 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.174 5.719 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.173 7.059 7.138 1.00 0.00 H new ATOM 0 HE ARG A 86 11.964 6.989 9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.368 8.668 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.683 10.211 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.349 8.974 10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.360 10.382 10.102 1.00 0.00 H new ATOM 1408 N GLY A 87 6.089 7.459 11.106 1.00 0.00 N ATOM 1409 CA GLY A 87 6.021 7.821 12.510 1.00 0.00 C ATOM 1410 C GLY A 87 5.182 6.854 13.324 1.00 0.00 C ATOM 1411 O GLY A 87 5.462 6.622 14.501 1.00 0.00 O ATOM 0 H GLY A 87 5.560 8.066 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.030 7.856 12.921 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.604 8.824 12.603 1.00 0.00 H new ATOM 1415 N THR A 88 4.152 6.292 12.703 1.00 0.00 N ATOM 1416 CA THR A 88 3.272 5.350 13.386 1.00 0.00 C ATOM 1417 C THR A 88 4.047 4.115 13.842 1.00 0.00 C ATOM 1418 O THR A 88 4.958 3.654 13.153 1.00 0.00 O ATOM 1419 CB THR A 88 2.120 4.934 12.468 1.00 0.00 C ATOM 1420 OG1 THR A 88 2.613 4.293 11.304 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.258 6.096 12.023 1.00 0.00 C ATOM 0 H THR A 88 3.905 6.471 11.730 1.00 0.00 H new ATOM 0 HA THR A 88 2.863 5.847 14.266 1.00 0.00 H new ATOM 0 HB THR A 88 1.507 4.257 13.063 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.014 4.960 10.708 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.461 5.731 11.375 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.822 6.581 12.896 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.869 6.814 11.476 1.00 0.00 H new ATOM 1429 N PRO A 89 3.695 3.561 15.017 1.00 0.00 N ATOM 1430 CA PRO A 89 4.366 2.373 15.560 1.00 0.00 C ATOM 1431 C PRO A 89 4.119 1.132 14.712 1.00 0.00 C ATOM 1432 O PRO A 89 3.147 0.406 14.921 1.00 0.00 O ATOM 1433 CB PRO A 89 3.737 2.207 16.947 1.00 0.00 C ATOM 1434 CG PRO A 89 2.422 2.898 16.856 1.00 0.00 C ATOM 1435 CD PRO A 89 2.621 4.043 15.904 1.00 0.00 C ATOM 0 HA PRO A 89 5.449 2.493 15.582 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.613 1.154 17.201 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.364 2.650 17.721 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.649 2.220 16.494 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.100 3.255 17.834 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.710 4.268 15.348 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.909 4.955 16.426 1.00 0.00 H new ATOM 1443 N GLY A 90 5.007 0.892 13.752 1.00 0.00 N ATOM 1444 CA GLY A 90 4.870 -0.262 12.885 1.00 0.00 C ATOM 1445 C GLY A 90 5.754 -0.172 11.658 1.00 0.00 C ATOM 1446 O GLY A 90 6.289 -1.180 11.196 1.00 0.00 O ATOM 0 H GLY A 90 5.820 1.478 13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.120 -1.164 13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.830 -0.357 12.574 1.00 0.00 H new ATOM 1450 N ILE A 91 5.907 1.037 11.129 1.00 0.00 N ATOM 1451 CA ILE A 91 6.735 1.253 9.948 1.00 0.00 C ATOM 1452 C ILE A 91 8.142 1.693 10.336 1.00 0.00 C ATOM 1453 O ILE A 91 8.323 2.698 11.022 1.00 0.00 O ATOM 1454 CB ILE A 91 6.114 2.308 9.012 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.688 1.905 8.631 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.969 2.487 7.764 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.608 0.554 7.954 1.00 0.00 C ATOM 0 H ILE A 91 5.469 1.881 11.498 1.00 0.00 H new ATOM 0 HA ILE A 91 6.790 0.301 9.421 1.00 0.00 H new ATOM 0 HB ILE A 91 6.077 3.261 9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.070 1.891 9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.269 2.661 7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.514 3.236 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.968 2.815 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.037 1.539 7.231 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.569 0.330 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.200 0.570 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.997 -0.212 8.624 1.00 0.00 H new ATOM 1469 N THR A 92 9.135 0.928 9.894 1.00 0.00 N ATOM 1470 CA THR A 92 10.528 1.238 10.194 1.00 0.00 C ATOM 1471 C THR A 92 11.430 0.892 9.013 1.00 0.00 C ATOM 1472 O THR A 92 12.598 0.543 9.193 1.00 0.00 O ATOM 1473 CB THR A 92 10.985 0.473 11.438 1.00 0.00 C ATOM 1474 