USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 9 HIS :FLIP no HE2:sc= -3.73! C(o=-6.6!,f=-2.5!) USER MOD Set 1.2: A 65 TYR OH : rot -112:sc= 1.21 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.48 USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.754 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -0.163 (180deg=-0.531) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0269 K(o=-0.027,f=-0.73) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00559 X(o=-0.0056,f=0) USER MOD Single : A 42 THR OG1 : rot 38:sc= 0.0531 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -132:sc= -0.0372 (180deg=-1.17) USER MOD Single : A 69 GLN : amide:sc= -3.47 K(o=-3.5,f=-4.4!) USER MOD Single : A 70 MET CE :methyl -139:sc= -1.66 (180deg=-6.57!) USER MOD Single : A 79 ASN : amide:sc= -0.898 K(o=-0.9,f=-2.5!) USER MOD Single : A 88 THR OG1 : rot -83:sc= 1.01 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 111 HIS : no HD1:sc= -0.3 X(o=-0.3,f=0.0057) USER MOD Single : A 116 SER OG : rot 32:sc= -0.982 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.426 7.921 -9.206 1.00 0.00 N ATOM 15 CA ILE A 3 0.774 7.570 -7.835 1.00 0.00 C ATOM 16 C ILE A 3 1.556 6.257 -7.791 1.00 0.00 C ATOM 17 O ILE A 3 2.048 5.789 -8.818 1.00 0.00 O ATOM 18 CB ILE A 3 -0.487 7.464 -6.949 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.275 6.191 -7.260 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.365 8.690 -7.144 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.771 6.122 -8.689 1.00 0.00 C ATOM 0 HA ILE A 3 1.405 8.367 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.169 7.415 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.644 5.325 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.128 6.127 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.252 8.606 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.807 9.585 -6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.667 8.759 -8.189 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.321 5.193 -8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.428 6.969 -8.887 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.921 6.154 -9.371 1.00 0.00 H new ATOM 33 N GLU A 4 1.675 5.667 -6.604 1.00 0.00 N ATOM 34 CA GLU A 4 2.410 4.414 -6.457 1.00 0.00 C ATOM 35 C GLU A 4 1.986 3.652 -5.204 1.00 0.00 C ATOM 36 O GLU A 4 1.557 4.244 -4.210 1.00 0.00 O ATOM 37 CB GLU A 4 3.914 4.689 -6.413 1.00 0.00 C ATOM 38 CG GLU A 4 4.765 3.443 -6.591 1.00 0.00 C ATOM 39 CD GLU A 4 4.802 2.964 -8.029 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.846 3.257 -8.778 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.788 2.297 -8.407 1.00 0.00 O ATOM 0 H GLU A 4 1.277 6.032 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 4 2.177 3.792 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.167 5.406 -7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.162 5.155 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.781 3.650 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.375 2.647 -5.957 1.00 0.00 H new ATOM 48 N TRP A 5 2.124 2.329 -5.262 1.00 0.00 N ATOM 49 CA TRP A 5 1.774 1.464 -4.142 1.00 0.00 C ATOM 50 C TRP A 5 3.005 1.163 -3.292 1.00 0.00 C ATOM 51 O TRP A 5 3.741 0.218 -3.568 1.00 0.00 O ATOM 52 CB TRP A 5 1.175 0.149 -4.650 1.00 0.00 C ATOM 53 CG TRP A 5 -0.225 0.279 -5.166 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.604 0.522 -6.453 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.433 0.164 -4.407 1.00 0.00 C ATOM 56 NE1 TRP A 5 -1.974 0.564 -6.543 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.506 0.349 -5.298 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.712 -0.076 -3.058 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.834 0.299 -4.886 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.031 -0.125 -2.650 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.078 0.062 -3.561 1.00 0.00 C ATOM 0 H TRP A 5 2.478 1.832 -6.079 1.00 0.00 H new ATOM 0 HA TRP A 5 1.036 1.984 -3.531 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.809 -0.245 -5.444 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.187 -0.581 -3.841 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.075 0.661 -7.282 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.508 0.728 -7.396 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.911 -0.220 -2.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.643 0.442 -5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.259 -0.311 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.099 0.018 -3.210 1.00 0.00 H new ATOM 72 N TYR A 6 3.223 1.971 -2.261 1.00 0.00 N ATOM 73 CA TYR A 6 4.369 1.780 -1.380 1.00 0.00 C ATOM 74 C TYR A 6 4.081 0.701 -0.345 1.00 0.00 C ATOM 75 O TYR A 6 3.225 0.871 0.522 1.00 0.00 O ATOM 76 CB TYR A 6 4.735 3.095 -0.691 1.00 0.00 C ATOM 77 CG TYR A 6 5.561 4.015 -1.561 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.949 3.951 -1.553 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.953 4.945 -2.393 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.706 4.786 -2.351 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.703 5.785 -3.194 1.00 0.00 C ATOM 82 CZ TYR A 6 7.080 5.701 -3.169 1.00 0.00 C ATOM 83 OH TYR A 6 7.831 6.535 -3.965 1.00 0.00 O ATOM 0 H TYR A 6 2.625 2.760 -2.015 1.00 0.00 H new ATOM 0 HA TYR A 6 5.215 1.455 -1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.821 3.609 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.288 2.877 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.444 3.236 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.875 5.013 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.784 4.722 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.214 6.503 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 6 7.236 7.118 -4.481 1.00 0.00 H new ATOM 93 N ALA A 7 4.796 -0.413 -0.449 1.00 0.00 N ATOM 94 CA ALA A 7 4.612 -1.526 0.473 1.00 0.00 C ATOM 95 C ALA A 7 5.590 -1.451 1.639 1.00 0.00 C ATOM 96 O ALA A 7 6.724 -0.995 1.485 1.00 0.00 O ATOM 97 CB ALA A 7 4.767 -2.848 -0.263 1.00 0.00 C ATOM 0 H ALA A 7 5.508 -0.569 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 7 3.603 -1.461 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.627 -3.672 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.021 -2.913 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.764 -2.907 -0.699 1.00 0.00 H new ATOM 103 N VAL A 8 5.143 -1.906 2.804 1.00 0.00 N ATOM 104 CA VAL A 8 5.977 -1.899 4.001 1.00 0.00 C ATOM 105 C VAL A 8 6.098 -3.302 4.582 1.00 0.00 C ATOM 106 O VAL A 8 5.277 -4.175 4.309 1.00 0.00 O ATOM 107 CB VAL A 8 5.421 -0.932 5.074 1.00 0.00 C ATOM 108 CG1 VAL A 8 3.906 -1.026 5.151 1.00 0.00 C ATOM 109 CG2 VAL A 8 6.047 -1.187 6.441 1.00 0.00 C ATOM 0 H VAL A 8 4.207 -2.285 2.946 1.00 0.00 H new ATOM 0 HA VAL A 8 6.966 -1.549 3.706 1.00 0.00 H new ATOM 0 HB VAL A 8 5.690 0.080 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.537 -0.338 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.476 -0.764 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.617 -2.044 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.631 -0.489 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.832 -2.208 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.126 -1.047 6.379 1.00 0.00 H new ATOM 119 N HIS A 9 7.134 -3.504 5.382 1.00 0.00 N ATOM 120 CA HIS A 9 7.379 -4.799 6.007 1.00 0.00 C ATOM 121 C HIS A 9 7.302 -4.694 7.526 1.00 0.00 C ATOM 122 O HIS A 9 8.229 -4.204 8.172 1.00 0.00 O ATOM 123 CB HIS A 9 8.748 -5.339 5.592 1.00 0.00 C ATOM 124 CG HIS A 9 8.948 -5.390 4.107 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.645 -4.493 3.138 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.529 -6.464 3.463 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.042 -5.036 1.943 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.574 -6.223 2.163 1.00 0.00 N flip ATOM 0 H HIS A 9 7.821 -2.787 5.615 1.00 0.00 H new ATOM 0 HA HIS A 9 6.606 -5.488 5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.525 -4.715 6.034 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.873 -6.341 6.002 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.204 -3.583 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.890 -7.360 3.945 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.936 -4.567 0.976 1.00 0.00 H new ATOM 137 N THR A 10 6.192 -5.158 8.092 1.00 0.00 N ATOM 138 CA THR A 10 5.995 -5.116 9.536 1.00 0.00 C ATOM 139 C THR A 10 6.045 -6.519 10.133 1.00 0.00 C ATOM 140 O THR A 10 6.337 -7.491 9.436 1.00 0.00 O ATOM 141 CB THR A 10 4.656 -4.455 9.870 1.00 0.00 C ATOM 142 OG1 THR A 10 3.577 -5.240 9.394 1.00 0.00 O ATOM 143 CG2 THR A 10 4.510 -3.069 9.280 1.00 0.00 C ATOM 0 H THR A 10 5.416 -5.567 7.572 1.00 0.00 H new ATOM 0 HA THR A 10 6.802 -4.526 9.971 1.00 0.00 H new ATOM 0 HB THR A 10 4.636 -4.374 10.957 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.821 -4.657 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.539 -2.657 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.300 -2.424 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.586 -3.126 8.194 1.00 0.00 H new ATOM 151 N LEU A 11 5.761 -6.617 11.427 1.00 0.00 N ATOM 152 CA LEU A 11 5.773 -7.901 12.118 1.00 0.00 C ATOM 153 C LEU A 11 4.400 -8.564 12.059 1.00 0.00 C ATOM 154 O LEU A 11 3.375 -7.886 11.989 1.00 0.00 O ATOM 155 CB LEU A 11 6.206 -7.713 13.576 1.00 0.00 C ATOM 156 CG LEU A 11 7.535 -8.374 13.946 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.294 -7.521 14.951 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.299 -9.771 14.499 1.00 0.00 C ATOM 0 H LEU A 11 5.520 -5.822 12.019 1.00 0.00 H new ATOM 0 HA LEU A 11 6.489 -8.552 11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.278 -6.645 13.783 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.426 -8.111 14.225 1.00 0.00 H new ATOM 0 HG LEU A 11 8.140 -8.460 13.044 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.237 -8.007 15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.495 -6.541 14.518 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.695 -7.403 15.854 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.255 -10.227 14.757 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.674 -9.709 15.390 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.798 -10.380 13.747 1.00 0.00 H new ATOM 170 N VAL A 12 4.388 -9.893 12.088 1.00 0.00 N ATOM 171 CA VAL A 12 3.142 -10.647 12.036 1.00 0.00 C ATOM 172 C VAL A 12 2.363 -10.512 13.341 1.00 0.00 C ATOM 173 O VAL A 12 2.893 -10.768 14.420 1.00 0.00 O ATOM 174 CB VAL A 12 3.399 -12.140 11.759 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.811 -12.352 10.311 1.00 0.00 C ATOM 176 CG2 VAL A 12 4.457 -12.683 12.709 1.00 0.00 C ATOM 0 H VAL A 12 5.228 -10.469 12.147 1.00 0.00 H new ATOM 0 HA VAL A 12 2.554 -10.229 11.219 1.00 0.00 H new ATOM 0 HB VAL A 12 2.473 -12.688 11.931 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.988 -13.413 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.017 -12.002 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.724 -11.793 10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.626 -13.739 12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.387 -12.132 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.116 -12.567 13.738 1.00 0.00 H new ATOM 186 N GLY A 13 1.101 -10.107 13.232 1.00 0.00 N ATOM 187 CA GLY A 