USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 GLN : amide:sc= -3.19 K(o=-10,f=-9.6) USER MOD Set 2.2: A 81 MET CE :methyl 175:sc= -7.23! (180deg=-5.48!) USER MOD Set 3.1: A 41 HIS : no HE2:sc= -7.33 X(o=-11,f=-11!) USER MOD Set 3.2: A 43 GLN : amide:sc= -3.17! C(o=-11!,f=-9.7!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -4.68! C(o=-16!,f=-18!) USER MOD Set 4.2: A 24 SER OG : rot -170:sc= -0.487 USER MOD Set 4.3: A 25 MET CE :methyl -153:sc= -3.97! (180deg=-5.74!) USER MOD Set 4.4: A 48 MET CE :methyl -105:sc= -2.89 (180deg=-0.963) USER MOD Set 4.5: A 57 MET CE :methyl -113:sc= -3.76! (180deg=-6.5!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 160:sc= 0 USER MOD Single : A 9 CYS SG : rot -16:sc= 0.574 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0335 K(o=0.034,f=-2.8!) USER MOD Single : A 14 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 159:sc= -1.5 USER MOD Single : A 32 THR OG1 : rot -179:sc= -1.93 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.081) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.0882 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 58 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 65 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.0023) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -3.08! C(o=-3.1!,f=-8.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -22:sc= 1.19 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.641 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -10.684 0.282 18.036 1.00 53.35 N ATOM 12 CA ARG A 3 -10.666 -0.681 16.942 1.00 74.53 C ATOM 13 C ARG A 3 -9.773 -0.196 15.804 1.00 51.11 C ATOM 14 O ARG A 3 -10.258 0.156 14.729 1.00 72.41 O ATOM 15 CB ARG A 3 -12.085 -0.923 16.423 1.00 12.21 C ATOM 16 CG ARG A 3 -12.903 -1.857 17.300 1.00 54.05 C ATOM 17 CD ARG A 3 -14.023 -2.520 16.513 1.00 32.42 C ATOM 18 NE ARG A 3 -15.188 -2.799 17.349 1.00 71.02 N ATOM 19 CZ ARG A 3 -16.300 -3.366 16.894 1.00 21.21 C ATOM 20 NH1 ARG A 3 -16.397 -3.714 15.618 1.00 1.42 N ATOM 21 NH2 ARG A 3 -17.317 -3.588 17.716 1.00 15.54 N ATOM 0 HA ARG A 3 -10.261 -1.618 17.324 1.00 74.53 H new ATOM 0 HB2 ARG A 3 -12.602 0.033 16.344 1.00 12.21 H new ATOM 0 HB3 ARG A 3 -12.029 -1.339 15.417 1.00 12.21 H new ATOM 0 HG2 ARG A 3 -12.253 -2.622 17.725 1.00 54.05 H new ATOM 0 HG3 ARG A 3 -13.325 -1.298 18.135 1.00 54.05 H new ATOM 0 HD2 ARG A 3 -14.317 -1.874 15.686 1.00 32.42 H new ATOM 0 HD3 ARG A 3 -13.658 -3.450 16.077 1.00 32.42 H new ATOM 0 HE ARG A 3 -15.145 -2.545 18.336 1.00 71.02 H new ATOM 0 HH11 ARG A 3 -15.617 -3.547 14.983 1.00 1.42 H new ATOM 0 HH12 ARG A 3 -17.252 -4.149 15.272 1.00 1.42 H new ATOM 0 HH21 ARG A 3 -17.246 -3.323 18.698 1.00 15.54 H new ATOM 0 HH22 ARG A 3 -18.170 -4.023 17.366 1.00 15.54 H new ATOM 35 N GLN A 4 -8.467 -0.179 16.050 1.00 71.34 N ATOM 36 CA GLN A 4 -7.507 0.264 15.046 1.00 40.31 C ATOM 37 C GLN A 4 -6.899 -0.926 14.311 1.00 4.42 C ATOM 38 O GLN A 4 -6.864 -2.040 14.834 1.00 3.41 O ATOM 39 CB GLN A 4 -6.401 1.095 15.699 1.00 12.13 C ATOM 40 CG GLN A 4 -6.624 2.595 15.593 1.00 45.12 C ATOM 41 CD GLN A 4 -5.597 3.394 16.372 1.00 72.03 C ATOM 42 OE1 GLN A 4 -5.809 3.730 17.537 1.00 33.12 O ATOM 43 NE2 GLN A 4 -4.476 3.703 15.730 1.00 32.25 N ATOM 0 H GLN A 4 -8.050 -0.467 16.935 1.00 71.34 H new ATOM 0 HA GLN A 4 -8.037 0.883 14.322 1.00 40.31 H new ATOM 0 HB2 GLN A 4 -6.325 0.821 16.751 1.00 12.13 H new ATOM 0 HB3 GLN A 4 -5.447 0.844 15.235 1.00 12.13 H new ATOM 0 HG2 GLN A 4 -6.589 2.890 14.544 1.00 45.12 H new ATOM 0 HG3 GLN A 4 -7.622 2.837 15.960 1.00 45.12 H new ATOM 0 HE21 GLN A 4 -4.342 3.404 14.764 1.00 32.25 H new ATOM 0 HE22 GLN A 4 -3.749 4.240 16.203 1.00 32.25 H new ATOM 52 N VAL A 5 -6.420 -0.682 13.095 1.00 31.40 N ATOM 53 CA VAL A 5 -5.812 -1.734 12.288 1.00 13.22 C ATOM 54 C VAL A 5 -4.433 -1.317 11.791 1.00 5.05 C ATOM 55 O VAL A 5 -4.117 -0.128 11.730 1.00 70.33 O ATOM 56 CB VAL A 5 -6.695 -2.093 11.078 1.00 25.50 C ATOM 57 CG1 VAL A 5 -8.079 -2.526 11.536 1.00 20.11 C ATOM 58 CG2 VAL A 5 -6.785 -0.918 10.117 1.00 11.31 C ATOM 0 H VAL A 5 -6.441 0.234 12.647 1.00 31.40 H new ATOM 0 HA VAL A 5 -5.714 -2.610 12.930 1.00 13.22 H new ATOM 0 HB VAL A 5 -6.236 -2.929 10.551 1.00 25.50 H new ATOM 0 HG11 VAL A 5 -8.688 -2.776 10.667 1.00 20.11 H new ATOM 0 HG12 VAL A 5 -7.992 -3.400 12.181 1.00 20.11 H new ATOM 0 HG13 VAL A 5 -8.550 -1.713 12.088 1.00 20.11 H new ATOM 0 HG21 VAL A 5 -7.413 -1.189 9.268 1.00 11.31 H new ATOM 0 HG22 VAL A 5 -7.220 -0.061 10.630 1.00 11.31 H new ATOM 0 HG23 VAL A 5 -5.787 -0.661 9.763 1.00 11.31 H new ATOM 68 N ILE A 6 -3.615 -2.303 11.438 1.00 45.50 N ATOM 69 CA ILE A 6 -2.269 -2.038 10.945 1.00 43.23 C ATOM 70 C ILE A 6 -2.273 -1.793 9.440 1.00 71.35 C ATOM 71 O ILE A 6 -3.114 -2.328 8.716 1.00 54.10 O ATOM 72 CB ILE A 6 -1.314 -3.204 11.261 1.00 4.33 C ATOM 73 CG1 ILE A 6 -1.404 -3.578 12.742 1.00 75.50 C ATOM 74 CG2 ILE A 6 0.115 -2.834 10.890 1.00 73.24 C ATOM 75 CD1 ILE A 6 -2.283 -4.781 13.008 1.00 3.00 C ATOM 0 H ILE A 6 -3.861 -3.292 11.484 1.00 45.50 H new ATOM 0 HA ILE A 6 -1.917 -1.142 11.456 1.00 43.23 H new ATOM 0 HB ILE A 6 -1.611 -4.069 10.667 1.00 4.33 H new ATOM 0 HG12 ILE A 6 -0.401 -3.780 13.119 1.00 75.50 H new ATOM 0 HG13 ILE A 6 -1.789 -2.725 13.301 1.00 75.50 H new ATOM 0 HG21 ILE A 6 0.778 -3.668 11.119 1.00 73.24 H new ATOM 0 HG22 ILE A 6 0.168 -2.611 9.824 1.00 73.24 H new ATOM 0 HG23 ILE A 6 0.424 -1.958 11.460 1.00 73.24 H new ATOM 0 HD11 ILE A 6 -2.301 -4.989 14.078 1.00 3.00 H new ATOM 0 HD12 ILE A 6 -3.296 -4.575 12.661 1.00 3.00 H new ATOM 0 HD13 ILE A 6 -1.886 -5.646 12.477 1.00 3.00 H new ATOM 87 N CYS A 7 -1.328 -0.984 8.974 1.00 23.55 N ATOM 88 CA CYS A 7 -1.221 -0.670 7.554 1.00 14.32 C ATOM 89 C CYS A 7 -0.589 -1.826 6.787 1.00 70.22 C ATOM 90 O CYS A 7 0.150 -2.631 7.355 1.00 54.41 O ATOM 91 CB CYS A 7 -0.397 0.603 7.353 1.00 74.11 C ATOM 92 SG CYS A 7 1.380 0.378 7.596 1.00 21.34 S ATOM 0 H CYS A 7 -0.625 -0.533 9.559 1.00 23.55 H new ATOM 0 HA CYS A 7 -2.227 -0.508 7.166 1.00 14.32 H new ATOM 0 HB2 CYS A 7 -0.570 0.980 6.345 1.00 74.11 H new ATOM 0 HB3 CYS A 7 -0.754 1.367 8.044 1.00 74.11 H new