OG1 THR A 92 11.179 -0.898 11.141 1.00 0.00 O ATOM 1475 CG2 THR A 92 10.001 0.558 12.586 1.00 0.00 C ATOM 0 H THR A 92 9.001 0.090 9.328 1.00 0.00 H new ATOM 0 HA THR A 92 10.603 2.309 10.384 1.00 0.00 H new ATOM 0 HB THR A 92 11.918 0.947 11.742 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.473 -1.369 11.949 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.385 -0.005 13.437 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.866 1.601 12.873 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.043 0.140 12.276 1.00 0.00 H new ATOM 1483 N GLY A 93 10.884 0.995 7.805 1.00 0.00 N ATOM 1484 CA GLY A 93 11.655 0.690 6.614 1.00 0.00 C ATOM 1485 C GLY A 93 12.175 -0.735 6.609 1.00 0.00 C ATOM 1486 O GLY A 93 13.073 -1.078 7.377 1.00 0.00 O ATOM 0 H GLY A 93 9.922 1.284 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.035 0.850 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.495 1.380 6.542 1.00 0.00 H new ATOM 1490 N PHE A 94 11.606 -1.568 5.743 1.00 0.00 N ATOM 1491 CA PHE A 94 12.017 -2.964 5.645 1.00 0.00 C ATOM 1492 C PHE A 94 11.683 -3.535 4.271 1.00 0.00 C ATOM 1493 O PHE A 94 11.249 -4.680 4.151 1.00 0.00 O ATOM 1494 CB PHE A 94 11.333 -3.792 6.732 1.00 0.00 C ATOM 1495 CG PHE A 94 11.960 -5.141 6.941 1.00 0.00 C ATOM 1496 CD1 PHE A 94 13.256 -5.252 7.415 1.00 0.00 C ATOM 1497 CD2 PHE A 94 11.251 -6.299 6.662 1.00 0.00 C ATOM 1498 CE1 PHE A 94 13.836 -6.492 7.607 1.00 0.00 C ATOM 1499 CE2 PHE A 94 11.824 -7.542 6.853 1.00 0.00 C ATOM 1500 CZ PHE A 94 13.119 -7.638 7.327 1.00 0.00 C ATOM 0 H PHE A 94 10.860 -1.301 5.100 1.00 0.00 H new ATOM 0 HA PHE A 94 13.097 -3.010 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.360 -3.238 7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.283 -3.925 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 94 13.821 -4.359 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 94 10.239 -6.229 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 94 14.849 -6.564 7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.261 -8.437 6.632 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.569 -8.608 7.478 1.00 0.00 H new ATOM 1510 N VAL A 95 11.888 -2.728 3.235 1.00 0.00 N ATOM 1511 CA VAL A 95 11.608 -3.154 1.869 1.00 0.00 C ATOM 1512 C VAL A 95 12.830 -3.808 1.224 1.00 0.00 C ATOM 1513 O VAL A 95 12.849 -4.048 0.016 1.00 0.00 O ATOM 1514 CB VAL A 95 11.151 -1.967 1.000 1.00 0.00 C ATOM 1515 CG1 VAL A 95 12.271 -0.946 0.854 1.00 0.00 C ATOM 1516 CG2 VAL A 95 10.676 -2.452 -0.362 1.00 0.00 C ATOM 0 H VAL A 95 12.247 -1.777 3.315 1.00 0.00 H new ATOM 0 HA VAL A 95 10.804 -3.888 1.926 1.00 0.00 H new ATOM 0 HB VAL A 95 10.312 -1.479 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.928 -0.116 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.554 -0.574 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 95 13.133 -1.417 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.357 -1.599 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.491 -2.967 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.838 -3.137 -0.232 1.00 0.00 H new ATOM 1526 N GLY A 96 13.849 -4.095 2.029 1.00 0.00 N ATOM 1527 CA GLY A 96 15.052 -4.716 1.508 1.00 0.00 C ATOM 1528 C GLY A 96 16.109 -3.700 1.124 1.00 0.00 C ATOM 1529 O GLY A 96 17.287 -3.868 1.444 1.00 0.00 O ATOM 0 H GLY A 96 13.862 -3.908 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.460 -5.395 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 96 14.798 -5.319 0.636 1.00 0.00 H new ATOM 1533 N ALA A 97 15.691 -2.643 0.435 1.00 0.00 N ATOM 1534 CA ALA A 97 16.610 -1.596 0.007 1.00 0.00 C ATOM 1535 C ALA A 97 17.327 -0.972 1.200 1.00 0.00 C ATOM 1536 O ALA A 97 18.478 -0.551 1.095 1.00 0.00 O ATOM 1537 CB ALA A 97 15.866 -0.529 -0.782 1.00 0.00 C ATOM 0 H ALA A 97 14.721 -2.489 0.161 1.00 0.00 H new ATOM 0 HA ALA A 97 17.362 -2.050 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.566 0.246 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.407 -0.981 -1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 97 15.091 -0.087 -0.155 1.00 0.00 H new ATOM 1543 N GLY A 98 16.637 -0.916 2.334 1.00 0.00 N ATOM 1544 CA GLY A 98 17.223 -0.342 3.531 1.00 0.00 C ATOM 1545 C GLY A 98 16.299 0.646 4.216 1.00 0.00 C ATOM 1546 O GLY A 98 15.693 0.332 5.241 1.00 0.00 O ATOM 0 H GLY A 98 15.682 -1.258 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.474 -1.142 