13 0.270 -9.945 14.410 1.00 0.00 C ATOM 188 C GLY A 13 0.247 -8.515 14.914 1.00 0.00 C ATOM 189 O GLY A 13 -0.706 -8.096 15.572 1.00 0.00 O ATOM 0 H GLY A 13 0.640 -9.888 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.747 -10.262 14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.636 -10.600 15.201 1.00 0.00 H new ATOM 193 N GLN A 14 1.299 -7.762 14.606 1.00 0.00 N ATOM 194 CA GLN A 14 1.396 -6.371 15.033 1.00 0.00 C ATOM 195 C GLN A 14 0.915 -5.425 13.935 1.00 0.00 C ATOM 196 O GLN A 14 0.513 -4.295 14.210 1.00 0.00 O ATOM 197 CB GLN A 14 2.840 -6.036 15.419 1.00 0.00 C ATOM 198 CG GLN A 14 2.979 -5.483 16.829 1.00 0.00 C ATOM 199 CD GLN A 14 4.284 -5.885 17.486 1.00 0.00 C ATOM 200 OE1 GLN A 14 5.228 -5.097 17.552 1.00 0.00 O ATOM 201 NE2 GLN A 14 4.345 -7.117 17.976 1.00 0.00 N ATOM 0 H GLN A 14 2.096 -8.092 14.062 1.00 0.00 H new ATOM 0 HA GLN A 14 0.753 -6.239 15.903 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.450 -6.935 15.328 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.237 -5.308 14.711 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.912 -4.396 16.797 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.146 -5.836 17.437 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.539 -7.737 17.899 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.198 -7.444 18.429 1.00 0.00 H new ATOM 210 N GLU A 15 0.961 -5.893 12.690 1.00 0.00 N ATOM 211 CA GLU A 15 0.530 -5.085 11.552 1.00 0.00 C ATOM 212 C GLU A 15 -0.902 -4.591 11.741 1.00 0.00 C ATOM 213 O GLU A 15 -1.254 -3.495 11.305 1.00 0.00 O ATOM 214 CB GLU A 15 0.636 -5.893 10.257 1.00 0.00 C ATOM 215 CG GLU A 15 -0.292 -7.096 10.211 1.00 0.00 C ATOM 216 CD GLU A 15 -1.528 -6.848 9.369 1.00 0.00 C ATOM 217 OE1 GLU A 15 -1.389 -6.274 8.269 1.00 0.00 O ATOM 218 OE2 GLU A 15 -2.633 -7.229 9.808 1.00 0.00 O ATOM 0 H GLU A 15 1.292 -6.826 12.444 1.00 0.00 H new ATOM 0 HA GLU A 15 1.187 -4.218 11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.413 -5.241 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.664 -6.233 10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.250 -7.953 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.594 -7.356 11.225 1.00 0.00 H new ATOM 225 N GLU A 16 -1.724 -5.407 12.394 1.00 0.00 N ATOM 226 CA GLU A 16 -3.117 -5.052 12.642 1.00 0.00 C ATOM 227 C GLU A 16 -3.219 -3.732 13.399 1.00 0.00 C ATOM 228 O GLU A 16 -4.143 -2.948 13.180 1.00 0.00 O ATOM 229 CB GLU A 16 -3.813 -6.161 13.432 1.00 0.00 C ATOM 230 CG GLU A 16 -3.167 -6.443 14.779 1.00 0.00 C ATOM 231 CD GLU A 16 -3.784 -7.636 15.484 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.427 -8.781 15.134 1.00 0.00 O ATOM 233 OE2 GLU A 16 -4.625 -7.425 16.383 1.00 0.00 O ATOM 0 H GLU A 16 -1.449 -6.318 12.761 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.612 -4.934 11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.856 -5.885 13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.811 -7.075 12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.101 -6.621 14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.261 -5.562 15.414 1.00 0.00 H new ATOM 240 N LYS A 17 -2.262 -3.491 14.288 1.00 0.00 N ATOM 241 CA LYS A 17 -2.241 -2.265 15.077 1.00 0.00 C ATOM 242 C LYS A 17 -1.475 -1.162 14.353 1.00 0.00 C ATOM 243 O LYS A 17 -1.748 0.023 14.541 1.00 0.00 O ATOM 244 CB LYS A 17 -1.614 -2.526 16.448 1.00 0.00 C ATOM 245 CG LYS A 17 -2.367 -1.875 17.597 1.00 0.00 C ATOM 246 CD LYS A 17 -3.182 -2.894 18.379 1.00 0.00 C ATOM 247 CE LYS A 17 -3.529 -2.381 19.767 1.00 0.00 C ATOM 248 NZ LYS A 17 -4.907 -1.821 19.825 1.00 0.00 N ATOM 0 H LYS A 17 -1.490 -4.129 14.480 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.270 -1.934 15.214 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.568 -3.602 16.618 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.587 -2.160 16.444 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.659 -1.384 18.265 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.028 -1.101 17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.098 -3.124 17.835 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.620 -3.824 18.463 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.437 -3.194 20.488 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.813 -1.613 20.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.104 -1.482 20.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.988 -1.029 19.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.593 -2.560 19.571 1.00 0.00 H new ATOM 262 N ALA A 18 -0.513 -1.560 13.527 1.00 0.00 N ATOM 263 CA ALA A 18 0.294 -0.604 12.778 1.00 0.00 C ATOM 264 C ALA A 18 -0.559 0.171 11.780 1.00 0.00 C ATOM 265 O ALA A 18 -0.542 1.402 11.759 1.00 0.00 O ATOM 266 CB ALA A 18 1.428 -1.320 12.060 1.00 0.00 C ATOM 0 H ALA A 18 -0.273 -2.537 13.360 1.00 0.00 H new ATOM 0 HA ALA A 18 0.718 0.109 13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.023 -0.595 11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.060 -1.824 12.791 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.015 -2.055 11.369 1.00 0.00 H new ATOM 272 N LYS A 19 -1.304 -0.556 10.953 1.00 0.00 N ATOM 273 CA LYS A 19 -2.164 0.066 9.951 1.00 0.00 C ATOM 274 C LYS A 19 -3.203 0.966 10.611 1.00 0.00 C ATOM 275 O LYS A 19 -3.522 2.040 10.099 1.00 0.00 O ATOM 276 CB LYS A 19 -2.860 -1.006 9.110 1.00 0.00 C ATOM 277 CG LYS A 19 -3.744 -1.939 9.922 1.00 0.00 C ATOM 278 CD LYS A 19 -3.818 -3.323 9.292 1.00 0.00 C ATOM 279 CE LYS A 19 -5.247 -3.839 9.247 1.00 0.00 C ATOM 280 NZ LYS A 19 -5.529 -4.580 7.987 1.00 0.00 N ATOM 0 H LYS A 19 -1.330 -1.576 10.957 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.539 0.679 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.466 -0.519 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.104 -1.596 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.355 -2.020 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.747 -1.518 9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.411 -3.286 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.198 -4.016 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.424 -4.493 10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.939 -3.002 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.513 -4.916 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.385 -3.949 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.886 -5.394 7.912 1.00 0.00 H new ATOM 294 N ALA A 20 -3.725 0.523 11.749 1.00 0.00 N ATOM 295 CA ALA A 20 -4.728 1.291 12.479 1.00 0.00 C ATOM 296 C ALA A 20 -4.149 2.609 12.981 1.00 0.00 C ATOM 297 O ALA A 20 -4.758 3.667 12.822 1.00 0.00 O ATOM 298 CB ALA A 20 -5.274 0.474 13.640 1.00 0.00 C ATOM 0 H ALA A 20 -3.471 -0.363 12.186 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.545 1.521 11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.021 1.059 14.176 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.732 -0.439 13.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.460 0.216 14.318 1.00 0.00 H new ATOM 304 N ASN A 21 -2.969 2.538 13.588 1.00 0.00 N ATOM 305 CA ASN A 21 -2.306 3.726 14.113 1.00 0.00 C ATOM 306 C ASN A 21 -1.999 4.717 12.994 1.00 0.00 C ATOM 307 O ASN A 21 -2.004 5.929 13.207 1.00 0.00 O ATOM 308 CB ASN A 21 -1.016 3.337 14.839 1.00 0.00 C ATOM 309 CG ASN A 21 -1.141 3.456 16.344 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.256 4.556 16.883 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.116 2.320 17.032 1.00 0.00 N ATOM 0 H ASN A 21 -2.452 1.670 13.729 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.981 4.206 14.822 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.751 2.312 14.579 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.202 3.974 14.493 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.194 2.338 18.049 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.019 1.430 16.543 1.00 0.00 H new ATOM 318 N LEU A 22 -1.733 4.192 11.803 1.00 0.00 N ATOM 319 CA LEU A 22 -1.423 5.031 10.649 1.00 0.00 C ATOM 320 C LEU A 22 -2.687 5.673 10.090 1.00 0.00 C ATOM 321 O LEU A 22 -2.786 6.898 10.002 1.00 0.00 O ATOM 322 CB LEU A 22 -0.732 4.204 9.563 1.00 0.00 C ATOM 323 CG LEU A 22 -0.423 4.962 8.271 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.579 6.076 8.531 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.104 4.009 7.207 1.00 0.00 C ATOM 0 H LEU A 22 -1.726 3.190 11.610 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.749 5.823 10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.200 3.809 9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.363 3.348 9.322 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.347 5.410 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.786 6.604 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.166 6.774 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.504 5.650 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.319 4.565 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.017 3.533 7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.646 3.246 6.999 1.00 0.00 H new ATOM 337 N GLU A 23 -3.654 4.842 9.714 1.00 0.00 N ATOM 338 CA GLU A 23 -4.915 5.328 9.160 1.00 0.00 C ATOM 339 C GLU A 23 -5.533 6.398 10.056 1.00 0.00 C ATOM 340 O GLU A 23 -6.245 7.282 9.583 1.00 0.00 O ATOM 341 CB GLU A 23 -5.897 4.168 8.979 1.00 0.00 C ATOM 342 CG GLU A 23 -5.894 3.582 7.576 1.00 0.00 C ATOM 343 CD GLU A 23 -7.263 3.621 6.925 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.247 3.233 7.588 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.351 4.042 5.753 1.00 0.00 O ATOM 0 H GLU A 23 -3.589 3.826 9.783 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.705 5.774 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.653 3.381 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.903 4.514 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.186 4.133 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.545 2.550 7.618 1.00 0.00 H new ATOM 352 N LYS A 24 -5.253 6.311 11.353 1.00 0.00 N ATOM 353 CA LYS A 24 -5.781 7.274 12.312 1.00 0.00 C ATOM 354 C LYS A 24 -5.084 8.621 12.167 1.00 0.00 C ATOM 355 O LYS A 24 -5.725 9.671 12.221 1.00 0.00 O ATOM 356 CB LYS A 24 -5.609 6.749 13.739 1.00 0.00 C ATOM 357 CG LYS A 24 -6.602 7.340 14.727 1.00 0.00 C ATOM 358 CD LYS A 24 -5.932 7.703 16.042 1.00 0.00 C ATOM 359 CE LYS A 24 -6.051 6.579 17.059 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.467 6.332 17.448 1.00 0.00 N ATOM 0 H LYS A 24 -4.665 5.585 11.763 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.843 7.410 12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.716 5.664 13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.597 6.968 14.079 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.062 8.229 14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.403 6.624 14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.880 7.925 15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.386 8.609 16.445 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.624 5.666 16.643 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.469 6.828 17.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.498 5.916 18.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.990 7.231 17.