ATOM 0 HG CYS A 7 2.024 1.344 7.011 1.00 21.34 H new ATOM 98 N TRP A 8 -0.885 -1.904 5.495 1.00 53.34 N ATOM 99 CA TRP A 8 -0.347 -2.964 4.649 1.00 1.55 C ATOM 100 C TRP A 8 0.718 -2.418 3.705 1.00 61.14 C ATOM 101 O TRP A 8 0.425 -1.605 2.828 1.00 50.54 O ATOM 102 CB TRP A 8 -1.469 -3.623 3.846 1.00 32.35 C ATOM 103 CG TRP A 8 -2.409 -4.429 4.691 1.00 32.20 C ATOM 104 CD1 TRP A 8 -3.296 -3.952 5.614 1.00 61.23 C ATOM 105 CD2 TRP A 8 -2.554 -5.854 4.692 1.00 40.45 C ATOM 106 NE1 TRP A 8 -3.983 -4.994 6.188 1.00 73.33 N ATOM 107 CE2 TRP A 8 -3.547 -6.171 5.639 1.00 72.04 C ATOM 108 CE3 TRP A 8 -1.943 -6.891 3.983 1.00 60.52 C ATOM 109 CZ2 TRP A 8 -3.940 -7.482 5.894 1.00 71.22 C ATOM 110 CZ3 TRP A 8 -2.334 -8.192 4.238 1.00 62.25 C ATOM 111 CH2 TRP A 8 -3.325 -8.479 5.186 1.00 50.54 C ATOM 0 H TRP A 8 -1.495 -1.246 5.010 1.00 53.34 H new ATOM 0 HA TRP A 8 0.115 -3.711 5.294 1.00 1.55 H new ATOM 0 HB2 TRP A 8 -2.033 -2.851 3.322 1.00 32.35 H new ATOM 0 HB3 TRP A 8 -1.031 -4.269 3.085 1.00 32.35 H new ATOM 0 HD1 TRP A 8 -3.436 -2.909 5.857 1.00 61.23 H new ATOM 0 HE1 TRP A 8 -4.701 -4.906 6.907 1.00 73.33 H new ATOM 0 HE3 TRP A 8 -1.179 -6.680 3.249 1.00 60.52 H new ATOM 0 HZ2 TRP A 8 -4.703 -7.705 6.625 1.00 71.22 H new ATOM 0 HZ3 TRP A 8 -1.867 -9.002 3.697 1.00 62.25 H new ATOM 0 HH2 TRP A 8 -3.609 -9.506 5.361 1.00 50.54 H new ATOM 122 N CYS A 9 1.953 -2.870 3.888 1.00 24.44 N ATOM 123 CA CYS A 9 3.063 -2.426 3.052 1.00 73.44 C ATOM 124 C CYS A 9 3.336 -3.428 1.935 1.00 62.43 C ATOM 125 O CYS A 9 3.574 -4.609 2.190 1.00 31.11 O ATOM 126 CB CYS A 9 4.321 -2.232 3.898 1.00 3.23 C ATOM 127 SG CYS A 9 4.814 -3.697 4.836 1.00 33.05 S ATOM 0 H CYS A 9 2.212 -3.544 4.608 1.00 24.44 H new ATOM 0 HA CYS A 9 2.787 -1.472 2.601 1.00 73.44 H new ATOM 0 HB2 CYS A 9 5.143 -1.938 3.245 1.00 3.23 H new ATOM 0 HB3 CYS A 9 4.155 -1.408 4.592 1.00 3.23 H new ATOM 0 HG CYS A 9 3.821 -4.535 4.886 1.00 33.05 H new ATOM 133 N PHE A 10 3.299 -2.950 0.696 1.00 42.15 N ATOM 134 CA PHE A 10 3.540 -3.804 -0.461 1.00 63.24 C ATOM 135 C PHE A 10 4.339 -3.062 -1.529 1.00 13.31 C ATOM 136 O PHE A 10 4.444 -1.835 -1.502 1.00 12.12 O ATOM 137 CB PHE A 10 2.214 -4.292 -1.048 1.00 14.55 C ATOM 138 CG PHE A 10 1.637 -3.364 -2.078 1.00 50.24 C ATOM 139 CD1 PHE A 10 1.090 -2.146 -1.706 1.00 25.35 C ATOM 140 CD2 PHE A 10 1.642 -3.709 -3.420 1.00 51.23 C ATOM 141 CE1 PHE A 10 0.559 -1.291 -2.652 1.00 74.21 C ATOM 142 CE2 PHE A 10 1.112 -2.857 -4.372 1.00 33.55 C ATOM 143 CZ PHE A 10 0.570 -1.647 -3.987 1.00 3.42 C ATOM 0 H PHE A 10 3.104 -1.975 0.467 1.00 42.15 H new ATOM 0 HA PHE A 10 4.121 -4.665 -0.130 1.00 63.24 H new ATOM 0 HB2 PHE A 10 2.364 -5.273 -1.498 1.00 14.55 H new ATOM 0 HB3 PHE A 10 1.493 -4.419 -0.240 1.00 14.55 H new ATOM 0 HD1 PHE A 10 1.079 -1.862 -0.664 1.00 25.35 H new ATOM 0 HD2 PHE A 10 2.065 -4.654 -3.726 1.00 51.23 H new ATOM 0 HE1 PHE A 10 0.136 -0.345 -2.348 1.00 74.21 H new ATOM 0 HE2 PHE A 10 1.122 -3.138 -5.415 1.00 33.55 H new ATOM 0 HZ PHE A 10 0.155 -0.980 -4.728 1.00 3.42 H new ATOM 153 N THR A 11 4.901 -3.814 -2.469 1.00 63.53 N ATOM 154 CA THR A 11 5.692 -3.230 -3.545 1.00 52.31 C ATOM 155 C THR A 11 5.287 -3.803 -4.899 1.00 4.35 C ATOM 156 O THR A 11 5.273 -5.019 -5.090 1.00 22.50 O ATOM 157 CB THR A 11 7.198 -3.468 -3.329 1.00 1.02 C ATOM 158 OG1 THR A 11 7.525 -3.312 -1.943 1.00 72.03 O ATOM 159 CG2 THR A 11 8.024 -2.500 -4.162 1.00 2.31 C ATOM 0 H THR A 11 4.823 -4.830 -2.507 1.00 63.53 H new ATOM 0 HA THR A 11 5.497 -2.158 -3.534 1.00 52.31 H new ATOM 0 HB THR A 11 7.431 -4.485 -3.645 1.00 1.02 H new ATOM 0 HG1 THR A 11 8.484 -3.467 -1.814 1.00 72.03 H new ATOM 0 HG21 THR A 11 9.084 -2.687 -3.993 1.00 2.31 H new ATOM 0 HG22 THR A 11 7.795 -2.641 -5.218 1.00 2.31 H new ATOM 0 HG23 THR A 11 7.786 -1.476 -3.873 1.00 2.31 H new ATOM 167 N LEU A 12 4.960 -2.920 -5.835 1.00 52.24 N ATOM 168 CA LEU A 12 4.556 -3.338 -7.173 1.00 72.23 C ATOM 169 C LEU A 12 5.644 -3.022 -8.194 1.00 71.25 C ATOM 170 O LEU A 12 5.998 -1.862 -8.400 1.00 20.13 O ATOM 171 CB LEU A 12 3.250 -2.648 -7.572 1.00 61.22 C ATOM 172 CG LEU A 12 2.415 -3.357 -8.639 1.00 31.41 C ATOM 173 CD1 LEU A 12 2.094 -4.780 -8.207 1.00 15.32 C ATOM 174 CD2 LEU A 12 1.136 -2.581 -8.918 1.00 63.14 C ATOM 0 H LEU A 12 4.967 -1.910 -5.693 1.00 52.24 H new ATOM 0 HA LEU A 12 4.400 -4.417 -7.158 1.00 72.23 H new ATOM 0 HB2 LEU A 12 2.637 -2.530 -6.678 1.00 61.22 H new ATOM 0 HB3 LEU A 12 3.487 -1.646 -7.931 1.00 61.22 H new ATOM 0 HG LEU A 12 2.998 -3.401 -9.559 1.00 31.41 H new ATOM 0 HD11 LEU A 12 1.499 -5.269 -8.979 1.00 15.32 H new ATOM 0 HD12 LEU A 12 3.021 -5.333 -8.059 1.00 15.32 H new ATOM 0 HD13 LEU A 12 1.531 -4.759 -7.274 1.00 15.32 H new ATOM 0 HD21 LEU A 12 0.554 -3.100 -9.680 1.00 63.14 H new ATOM 0 HD22 LEU A 12 0.549 -2.505 -8.002 1.00 63.14 H new ATOM 0 HD23 LEU A 12 1.387 -1.581 -9.272 1.00 63.14 H new ATOM 186 N ASN A 13 6.169 -4.063 -8.833 1.00 53.24 N ATOM 187 CA ASN A 13 7.215 -3.896 -9.835 1.00 45.11 C ATOM 188 C ASN A 13 6.644 -4.017 -11.245 1.00 11.45 C ATOM 189 O ASN A 13 5.896 -4.946 -11.544 1.00 55.11 O ATOM 190 CB ASN A 13 8.318 -4.936 -9.629 1.00 21.50 C ATOM 191 CG ASN A 13 7.852 -6.344 -9.948 1.00 12.21 C ATOM 192 OD1 ASN A 13 6.877 -6.831 -9.375 1.00 62.52 O ATOM 193 ND2 ASN A 13 8.548 -7.004 -10.866 1.00 2.11 N ATOM 0 H ASN A 13 5.887 -5.030 -8.675 1.00 53.24 H new ATOM 0 HA ASN A 13 7.638 -2.898 -9.718 1.00 45.11 H new ATOM 0 HB2 ASN A 13 9.171 -4.687 -10.260 1.00 21.50 H new ATOM 0 HB3 ASN A 13 8.663 -4.896 -8.596 1.00 21.50 H new ATOM 0 HD21 ASN A 13 8.281 -7.955 -11.122 1.00 2.11 H new ATOM 0 HD22 ASN A 13 9.349 -6.560 -11.315 1.00 2.11 H new ATOM 200 N ASN A 14 7.003 -3.070 -12.106 1.00 21.31 N ATOM 201 CA ASN A 14 6.526 -3.070 -13.484 1.00 61.41 C ATOM 202 C ASN A 14 5.011 -3.245 -13.536 1.00 3.54 C ATOM 203 O ASN A 14 4.491 -4.216 -14.084 1.00 65.43 O ATOM 204 CB ASN A 14 7.206 -4.186 -14.281 1.00 43.50 C ATOM 205 CG ASN A 14 8.700 -4.250 -14.026 1.00 52.02 C ATOM 206 OD1 ASN A 14 9.340 -3.232 -13.762 1.00 21.34 O ATOM 207 ND2 ASN A 14 9.262 -5.450 -14.105 1.00 60.43 N ATOM 0 H ASN A 14 7.622 -2.293 -11.874 1.00 21.31 H