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.156 0.159 3.270 1.00 0.00 H new ATOM 1550 N MET A 99 16.193 1.844 3.651 1.00 0.00 N ATOM 1551 CA MET A 99 15.338 2.884 4.213 1.00 0.00 C ATOM 1552 C MET A 99 14.335 3.384 3.178 1.00 0.00 C ATOM 1553 O MET A 99 13.157 3.573 3.481 1.00 0.00 O ATOM 1554 CB MET A 99 16.185 4.050 4.723 1.00 0.00 C ATOM 1555 CG MET A 99 17.252 3.634 5.724 1.00 0.00 C ATOM 1556 SD MET A 99 16.767 3.955 7.430 1.00 0.00 S ATOM 1557 CE MET A 99 15.438 2.771 7.631 1.00 0.00 C ATOM 0 H MET A 99 16.689 2.119 2.803 1.00 0.00 H new ATOM 0 HA MET A 99 14.786 2.452 5.048 1.00 0.00 H new ATOM 0 HB2 MET A 99 16.665 4.538 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 99 15.531 4.788 5.187 1.00 0.00 H new ATOM 0 HG2 MET A 99 17.462 2.571 5.604 1.00 0.00 H new ATOM 0 HG3 MET A 99 18.177 4.169 5.507 1.00 0.00 H new ATOM 0 HE1 MET A 99 15.236 2.628 8.692 1.00 0.00 H new ATOM 0 HE2 MET A 99 14.540 3.144 7.138 1.00 0.00 H new ATOM 0 HE3 MET A 99 15.728 1.820 7.185 1.00 0.00 H new ATOM 1567 N ARG A 100 14.812 3.598 1.955 1.00 0.00 N ATOM 1568 CA ARG A 100 13.958 4.078 0.876 1.00 0.00 C ATOM 1569 C ARG A 100 13.003 2.980 0.405 1.00 0.00 C ATOM 1570 O ARG A 100 13.442 1.930 -0.066 1.00 0.00 O ATOM 1571 CB ARG A 100 14.811 4.563 -0.297 1.00 0.00 C ATOM 1572 CG ARG A 100 15.235 6.019 -0.178 1.00 0.00 C ATOM 1573 CD ARG A 100 16.605 6.252 -0.795 1.00 0.00 C ATOM 1574 NE ARG A 100 16.749 7.613 -1.307 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.919 8.185 -1.576 1.00 0.00 C ATOM 1576 NH1 ARG A 100 19.052 7.519 -1.383 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.960 9.426 -2.040 1.00 0.00 N ATOM 0 H ARG A 100 15.785 3.446 1.688 1.00 0.00 H new ATOM 0 HA ARG A 100 13.366 4.910 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 100 15.701 3.939 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.251 4.430 -1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.500 6.655 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.254 6.309 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 100 17.376 6.062 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.764 5.541 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 100 15.901 8.157 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 100 19.028 6.564 -1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 100 19.946 7.963 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.094 9.943 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.858 9.864 -2.246 1.00 0.00 H new ATOM 1591 N PRO A 101 11.682 3.204 0.524 1.00 0.00 N ATOM 1592 CA PRO A 101 10.675 2.223 0.103 1.00 0.00 C ATOM 1593 C PRO A 101 10.865 1.782 -1.344 1.00 0.00 C ATOM 1594 O PRO A 101 11.869 2.109 -1.976 1.00 0.00 O ATOM 1595 CB PRO A 101 9.352 2.976 0.261 1.00 0.00 C ATOM 1596 CG PRO A 101 9.630 4.024 1.281 1.00 0.00 C ATOM 1597 CD PRO A 101 11.064 4.426 1.074 1.00 0.00 C ATOM 0 HA PRO A 101 10.731 1.307 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.033 3.418 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.554 2.309 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.963 4.877 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.473 3.640 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.151 5.266 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.536 4.730 2.008 1.00 0.00 H new ATOM 1605 N VAL A 102 9.894 1.037 -1.864 1.00 0.00 N ATOM 1606 CA VAL A 102 9.955 0.553 -3.239 1.00 0.00 C ATOM 1607 C VAL A 102 8.554 0.384 -3.831 1.00 0.00 C ATOM 1608 O VAL A 102 7.773 -0.446 -3.362 1.00 0.00 O ATOM 1609 CB VAL A 102 10.701 -0.794 -3.326 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.845 -1.239 -4.777 1.00 0.00 C ATOM 1611 CG2 VAL A 102 12.062 -0.694 -2.657 1.00 0.00 C ATOM 0 H VAL A 102 9.056 0.756 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 102 10.500 1.303 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 102 10.114 -1.545 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.374 -2.191 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.857 -1.355 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.407 -0.489 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.574 -1.654 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.657 0.072 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.933 -0.429 -1.608 1.00 0.00 H new ATOM 1621 N PRO A 103 8.214 1.169 -4.870 1.00 0.00 N ATOM 1622 CA PRO A 103 6.901 