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.904 5.676 16.770 1.00 0.00 H new ATOM 374 N ARG A 25 -3.768 8.586 11.979 1.00 0.00 N ATOM 375 CA ARG A 25 -2.986 9.807 11.824 1.00 0.00 C ATOM 376 C ARG A 25 -3.289 10.479 10.489 1.00 0.00 C ATOM 377 O ARG A 25 -3.346 11.705 10.398 1.00 0.00 O ATOM 378 CB ARG A 25 -1.491 9.496 11.928 1.00 0.00 C ATOM 379 CG ARG A 25 -0.868 9.943 13.241 1.00 0.00 C ATOM 380 CD ARG A 25 -0.547 8.758 14.140 1.00 0.00 C ATOM 381 NE ARG A 25 0.639 8.999 14.958 1.00 0.00 N ATOM 382 CZ ARG A 25 0.637 9.734 16.068 1.00 0.00 C ATOM 383 NH1 ARG A 25 -0.485 10.299 16.496 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.759 9.903 16.752 1.00 0.00 N ATOM 0 H ARG A 25 -3.222 7.726 11.930 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.262 10.492 12.625 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.342 8.422 11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.969 9.981 11.103 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.044 10.505 13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.551 10.618 13.757 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.399 8.553 14.788 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.391 7.870 13.528 1.00 0.00 H new ATOM 0 HE ARG A 25 1.520 8.580 14.661 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.352 10.171 15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.481 10.861 17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.624 9.470 16.428 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.758 10.466 17.602 1.00 0.00 H new ATOM 398 N ILE A 26 -3.483 9.668 9.454 1.00 0.00 N ATOM 399 CA ILE A 26 -3.781 10.184 8.124 1.00 0.00 C ATOM 400 C ILE A 26 -5.201 10.736 8.055 1.00 0.00 C ATOM 401 O ILE A 26 -5.480 11.665 7.298 1.00 0.00 O ATOM 402 CB ILE A 26 -3.608 9.095 7.047 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.244 8.418 7.187 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.768 9.692 5.655 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.076 9.365 7.010 1.00 0.00 C ATOM 0 H ILE A 26 -3.439 8.651 9.511 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.073 10.989 7.930 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.383 8.342 7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.178 7.953 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.167 7.618 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.643 8.909 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.761 10.130 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.014 10.464 5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.142 8.815 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.117 9.811 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.128 10.151 7.763 1.00 0.00 H new ATOM 417 N LYS A 27 -6.095 10.158 8.851 1.00 0.00 N ATOM 418 CA LYS A 27 -7.487 10.594 8.879 1.00 0.00 C ATOM 419 C LYS A 27 -7.693 11.693 9.915 1.00 0.00 C ATOM 420 O LYS A 27 -8.511 12.593 9.727 1.00 0.00 O ATOM 421 CB LYS A 27 -8.409 9.411 9.183 1.00 0.00 C ATOM 422 CG LYS A 27 -9.799 9.557 8.587 1.00 0.00 C ATOM 423 CD LYS A 27 -10.350 8.218 8.125 1.00 0.00 C ATOM 424 CE LYS A 27 -11.779 8.347 7.622 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.770 8.235 8.729 1.00 0.00 N ATOM 0 H LYS A 27 -5.881 9.388 9.484 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.735 10.995 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.953 8.498 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.496 9.297 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.470 9.992 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.764 10.248 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.719 7.818 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.316 7.506 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.902 9.307 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.974 7.572 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.732 8.328 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.670 7.309 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.601 8.990 9.424 1.00 0.00 H new ATOM 439 N ALA A 28 -6.945 11.615 11.010 1.00 0.00 N ATOM 440 CA ALA A 28 -7.045 12.604 12.076 1.00 0.00 C ATOM 441 C ALA A 28 -6.419 13.928 11.653 1.00 0.00 C ATOM 442 O ALA A 28 -6.947 15.000 11.953 1.00 0.00 O ATOM 443 CB ALA A 28 -6.381 12.084 13.342 1.00 0.00 C ATOM 0 H ALA A 28 -6.263 10.877 11.182 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.101 12.779 12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.463 12.833 14.130 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.875 11.166 13.661 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.329 11.880 13.144 1.00 0.00 H new ATOM 449 N PHE A 29 -5.292 13.848 10.956 1.00 0.00 N ATOM 450 CA PHE A 29 -4.593 15.039 10.489 1.00 0.00 C ATOM 451 C PHE A 29 -5.167 15.524 9.163 1.00 0.00 C ATOM 452 O PHE A 29 -5.092 16.709 8.840 1.00 0.00 O ATOM 453 CB PHE A 29 -3.099 14.750 10.337 1.00 0.00 C ATOM 454 CG PHE A 29 -2.379 14.608 11.648 1.00 0.00 C ATOM 455 CD1 PHE A 29 -2.525 15.562 12.641 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.556 13.519 11.887 1.00 0.00 C ATOM 457 CE1 PHE A 29 -1.865 15.435 13.847 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.893 13.385 13.092 1.00 0.00 C ATOM 459 CZ PHE A 29 -1.047 14.344 14.073 1.00 0.00 C ATOM 0 H PHE A 29 -4.842 12.969 10.701 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.731 15.825 11.231 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.971 13.834 9.760 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.638 15.554 9.764 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.163 16.416 12.470 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.431 12.766 11.123 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.988 16.187 14.613 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.255 12.531 13.266 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.529 14.242 15.015 1.00 0.00 H new ATOM 469 N GLY A 30 -5.740 14.600 8.396 1.00 0.00 N ATOM 470 CA GLY A 30 -6.318 14.957 7.114 1.00 0.00 C ATOM 471 C GLY A 30 -5.319 14.849 5.978 1.00 0.00 C ATOM 472 O GLY A 30 -5.199 15.760 5.159 1.00 0.00 O ATOM 0 H GLY A 30 -5.814 13.612 8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.169 14.307 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.700 15.977 7.162 1.00 0.00 H new ATOM 476 N LEU A 31 -4.600 13.732 5.930 1.00 0.00 N ATOM 477 CA LEU A 31 -3.605 13.509 4.887 1.00 0.00 C ATOM 478 C LEU A 31 -4.162 12.610 3.787 1.00 0.00 C ATOM 479 O LEU A 31 -3.465 11.734 3.274 1.00 0.00 O ATOM 480 CB LEU A 31 -2.344 12.882 5.486 1.00 0.00 C ATOM 481 CG LEU A 31 -1.696 13.687 6.615 1.00 0.00 C ATOM 482 CD1 LEU A 31 -1.147 12.756 7.686 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.596 14.583 6.068 1.00 0.00 C ATOM 0 H LEU A 31 -4.688 12.968 6.600 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.351 14.473 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.594 11.890 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.611 12.745 4.691 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.458 14.320 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.690 13.345 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.959 12.158 8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.398 12.097 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.147 15.148 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.167 13.970 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.019 15.274 5.339 1.00 0.00 H new ATOM 495 N GLN A 32 -5.423 12.833 3.430 1.00 0.00 N ATOM 496 CA GLN A 32 -6.074 12.045 2.389 1.00 0.00 C ATOM 497 C GLN A 32 -5.591 12.452 0.997 1.00 0.00 C ATOM 498 O GLN A 32 -5.942 11.817 0.002 1.00 0.00 O ATOM 499 CB GLN A 32 -7.593 12.202 2.481 1.00 0.00 C ATOM 500 CG GLN A 32 -8.277 11.069 3.229 1.00 0.00 C ATOM 501 CD GLN A 32 -8.717 9.946 2.309 1.00 0.00 C ATOM 502 OE1 GLN A 32 -8.238 9.829 1.181 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.631 9.111 2.790 1.00 0.00 N ATOM 0 H GLN A 32 -6.014 13.553 3.846 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.809 11.000 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.823 13.145 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.005 12.263 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.596 10.672 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -9.145 11.460 3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.000 9.246 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.963 8.334 2.218 1.00 0.00 H new ATOM 512 N ASP A 33 -4.786 13.510 0.930 1.00 0.00 N ATOM 513 CA ASP A 33 -4.262 13.991 -0.343 1.00 0.00 C ATOM 514 C ASP A 33 -3.074 13.148 -0.799 1.00 0.00 C ATOM 515 O ASP A 33 -2.791 13.051 -1.993 1.00 0.00 O ATOM 516 CB ASP A 33 -3.849 15.459 -0.226 1.00 0.00 C ATOM 517 CG ASP A 33 -4.871 16.396 -0.838 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.068 16.037 -0.858 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.476 17.488 -1.299 1.00 0.00 O ATOM 0 H ASP A 33 -4.484 14.049 1.742 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.052 13.902 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.711 15.712 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.887 15.604 -0.718 1.00 0.00 H new ATOM 524 N LYS A 34 -2.381 12.539 0.159 1.00 0.00 N ATOM 525 CA LYS A 34 -1.224 11.705 -0.150 1.00 0.00 C ATOM 526 C LYS A 34 -1.626 10.236 -0.239 1.00 0.00 C ATOM 527 O LYS A 34 -1.386 9.576 -1.250 1.00 0.00 O ATOM 528 CB LYS A 34 -0.139 11.889 0.911 1.00 0.00 C ATOM 529 CG LYS A 34 0.259 13.338 1.130 1.00 0.00 C ATOM 530 CD LYS A 34 -0.645 14.017 2.146 1.00 0.00 C ATOM 531 CE LYS A 34 -0.035 15.313 2.659 1.00 0.00 C ATOM 532 NZ LYS A 34 -0.611 16.504 1.978 1.00 0.00 N ATOM 0 H LYS A 34 -2.600 12.607 1.153 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.828 12.014 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.491 11.471 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.743 11.319 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.293 13.385 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.213 13.876 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.613 14.225 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.824 13.342 2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.202 15.393 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.044 15.293 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.170 17.367 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.430 16.441 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.637 16.538 2.146 1.00 0.00 H new ATOM 546 N ILE A 35 -2.244 9.732 0.826 1.00 0.00 N ATOM 547 CA ILE A 35 -2.684 8.342 0.868 1.00 0.00 C ATOM 548 C ILE A 35 -4.089 8.201 0.293 1.00 0.00 C ATOM 549 O ILE A 35 -5.028 8.845 0.759 1.00 0.00 O ATOM 550 CB ILE A 35 -2.673 7.787 2.307 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.418 8.248 3.053 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.756 6.267 2.289 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.129 7.876 2.354 1.00 0.00 C ATOM 0 H ILE A 35 -2.451 10.266 1.670 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.982 7.768 0.264 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.545 8.175 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.456 9.330 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.419 7.813 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.747 5.890 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.678 5.959 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.902 5.862 