new ATOM 0 HA ASN A 14 6.779 -2.108 -13.929 1.00 61.41 H new ATOM 0 HB2 ASN A 14 6.754 -5.143 -14.020 1.00 43.50 H new ATOM 0 HB3 ASN A 14 7.028 -4.029 -15.345 1.00 43.50 H new ATOM 0 HD21 ASN A 14 10.264 -5.556 -13.944 1.00 60.43 H new ATOM 0 HD22 ASN A 14 8.692 -6.266 -14.327 1.00 60.43 H new ATOM 214 N PRO A 15 4.285 -2.280 -12.951 1.00 32.51 N ATOM 215 CA PRO A 15 2.819 -2.304 -12.918 1.00 4.34 C ATOM 216 C PRO A 15 2.204 -2.069 -14.293 1.00 45.21 C ATOM 217 O PRO A 15 2.850 -1.522 -15.188 1.00 3.30 O ATOM 218 CB PRO A 15 2.468 -1.153 -11.971 1.00 71.22 C ATOM 219 CG PRO A 15 3.630 -0.225 -12.055 1.00 24.33 C ATOM 220 CD PRO A 15 4.838 -1.093 -12.278 1.00 32.21 C ATOM 0 HA PRO A 15 2.434 -3.272 -12.597 1.00 4.34 H new ATOM 0 HB2 PRO A 15 1.545 -0.659 -12.273 1.00 71.22 H new ATOM 0 HB3 PRO A 15 2.320 -1.510 -10.952 1.00 71.22 H new ATOM 0 HG2 PRO A 15 3.504 0.485 -12.872 1.00 24.33 H new ATOM 0 HG3 PRO A 15 3.731 0.357 -11.139 1.00 24.33 H new ATOM 0 HD2 PRO A 15 5.584 -0.592 -12.895 1.00 32.21 H new ATOM 0 HD3 PRO A 15 5.324 -1.354 -11.338 1.00 32.21 H new ATOM 228 N LEU A 16 0.953 -2.485 -14.455 1.00 44.14 N ATOM 229 CA LEU A 16 0.250 -2.319 -15.723 1.00 24.21 C ATOM 230 C LEU A 16 -0.747 -1.167 -15.646 1.00 23.41 C ATOM 231 O LEU A 16 -1.383 -0.816 -16.640 1.00 24.33 O ATOM 232 CB LEU A 16 -0.475 -3.612 -16.099 1.00 61.43 C ATOM 233 CG LEU A 16 0.415 -4.785 -16.514 1.00 50.42 C ATOM 234 CD1 LEU A 16 0.383 -5.879 -15.458 1.00 40.25 C ATOM 235 CD2 LEU A 16 -0.020 -5.332 -17.866 1.00 30.13 C ATOM 0 H LEU A 16 0.404 -2.939 -13.725 1.00 44.14 H new ATOM 0 HA LEU A 16 0.987 -2.086 -16.492 1.00 24.21 H new ATOM 0 HB2 LEU A 16 -1.081 -3.925 -15.249 1.00 61.43 H new ATOM 0 HB3 LEU A 16 -1.161 -3.395 -16.918 1.00 61.43 H new ATOM 0 HG LEU A 16 1.440 -4.425 -16.603 1.00 50.42 H new ATOM 0 HD11 LEU A 16 1.022 -6.705 -15.770 1.00 40.25 H new ATOM 0 HD12 LEU A 16 0.743 -5.480 -14.510 1.00 40.25 H new ATOM 0 HD13 LEU A 16 -0.639 -6.237 -15.336 1.00 40.25 H new ATOM 0 HD21 LEU A 16 0.624 -6.166 -18.145 1.00 30.13 H new ATOM 0 HD22 LEU A 16 -1.052 -5.676 -17.804 1.00 30.13 H new ATOM 0 HD23 LEU A 16 0.056 -4.547 -18.618 1.00 30.13 H new ATOM 247 N SER A 17 -0.876 -0.582 -14.460 1.00 13.03 N ATOM 248 CA SER A 17 -1.797 0.530 -14.252 1.00 71.44 C ATOM 249 C SER A 17 -1.751 1.011 -12.805 1.00 63.14 C ATOM 250 O SER A 17 -1.299 0.305 -11.904 1.00 20.14 O ATOM 251 CB SER A 17 -3.223 0.113 -14.618 1.00 12.12 C ATOM 252 OG SER A 17 -4.000 -0.120 -13.456 1.00 10.43 O ATOM 0 H SER A 17 -0.355 -0.859 -13.628 1.00 13.03 H new ATOM 0 HA SER A 17 -1.488 1.351 -14.899 1.00 71.44 H new ATOM 0 HB2 SER A 17 -3.690 0.892 -15.221 1.00 12.12 H new ATOM 0 HB3 SER A 17 -3.196 -0.790 -15.228 1.00 12.12 H new ATOM 0 HG SER A 17 -4.907 -0.384 -13.717 1.00 10.43 H new ATOM 258 N PRO A 18 -2.229 2.243 -12.577 1.00 10.00 N ATOM 259 CA PRO A 18 -2.254 2.847 -11.242 1.00 12.53 C ATOM 260 C PRO A 18 -3.268 2.177 -10.321 1.00 22.12 C ATOM 261 O PRO A 18 -4.270 1.627 -10.780 1.00 30.15 O ATOM 262 CB PRO A 18 -2.659 4.298 -11.516 1.00 61.15 C ATOM 263 CG PRO A 18 -3.413 4.244 -12.800 1.00 42.13 C ATOM 264 CD PRO A 18 -2.783 3.141 -13.605 1.00 22.35 C ATOM 0 HA PRO A 18 -1.296 2.746 -10.732 1.00 12.53 H new ATOM 0 HB2 PRO A 18 -3.276 4.696 -10.711 1.00 61.15 H new ATOM 0 HB3 PRO A 18 -1.785 4.945 -11.597 1.00 61.15 H new ATOM 0 HG2 PRO A 18 -4.470 4.044 -12.624 1.00 42.13 H new ATOM 0 HG3 PRO A 18 -3.353 5.196 -13.328 1.00 42.13 H new ATOM 0 HD2 PRO A 18 -3.515 2.632 -14.231 1.00 22.35 H new ATOM 0 HD3 PRO A 18 -2.006 3.521 -14.268 1.00 22.35 H new ATOM 272 N LEU A 19 -3.002 2.226 -9.020 1.00 42.23 N ATOM 273 CA LEU A 19 -3.892 1.624 -8.034 1.00 23.51 C ATOM 274 C LEU A 19 -5.182 2.426 -7.902 1.00 52.05 C ATOM 275 O LEU A 19 -5.302 3.522 -8.449 1.00 44.34 O ATOM 276 CB LEU A 19 -3.193 1.533 -6.676 1.00 34.01 C ATOM 277 CG LEU A 19 -1.751 1.026 -6.695 1.00 40.14 C ATOM 278 CD1 LEU A 19 -1.104 1.205 -5.331 1.00 2.12 C ATOM 279 CD2 LEU A 19 -1.704 -0.434 -7.122 1.00 54.24 C ATOM 0 H LEU A 19 -2.177 2.676 -8.624 1.00 42.23 H new ATOM 0 HA LEU A 19 -4.144 0.620 -8.374 1.00 23.51 H new ATOM 0 HB2 LEU A 19 -3.203 2.522 -6.218 1.00 34.01 H new ATOM 0 HB3 LEU A 19 -3.779 0.877 -6.032 1.00 34.01 H new ATOM 0 HG LEU A 19 -1.189 1.614 -7.421 1.00 40.14 H new ATOM 0 HD11 LEU A 19 -0.078 0.838 -5.364 1.00 2.12 H new ATOM 0 HD12 LEU A 19 -1.103 2.262 -5.064 1.00 2.12 H new ATOM 0 HD13 LEU A 19 -1.666 0.643 -4.585 1.00 2.12 H new ATOM 0 HD21 LEU A 19 -0.670 -0.778 -7.130 1.00 54.24 H new ATOM 0 HD22 LEU A 19 -2.281 -1.037 -6.421 1.00 54.24 H new ATOM 0 HD23 LEU A 19 -2.127 -0.535 -8.121 1.00 54.24 H new ATOM 291 N SER A 20 -6.145 1.873 -7.172 1.00 11.12 N ATOM 292 CA SER A 20 -7.428 2.537 -6.969 1.00 63.44 C ATOM 293 C SER A 20 -8.017 2.176 -5.609 1.00 52.12 C ATOM 294 O SER A 20 -7.603 1.202 -4.978 1.00 54.44 O ATOM 295 CB SER A 20 -8.406 2.151 -8.080 1.00 72.15 C ATOM 296 OG SER A 20 -8.578 0.746 -8.144 1.00 21.33 O ATOM 0 H SER A 20 -6.062 0.967 -6.711 1.00 11.12 H new ATOM 0 HA SER A 20 -7.261 3.614 -6.999 1.00 63.44 H new ATOM 0 HB2 SER A 20 -9.369 2.631 -7.904 1.00 72.15 H new ATOM 0 HB3 SER A 20 -8.037 2.519 -9.037 1.00 72.15 H new ATOM 0 HG SER A 20 -9.209 0.526 -8.861 1.00 21.33 H new ATOM 302 N LEU A 21 -8.986 2.968 -5.163 1.00 20.11 N ATOM 303 CA LEU A 21 -9.634 2.734 -3.877 1.00 72.42 C ATOM 304 C LEU A 21 -10.413 1.422 -3.891 1.00 55.51 C ATOM 305 O LEU A 21 -10.888 0.981 -4.938 1.00 41.12 O ATOM 306 CB LEU A 21 -10.572 3.894 -3.538 1.00 23.35 C ATOM 307 CG LEU A 21 -11.526 3.664 -2.365 1.00 51.22 C ATOM 308 CD1 LEU A 21 -10.757 3.603 -1.055 1.00 0.13 C ATOM 309 CD2 LEU A 21 -12.582 4.759 -2.315 1.00 73.43 C ATOM 0 H LEU A 21 -9.340 3.777 -5.673 1.00 20.11 H new ATOM 0 HA LEU A 21 -8.859 2.667 -3.114 1.00 72.42 H new ATOM 0 HB2 LEU A 21 -9.966 4.774 -3.321 1.00 23.35 H new ATOM 0 HB3 LEU A 21 -11.165 4.126 -4.423 1.00 23.35 H new ATOM 0 HG LEU A 21 -12.028 2.708 -2.512 1.00 51.22 H new ATOM 0 HD11 LEU A 21 -11.453 3.439 -0.232 1.00 0.13 H new ATOM 0 HD12 LEU A 21 -10.039 2.784 -1.092 1.00 0.13 H new ATOM 0 HD13 LEU A 21 -10.227 4.543 -0.900 1.00 0.13 H new