1.092 -5.518 1.00 0.00 C ATOM 1623 C PRO A 103 6.708 -0.223 -6.268 1.00 0.00 C ATOM 1624 O PRO A 103 7.657 -0.767 -6.834 1.00 0.00 O ATOM 1625 CB PRO A 103 6.901 2.270 -6.505 1.00 0.00 C ATOM 1626 CG PRO A 103 8.069 3.117 -6.122 1.00 0.00 C ATOM 1627 CD PRO A 103 9.068 2.188 -5.497 1.00 0.00 C ATOM 0 HA PRO A 103 6.091 1.137 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.992 1.920 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.971 2.834 -6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.492 3.615 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.772 3.898 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.737 1.754 -6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.693 2.699 -4.765 1.00 0.00 H new ATOM 1635 N LEU A 104 5.481 -0.731 -6.268 1.00 0.00 N ATOM 1636 CA LEU A 104 5.174 -1.982 -6.952 1.00 0.00 C ATOM 1637 C LEU A 104 4.848 -1.737 -8.421 1.00 0.00 C ATOM 1638 O LEU A 104 4.491 -0.625 -8.812 1.00 0.00 O ATOM 1639 CB LEU A 104 4.001 -2.685 -6.267 1.00 0.00 C ATOM 1640 CG LEU A 104 4.264 -3.130 -4.827 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.313 -2.433 -3.867 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.136 -4.642 -4.700 1.00 0.00 C ATOM 0 H LEU A 104 4.684 -0.297 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 104 6.055 -2.621 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.142 -2.014 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.727 -3.559 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 104 5.284 -2.848 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.517 -2.764 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.455 -1.354 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.285 -2.681 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.327 -4.938 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.129 -4.947 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.860 -5.125 -5.356 1.00 0.00 H new ATOM 1654 N SER A 105 4.974 -2.782 -9.232 1.00 0.00 N ATOM 1655 CA SER A 105 4.691 -2.681 -10.661 1.00 0.00 C ATOM 1656 C SER A 105 3.222 -2.986 -10.948 1.00 0.00 C ATOM 1657 O SER A 105 2.635 -3.873 -10.331 1.00 0.00 O ATOM 1658 CB SER A 105 5.586 -3.639 -11.448 1.00 0.00 C ATOM 1659 OG SER A 105 6.946 -3.246 -11.373 1.00 0.00 O ATOM 0 H SER A 105 5.270 -3.709 -8.925 1.00 0.00 H new ATOM 0 HA SER A 105 4.899 -1.659 -10.976 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.474 -4.650 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.269 -3.664 -12.490 1.00 0.00 H new ATOM 0 HG SER A 105 7.497 -3.876 -11.883 1.00 0.00 H new ATOM 1665 N PRO A 106 2.607 -2.254 -11.894 1.00 0.00 N ATOM 1666 CA PRO A 106 1.200 -2.452 -12.257 1.00 0.00 C ATOM 1667 C PRO A 106 0.854 -3.922 -12.482 1.00 0.00 C ATOM 1668 O PRO A 106 -0.235 -4.373 -12.130 1.00 0.00 O ATOM 1669 CB PRO A 106 1.061 -1.666 -13.560 1.00 0.00 C ATOM 1670 CG PRO A 106 2.082 -0.587 -13.456 1.00 0.00 C ATOM 1671 CD PRO A 106 3.234 -1.175 -12.684 1.00 0.00 C ATOM 0 HA PRO A 106 0.526 -2.123 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.241 -2.301 -14.428 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.058 -1.254 -13.670 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.403 -0.258 -14.444 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.676 0.286 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.007 -1.562 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.708 -0.432 -12.043 1.00 0.00 H new ATOM 1679 N ASP A 107 1.788 -4.663 -13.068 1.00 0.00 N ATOM 1680 CA ASP A 107 1.579 -6.082 -13.340 1.00 0.00 C ATOM 1681 C ASP A 107 1.321 -6.852 -12.048 1.00 0.00 C ATOM 1682 O ASP A 107 0.372 -7.630 -11.958 1.00 0.00 O ATOM 1683 CB ASP A 107 2.793 -6.667 -14.069 1.00 0.00 C ATOM 1684 CG ASP A 107 2.470 -7.079 -15.491 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.125 -6.195 -16.303 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.562 -8.288 -15.794 1.00 0.00 O ATOM 0 H ASP A 107 2.697 -4.306 -13.364 1.00 0.00 H new ATOM 0 HA ASP A 107 0.701 -6.180 -13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.596 -5.930 -14.081 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.162 -7.532 -13.518 1.00 0.00 H new ATOM 1691 N GLU A 108 2.171 -6.628 -11.052 1.00 0.00 N ATOM 1692 CA GLU A 108 2.033 -7.302 -9.764 1.00 0.00 C ATOM 1693 C GLU A 108 0.968 -6.624 -8.909 1.00 0.00 C ATOM 1694 O GLU A 108 0.261 -7.283 -8.145 