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.718 8.234 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.069 6.792 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.106 8.333 1.365 1.00 0.00 H new ATOM 565 N PHE A 36 -4.227 7.357 -0.727 1.00 0.00 N ATOM 566 CA PHE A 36 -5.523 7.143 -1.364 1.00 0.00 C ATOM 567 C PHE A 36 -6.037 5.730 -1.111 1.00 0.00 C ATOM 568 O PHE A 36 -7.156 5.546 -0.633 1.00 0.00 O ATOM 569 CB PHE A 36 -5.429 7.391 -2.872 1.00 0.00 C ATOM 570 CG PHE A 36 -4.567 8.563 -3.241 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.942 9.852 -2.901 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.380 8.374 -3.930 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.149 10.931 -3.242 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.584 9.447 -4.273 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.968 10.729 -3.929 1.00 0.00 C ATOM 0 H PHE A 36 -3.462 6.814 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.225 7.852 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.035 6.496 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.432 7.551 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.864 10.016 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.074 7.374 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.452 11.932 -2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.661 9.285 -4.810 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.346 11.571 -4.197 1.00 0.00 H new ATOM 585 N GLN A 37 -5.222 4.735 -1.446 1.00 0.00 N ATOM 586 CA GLN A 37 -5.618 3.341 -1.265 1.00 0.00 C ATOM 587 C GLN A 37 -4.802 2.658 -0.170 1.00 0.00 C ATOM 588 O GLN A 37 -3.686 3.071 0.143 1.00 0.00 O ATOM 589 CB GLN A 37 -5.464 2.570 -2.576 1.00 0.00 C ATOM 590 CG GLN A 37 -5.997 3.315 -3.789 1.00 0.00 C ATOM 591 CD GLN A 37 -7.120 2.570 -4.484 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.260 2.567 -4.019 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.802 1.934 -5.607 1.00 0.00 N ATOM 0 H GLN A 37 -4.291 4.865 -1.841 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.664 3.338 -0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.409 2.345 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.984 1.616 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.355 4.297 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.184 3.480 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.844 1.963 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.516 1.417 -6.120 1.00 0.00 H new ATOM 602 N VAL A 38 -5.377 1.602 0.397 1.00 0.00 N ATOM 603 CA VAL A 38 -4.728 0.831 1.451 1.00 0.00 C ATOM 604 C VAL A 38 -5.301 -0.583 1.496 1.00 0.00 C ATOM 605 O VAL A 38 -6.105 -0.912 2.369 1.00 0.00 O ATOM 606 CB VAL A 38 -4.903 1.494 2.831 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.107 0.744 3.890 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.488 2.957 2.780 1.00 0.00 C ATOM 0 H VAL A 38 -6.302 1.258 0.140 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.663 0.794 1.220 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.958 1.449 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.243 1.227 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.457 -0.287 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.050 0.754 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.619 3.407 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.441 3.028 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.106 3.485 2.054 1.00 0.00 H new ATOM 618 N LEU A 39 -4.896 -1.408 0.536 1.00 0.00 N ATOM 619 CA LEU A 39 -5.382 -2.780 0.448 1.00 0.00 C ATOM 620 C LEU A 39 -4.486 -3.746 1.215 1.00 0.00 C ATOM 621 O LEU A 39 -3.375 -3.396 1.622 1.00 0.00 O ATOM 622 CB LEU A 39 -5.470 -3.212 -1.017 1.00 0.00 C ATOM 623 CG LEU A 39 -6.724 -2.744 -1.759 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.972 -3.336 -1.124 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.799 -1.224 -1.771 1.00 0.00 C ATOM 0 H LEU A 39 -4.231 -1.150 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.373 -2.809 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.593 -2.835 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.425 -4.300 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.665 -3.094 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.854 -2.992 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.921 -4.424 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.037 -3.017 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.697 -0.908 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.835 -0.853 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.919 -0.820 -2.272 1.00 0.00 H new ATOM 637 N ILE A 40 -4.977 -4.968 1.399 1.00 0.00 N ATOM 638 CA ILE A 40 -4.229 -6.000 2.107 1.00 0.00 C ATOM 639 C ILE A 40 -4.051 -7.240 1.230 1.00 0.00 C ATOM 640 O ILE A 40 -4.970 -7.640 0.515 1.00 0.00 O ATOM 641 CB ILE A 40 -4.921 -6.406 3.425 1.00 0.00 C ATOM 642 CG1 ILE A 40 -6.321 -6.970 3.154 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.990 -5.217 4.374 1.00 0.00 C ATOM 644 CD1 ILE A 40 -7.356 -5.915 2.819 1.00 0.00 C ATOM 0 H ILE A 40 -5.893 -5.268 1.066 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.253 -5.577 2.344 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.330 -7.190 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.262 -7.681 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.654 -7.525 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.481 -5.518 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.981 -4.869 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.558 -4.412 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.319 -6.394 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.446 -5.217 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.048 -5.375 1.924 1.00 0.00 H new ATOM 656 N PRO A 41 -2.859 -7.858 1.265 1.00 0.00 N ATOM 657 CA PRO A 41 -2.559 -9.049 0.461 1.00 0.00 C ATOM 658 C PRO A 41 -3.169 -10.327 1.029 1.00 0.00 C ATOM 659 O PRO A 41 -2.515 -11.055 1.775 1.00 0.00 O ATOM 660 CB PRO A 41 -1.037 -9.125 0.523 1.00 0.00 C ATOM 661 CG PRO A 41 -0.681 -8.513 1.832 1.00 0.00 C ATOM 662 CD PRO A 41 -1.701 -7.436 2.081 1.00 0.00 C ATOM 0 HA PRO A 41 -2.971 -8.969 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.689 -10.156 0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.579 -8.583 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.699 -9.258 2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.326 -8.097 1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.960 -7.365 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.332 -6.456 1.777 1.00 0.00 H new ATOM 670 N THR A 42 -4.420 -10.598 0.664 1.00 0.00 N ATOM 671 CA THR A 42 -5.114 -11.795 1.135 1.00 0.00 C ATOM 672 C THR A 42 -5.911 -12.449 0.008 1.00 0.00 C ATOM 673 O THR A 42 -6.688 -11.788 -0.677 1.00 0.00 O ATOM 674 CB THR A 42 -6.049 -11.441 2.292 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.866 -10.335 1.956 1.00 0.00 O ATOM 676 CG2 THR A 42 -5.314 -11.100 3.570 1.00 0.00 C ATOM 0 H THR A 42 -4.974 -10.006 0.045 1.00 0.00 H new ATOM 0 HA THR A 42 -4.363 -12.505 1.481 1.00 0.00 H new ATOM 0 HB THR A 42 -6.649 -12.335 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.135 -10.400 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.035 -10.858 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.713 -11.954 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.664 -10.242 3.398 1.00 0.00 H new ATOM 948 N LYS A 59 -6.619 -15.583 3.134 1.00 0.00 N ATOM 949 CA LYS A 59 -5.367 -16.281 2.866 1.00 0.00 C ATOM 950 C LYS A 59 -4.272 -15.285 2.501 1.00 0.00 C ATOM 951 O LYS A 59 -4.000 -15.049 1.324 1.00 0.00 O ATOM 952 CB LYS A 59 -5.557 -17.294 1.735 1.00 0.00 C ATOM 953 CG LYS A 59 -4.285 -18.042 1.363 1.00 0.00 C ATOM 954 CD LYS A 59 -4.291 -19.461 1.912 1.00 0.00 C ATOM 955 CE LYS A 59 -3.450 -19.573 3.173 1.00 0.00 C ATOM 956 NZ LYS A 59 -4.057 -20.503 4.165 1.00 0.00 N ATOM 0 HA LYS A 59 -5.067 -16.814 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.319 -18.015 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.933 -16.775 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.183 -18.071 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.419 -17.505 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.315 -19.764 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.908 -20.147 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.451 -19.922 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.337 -18.586 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.453 -20.551 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.001 -20.157 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.142 -21.451 3.746 1.00 0.00 H new ATOM 970 N LYS A 60 -3.655 -14.696 3.519 1.00 0.00 N ATOM 971 CA LYS A 60 -2.596 -13.712 3.315 1.00 0.00 C ATOM 972 C LYS A 60 -1.551 -14.206 2.316 1.00 0.00 C ATOM 973 O LYS A 60 -0.759 -15.098 2.619 1.00 0.00 O ATOM 974 CB LYS A 60 -1.925 -13.374 4.646 1.00 0.00 C ATOM 975 CG LYS A 60 -2.686 -12.347 5.467 1.00 0.00 C ATOM 976 CD LYS A 60 -1.828 -11.779 6.587 1.00 0.00 C ATOM 977 CE LYS A 60 -2.506 -10.602 7.268 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.521 -9.686 7.905 1.00 0.00 N ATOM 0 H LYS A 60 -3.870 -14.883 4.498 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.056 -12.814 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.817 -14.287 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.920 -12.999 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.021 -11.538 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.579 -12.807 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.625 -12.558 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.866 -11.462 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.095 -10.049 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.200 -10.970 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.825 -9.470 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.587 -10.143 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.462 -8.804 7.357 1.00 0.00 H new ATOM 992 N LEU A 61 -1.548 -13.607 1.127 1.00 0.00 N ATOM 993 CA LEU A 61 -0.593 -13.973 0.087 1.00 0.00 C ATOM 994 C LEU A 61 0.758 -13.321 0.351 1.00 0.00 C ATOM 995 O LEU A 61 1.805 -13.877 0.021 1.00 0.00 O ATOM 996 CB LEU A 61 -1.111 -13.546 -1.288 1.00 0.00 C ATOM 997 CG LEU A 61 -2.258 -14.387 -1.839 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.857 -13.729 -3.073 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.780 -15.794 -2.162 1.00 0.00 C ATOM 0 H LEU A 61 -2.197 -12.866 0.861 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.473 -15.056 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.438 -12.508 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.284 -13.580 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.033 -14.455 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.674 -14.343 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.237 -12.742 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.090 -13.630 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.612 -16.380 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.986 -15.746 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.399 -16.266 -1.256 1.00 0.00 H new ATOM 1011 N PHE A 62 0.722 -12.136 0.951 1.00 0.00 N ATOM 1012 CA PHE A 62 1.938 -11.402 1.268 1.00 0.00 C ATOM 