ATOM 0 HD21 LEU A 21 -13.252 4.580 -1.474 1.00 73.43 H new ATOM 0 HD22 LEU A 21 -12.097 5.727 -2.192 1.00 73.43 H new ATOM 0 HD23 LEU A 21 -13.154 4.755 -3.243 1.00 73.43 H new ATOM 321 N HIS A 22 -10.544 0.805 -2.721 1.00 64.11 N ATOM 322 CA HIS A 22 -11.268 -0.455 -2.598 1.00 53.02 C ATOM 323 C HIS A 22 -12.518 -0.282 -1.740 1.00 4.44 C ATOM 324 O HIS A 22 -12.492 0.410 -0.721 1.00 64.32 O ATOM 325 CB HIS A 22 -10.365 -1.530 -1.994 1.00 30.34 C ATOM 326 CG HIS A 22 -10.843 -2.927 -2.249 1.00 3.32 C ATOM 327 ND1 HIS A 22 -10.834 -3.913 -1.285 1.00 62.03 N ATOM 328 CD2 HIS A 22 -11.347 -3.499 -3.367 1.00 33.34 C ATOM 329 CE1 HIS A 22 -11.311 -5.032 -1.800 1.00 25.41 C ATOM 330 NE2 HIS A 22 -11.630 -4.808 -3.062 1.00 21.03 N ATOM 0 H HIS A 22 -10.158 1.157 -1.845 1.00 64.11 H new ATOM 0 HA HIS A 22 -11.574 -0.768 -3.596 1.00 53.02 H new ATOM 0 HB2 HIS A 22 -9.360 -1.419 -2.401 1.00 30.34 H new ATOM 0 HB3 HIS A 22 -10.293 -1.370 -0.918 1.00 30.34 H new ATOM 0 HD2 HIS A 22 -11.498 -3.016 -4.321 1.00 33.34 H new ATOM 0 HE1 HIS A 22 -11.421 -5.971 -1.278 1.00 25.41 H new ATOM 0 HE2 HIS A 22 -12.023 -5.495 -3.705 1.00 21.03 H new ATOM 338 N ASP A 23 -13.609 -0.913 -2.158 1.00 11.31 N ATOM 339 CA ASP A 23 -14.868 -0.829 -1.427 1.00 53.52 C ATOM 340 C ASP A 23 -14.738 -1.462 -0.046 1.00 12.15 C ATOM 341 O ASP A 23 -15.497 -1.142 0.869 1.00 13.40 O ATOM 342 CB ASP A 23 -15.986 -1.516 -2.214 1.00 2.54 C ATOM 343 CG ASP A 23 -16.980 -0.527 -2.791 1.00 44.11 C ATOM 344 OD1 ASP A 23 -16.568 0.314 -3.618 1.00 72.01 O ATOM 345 OD2 ASP A 23 -18.169 -0.595 -2.417 1.00 2.52 O ATOM 0 H ASP A 23 -13.647 -1.488 -2.999 1.00 11.31 H new ATOM 0 HA ASP A 23 -15.117 0.225 -1.301 1.00 53.52 H new ATOM 0 HB2 ASP A 23 -15.550 -2.102 -3.023 1.00 2.54 H new ATOM 0 HB3 ASP A 23 -16.510 -2.214 -1.561 1.00 2.54 H new ATOM 350 N SER A 24 -13.772 -2.363 0.098 1.00 4.12 N ATOM 351 CA SER A 24 -13.545 -3.045 1.367 1.00 71.11 C ATOM 352 C SER A 24 -12.625 -2.227 2.267 1.00 4.41 C ATOM 353 O SER A 24 -12.839 -2.137 3.475 1.00 15.14 O ATOM 354 CB SER A 24 -12.941 -4.430 1.125 1.00 51.21 C ATOM 355 OG SER A 24 -13.554 -5.067 0.018 1.00 74.32 O ATOM 0 H SER A 24 -13.134 -2.638 -0.648 1.00 4.12 H new ATOM 0 HA SER A 24 -14.507 -3.158 1.867 1.00 71.11 H new ATOM 0 HB2 SER A 24 -11.870 -4.337 0.948 1.00 51.21 H new ATOM 0 HB3 SER A 24 -13.064 -5.045 2.017 1.00 51.21 H new ATOM 0 HG SER A 24 -13.267 -6.003 -0.021 1.00 74.32 H new ATOM 361 N MET A 25 -11.598 -1.631 1.668 1.00 33.23 N ATOM 362 CA MET A 25 -10.645 -0.819 2.415 1.00 1.31 C ATOM 363 C MET A 25 -11.293 0.475 2.897 1.00 53.33 C ATOM 364 O MET A 25 -12.492 0.687 2.713 1.00 32.13 O ATOM 365 CB MET A 25 -9.425 -0.500 1.548 1.00 11.14 C ATOM 366 CG MET A 25 -9.635 0.682 0.615 1.00 22.42 C ATOM 367 SD MET A 25 -8.095 1.273 -0.113 1.00 51.22 S ATOM 368 CE MET A 25 -7.597 -0.161 -1.063 1.00 61.31 C ATOM 0 H MET A 25 -11.405 -1.695 0.668 1.00 33.23 H new ATOM 0 HA MET A 25 -10.324 -1.390 3.286 1.00 1.31 H new ATOM 0 HB2 MET A 25 -8.573 -0.294 2.196 1.00 11.14 H new ATOM 0 HB3 MET A 25 -9.170 -1.379 0.956 1.00 11.14 H new ATOM 0 HG2 MET A 25 -10.322 0.394 -0.181 1.00 22.42 H new ATOM 0 HG3 MET A 25 -10.108 1.495 1.166 1.00 22.42 H new ATOM 0 HE1 MET A 25 -6.512 -0.167 -1.171 1.00 61.31 H new ATOM 0 HE2 MET A 25 -7.916 -1.067 -0.548 1.00 61.31 H new ATOM 0 HE3 MET A 25 -8.059 -0.122 -2.049 1.00 61.31 H new ATOM 378 N LYS A 26 -10.494 1.338 3.514 1.00 44.41 N ATOM 379 CA LYS A 26 -10.989 2.613 4.022 1.00 65.55 C ATOM 380 C LYS A 26 -10.161 3.773 3.479 1.00 42.03 C ATOM 381 O LYS A 26 -10.698 4.831 3.150 1.00 1.25 O ATOM 382 CB LYS A 26 -10.958 2.622 5.552 1.00 43.04 C ATOM 383 CG LYS A 26 -12.328 2.785 6.187 1.00 61.45 C ATOM 384 CD LYS A 26 -12.420 2.046 7.511 1.00 3.44 C ATOM 385 CE LYS A 26 -13.847 2.018 8.036 1.00 11.42 C ATOM 386 NZ LYS A 26 -14.041 2.967 9.168 1.00 43.14 N ATOM 0 H LYS A 26 -9.500 1.178 3.675 1.00 44.41 H new ATOM 0 HA LYS A 26 -12.018 2.736 3.685 1.00 65.55 H new ATOM 0 HB2 LYS A 26 -10.512 1.691 5.904 1.00 43.04 H new ATOM 0 HB3 LYS A 26 -10.312 3.432 5.889 1.00 43.04 H new ATOM 0 HG2 LYS A 26 -12.533 3.844 6.345 1.00 61.45 H new ATOM 0 HG3 LYS A 26 -13.092 2.410 5.506 1.00 61.45 H new ATOM 0 HD2 LYS A 26 -12.057 1.026 7.385 1.00 3.44 H new ATOM 0 HD3 LYS A 26 -11.771 2.527 8.243 1.00 3.44 H new ATOM 0 HE2 LYS A 26 -14.536 2.269 7.229 1.00 11.42 H new ATOM 0 HE3 LYS A 26 -14.094 1.008 8.363 1.00 11.42 H new ATOM 0 HZ1 LYS A 26 -15.026 2.918 9.497 1.00 43.14 H new ATOM 0 HZ2 LYS A 26 -13.402 2.712 9.948 1.00 43.14 H new ATOM 0 HZ3 LYS A 26 -13.830 3.934 8.850 1.00 43.14 H new ATOM 400 N TYR A 27 -8.852 3.567 3.386 1.00 42.25 N ATOM 401 CA TYR A 27 -7.950 4.597 2.883 1.00 71.21 C ATOM 402 C TYR A 27 -6.933 4.004 1.912 1.00 14.01 C ATOM 403 O TYR A 27 -6.530 2.848 2.046 1.00 61.10 O ATOM 404 CB TYR A 27 -7.225 5.280 4.044 1.00 52.44 C ATOM 405 CG TYR A 27 -6.759 6.683 3.725 1.00 54.04 C ATOM 406 CD1 TYR A 27 -7.630 7.617 3.175 1.00 24.23 C ATOM 407 CD2 TYR A 27 -5.449 7.074 3.972 1.00 55.44 C ATOM 408 CE1 TYR A 27 -7.208 8.899 2.882 1.00 55.35 C ATOM 409 CE2 TYR A 27 -5.020 8.355 3.682 1.00 11.24 C ATOM 410 CZ TYR A 27 -5.903 9.264 3.137 1.00 31.24 C ATOM 411 OH TYR A 27 -5.479 10.540 2.847 1.00 42.24 O ATOM 0 H TYR A 27 -8.392 2.697 3.652 1.00 42.25 H new ATOM 0 HA TYR A 27 -8.546 5.337 2.349 1.00 71.21 H new ATOM 0 HB2 TYR A 27 -7.890 5.314 4.907 1.00 52.44 H new ATOM 0 HB3 TYR A 27 -6.364 4.676 4.329 1.00 52.44 H new ATOM 0 HD1 TYR A 27 -8.653 7.335 2.974 1.00 24.23 H new ATOM 0 HD2 TYR A 27 -4.754 6.365 4.398 1.00 55.44 H new ATOM 0 HE1 TYR A 27 -7.897 9.613 2.455 1.00 55.35 H new ATOM 0 HE2 TYR A 27 -3.998 8.643 3.881 1.00 11.24 H new ATOM 0 HH TYR A 27 -4.677 10.745 3.371 1.00 42.24 H new ATOM 421 N LEU A 28 -6.522 4.804 0.935 1.00 55.34 N ATOM 422 CA LEU A 28 -5.552 4.361 -0.060 1.00 62.01 C ATOM 423 C LEU A 28 -4.387 5.341 -0.159 1.00 52.00 C ATOM 424 O LEU A 28 -4.586 6.539 -0.363 1.00 64.32 O ATOM 425 CB LEU A 28 -6.224 4.211 -1.426 1.00 32.41 C ATOM 426 CG LEU A 28 -5.290 4.203 -2.637 1.00 12.14 C ATOM 427 CD1 LEU A 28 -4.150 3.219 -2.425 1.00 74.23 C ATOM 428 CD2 LEU A 