1.00 0.00 O ATOM 1695 CB GLU A 108 3.372 -7.308 -9.022 1.00 0.00 C ATOM 1696 CG GLU A 108 4.213 -8.544 -9.297 1.00 0.00 C ATOM 1697 CD GLU A 108 3.745 -9.753 -8.512 1.00 0.00 C ATOM 1698 OE1 GLU A 108 2.537 -9.831 -8.206 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.586 -10.623 -8.204 1.00 0.00 O ATOM 0 H GLU A 108 2.962 -5.986 -11.110 1.00 0.00 H new ATOM 0 HA GLU A 108 1.724 -8.331 -9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.939 -6.422 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.185 -7.237 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.180 -8.772 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.253 -8.334 -9.048 1.00 0.00 H new ATOM 1706 N VAL A 109 0.859 -5.307 -9.042 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.120 -4.540 -8.283 1.00 0.00 C ATOM 1708 C VAL A 109 -1.536 -5.035 -8.561 1.00 0.00 C ATOM 1709 O VAL A 109 -2.302 -5.302 -7.636 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.035 -3.036 -8.613 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.060 -2.241 -7.816 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.371 -2.512 -8.351 1.00 0.00 C ATOM 0 H VAL A 109 1.438 -4.748 -9.669 1.00 0.00 H new ATOM 0 HA VAL A 109 0.111 -4.683 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.262 -2.909 -9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.977 -1.184 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.062 -2.594 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.875 -2.375 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.413 -1.449 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.624 -2.659 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.083 -3.052 -8.975 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.876 -5.150 -9.840 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.204 -5.606 -10.243 1.00 0.00 C ATOM 1724 C ARG A 110 -3.571 -6.918 -9.553 1.00 0.00 C ATOM 1725 O ARG A 110 -4.720 -7.125 -9.169 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.267 -5.775 -11.764 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.455 -5.077 -12.404 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.146 -4.642 -13.829 1.00 0.00 C ATOM 1729 NE ARG A 110 -5.200 -5.036 -14.762 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.505 -6.301 -15.045 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.837 -7.295 -14.474 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -6.477 -6.571 -15.904 1.00 0.00 N ATOM 0 H ARG A 110 -1.251 -4.934 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.927 -4.849 -9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.348 -5.386 -12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.309 -6.838 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.314 -5.747 -12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.731 -4.207 -11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.021 -3.560 -13.859 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.199 -5.081 -14.145 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.733 -4.299 -15.223 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.086 -7.092 -13.815 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.075 -8.262 -14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.991 -5.810 -16.348 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.711 -7.540 -16.121 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.588 -7.799 -9.398 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.820 -9.086 -8.753 1.00 0.00 C ATOM 1748 C HIS A 111 -3.115 -8.899 -7.271 1.00 0.00 C ATOM 1749 O HIS A 111 -4.123 -9.390 -6.762 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.609 -10.002 -8.934 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.688 -10.864 -10.157 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.870 -11.395 -10.628 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.722 -11.288 -11.007 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.628 -12.108 -11.713 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.333 -12.058 -11.965 1.00 0.00 N ATOM 0 H HIS A 111 -1.628 -7.647 -9.708 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.686 -9.551 -9.225 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.707 -9.392 -8.987 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.512 -10.640 -8.055 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.332 -11.062 -10.943 