1013 C PHE A 62 1.900 -10.905 2.713 1.00 0.00 C ATOM 1014 O PHE A 62 1.776 -9.707 2.966 1.00 0.00 O ATOM 1015 CB PHE A 62 2.118 -10.221 0.308 1.00 0.00 C ATOM 1016 CG PHE A 62 2.010 -10.593 -1.145 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.771 -10.773 -1.743 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.149 -10.759 -1.918 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.671 -11.106 -3.079 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.053 -11.095 -3.256 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.812 -11.269 -3.837 1.00 0.00 C ATOM 0 H PHE A 62 -0.139 -11.664 1.227 1.00 0.00 H new ATOM 0 HA PHE A 62 2.786 -12.077 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.368 -9.463 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.093 -9.767 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.127 -10.651 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.122 -10.624 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.301 -11.239 -3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.948 -11.221 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.735 -11.532 -4.882 1.00 0.00 H new ATOM 1031 N PRO A 63 1.995 -11.829 3.685 1.00 0.00 N ATOM 1032 CA PRO A 63 1.963 -11.485 5.111 1.00 0.00 C ATOM 1033 C PRO A 63 3.003 -10.433 5.484 1.00 0.00 C ATOM 1034 O PRO A 63 4.162 -10.519 5.080 1.00 0.00 O ATOM 1035 CB PRO A 63 2.277 -12.813 5.808 1.00 0.00 C ATOM 1036 CG PRO A 63 1.869 -13.860 4.830 1.00 0.00 C ATOM 1037 CD PRO A 63 2.135 -13.281 3.469 1.00 0.00 C ATOM 0 HA PRO A 63 1.005 -11.051 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.336 -12.891 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.726 -12.909 6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.437 -14.778 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.815 -14.114 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.131 -13.540 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.423 -13.648 2.729 1.00 0.00 H new ATOM 1045 N GLY A 64 2.579 -9.443 6.263 1.00 0.00 N ATOM 1046 CA GLY A 64 3.484 -8.390 6.686 1.00 0.00 C ATOM 1047 C GLY A 64 3.677 -7.313 5.633 1.00 0.00 C ATOM 1048 O GLY A 64 4.385 -6.333 5.866 1.00 0.00 O ATOM 0 H GLY A 64 1.624 -9.351 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.100 -7.933 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.452 -8.827 6.932 1.00 0.00 H new ATOM 1052 N TYR A 65 3.052 -7.488 4.471 1.00 0.00 N ATOM 1053 CA TYR A 65 3.170 -6.516 3.390 1.00 0.00 C ATOM 1054 C TYR A 65 1.887 -5.706 3.243 1.00 0.00 C ATOM 1055 O TYR A 65 0.854 -6.229 2.824 1.00 0.00 O ATOM 1056 CB TYR A 65 3.495 -7.219 2.071 1.00 0.00 C ATOM 1057 CG TYR A 65 4.940 -7.646 1.941 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.605 -8.262 2.995 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.641 -7.437 0.759 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.924 -8.654 2.875 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.960 -7.827 0.632 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.597 -8.436 1.693 1.00 0.00 C ATOM 1063 OH TYR A 65 8.911 -8.826 1.571 1.00 0.00 O ATOM 0 H TYR A 65 2.461 -8.291 4.255 1.00 0.00 H new ATOM 0 HA TYR A 65 3.983 -5.835 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.857 -8.097 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.248 -6.552 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.081 -8.437 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.146 -6.961 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.426 -9.130 3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.490 -7.656 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 65 9.482 -8.033 1.497 1.00 0.00 H new ATOM 1073 N LEU A 66 1.960 -4.426 3.585 1.00 0.00 N ATOM 1074 CA LEU A 66 0.805 -3.542 3.485 1.00 0.00 C ATOM 1075 C LEU A 66 0.902 -2.676 2.232 1.00 0.00 C ATOM 1076 O LEU A 66 1.875 -1.945 2.050 1.00 0.00 O ATOM 1077 CB LEU A 66 0.702 -2.657 4.730 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.486 -2.960 5.644 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -0.172 -4.138 6.555 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.853 -1.733 6.464 1.00 0.00 C ATOM 0 H LEU A 66 2.806 -3.977 3.934 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.093 -4.156 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.621 -2.761 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.640 -1.616 4.413 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.341 -3.226 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.029 -4.339 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.042 -5.019 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.696 -3.901 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.700 -1.966 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.002 -1.437 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.121 -0.915 5.795 1.00 0.00 H new ATOM 1092 N PHE A 67 -0.105 -2.766 1.370 1.00 0.00 N ATOM 1093 CA PHE A 67 -0.120 -1.992 0.134 1.00 0.00 C ATOM 1094 C PHE A 67 -0.788 -0.638 0.344 1.00 0.00 C ATOM 1095 O PHE A 67 -1.961 -0.563 0.712 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.841 -2.766 -0.971 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.333 -4.169 -1.153 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.022 -4.450 -1.062 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -1.212 -5.205 -1.415 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.488 -5.739 -1.231 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.751 -6.496 -1.584 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.601 -6.765 -1.492 1.00 0.00 C ATOM 0 H PHE A 67 -0.919 -3.365 1.504 1.00 0.00 H new ATOM 0 HA PHE A 67 0.913 -1.821 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.906 -2.801 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.734 -2.225 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.720 -3.652 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.270 -5.002 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.546 -5.945 -1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.448 -7.296 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.963 -7.774 -1.624 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.034 0.431 0.105 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.551 1.783 0.267 1.00 0.00 C ATOM 1114 C ILE A 68 -0.314 2.615 -0.988 1.00 0.00 C ATOM 1115 O ILE A 68 0.812 3.023 -1.270 1.00 0.00 O ATOM 1116 CB ILE A 68 0.105 2.500 1.467 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.257 1.544 2.654 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.715 3.721 1.863 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.698 1.218 2.980 1.00 0.00 C ATOM 0 H ILE A 68 0.938 0.385 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.622 1.689 0.447 1.00 0.00 H new ATOM 0 HB ILE A 68 1.100 2.830 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.215 1.987 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.277 0.619 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.242 4.218 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.769 4.412 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.722 3.409 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.734 0.537 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.169 0.747 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.232 2.136 3.228 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.383 2.871 -1.737 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.283 3.664 -2.956 1.00 0.00 C ATOM 1133 C GLN A 69 -1.238 5.149 -2.622 1.00 0.00 C ATOM 1134 O GLN A 69 -2.211 5.874 -2.831 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.462 3.369 -3.886 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.168 3.659 -5.349 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.408 4.052 -6.127 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.126 4.978 -5.749 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -3.668 3.347 -7.222 1.00 0.00 N ATOM 0 H GLN A 69 -2.324 2.542 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.359 3.392 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.744 2.321 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.320 3.963 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.433 4.461 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.721 2.777 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.046 2.587 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.490 3.565 -7.786 1.00 0.00 H new ATOM 1148 N MET A 70 -0.100 5.591 -2.091 1.00 0.00 N ATOM 1149 CA MET A 70 0.082 6.991 -1.718 1.00 0.00 C ATOM 1150 C MET A 70 0.674 7.796 -2.870 1.00 0.00 C ATOM 1151 O MET A 70 0.855 7.281 -3.973 1.00 0.00 O ATOM 1152 CB MET A 70 0.980 7.102 -0.482 1.00 0.00 C ATOM 1153 CG MET A 70 2.379 6.549 -0.687 1.00 0.00 C ATOM 1154 SD MET A 70 3.076 5.851 0.822 1.00 0.00 S ATOM 1155 CE MET A 70 4.726 6.545 0.787 1.00 0.00 C ATOM 0 H MET A 70 0.710 4.999 -1.909 1.00 0.00 H new ATOM 0 HA MET A 70 -0.899 7.405 -1.483 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.053 8.150 -0.191 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.509 6.573 0.346 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.352 5.781 -1.460 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.030 7.344 -1.050 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.446 5.787 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.960 6.877 -0.225 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.778 7.394 1.468 1.00 0.00 H new ATOM 1165 N ASP A 71 0.980 9.062 -2.602 1.00 0.00 N ATOM 1166 CA ASP A 71 1.560 9.943 -3.610 1.00 0.00 C ATOM 1167 C ASP A 71 2.785 10.666 -3.060 1.00 0.00 C ATOM 1168 O ASP A 71 2.668 11.535 -2.195 1.00 0.00 O ATOM 1169 CB ASP A 71 0.523 10.963 -4.083 1.00 0.00 C ATOM 1170 CG ASP A 71 0.585 11.202 -5.579 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.612 10.846 -6.195 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.392 11.746 -6.136 1.00 0.00 O ATOM 0 H ASP A 71 0.835 9.501 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 71 1.871 9.331 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.474 10.614 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.681 11.906 -3.561 1.00 0.00 H new ATOM 1177 N LEU A 72 3.959 10.303 -3.566 1.00 0.00 N ATOM 1178 CA LEU A 72 5.204 10.919 -3.122 1.00 0.00 C ATOM 1179 C LEU A 72 5.729 11.899 -4.165 1.00 0.00 C ATOM 1180 O LEU A 72 6.318 12.926 -3.826 1.00 0.00 O ATOM 1181 CB LEU A 72 6.257 9.846 -2.838 1.00 0.00 C ATOM 1182 CG LEU A 72 6.008 9.007 -1.582 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.176 8.064 -1.329 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.779 9.908 -0.377 1.00 0.00 C ATOM 0 H LEU A 72 4.074 9.586 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 72 4.999 11.469 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.313 9.178 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.230 10.329 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 72 5.111 8.408 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.981 7.476 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.296 7.396 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.089 8.644 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.604 9.295 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.658 10.532 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.911 10.542 -0.557 1.00 0.00 H new ATOM 