28 -6.062 3.864 -3.903 1.00 51.35 C ATOM 0 H LEU A 28 -6.845 5.763 0.810 1.00 55.34 H new ATOM 0 HA LEU A 28 -5.163 3.393 0.255 1.00 62.01 H new ATOM 0 HB2 LEU A 28 -6.796 3.283 -1.427 1.00 32.41 H new ATOM 0 HB3 LEU A 28 -6.938 5.025 -1.549 1.00 32.41 H new ATOM 0 HG LEU A 28 -4.865 5.200 -2.751 1.00 12.14 H new ATOM 0 HD11 LEU A 28 -3.496 3.227 -3.297 1.00 74.23 H new ATOM 0 HD12 LEU A 28 -3.581 3.507 -1.541 1.00 74.23 H new ATOM 0 HD13 LEU A 28 -4.556 2.217 -2.285 1.00 74.23 H new ATOM 0 HD21 LEU A 28 -5.382 3.863 -4.755 1.00 51.35 H new ATOM 0 HD22 LEU A 28 -6.516 2.878 -3.800 1.00 51.35 H new ATOM 0 HD23 LEU A 28 -6.843 4.608 -4.063 1.00 51.35 H new ATOM 440 N VAL A 29 -3.171 4.824 -0.015 1.00 32.30 N ATOM 441 CA VAL A 29 -1.974 5.652 -0.091 1.00 40.25 C ATOM 442 C VAL A 29 -0.857 4.936 -0.842 1.00 21.21 C ATOM 443 O VAL A 29 -0.436 3.845 -0.456 1.00 73.34 O ATOM 444 CB VAL A 29 -1.469 6.040 1.311 1.00 20.31 C ATOM 445 CG1 VAL A 29 -0.191 6.858 1.211 1.00 3.13 C ATOM 446 CG2 VAL A 29 -2.543 6.803 2.071 1.00 2.43 C ATOM 0 H VAL A 29 -2.989 3.835 0.155 1.00 32.30 H new ATOM 0 HA VAL A 29 -2.250 6.557 -0.632 1.00 40.25 H new ATOM 0 HB VAL A 29 -1.245 5.127 1.863 1.00 20.31 H new ATOM 0 HG11 VAL A 29 0.151 7.123 2.212 1.00 3.13 H new ATOM 0 HG12 VAL A 29 0.578 6.271 0.708 1.00 3.13 H new ATOM 0 HG13 VAL A 29 -0.384 7.767 0.641 1.00 3.13 H new ATOM 0 HG21 VAL A 29 -2.169 7.069 3.060 1.00 2.43 H new ATOM 0 HG22 VAL A 29 -2.801 7.710 1.524 1.00 2.43 H new ATOM 0 HG23 VAL A 29 -3.429 6.177 2.175 1.00 2.43 H new ATOM 456 N TYR A 30 -0.380 5.557 -1.915 1.00 20.50 N ATOM 457 CA TYR A 30 0.688 4.977 -2.721 1.00 52.45 C ATOM 458 C TYR A 30 1.490 6.067 -3.426 1.00 61.14 C ATOM 459 O TYR A 30 0.964 7.133 -3.742 1.00 52.53 O ATOM 460 CB TYR A 30 0.108 4.008 -3.752 1.00 61.55 C ATOM 461 CG TYR A 30 -0.546 4.695 -4.930 1.00 25.10 C ATOM 462 CD1 TYR A 30 0.199 5.067 -6.043 1.00 12.33 C ATOM 463 CD2 TYR A 30 -1.907 4.973 -4.930 1.00 22.04 C ATOM 464 CE1 TYR A 30 -0.394 5.696 -7.121 1.00 2.24 C ATOM 465 CE2 TYR A 30 -2.508 5.600 -6.004 1.00 0.14 C ATOM 466 CZ TYR A 30 -1.747 5.960 -7.097 1.00 34.15 C ATOM 467 OH TYR A 30 -2.342 6.586 -8.168 1.00 13.12 O ATOM 0 H TYR A 30 -0.716 6.461 -2.247 1.00 20.50 H new ATOM 0 HA TYR A 30 1.357 4.431 -2.055 1.00 52.45 H new ATOM 0 HB2 TYR A 30 0.905 3.360 -4.117 1.00 61.55 H new ATOM 0 HB3 TYR A 30 -0.626 3.367 -3.263 1.00 61.55 H new ATOM 0 HD1 TYR A 30 1.259 4.861 -6.066 1.00 12.33 H new ATOM 0 HD2 TYR A 30 -2.506 4.694 -4.075 1.00 22.04 H new ATOM 0 HE1 TYR A 30 0.199 5.979 -7.978 1.00 2.24 H new ATOM 0 HE2 TYR A 30 -3.568 5.807 -5.988 1.00 0.14 H new ATOM 0 HH TYR A 30 -3.300 6.697 -7.992 1.00 13.12 H new ATOM 477 N GLN A 31 2.767 5.789 -3.670 1.00 32.42 N ATOM 478 CA GLN A 31 3.643 6.744 -4.337 1.00 54.43 C ATOM 479 C GLN A 31 4.463 6.062 -5.427 1.00 53.12 C ATOM 480 O GLN A 31 4.657 4.846 -5.404 1.00 40.24 O ATOM 481 CB GLN A 31 4.574 7.410 -3.323 1.00 22.54 C ATOM 482 CG GLN A 31 3.909 7.705 -1.988 1.00 73.02 C ATOM 483 CD GLN A 31 4.793 8.517 -1.062 1.00 55.44 C ATOM 484 OE1 GLN A 31 5.693 9.228 -1.510 1.00 70.13 O ATOM 485 NE2 GLN A 31 4.539 8.417 0.237 1.00 25.12 N ATOM 0 H GLN A 31 3.217 4.910 -3.416 1.00 32.42 H new ATOM 0 HA GLN A 31 3.019 7.507 -4.802 1.00 54.43 H new ATOM 0 HB2 GLN A 31 5.436 6.764 -3.155 1.00 22.54 H new ATOM 0 HB3 GLN A 31 4.951 8.342 -3.745 1.00 22.54 H new ATOM 0 HG2 GLN A 31 2.978 8.245 -2.162 1.00 73.02 H new ATOM 0 HG3 GLN A 31 3.646 6.765 -1.502 1.00 73.02 H new ATOM 0 HE21 GLN A 31 3.783 7.815 0.564 1.00 25.12 H new ATOM 0 HE22 GLN A 31 5.100 8.942 0.908 1.00 25.12 H new ATOM 494 N THR A 32 4.942 6.853 -6.383 1.00 23.44 N ATOM 495 CA THR A 32 5.740 6.325 -7.482 1.00 41.12 C ATOM 496 C THR A 32 7.230 6.413 -7.172 1.00 40.33 C ATOM 497 O THR A 32 7.714 7.439 -6.694 1.00 74.23 O ATOM 498 CB THR A 32 5.455 7.079 -8.795 1.00 71.41 C ATOM 499 OG1 THR A 32 4.178 7.722 -8.723 1.00 53.12 O ATOM 500 CG2 THR A 32 5.483 6.127 -9.982 1.00 41.40 C ATOM 0 H THR A 32 4.791 7.861 -6.418 1.00 23.44 H new ATOM 0 HA THR A 32 5.458 5.279 -7.603 1.00 41.12 H new ATOM 0 HB THR A 32 6.232 7.830 -8.933 1.00 71.41 H new ATOM 0 HG1 THR A 32 3.998 8.187 -9.567 1.00 53.12 H new ATOM 0 HG21 THR A 32 5.279 6.681 -10.898 1.00 41.40 H new ATOM 0 HG22 THR A 32 6.466 5.661 -10.051 1.00 41.40 H new ATOM 0 HG23 THR A 32 4.724 5.356 -9.848 1.00 41.40 H new ATOM 508 N GLU A 33 7.952 5.332 -7.448 1.00 63.14 N ATOM 509 CA GLU A 33 9.388 5.289 -7.198 1.00 62.13 C ATOM 510 C GLU A 33 10.137 4.754 -8.416 1.00 33.44 C ATOM 511 O GLU A 33 9.529 4.229 -9.349 1.00 2.53 O ATOM 512 CB GLU A 33 9.690 4.418 -5.977 1.00 32.11 C ATOM 513 CG GLU A 33 9.446 5.122 -4.652 1.00 65.44 C ATOM 514 CD GLU A 33 7.987 5.475 -4.439 1.00 4.00 C ATOM 515 OE1 GLU A 33 7.136 4.568 -4.550 1.00 13.31 O ATOM 516 OE2 GLU A 33 7.697 6.657 -4.161 1.00 41.35 O ATOM 0 H GLU A 33 7.567 4.475 -7.844 1.00 63.14 H new ATOM 0 HA GLU A 33 9.727 6.306 -7.002 1.00 62.13 H new ATOM 0 HB2 GLU A 33 9.074 3.520 -6.021 1.00 32.11 H new ATOM 0 HB3 GLU A 33 10.730 4.094 -6.021 1.00 32.11 H new ATOM 0 HG2 GLU A 33 9.784 4.482 -3.837 1.00 65.44 H new ATOM 0 HG3 GLU A 33 10.046 6.031 -4.612 1.00 65.44 H new ATOM 523 N GLN A 34 11.459 4.891 -8.398 1.00 34.24 N ATOM 524 CA GLN A 34 12.290 4.422 -9.500 1.00 51.41 C ATOM 525 C GLN A 34 12.515 2.917 -9.411 1.00 31.45 C ATOM 526 O GLN A 34 13.181 2.432 -8.497 1.00 31.41 O ATOM 527 CB GLN A 34 13.634 5.152 -9.499 1.00 23.13 C ATOM 528 CG GLN A 34 13.799 6.126 -10.654 1.00 62.11 C ATOM 529 CD GLN A 34 15.038 5.846 -11.481 1.00 63.34 C ATOM 530 OE1 GLN A 34 16.158 5.866 -10.970 1.00 1.32 O ATOM 531 NE2 GLN A 34 14.844 5.581 -12.768 1.00 40.31 N ATOM 0 H GLN A 34 11.977 5.323 -7.633 1.00 34.24 H new ATOM 0 HA GLN A 34 11.768 4.637 -10.432 1.00 51.41 H new ATOM 0 HB2 GLN A 34 13.743 5.694 -8.560 1.00 23.13 H new ATOM 0 HB3 GLN A 34 14.437 4.416 -9.538 1.00 23.13 H new ATOM 0 HG2 GLN A 34 12.919 6.075 -11.296 1.00 62.11 H new ATOM 0 HG3 GLN A 34 13.850 7.142 -10.263 1.00 62.11 H new ATOM 0 HE21 GLN A 34 13.898 5.575 -13.151 1.00 40.31 H new ATOM 0 HE22 GLN A 34 15.641 5.384 -13.374 1.00 40.31 H new ATOM 