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.365 -12.642 -12.295 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.863 -12.517 -12.745 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.235 -8.183 -6.582 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.413 -7.929 -5.160 1.00 0.00 C ATOM 1766 C ILE A 112 -3.633 -7.047 -4.915 1.00 0.00 C ATOM 1767 O ILE A 112 -4.243 -7.097 -3.847 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.171 -7.261 -4.544 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.882 -5.926 -5.235 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.032 -8.185 -4.643 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.334 -5.212 -4.687 1.00 0.00 C ATOM 0 H ILE A 112 -1.394 -7.770 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.562 -8.896 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.370 -7.066 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.740 -6.101 -6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.752 -5.277 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.902 -7.698 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.175 -9.111 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.233 -8.410 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.478 -4.274 -5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.187 -5.005 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.214 -5.842 -4.815 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.986 -6.244 -5.915 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.137 -5.356 -5.810 1.00 0.00 C ATOM 1785 C LEU A 113 -6.434 -6.149 -5.910 1.00 0.00 C ATOM 1786 O LEU A 113 -7.392 -5.890 -5.181 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.087 -4.291 -6.909 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.664 -2.900 -6.441 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -3.348 -2.968 -5.681 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.552 -1.951 -7.624 1.00 0.00 C ATOM 0 H LEU A 113 -3.492 -6.191 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.104 -4.863 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.396 -4.623 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.072 -4.219 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.429 -2.517 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.063 -1.967 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.464 -3.613 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.573 -3.372 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.250 -0.965 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.808 -2.330 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.518 -1.877 -8.124 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.455 -7.116 -6.819 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.632 -7.953 -7.017 1.00 0.00 C ATOM 1804 C GLU A 114 -7.969 -8.736 -5.752 1.00 0.00 C ATOM 1805 O GLU A 114 -9.110 -9.151 -5.553 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.407 -8.916 -8.185 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.637 -9.117 -9.055 1.00 0.00 C ATOM 1808 CD GLU A 114 -9.655 -10.043 -8.418 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -9.432 -11.272 -8.436 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -10.675 -9.539 -7.902 1.00 0.00 O ATOM 0 H GLU A 114 -5.670 -7.340 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.474 -7.301 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.593 -8.539 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.088 -9.882 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.102 -8.151 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.333 -9.525 -10.019 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.968 -8.938 -4.898 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.162 -9.672 -3.655 1.00 0.00 C ATOM 1819 C VAL A 115 -7.868 -8.814 -2.611 1.00 0.00 C ATOM 1820 O VAL A 115 -8.943 -9.169 -2.128 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.822 -10.165 -3.077 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -6.054 -11.050 -1.860 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.023 -10.908 -4.138 1.00 0.00 C ATOM 0 H VAL A 115 -6.016 -8.603 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.785 -10.534 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.245 -9.296 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.095 -11.387 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.581 -10.483 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.653 -11.914 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.080 -11.249 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.594 -11.768 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.822 -10.240 -4.976 1.00 0.00 H new ATOM 1833 N SER A 116 -7.259 -7.685 -2.267 1.00 0.00 N ATOM 1834 CA SER A 116 -7.835 -6.780 -1.279 1.00 0.00 C ATOM 1835 C SER A 116 -9.209 -6.302 -1.729 1.00 0.00 C ATOM 1836 O SER A 116 -10.203 -6.484 -1.025 1.00 0.00 O ATOM 1837 CB SER A 116 -6.914 -5.582 -1.046 1.00 0.00 C ATOM 1838 OG SER A 116 -7.083 -5.056 0.258 1.00 0.00 O ATOM 0 H SER A 116 -6.369 -7.375 -2.656 1.00 0.00 H new ATOM 0 HA SER A 116 -7.944 -7.325 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.876 -5.884 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.125 -4.808 -1.784 1.00 0.00 H new ATOM 0 HG SER A 116 -6.256 -5.178 0.770 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.261 -5.694 -2.909 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.522 -5.204 -3.434 1.00 0.00 C ATOM 1846 C GLY A 117 -10.417 -3.809 -4.014 1.00 0.00 C ATOM 1847 O GLY A 117 -11.048 -2.874 -3.519 1.00 0.00 O ATOM 0 H GLY A 117 -8.454 -5.532 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.878 -5.887 -4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.266 -5.206 -2.638 1.00 0.00 H new ATOM 1851 N LEU A 118 -9.618 -3.666 -5.065 1.00 0.00 N ATOM 1852 CA LEU A 118 -9.435 -2.371 -5.714 1.00 0.00 C ATOM 1853 C LEU A 118 -9.542 -2.488 -7.236 1.00 0.00 C ATOM 1854 O LEU A 118 -9.313 -1.516 -7.955 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.077 -1.779 -5.337 1.00 0.00 C ATOM 1856 CG LEU A 118 -7.686 -1.941 -3.868 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -6.246 -1.502 -3.648 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -8.631 -1.148 -2.975 1.00 0.00 C ATOM 0 H LEU A 118 -9.087 -4.428 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.229 -1.711 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.310 -2.246 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.080 -0.717 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.767 -2.995 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.985 -1.624 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.582 -2.112 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.138 -0.454 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.338 -1.274 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.582 -0.092 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.650 -1.509 -3.112 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.890 -3.676 -7.722 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.023 -3.905 -9.156 1.00 0.00 C ATOM 1872 C LEU A 119 -11.474 -3.743 -9.598 1.00 0.00 C ATOM 1873 O LEU A 119 -11.751 -3.245 -10.690 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.514 -5.302 -9.521 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.414 -5.335 -10.584 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.045 -5.457 -9.932 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.646 -6.481 -11.558 1.00 0.00 C ATOM 0 H LEU A 119 -10.085 -4.494 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.419 -3.162 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.139 -5.783 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -10.356 -5.898 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.447 -4.399 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.275 -5.479 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.877 -4.603 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.000 -6.377 -9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.854 -6.488 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.641 -7.426 -11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.609 -6.350 -12.051 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.399 -4.169 -8.742 1.00 0.00 N ATOM 1890 CA GLY A 120 -13.811 -4.064 -9.062 1.00 0.00 C ATOM 1891 C GLY A 120 -14.252 -2.628 -9.267 1.00 0.00 C ATOM 1892 O GLY A 120 -14.652 -2.287 -10.399 1.00 0.00 O ATOM 1893 OXT GLY A 120 -14.198 -1.846 -8.295 1.00 0.00 O ATOM 0 H GLY A 120 -12.195 -4.585 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -14.020 -4.638 -9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -14.397 -4.510 -8.258 1.00 0.00 H new TER 1897 GLY A 120