1245 N GLU A 77 12.904 15.103 -2.018 1.00 0.00 N ATOM 1246 CA GLU A 77 12.258 15.607 -0.810 1.00 0.00 C ATOM 1247 C GLU A 77 10.819 15.105 -0.710 1.00 0.00 C ATOM 1248 O GLU A 77 9.901 15.715 -1.258 1.00 0.00 O ATOM 1249 CB GLU A 77 12.278 17.136 -0.797 1.00 0.00 C ATOM 1250 CG GLU A 77 11.687 17.764 -2.049 1.00 0.00 C ATOM 1251 CD GLU A 77 12.742 18.369 -2.953 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.926 17.990 -2.821 1.00 0.00 O ATOM 1253 OE2 GLU A 77 12.387 19.222 -3.794 1.00 0.00 O ATOM 0 HA GLU A 77 12.814 15.235 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.725 17.491 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.307 17.476 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.131 17.007 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.974 18.537 -1.761 1.00 0.00 H new ATOM 1260 N PRO A 78 10.602 13.981 -0.006 1.00 0.00 N ATOM 1261 CA PRO A 78 9.265 13.401 0.163 1.00 0.00 C ATOM 1262 C PRO A 78 8.274 14.398 0.754 1.00 0.00 C ATOM 1263 O PRO A 78 8.664 15.450 1.261 1.00 0.00 O ATOM 1264 CB PRO A 78 9.497 12.239 1.135 1.00 0.00 C ATOM 1265 CG PRO A 78 10.939 11.896 0.986 1.00 0.00 C ATOM 1266 CD PRO A 78 11.639 13.190 0.681 1.00 0.00 C ATOM 0 HA PRO A 78 8.831 13.095 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.264 12.529 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.861 11.388 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.330 11.446 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.088 11.173 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.986 13.683 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.513 13.036 0.048 1.00 0.00 H new ATOM 1274 N ASN A 79 6.991 14.061 0.684 1.00 0.00 N ATOM 1275 CA ASN A 79 5.944 14.927 1.211 1.00 0.00 C ATOM 1276 C ASN A 79 5.764 14.714 2.711 1.00 0.00 C ATOM 1277 O ASN A 79 6.366 13.813 3.296 1.00 0.00 O ATOM 1278 CB ASN A 79 4.622 14.667 0.486 1.00 0.00 C ATOM 1279 CG ASN A 79 3.739 15.898 0.435 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.218 17.025 0.561 1.00 0.00 O ATOM 1281 ND2 ASN A 79 2.441 15.688 0.248 1.00 0.00 N ATOM 0 H ASN A 79 6.651 13.194 0.267 1.00 0.00 H new ATOM 0 HA ASN A 79 6.246 15.961 1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.828 14.329 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.088 13.861 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.798 16.478 0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.087 14.736 0.148 1.00 0.00 H new ATOM 1288 N GLU A 80 4.933 15.547 3.326 1.00 0.00 N ATOM 1289 CA GLU A 80 4.673 15.450 4.758 1.00 0.00 C ATOM 1290 C GLU A 80 4.103 14.081 5.120 1.00 0.00 C ATOM 1291 O GLU A 80 4.243 13.620 6.253 1.00 0.00 O ATOM 1292 CB GLU A 80 3.703 16.550 5.196 1.00 0.00 C ATOM 1293 CG GLU A 80 2.341 16.462 4.527 1.00 0.00 C ATOM 1294 CD GLU A 80 1.493 17.695 4.769 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.835 18.768 4.227 1.00 0.00 O ATOM 1296 OE2 GLU A 80 0.487 17.589 5.502 1.00 0.00 O ATOM 0 H GLU A 80 4.427 16.298 2.856 1.00 0.00 H new ATOM 0 HA GLU A 80 5.620 15.578 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.572 16.498 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.145 17.522 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.475 16.323 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.813 15.584 4.899 1.00 0.00 H new ATOM 1303 N ALA A 81 3.459 13.435 4.151 1.00 0.00 N ATOM 1304 CA ALA A 81 2.868 12.119 4.369 1.00 0.00 C ATOM 1305 C ALA A 81 3.905 11.127 4.885 1.00 0.00 C ATOM 1306 O ALA A 81 3.632 10.343 5.794 1.00 0.00 O ATOM 1307 CB ALA A 81 2.239 11.606 3.083 1.00 0.00 C ATOM 0 H ALA A 81 3.334 13.802 3.208 1.00 0.00 H new ATOM 0 HA ALA A 81 2.092 12.218 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.801 10.623 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.461 12.297 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.003 11.530 2.309 1.00 0.00 H new ATOM 1313 N TRP A 82 5.098 11.165 4.299 1.00 0.00 N ATOM 1314 CA TRP A 82 6.176 10.269 4.699 1.00 0.00 C ATOM 1315 C TRP A 82 6.595 10.533 6.143 1.00 0.00 C ATOM 1316 O TRP A 82 6.795 9.600 6.921 1.00 0.00 O ATOM 1317 CB TRP A 82 7.378 10.436 3.769 1.00 0.00 C ATOM 1318 CG TRP A 82 8.343 9.292 3.838 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.688 9.367 4.062 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.039 7.901 3.679 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.238 8.107 4.054 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.246 7.190 3.821 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.863 7.189 3.433 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.309 5.803 3.724 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.926 5.810 3.337 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.142 5.131 3.482 1.00 0.00 C ATOM 0 H TRP A 82 5.342 11.807 3.545 1.00 0.00 H new ATOM 0 HA TRP A 82 5.809 9.245 4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.024 10.542 2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.900 11.359 4.023 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.239 10.282 4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.224 7.890 4.198 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.921 7.705 3.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.245 5.276 3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.023 5.249 3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.159 4.054 3.401 1.00 0.00 H new ATOM 1337 N GLU A 83 6.725 11.809 6.494 1.00 0.00 N ATOM 1338 CA GLU A 83 7.119 12.194 7.843 1.00 0.00 C ATOM 1339 C GLU A 83 6.131 11.657 8.873 1.00 0.00 C ATOM 1340 O GLU A 83 6.521 11.244 9.966 1.00 0.00 O ATOM 1341 CB GLU A 83 7.212 13.717 7.955 1.00 0.00 C ATOM 1342 CG GLU A 83 8.113 14.190 9.083 1.00 0.00 C ATOM 1343 CD GLU A 83 8.461 15.662 8.973 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.626 16.501 9.374 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.568 15.976 8.488 1.00 0.00 O ATOM 0 H GLU A 83 6.563 12.593 5.862 1.00 0.00 H new ATOM 0 HA GLU A 83 8.099 11.761 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.582 14.120 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.212 14.124 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.620 14.007 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.031 13.602 9.081 1.00 0.00 H new ATOM 1352 N VAL A 84 4.851 11.665 8.517 1.00 0.00 N ATOM 1353 CA VAL A 84 3.806 11.177 9.410 1.00 0.00 C ATOM 1354 C VAL A 84 3.840 9.657 9.515 1.00 0.00 C ATOM 1355 O VAL A 84 3.745 9.097 10.607 1.00 0.00 O ATOM 1356 CB VAL A 84 2.409 11.619 8.935 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.357 11.271 9.976 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.396 13.109 8.626 1.00 0.00 C ATOM 0 H VAL A 84 4.512 12.004 7.617 1.00 0.00 H new ATOM 0 HA VAL A 84 4.000 11.610 10.391 1.00 0.00 H new ATOM 0 HB VAL A 84 2.169 11.081 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.376 11.591 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.350 10.193 10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.589 11.779 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.401 13.403 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.657 13.669 9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.120 13.324 7.841 1.00 0.00 H new ATOM 1368 N VAL A 85 3.974 8.993 8.371 1.00 0.00 N ATOM 1369 CA VAL A 85 4.021 7.537 8.334 1.00 0.00 C ATOM 1370 C VAL A 85 5.253 7.010 9.060 1.00 0.00 C ATOM 1371 O VAL A 85 5.182 6.020 9.788 1.00 0.00 O ATOM 1372 CB VAL A 85 4.029 7.010 6.885 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.918 5.494 6.865 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.904 7.644 6.078 1.00 0.00 C ATOM 0 H VAL A 85 4.052 9.441 7.458 1.00 0.00 H new ATOM 0 HA VAL A 85 3.123 7.179 8.837 1.00 0.00 H new ATOM 0 HB VAL A 85 4.977 7.288 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.925 5.142 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.761 5.060 7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.987 5.191 7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.926 7.260 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.946 7.401 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.034 8.726 6.061 1.00 0.00 H new ATOM 1384 N ARG A 86 6.382 7.681 8.860 1.00 0.00 N ATOM 1385 CA ARG A 86 7.633 7.282 9.497 1.00 0.00 C ATOM 1386 C ARG A 86 7.561 7.468 11.010 1.00 0.00 C ATOM 1387 O ARG A 86 8.304 6.833 11.758 1.00 0.00 O ATOM 1388 CB ARG A 86 8.799 8.091 8.924 1.00 0.00 C ATOM 1389 CG ARG A 86 10.010 7.244 8.567 1.00 0.00 C ATOM 1390 CD ARG A 86 10.804 7.860 7.427 1.00 0.00 C ATOM 1391 NE ARG A 86 11.913 8.679 7.912 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.078 8.180 8.323 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.287 6.870 8.315 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.034 8.996 8.746 1.00 0.00 N ATOM 0 H ARG A 86 6.457 8.504 8.262 1.00 0.00 H new ATOM 0 HA ARG A 86 7.796 6.224 9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.460 8.620 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.097 8.848 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.651 7.137 9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.685 6.242 8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.191 7.068 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.143 8.472 6.814 1.00 0.00 H new ATOM 0 HE ARG A 86 11.788 9.691 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.554 6.239 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.181 6.494 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.877 10.004 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.927 8.616 9.061 1.00 0.00 H new ATOM 1408 N GLY A 87 6.666 8.344 11.456 1.00 0.00 N ATOM 1409 CA GLY A 87 6.520 8.598 12.877 1.00 0.00 C ATOM 1410 C GLY A 87 5.510 7.680 13.539 1.00 0.00 C ATOM 1411 O GLY A 87 5.572 7.445 14.745 1.00 0.00 O ATOM 0 H GLY A 87 6.039 8.883 10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.488 8.477 13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.215 9.634 13.027 1.00 0.00 H new ATOM 1415 N THR A 88 4.572 7.160 12.749 1.00 0.00 N ATOM 1416 CA THR A 88 3.545 6.267 13.273 1.00 0.00 C ATOM 1417 C THR A 88 4.175 5.040 13.936 1.00 0.00 C ATOM 1418 O THR A 88 4.831 4.237 13.272 1.00 0.00 O ATOM 1419 CB THR A 88 2.602 5.823 12.153 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.314 5.133 11.143 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.871 6.975 11.497 1.00 0.00 C ATOM 0 H THR A 88 4.504 7.342 11.748 1.00 0.00 H new ATOM 0 HA THR A 88 2.975 6.814 14.024 1.00 0.00 H new ATOM 0 HB THR A 88 1.869 5.174 12.631 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.725 5.780 10.532 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.219 6.592 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.272 7.498 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.595 7.665 11.063 1.00 0.00 H new ATOM 1429 N PRO A 89 3.983 4.875 15.259 1.00 0.00 N ATOM 1430 CA PRO A 89 4.539 3.737 15.998 1.00 0.00 C ATOM 1431 C PRO A 89 4.182 2.400 15.356 1.00 0.00 C ATOM 1432 O PRO A 89 3.022 2.144 15.037 1.00 0.00 O ATOM 1433 CB PRO A 89 3.891 3.856 17.379 1.00 0.00 C ATOM 1434 CG PRO A 89 3.558 5.300 17.519 1.00 0.00 C ATOM 1435 CD PRO A 89 3.214 5.779 16.135 1.00 0.00 C ATOM 0 HA PRO A 89 5.628 3.761 16.021 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.998 3.235 17.452 