540 N GLY A 35 11.954 2.181 -10.366 1.00 10.31 N ATOM 541 CA GLY A 35 12.104 0.738 -10.376 1.00 25.12 C ATOM 542 C GLY A 35 13.548 0.307 -10.546 1.00 33.43 C ATOM 543 O GLY A 35 14.460 1.130 -10.480 1.00 55.22 O ATOM 0 H GLY A 35 11.398 2.559 -11.133 1.00 10.31 H new ATOM 0 HA2 GLY A 35 11.713 0.329 -9.445 1.00 25.12 H new ATOM 0 HA3 GLY A 35 11.505 0.319 -11.185 1.00 25.12 H new ATOM 547 N GLU A 36 13.755 -0.988 -10.763 1.00 21.40 N ATOM 548 CA GLU A 36 15.099 -1.527 -10.940 1.00 55.01 C ATOM 549 C GLU A 36 15.464 -1.603 -12.420 1.00 15.11 C ATOM 550 O GLU A 36 16.376 -2.331 -12.808 1.00 62.33 O ATOM 551 CB GLU A 36 15.203 -2.916 -10.306 1.00 1.52 C ATOM 552 CG GLU A 36 14.075 -3.229 -9.337 1.00 42.32 C ATOM 553 CD GLU A 36 14.321 -4.500 -8.547 1.00 54.42 C ATOM 554 OE1 GLU A 36 14.911 -5.444 -9.113 1.00 34.14 O ATOM 555 OE2 GLU A 36 13.923 -4.550 -7.365 1.00 33.12 O ATOM 0 H GLU A 36 13.010 -1.683 -10.820 1.00 21.40 H new ATOM 0 HA GLU A 36 15.800 -0.856 -10.444 1.00 55.01 H new ATOM 0 HB2 GLU A 36 15.211 -3.667 -11.096 1.00 1.52 H new ATOM 0 HB3 GLU A 36 16.155 -2.996 -9.781 1.00 1.52 H new ATOM 0 HG2 GLU A 36 13.952 -2.395 -8.647 1.00 42.32 H new ATOM 0 HG3 GLU A 36 13.141 -3.325 -9.891 1.00 42.32 H new ATOM 562 N ALA A 37 14.743 -0.846 -13.241 1.00 1.55 N ATOM 563 CA ALA A 37 14.991 -0.825 -14.677 1.00 23.23 C ATOM 564 C ALA A 37 14.253 0.330 -15.345 1.00 62.31 C ATOM 565 O ALA A 37 13.762 1.237 -14.674 1.00 64.23 O ATOM 566 CB ALA A 37 14.580 -2.150 -15.302 1.00 52.33 C ATOM 0 H ALA A 37 13.982 -0.239 -12.936 1.00 1.55 H new ATOM 0 HA ALA A 37 16.059 -0.677 -14.835 1.00 23.23 H new ATOM 0 HB1 ALA A 37 14.770 -2.121 -16.375 1.00 52.33 H new ATOM 0 HB2 ALA A 37 15.157 -2.959 -14.853 1.00 52.33 H new ATOM 0 HB3 ALA A 37 13.518 -2.321 -15.127 1.00 52.33 H new ATOM 572 N GLY A 38 14.179 0.290 -16.672 1.00 70.11 N ATOM 573 CA GLY A 38 13.500 1.340 -17.409 1.00 33.41 C ATOM 574 C GLY A 38 12.111 1.621 -16.870 1.00 22.00 C ATOM 575 O GLY A 38 11.615 2.742 -16.969 1.00 5.53 O ATOM 0 H GLY A 38 14.577 -0.451 -17.250 1.00 70.11 H new ATOM 0 HA2 GLY A 38 14.095 2.253 -17.366 1.00 33.41 H new ATOM 0 HA3 GLY A 38 13.428 1.055 -18.459 1.00 33.41 H new ATOM 579 N ASN A 39 11.481 0.599 -16.299 1.00 42.15 N ATOM 580 CA ASN A 39 10.140 0.742 -15.745 1.00 31.51 C ATOM 581 C ASN A 39 10.196 1.262 -14.312 1.00 23.43 C ATOM 582 O ASN A 39 11.274 1.401 -13.733 1.00 44.14 O ATOM 583 CB ASN A 39 9.404 -0.599 -15.784 1.00 63.52 C ATOM 584 CG ASN A 39 9.753 -1.415 -17.014 1.00 44.44 C ATOM 585 OD1 ASN A 39 9.279 -1.133 -18.115 1.00 13.33 O ATOM 586 ND2 ASN A 39 10.587 -2.432 -16.833 1.00 22.13 N ATOM 0 H ASN A 39 11.878 -0.336 -16.208 1.00 42.15 H new ATOM 0 HA ASN A 39 9.597 1.465 -16.354 1.00 31.51 H new ATOM 0 HB2 ASN A 39 9.650 -1.172 -14.890 1.00 63.52 H new ATOM 0 HB3 ASN A 39 8.329 -0.421 -15.763 1.00 63.52 H new ATOM 0 HD21 ASN A 39 10.859 -3.016 -17.624 1.00 22.13 H new ATOM 0 HD22 ASN A 39 10.956 -2.630 -15.903 1.00 22.13 H new ATOM 593 N ILE A 40 9.029 1.546 -13.745 1.00 34.20 N ATOM 594 CA ILE A 40 8.945 2.049 -12.379 1.00 61.54 C ATOM 595 C ILE A 40 8.131 1.109 -11.497 1.00 32.05 C ATOM 596 O ILE A 40 7.430 0.226 -11.992 1.00 30.32 O ATOM 597 CB ILE A 40 8.314 3.453 -12.334 1.00 62.21 C ATOM 598 CG1 ILE A 40 7.113 3.527 -13.279 1.00 32.33 C ATOM 599 CG2 ILE A 40 9.347 4.509 -12.698 1.00 12.31 C ATOM 600 CD1 ILE A 40 6.446 4.884 -13.302 1.00 55.05 C ATOM 0 H ILE A 40 8.128 1.436 -14.210 1.00 34.20 H new ATOM 0 HA ILE A 40 9.965 2.106 -12.000 1.00 61.54 H new ATOM 0 HB ILE A 40 7.966 3.647 -11.319 1.00 62.21 H new ATOM 0 HG12 ILE A 40 7.439 3.274 -14.288 1.00 32.33 H new ATOM 0 HG13 ILE A 40 6.381 2.776 -12.983 1.00 32.33 H new ATOM 0 HG21 ILE A 40 8.886 5.496 -12.662 1.00 12.31 H new ATOM 0 HG22 ILE A 40 10.174 4.468 -11.989 1.00 12.31 H new ATOM 0 HG23 ILE A 40 9.722 4.320 -13.704 1.00 12.31 H new ATOM 0 HD11 ILE A 40 5.603 4.863 -13.993 1.00 55.05 H new ATOM 0 HD12 ILE A 40 6.090 5.131 -12.302 1.00 55.05 H new ATOM 0 HD13 ILE A 40 7.164 5.637 -13.628 1.00 55.05 H new ATOM 612 N HIS A 41 8.227 1.306 -10.185 1.00 55.34 N ATOM 613 CA HIS A 41 7.497 0.478 -9.232 1.00 74.13 C ATOM 614 C HIS A 41 6.674 1.341 -8.280 1.00 41.24 C ATOM 615 O HIS A 41 6.932 2.536 -8.130 1.00 31.44 O ATOM 616 CB HIS A 41 8.466 -0.397 -8.437 1.00 43.22 C ATOM 617 CG HIS A 41 9.590 0.371 -7.812 1.00 30.34 C ATOM 618 ND1 HIS A 41 10.701 -0.234 -7.262 1.00 74.43 N ATOM 619 CD2 HIS A 41 9.771 1.703 -7.651 1.00 62.55 C ATOM 620 CE1 HIS A 41 11.516 0.692 -6.790 1.00 35.22 C ATOM 621 NE2 HIS A 41 10.975 1.876 -7.014 1.00 31.01 N ATOM 0 H HIS A 41 8.803 2.032 -9.758 1.00 55.34 H new ATOM 0 HA HIS A 41 6.817 -0.163 -9.793 1.00 74.13 H new ATOM 0 HB2 HIS A 41 7.914 -0.919 -7.655 1.00 43.22 H new ATOM 0 HB3 HIS A 41 8.880 -1.159 -9.097 1.00 43.22 H new ATOM 0 HD1 HIS A 41 10.867 -1.240 -7.226 1.00 74.43 H new ATOM 0 HD2 HIS A 41 9.094 2.484 -7.965 1.00 62.55 H new ATOM 0 HE1 HIS A 41 12.463 0.512 -6.304 1.00 35.22 H new ATOM 629 N PHE A 42 5.683 0.729 -7.641 1.00 51.10 N ATOM 630 CA PHE A 42 4.821 1.442 -6.705 1.00 44.01 C ATOM 631 C PHE A 42 5.063 0.969 -5.275 1.00 31.53 C ATOM 632 O PHE A 42 5.289 -0.217 -5.033 1.00 12.32 O ATOM 633 CB PHE A 42 3.351 1.243 -7.079 1.00 22.41 C ATOM 634 CG PHE A 42 2.896 2.119 -8.211 1.00 65.41 C ATOM 635 CD1 PHE A 42 3.653 2.228 -9.367 1.00 0.33 C ATOM 636 CD2 PHE A 42 1.713 2.833 -8.120 1.00 34.34 C ATOM 637 CE1 PHE A 42 3.237 3.033 -10.411 1.00 3.24 C ATOM 638 CE2 PHE A 42 1.292 3.639 -9.160 1.00 74.23 C ATOM 639 CZ PHE A 42 2.055 3.740 -10.307 1.00 4.23 C ATOM 0 H PHE A 42 5.457 -0.259 -7.754 1.00 51.10 H new ATOM 0 HA PHE A 42 5.062 2.503 -6.764 1.00 44.01 H new ATOM 0 HB2 PHE A 42 3.192 0.200 -7.351 1.00 22.41 H new ATOM 0 HB3 PHE A 42 2.732 1.442 -6.204 1.00 22.41 H new ATOM 0 HD1 PHE A 42 4.578 1.678 -9.453 1.00 0.33 H new ATOM 0 HD2 PHE A 42 1.112 2.759 -7.225 1.00 34.34 H new ATOM 0 HE1 PHE A 42 3.835 3.109 -11.307 1.00 3.24 H new ATOM 0 HE2 PHE A 42 0.367 4.190 -9.076 1.00 74.23 H new ATOM 0 HZ PHE A 42 1.728 4.370 -11.121 1.00 4.23 H new ATOM 649 N GLN A 43 5.014 1.904 -4.332 1.00 12.01 N ATOM 650 CA GLN A 43 5.228 1.583 -2.926 1.00 22.22 C ATOM 651 C GLN A 43 4.395 2.490 -2.027 1.00 13.01 C ATOM 652 O GLN A 43 4.396 3.710 -2.186 1.00 65.13 O ATOM 653 CB GLN A 43 6.710 1.715 -2.571 1.00 2.41 C ATOM 654 CG GLN A 43 7.413 0.380 -2.385 1.00 42.43 C ATOM 655 CD GLN A 43 8.824 0.382 -2.941 1.00 31.54 C ATOM 656 OE1 GLN A 43 9.799 0.336 -2.190 1.00 31.40 O ATOM 657 NE2 GLN A 43 8.940 0.434 -4.262 1.00 40.14 N ATOM 0 H GLN A 43 4.828 2.890 -4.516 1.00 12.01 H new ATOM 0 HA GLN A 43 4.913 0.552 -2.763 1.00 22.22 H new ATOM 0 HB2 GLN A 43 7.215 2.275 -3.358 1.00 2.41 H new ATOM 0 HB3 GLN A 43 6.805 2.297 -1.654 1.00 2.41 H new ATOM 0 HG2 GLN A 43 7.445 0.135 -1.323 1.00 42.43 H new ATOM 0 HG3 GLN A 43 6.834 -0.403 -2.875 1.00 42.43 H new ATOM 0 HE21 GLN A 43 8.105 0.471 -4.846 1.00 40.14 H new ATOM 0 HE22 GLN A 43 9.864 0.437 -4.693 1.00 40.14 H new ATOM 666 N GLY A 44 3.682 1.885 -1.081 1.00 41.21 N ATOM 667 CA GLY A 44 2.853 2.654 -0.171 1.00 62.22 C ATOM 668 C GLY A 44 2.187 1.787 0.879 1.00 61.01 C ATOM 669 O GLY A 44 2.497 0.602 1.003 1.00 20.14 O ATOM 0 H GLY A 44 3.664 0.877 -0.929 1.00 41.21 H new ATOM 0 HA2 GLY A 44 3.464 3.411 0.321 1.00 62.22 H new ATOM 0 HA3 GLY A 44 2.088 3.183 -0.740 1.00 62.22 H new ATOM 673 N TYR A 45 1.271 2.378 1.637 1.00 11.34 N ATOM 674 CA TYR A 45 0.562 1.653 2.685 1.00 2.22 C ATOM 675 C TYR A 45 -0.947 1.722 2.470 1.00 23.13 C ATOM 676 O TYR A 45 -1.489 2.773 2.128 1.00 3.44 O ATOM 677 CB TYR A 45 0.919 2.222 4.059 1.00 3.33 C ATOM 678 CG TYR A 45 0.833 3.730 4.131 1.00 3.22 C ATOM 679 CD1 TYR A 45 -0.380 4.366 4.366 1.00 62.13 C ATOM 680 CD2 TYR A 45 1.965 4.519 3.964 1.00 54.22 C ATOM 681 CE1 TYR A 45 -0.464 5.743 4.432 1.00 45.35 C ATOM 682 CE2 TYR A 45 1.891 5.897 4.029 1.00 15.05 C ATOM 683 CZ TYR A 45 0.674 6.504 4.263 1.00 4.43 C ATOM 684 OH TYR A 45 0.596 7.877 4.328 1.00 23.30 O ATOM 0 H TYR A 45 1.002 3.358 1.546 1.00 11.34 H new ATOM 0 HA TYR A 45 0.870 0.608 2.641 1.00 2.22 H new ATOM 0 HB2 TYR A 45 0.251 1.792 4.806 1.00 3.33 H new ATOM 0 HB3 TYR A 45 1.931 1.911 4.320 1.00 3.33 H new ATOM 0 HD1 TYR A 45 -1.273 3.773 4.499 1.00 62.13 H new ATOM 0 HD2 TYR A 45 2.919 4.047 3.780 1.00 54.22 H new ATOM 0 HE1 TYR A 45 -1.415 6.221 4.615 1.00 45.35 H new ATOM 0 HE2 TYR A 45 2.780 6.496 3.897 1.00 15.05 H new ATOM 0 HH TYR A 45 1.486 8.262 4.189 1.00 23.30 H new ATOM 694 N ILE A 46 -1.619 0.594 2.674 1.00 25.11 N ATOM 695 CA ILE A 46 -3.065 0.525 2.505 1.00 43.42 C ATOM 696 C ILE A 46 -3.733 -0.094 3.728 1.00 65.55 C ATOM 697 O ILE A 46 -3.329 -1.160 4.193 1.00 13.54 O ATOM 698 CB ILE A 46 -3.447 -0.291 1.256 1.00 53.51 C ATOM 699 CG1 ILE A 46 -2.803 0.315 0.007 1.00 13.31 C ATOM 700 CG2 ILE A 46 -4.960 -0.348 1.104 1.00 40.13 C ATOM 701 CD1 ILE A 46 -2.799 -0.617 -1.184 1.00 34.53 C ATOM 0 H ILE A 46 -1.185 -0.285 2.957 1.00 25.11 H new ATOM 0 HA ILE A 46 -3.418 1.549 2.382 1.00 43.42 H new ATOM 0 HB ILE A 46 -3.074 -1.308 1.376 1.00 53.51 H new ATOM 0 HG12 ILE A 46 -3.335 1.229 -0.259 1.00 13.31 H new ATOM 0 HG13 ILE A 46 -1.777 0.599 0.239 1.00 13.31 H new ATOM 0 HG21 ILE A 46 -5.215 -0.928 0.217 1.00 40.13 H new ATOM 0 HG22 ILE A 46 -5.397 -0.820 1.984 1.00 40.13 H new ATOM 0 HG23 ILE A 46 -5.354 0.663 1.002 1.00 40.13 H new ATOM 0 HD11 ILE A 46 -2.328 -0.121 -2.032 1.00 34.53 H new ATOM 0 HD12 ILE A 46 -2.242 -1.521 -0.937 1.00 34.53 H new ATOM 0 HD13 ILE A 46 -3.824 -0.882 -1.442 1.00 34.53 H new ATOM 713 N GLU A 47 -4.757 0.579 4.241 1.00 50.41 N ATOM 714 CA GLU A 47 -5.482 0.093 5.409 1.00 4.32 C ATOM 715 C GLU A 47 -6.835 -0.487 5.008 1.00 43.23 C ATOM 716 O GLU A 47 -7.680 0.212 4.450 1.00 73.12 O ATOM 717 CB GLU A 47 -5.679 1.224 6.421 1.00 32.12 C ATOM 718 CG GLU A 47 -4.383 1.892 6.848 1.00 21.35 C ATOM 719 CD GLU A 47 -4.577 3.343 7.244 1.00 61.24 C ATOM 720 OE1 GLU A 47 -4.505 4.214 6.352 1.00 51.41 O ATOM 721 OE2 GLU A 47 -4.800 3.607 8.443 1.00 30.14 O ATOM 0 H GLU A 47 -5.104 1.462 3.867 1.00 50.41 H new ATOM 0 HA GLU A 47 -4.890 -0.698 5.869 1.00 4.32 H new ATOM 0 HB2 GLU A 47 -6.340 1.975 5.989 1.00 32.12 H new ATOM 0 HB3 GLU A 47 -6.181 0.827 7.303 1.00 32.12 H new ATOM 0 HG2 GLU A 47 -3.956 1.344 7.688 1.00 21.35 H new ATOM 0 HG3 GLU A 47 -3.663 1.835 6.031 1.00 21.35 H new ATOM 728 N MET A 48 -7.031 -1.769 5.295 1.00 21.34 N ATOM 729 CA MET A 48 -8.281 -2.444 4.965 1.00 50.30 C ATOM 730 C MET A 48 -9.354 -2.141 6.007 1.00 64.44 C ATOM 731 O MET A 48 -9.113 -1.407 6.965 1.00 33.45 O ATOM 732 CB MET A 48 -8.060 -3.954 4.867 1.00 30.41 C ATOM 733 CG MET A 48 -7.186 -4.366 3.694 1.00 42.24 C ATOM 734 SD MET A 48 -8.106 -5.244 2.416 1.00 34.20 S ATOM 735 CE MET A 48 -8.813 -3.873 1.505 1.00 62.42 C ATOM 0 H MET A 48 -6.340 -2.362 5.755 1.00 21.34 H new ATOM 0 HA MET A 48 -8.622 -2.071 3.999 1.00 50.30 H new ATOM 0 HB2 MET A 48 -7.603 -4.307 5.791 1.00 30.41 H new ATOM 0 HB3 MET A 48 -9.027 -4.449 4.780 1.00 30.41 H new ATOM 0 HG2 MET A 48 -6.726 -3.479 3.260 1.00 42.24 H new ATOM 0 HG3 MET A 48 -6.377 -5.001 4.054 1.00 42.24 H new ATOM 0 HE1 MET A 48 -9.873 -3.786 1.743 1.00 62.42 H new ATOM 0 HE2 MET A 48 -8.302 -2.951 1.781 1.00 62.42 H new ATOM 0 HE3 MET A 48 -8.694 -4.047 0.436 1.00 62.42 H new ATOM 745 N LYS A 49 -10.538 -2.711 5.812 1.00 30.43 N ATOM 746 CA LYS A 49 -11.648 -2.504 6.735 1.00 61.31 C ATOM 747 C LYS A 49 -11.238 -2.845 8.164 1.00 11.32 C ATOM 748 O LYS A 49 -11.261 -1.988 9.048 1.00 21.25 O ATOM 749 CB LYS A 49 -12.849 -3.358 6.320 1.00 3.34 C ATOM 750 CG LYS A 49 -14.189 -2.715 6.634 1.00 22.31 C ATOM 751 CD LYS A 49 -14.383 -1.423 5.859 1.00 5.33 C ATOM 752 CE LYS A 49 -15.392 -1.593 4.734 1.00 31.15 C ATOM 753 NZ LYS A 49 -16.697 -0.953 5.059 1.00 70.03 N ATOM 0 H LYS A 49 -10.754 -3.320 5.023 1.00 30.43 H new ATOM 0 HA LYS A 49 -11.928 -1.451 6.697 1.00 61.31 H new ATOM 0 HB2 LYS A 49 -12.792 -3.555 5.249 1.00 3.34 H new ATOM 0 HB3 LYS A 49 -12.791 -4.322 6.825 1.00 3.34 H new ATOM 0 HG2 LYS A 49 -14.993 -3.410 6.391 1.00 22.31 H new ATOM 0 HG3 LYS A 49 -14.255 -2.512 7.703 1.00 22.31 H new ATOM 0 HD2 LYS A 49 -14.721 -0.639 6.536 1.00 5.33 H new ATOM 0 HD3 LYS A 49 -13.428 -1.098 5.446 1.00 5.33 H new ATOM 0 HE2 LYS A 49 -14.992 -1.158 