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.572 3.529 18.165 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.720 5.443 18.202 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.401 5.858 17.927 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.143 5.712 15.941 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.500 6.820 15.988 1.00 0.00 H new ATOM 1443 N GLY A 90 5.188 1.551 15.172 1.00 0.00 N ATOM 1444 CA GLY A 90 4.958 0.251 14.570 1.00 0.00 C ATOM 1445 C GLY A 90 5.299 0.218 13.090 1.00 0.00 C ATOM 1446 O GLY A 90 5.244 -0.839 12.461 1.00 0.00 O ATOM 0 H GLY A 90 6.157 1.740 15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.555 -0.497 15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.912 -0.026 14.703 1.00 0.00 H new ATOM 1450 N ILE A 91 5.649 1.374 12.531 1.00 0.00 N ATOM 1451 CA ILE A 91 5.997 1.461 11.119 1.00 0.00 C ATOM 1452 C ILE A 91 7.430 0.996 10.874 1.00 0.00 C ATOM 1453 O ILE A 91 8.388 1.681 11.231 1.00 0.00 O ATOM 1454 CB ILE A 91 5.830 2.902 10.588 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.101 2.956 9.082 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.753 3.856 11.333 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.945 2.461 8.241 1.00 0.00 C ATOM 0 H ILE A 91 5.698 2.260 13.034 1.00 0.00 H new ATOM 0 HA ILE A 91 5.313 0.804 10.582 1.00 0.00 H new ATOM 0 HB ILE A 91 4.800 3.215 10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.332 3.983 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.984 2.358 8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.622 4.866 10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.511 3.841 12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.788 3.545 11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.208 2.528 7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.728 1.424 8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.065 3.074 8.435 1.00 0.00 H new ATOM 1567 N ARG A 100 14.004 2.036 2.850 1.00 0.00 N ATOM 1568 CA ARG A 100 12.802 1.651 3.579 1.00 0.00 C ATOM 1569 C ARG A 100 11.626 1.433 2.626 1.00 0.00 C ATOM 1570 O ARG A 100 11.033 0.355 2.598 1.00 0.00 O ATOM 1571 CB ARG A 100 12.448 2.710 4.626 1.00 0.00 C ATOM 1572 CG ARG A 100 13.379 2.709 5.825 1.00 0.00 C ATOM 1573 CD ARG A 100 13.054 3.842 6.786 1.00 0.00 C ATOM 1574 NE ARG A 100 13.645 3.628 8.103 1.00 0.00 N ATOM 1575 CZ ARG A 100 14.940 3.778 8.369 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.784 4.145 7.410 1.00 0.00 N ATOM 1577 NH2 ARG A 100 15.394 3.563 9.595 1.00 0.00 N ATOM 0 HA ARG A 100 13.005 0.709 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.471 3.694 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.427 2.544 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.301 1.755 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.411 2.803 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.418 4.783 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.972 3.935 6.885 1.00 0.00 H new ATOM 0 HE ARG A 100 13.028 3.347 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.440 4.313 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.776 4.259 7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.751 3.282 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.387 3.678 9.799 1.00 0.00 H new ATOM 1591 N PRO A 101 11.270 2.455 1.826 1.00 0.00 N ATOM 1592 CA PRO A 101 10.159 2.358 0.872 1.00 0.00 C ATOM 1593 C PRO A 101 10.467 1.405 -0.278 1.00 0.00 C ATOM 1594 O PRO A 101 11.565 1.422 -0.834 1.00 0.00 O ATOM 1595 CB PRO A 101 10.010 3.789 0.349 1.00 0.00 C ATOM 1596 CG PRO A 101 11.355 4.401 0.535 1.00 0.00 C ATOM 1597 CD PRO A 101 11.917 3.781 1.784 1.00 0.00 C ATOM 0 HA PRO A 101 9.256 1.964 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.712 3.798 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.246 4.335 0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 101 11.997 4.203 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.282 5.484 0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 101 13.003 3.697 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.680 4.372 2.668 1.00 0.00 H new ATOM 1605 N VAL A 102 9.491 0.574 -0.629 1.00 0.00 N ATOM 1606 CA VAL A 102 9.657 -0.387 -1.712 1.00 0.00 C ATOM 1607 C VAL A 102 8.425 -0.410 -2.617 1.00 0.00 C ATOM 1608 O VAL A 102 7.510 -1.208 -2.415 1.00 0.00 O ATOM 1609 CB VAL A 102 9.923 -1.805 -1.169 1.00 0.00 C ATOM 1610 CG1 VAL A 102 8.784 -2.261 -0.267 1.00 0.00 C ATOM 1611 CG2 VAL A 102 10.138 -2.788 -2.313 1.00 0.00 C ATOM 0 H VAL A 102 8.576 0.547 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 102 10.521 -0.068 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 102 10.834 -1.776 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.993 -3.264 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.689 -1.575 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.853 -2.271 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.324 -3.783 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.249 -2.813 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.995 -2.472 -2.908 1.00 0.00 H new ATOM 1621 N PRO A 103 8.387 0.471 -3.632 1.00 0.00 N ATOM 1622 CA PRO A 103 7.260 0.548 -4.568 1.00 0.00 C ATOM 1623 C PRO A 103 7.137 -0.706 -5.427 1.00 0.00 C ATOM 1624 O PRO A 103 8.113 -1.165 -6.020 1.00 0.00 O ATOM 1625 CB PRO A 103 7.595 1.762 -5.440 1.00 0.00 C ATOM 1626 CG PRO A 103 9.072 1.927 -5.325 1.00 0.00 C ATOM 1627 CD PRO A 103 9.435 1.459 -3.944 1.00 0.00 C ATOM 0 HA PRO A 103 6.306 0.635 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.296 1.598 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.071 2.653 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.590 1.341 -6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.361 2.968 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.429 1.012 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.438 2.281 -3.229 1.00 0.00 H new ATOM 1635 N LEU A 104 5.929 -1.258 -5.487 1.00 0.00 N ATOM 1636 CA LEU A 104 5.675 -2.462 -6.271 1.00 0.00 C ATOM 1637 C LEU A 104 5.532 -2.127 -7.752 1.00 0.00 C ATOM 1638 O LEU A 104 5.334 -0.969 -8.121 1.00 0.00 O ATOM 1639 CB LEU A 104 4.412 -3.165 -5.771 1.00 0.00 C ATOM 1640 CG LEU A 104 4.267 -3.238 -4.250 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.805 -3.148 -3.845 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.891 -4.520 -3.717 1.00 0.00 C ATOM 0 H LEU A 104 5.110 -0.891 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 104 6.527 -3.131 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.543 -2.649 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.397 -4.179 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 104 4.795 -2.390 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.724 -3.202 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.388 -2.203 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.252 -3.975 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.779 -4.556 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.391 -5.380 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.950 -4.543 -3.973 1.00 0.00 H new ATOM 1654 N SER A 105 5.629 -3.149 -8.597 1.00 0.00 N ATOM 1655 CA SER A 105 5.509 -2.962 -10.039 1.00 0.00 C ATOM 1656 C SER A 105 4.046 -3.023 -10.474 1.00 0.00 C ATOM 1657 O SER A 105 3.275 -3.836 -9.966 1.00 0.00 O ATOM 1658 CB SER A 105 6.319 -4.025 -10.782 1.00 0.00 C ATOM 1659 OG SER A 105 6.704 -3.569 -12.068 1.00 0.00 O ATOM 0 H SER A 105 5.790 -4.114 -8.309 1.00 0.00 H new ATOM 0 HA SER A 105 5.904 -1.977 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.206 -4.281 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.728 -4.936 -10.878 1.00 0.00 H new ATOM 0 HG SER A 105 7.222 -4.267 -12.521 1.00 0.00 H new ATOM 1665 N PRO A 106 3.643 -2.163 -11.427 1.00 0.00 N ATOM 1666 CA PRO A 106 2.265 -2.127 -11.925 1.00 0.00 C ATOM 1667 C PRO A 106 1.748 -3.508 -12.314 1.00 0.00 C ATOM 1668 O PRO A 106 0.553 -3.786 -12.213 1.00 0.00 O ATOM 1669 CB PRO A 106 2.358 -1.224 -13.156 1.00 0.00 C ATOM 1670 CG PRO A 106 3.520 -0.334 -12.882 1.00 0.00 C ATOM 1671 CD PRO A 106 4.497 -1.158 -12.090 1.00 0.00 C ATOM 0 HA PRO A 106 1.568 -1.769 -11.167 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.511 -1.807 -14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.443 -0.649 -13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.969 0.018 -13.811 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.211 0.549 -12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.242 -1.626 -12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.039 -0.551 -11.365 1.00 0.00 H new ATOM 1679 N ASP A 107 2.656 -4.372 -12.758 1.00 0.00 N ATOM 1680 CA ASP A 107 2.290 -5.725 -13.162 1.00 0.00 C ATOM 1681 C ASP A 107 1.881 -6.562 -11.953 1.00 0.00 C ATOM 1682 O ASP A 107 0.898 -7.301 -12.002 1.00 0.00 O ATOM 1683 CB ASP A 107 3.455 -6.395 -13.892 1.00 0.00 C ATOM 1684 CG ASP A 107 2.997 -7.204 -15.089 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.327 -6.631 -15.972 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.308 -8.413 -15.143 1.00 0.00 O ATOM 0 H ASP A 107 3.650 -4.159 -12.847 1.00 0.00 H new ATOM 0 HA ASP A 107 1.438 -5.658 -13.839 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.161 -5.633 -14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.988 -7.046 -13.199 1.00 0.00 H new ATOM 1691 N GLU A 108 2.643 -6.438 -10.870 1.00 0.00 N ATOM 1692 CA GLU A 108 2.359 -7.183 -9.649 1.00 0.00 C ATOM 1693 C GLU A 108 1.231 -6.527 -8.861 1.00 0.00 C ATOM 1694 O GLU A 108 0.473 -7.202 -8.165 1.00 0.00 O ATOM 1695 CB GLU A 108 3.616 -7.278 -8.782 1.00 0.00 C ATOM 1696 CG GLU A 108 3.492 -8.270 -7.638 1.00 0.00 C ATOM 1697 CD GLU A 108 4.714 -8.279 -6.739 1.00 0.00 C ATOM 1698 OE1 GLU A 108 4.742 -7.490 -5.770 1.00 0.00 O ATOM 1699 OE2 GLU A 108 5.640 -9.072 -7.004 1.00 0.00 O ATOM 0 H GLU A 108 3.460 -5.830 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 108 2.043 -8.188 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.460 -7.564 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.842 -6.293 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.611 -8.026 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.337 -9.270 -8.044 1.00 0.00 H new ATOM 1706 N VAL A 109 1.124 -5.207 -8.975 1.00 0.00 N ATOM 1707 CA VAL A 109 0.087 -4.461 -8.273 1.00 0.00 C ATOM 1708 C VAL A 109 -1.304 -4.907 -8.711 1.00 0.00 C ATOM 1709 O VAL A 109 -2.197 -5.093 -7.884 1.00 0.00 O ATOM 1710 CB VAL A 109 0.227 -2.947 -8.507 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.761 -2.181 -7.642 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.654 -2.490 -8.232 1.00 0.00 C ATOM 0 H VAL A 109 1.743 -4.632 -9.547 1.00 0.00 H new ATOM 0 HA VAL A 109 0.214 -4.669 -7.210 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.000 -2.738 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.648 -1.112 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.777 -2.485 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.567 -2.396 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.732 -1.416 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.914 -2.712 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.339 -3.014 -8.899 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.484 -5.073 -10.018 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.769 -5.495 -10.562 1.00 0.00 C ATOM 1724 C ARG A 110 -3.157 -6.874 -10.042 1.00 0.00 C ATOM 1725 O ARG A 110 -4.339 -7.192 -9.920 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.721 -5.504 -12.091 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.975 -4.942 -12.742 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.639 -4.053 -13.931 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.367 -4.449 -15.134 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.523 -3.665 -16.198 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.005 -2.442 -16.211 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.198 -4.104 -17.251 1.00 0.00 N ATOM 0 H ARG A 110 -0.758 -4.922 -10.718 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.525 -4.781 -10.235 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.859 -4.925 -12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.570 -6.527 -12.436 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.614 -5.762 -13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.542 -4.370 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.877 -3.017 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.567 -4.097 -14.125 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.780 -5.381 -15.160 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.485 -2.100 -15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.127 -1.845 -17.029 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.598 -5.042 -17.246 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.318 -3.503 -18.067 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.153 -7.692 -9.736 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.395 -9.036 -9.230 1.00 0.00 C ATOM 1748 C HIS A 111 -2.816 -8.995 -7.765 1.00 0.00 C ATOM 1749 O HIS A 111 -3.767 -9.665 -7.365 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.141 -9.899 -9.389 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.898 -10.345 -10.799 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.630 -11.655 -11.137 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.882 -9.648 -11.959 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.459 -11.745 -12.445 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.608 -10.540 -12.967 1.00 0.00 N ATOM 0 H HIS A 111 -1.167 -7.447 -9.830 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.205 -9.477 -9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.275 -9.336 -9.040 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.230 -10.777 -8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.053 -8.588 -12.071 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.236 -12.648 -12.993 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.532 -10.310 -13.958 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.106 -8.202 -6.970 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.413 -8.077 -5.552 1.00 0.00 C ATOM 1766 C ILE A 112 -3.705 -7.290 -5.342 1.00 0.00 C ATOM 1767 O ILE A 112 -4.398 -7.473 -4.342 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.263 -7.401 -4.777 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.147 -5.921 -5.154 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.049 -8.123 -5.045 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.033 -5.197 -4.430 1.00 0.00 C ATOM 0 H ILE A 112 -1.316 -7.638 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.541 -9.087 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.485 -7.463 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.983 -5.840 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.093 -5.424 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.852 -7.636 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.035 -9.161 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.271 -8.090 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.011 -4.154 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.206 -5.246 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.921 -5.668 -4.666 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.028 -6.417 -6.296 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.241 -5.612 -6.215 1.00 0.00 C ATOM 1785 C LEU A 113 -6.462 -6.453 -6.573 1.00 0.00 C ATOM 1786 O LEU A 113 -7.535 -6.287 -5.994 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.147 -4.404 -7.149 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.209 -3.289 -6.682 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.034 -2.247 -7.777 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.737 -2.643 -5.409 1.00 0.00 C ATOM 0 H LEU A 113 -3.466 -6.251 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.347 -5.255 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.816 -4.748 -8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.146 -3.986 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.235 -3.728 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.364 -1.461 -7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.610 -2.718 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.003 -1.814 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.056 -1.853 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.723 -2.219 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.810 -3.395 -4.623 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.287 -7.359 -7.530 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.374 -8.230 -7.961 1.00 0.00 C ATOM 1804 C GLU A 114 -7.770 -9.191 -6.844 1.00 0.00 C ATOM 1805 O GLU A 114 -8.914 -9.639 -6.772 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.961 -9.020 -9.206 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.138 -9.580 -9.989 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.875 -10.977 -10.516 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.290 -11.096 -11.612 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.251 -11.951 -9.832 1.00 0.00 O ATOM 0 H GLU A 114 -5.405 -7.509 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.234 -7.606 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.376 -8.373 -9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.311 -9.842 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.020 -9.597 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.363 -8.917 -10.824 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.814 -9.501 -5.973 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.059 -10.405 -4.857 1.00 0.00 C ATOM 1819 C VAL A 115 -7.822 -9.703 -3.739 1.00 0.00 C ATOM 1820 O VAL A 115 -8.740 -10.273 -3.148 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.738 -10.962 -4.289 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -6.014 -12.027 -3.239 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.864 -11.518 -5.404 1.00 0.00 C ATOM 0 H VAL A 115 -5.862 -9.138 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.660 -11.229 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.199 -10.143 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.070 -12.408 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.593 -11.593 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.577 -12.845 -3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.937 -11.906 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.394 -12.322 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.634 -10.725 -6.116 1.00 0.00 H new ATOM 1833 N SER A 116 -7.436 -8.464 -3.455 1.00 0.00 N ATOM 1834 CA SER A 116 -8.082 -7.682 -2.407 1.00 0.00 C ATOM 1835 C SER A 116 -9.578 -7.544 -2.669 1.00 0.00 C ATOM 1836 O SER A 116 -10.401 -8.006 -1.878 1.00 0.00 O ATOM 1837 CB SER A 116 -7.437 -6.296 -2.308 1.00 0.00 C ATOM 1838 OG SER A 116 -6.605 -6.201 -1.166 1.00 0.00 O ATOM 0 H SER A 116 -6.678 -7.979 -3.936 1.00 0.00 H new ATOM 0 HA SER A 116 -7.948 -8.208 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.851 -6.099 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.214 -5.533 -2.260 1.00 0.00 H new ATOM 0 HG SER A 116 -6.214 -7.078 -0.973 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.925 -6.908 -3.783 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.322 -6.725 -4.126 1.00 0.00 C ATOM 1846 C GLY A 117 -11.560 -5.473 -4.950 1.00 0.00 C ATOM 1847 O GLY A 117 -12.503 -4.725 -4.693 1.00 0.00 O ATOM 0 H GLY A 117 -9.264 -6.516 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.673 -7.594 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.913 -6.672 -3.212 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.706 -5.247 -5.943 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.832 -4.078 -6.807 1.00 0.00 C ATOM 1853 C LEU A 118 -11.035 -4.497 -8.259 1.00 0.00 C ATOM 1854 O LEU A 118 -11.981 -4.063 -8.915 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.591 -3.189 -6.689 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.007 -3.065 -5.279 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.854 -2.074 -5.269 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.081 -2.645 -4.286 1.00 0.00 C ATOM 0 H LEU A 118 -9.920 -5.857 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.705 -3.512 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.819 -3.581 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.843 -2.192 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.628 -4.041 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.449 -1.997 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.073 -2.417 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.212 -1.096 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.644 -2.563 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.493 -1.680 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.876 -3.391 -4.273 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.141 -5.347 -8.754 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.224 -5.827 -10.129 1.00 0.00 C ATOM 1872 C LEU A 119 -10.992 -7.143 -10.200 1.00 0.00 C ATOM 1873 O LEU A 119 -11.658 -7.432 -11.194 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.820 -6.005 -10.714 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.440 -4.998 -11.801 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -9.377 -5.120 -12.994 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.462 -3.582 -11.246 1.00 0.00 C ATOM 0 H LEU A 119 -9.352 -5.717 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.762 -5.083 -10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.094 -5.934 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.740 -7.010 -11.127 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.427 -5.220 -12.137 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.091 -4.396 -13.757 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.311 -6.127 -13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.401 -4.925 -12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.189 -2.879 -12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.463 -3.349 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.750 -3.502 -10.425 1.00 0.00 H new ATOM 1889 N GLY A 120 -10.896 -7.937 -9.138 1.00 0.00 N ATOM 1890 CA GLY A 120 -11.586 -9.211 -9.100 1.00 0.00 C ATOM 1891 C GLY A 120 -13.055 -9.065 -8.755 1.00 0.00 C ATOM 1892 O GLY A 120 -13.388 -8.180 -7.939 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.872 -9.834 -9.302 1.00 0.00 O ATOM 0 H GLY A 120 -10.352 -7.719 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.491 -9.701 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.106 -9.859 -8.366 1.00 0.00 H new