3.818 1.00 31.15 H new ATOM 0 HE3 LYS A 49 -15.546 -2.655 4.541 1.00 31.15 H new ATOM 0 HZ1 LYS A 49 -17.358 -1.091 4.268 1.00 70.03 H new ATOM 0 HZ2 LYS A 49 -17.091 -1.386 5.919 1.00 70.03 H new ATOM 0 HZ3 LYS A 49 -16.554 0.065 5.218 1.00 70.03 H new ATOM 767 N LYS A 50 -10.862 -4.100 8.384 1.00 51.00 N ATOM 768 CA LYS A 50 -10.444 -4.554 9.705 1.00 0.21 C ATOM 769 C LYS A 50 -10.005 -6.014 9.665 1.00 33.20 C ATOM 770 O LYS A 50 -8.812 -6.315 9.702 1.00 11.24 O ATOM 771 CB LYS A 50 -11.584 -4.380 10.711 1.00 31.11 C ATOM 772 CG LYS A 50 -11.360 -3.244 11.694 1.00 54.55 C ATOM 773 CD LYS A 50 -10.676 -3.728 12.961 1.00 61.34 C ATOM 774 CE LYS A 50 -11.688 -4.157 14.012 1.00 72.44 C ATOM 775 NZ LYS A 50 -11.083 -5.061 15.029 1.00 45.23 N ATOM 0 H LYS A 50 -10.838 -4.822 7.664 1.00 51.00 H new ATOM 0 HA LYS A 50 -9.595 -3.947 10.019 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -12.512 -4.202 10.168 1.00 31.11 H new ATOM 0 HB3 LYS A 50 -11.713 -5.309 11.266 1.00 31.11 H new ATOM 0 HG2 LYS A 50 -10.752 -2.470 11.225 1.00 54.55 H new ATOM 0 HG3 LYS A 50 -12.317 -2.788 11.948 1.00 54.55 H new ATOM 0 HD2 LYS A 50 -10.019 -4.565 12.724 1.00 61.34 H new ATOM 0 HD3 LYS A 50 -10.047 -2.933 13.363 1.00 61.34 H new ATOM 0 HE2 LYS A 50 -12.094 -3.275 14.506 1.00 72.44 H new ATOM 0 HE3 LYS A 50 -12.523 -4.663 13.527 1.00 72.44 H new ATOM 0 HZ1 LYS A 50 -11.805 -5.331 15.727 1.00 45.23 H new ATOM 0 HZ2 LYS A 50 -10.718 -5.915 14.561 1.00 45.23 H new ATOM 0 HZ3 LYS A 50 -10.303 -4.570 15.510 1.00 45.23 H new ATOM 789 N ARG A 51 -10.977 -6.917 9.587 1.00 32.34 N ATOM 790 CA ARG A 51 -10.691 -8.346 9.542 1.00 64.11 C ATOM 791 C ARG A 51 -10.484 -8.814 8.104 1.00 3.52 C ATOM 792 O ARG A 51 -11.080 -9.799 7.668 1.00 41.22 O ATOM 793 CB ARG A 51 -11.830 -9.137 10.188 1.00 64.22 C ATOM 794 CG ARG A 51 -11.417 -10.520 10.665 1.00 5.23 C ATOM 795 CD ARG A 51 -12.468 -11.131 11.579 1.00 45.32 C ATOM 796 NE ARG A 51 -11.874 -11.737 12.767 1.00 1.05 N ATOM 797 CZ ARG A 51 -11.492 -11.043 13.834 1.00 54.11 C ATOM 798 NH1 ARG A 51 -11.642 -9.726 13.860 1.00 12.21 N ATOM 799 NH2 ARG A 51 -10.960 -11.666 14.877 1.00 32.43 N ATOM 0 H ARG A 51 -11.970 -6.684 9.554 1.00 32.34 H new ATOM 0 HA ARG A 51 -9.772 -8.525 10.100 1.00 64.11 H new ATOM 0 HB2 ARG A 51 -12.219 -8.571 11.034 1.00 64.22 H new ATOM 0 HB3 ARG A 51 -12.644 -9.238 9.470 1.00 64.22 H new ATOM 0 HG2 ARG A 51 -11.259 -11.171 9.805 1.00 5.23 H new ATOM 0 HG3 ARG A 51 -10.466 -10.455 11.194 1.00 5.23 H new ATOM 0 HD2 ARG A 51 -13.178 -10.361 11.881 1.00 45.32 H new ATOM 0 HD3 ARG A 51 -13.031 -11.886 11.030 1.00 45.32 H new ATOM 0 HE ARG A 51 -11.745 -12.749 12.779 1.00 1.05 H new ATOM 0 HH11 ARG A 51 -12.051 -9.243 13.060 1.00 12.21 H new ATOM 0 HH12 ARG A 51 -11.348 -9.195 14.680 1.00 12.21 H new ATOM 0 HH21 ARG A 51 -10.844 -12.679 14.861 1.00 32.43 H new ATOM 0 HH22 ARG A 51 -10.667 -11.132 15.695 1.00 32.43 H new ATOM 813 N THR A 52 -9.635 -8.099 7.371 1.00 21.34 N ATOM 814 CA THR A 52 -9.351 -8.439 5.983 1.00 65.20 C ATOM 815 C THR A 52 -7.926 -8.958 5.825 1.00 41.24 C ATOM 816 O THR A 52 -6.961 -8.229 6.053 1.00 43.32 O ATOM 817 CB THR A 52 -9.549 -7.226 5.056 1.00 40.55 C ATOM 818 OG1 THR A 52 -10.430 -6.279 5.670 1.00 52.44 O ATOM 819 CG2 THR A 52 -10.117 -7.658 3.712 1.00 35.04 C ATOM 0 H THR A 52 -9.133 -7.281 7.716 1.00 21.34 H new ATOM 0 HA THR A 52 -10.054 -9.222 5.699 1.00 65.20 H new ATOM 0 HB THR A 52 -8.577 -6.762 4.889 1.00 40.55 H new ATOM 0 HG1 THR A 52 -10.802 -5.686 4.984 1.00 52.44 H new ATOM 0 HG21 THR A 52 -10.248 -6.784 3.074 1.00 35.04 H new ATOM 0 HG22 THR A 52 -9.430 -8.356 3.234 1.00 35.04 H new ATOM 0 HG23 THR A 52 -11.081 -8.144 3.864 1.00 35.04 H new ATOM 827 N SER A 53 -7.801 -10.222 5.432 1.00 53.52 N ATOM 828 CA SER A 53 -6.493 -10.839 5.246 1.00 53.22 C ATOM 829 C SER A 53 -5.863 -10.391 3.930 1.00 13.25 C ATOM 830 O SER A 53 -6.451 -9.610 3.181 1.00 13.10 O ATOM 831 CB SER A 53 -6.617 -12.363 5.272 1.00 70.40 C ATOM 832 OG SER A 53 -7.830 -12.787 4.674 1.00 62.12 O ATOM 0 H SER A 53 -8.590 -10.838 5.236 1.00 53.52 H new ATOM 0 HA SER A 53 -5.848 -10.520 6.065 1.00 53.22 H new ATOM 0 HB2 SER A 53 -5.773 -12.809 4.745 1.00 70.40 H new ATOM 0 HB3 SER A 53 -6.573 -12.717 6.302 1.00 70.40 H new ATOM 0 HG SER A 53 -7.884 -13.765 4.702 1.00 62.12 H new ATOM 838 N LEU A 54 -4.663 -10.891 3.656 1.00 15.42 N ATOM 839 CA LEU A 54 -3.952 -10.543 2.431 1.00 5.13 C ATOM 840 C LEU A 54 -4.832 -10.771 1.207 1.00 43.24 C ATOM 841 O LEU A 54 -4.691 -10.087 0.193 1.00 13.02 O ATOM 842 CB LEU A 54 -2.669 -11.368 2.312 1.00 3.41 C ATOM 843 CG LEU A 54 -1.788 -11.067 1.099 1.00 42.11 C ATOM 844 CD1 LEU A 54 -1.545 -9.571 0.973 1.00 2.14 C ATOM 845 CD2 LEU A 54 -0.468 -11.817 1.199 1.00 4.04 C ATOM 0 H LEU A 54 -4.162 -11.538 4.265 1.00 15.42 H new ATOM 0 HA LEU A 54 -3.694 -9.485 2.477 1.00 5.13 H new ATOM 0 HB2 LEU A 54 -2.076 -11.213 3.214 1.00 3.41 H new ATOM 0 HB3 LEU A 54 -2.940 -12.423 2.286 1.00 3.41 H new ATOM 0 HG LEU A 54 -2.309 -11.406 0.203 1.00 42.11 H new ATOM 0 HD11 LEU A 54 -0.916 -9.376 0.104 1.00 2.14 H new ATOM 0 HD12 LEU A 54 -2.498 -9.056 0.853 1.00 2.14 H new ATOM 0 HD13 LEU A 54 -1.046 -9.207 1.871 1.00 2.14 H new ATOM 0 HD21 LEU A 54 0.146 -11.591 0.327 1.00 4.04 H new ATOM 0 HD22 LEU A 54 0.058 -11.509 2.103 1.00 4.04 H new ATOM 0 HD23 LEU A 54 -0.661 -12.889 1.239 1.00 4.04 H new ATOM 857 N ALA A 55 -5.741 -11.735 1.309 1.00 43.03 N ATOM 858 CA ALA A 55 -6.647 -12.050 0.211 1.00 3.01 C ATOM 859 C ALA A 55 -7.396 -10.807 -0.256 1.00 41.23 C ATOM 860 O ALA A 55 -7.715 -10.670 -1.437 1.00 0.55 O ATOM 861 CB ALA A 55 -7.629 -13.133 0.632 1.00 63.32 C ATOM 0 H ALA A 55 -5.870 -12.311 2.141 1.00 43.03 H new ATOM 0 HA ALA A 55 -6.052 -12.419 -0.624 1.00 3.01 H new ATOM 0 HB1 ALA A 55 -8.300 -13.358 -0.197 1.00 63.32 H new ATOM 0 HB2 ALA A 55 -7.081 -14.033 0.910 1.00 63.32 H new ATOM 0 HB3 ALA A 55 -8.211 -12.785 1.485 1.00 63.32 H new ATOM 867 N GLY A 56 -7.675 -9.903 0.678 1.00 5.21 N ATOM 868 CA GLY A 56 -8.385 -8.683 0.342 1.00 72.02 C ATOM 869 C GLY A 56 -7.549 -7.738 -0.498 1.00 1.54 C ATOM 870 O GLY A 56 -8.025 -7.198 -1.496 1.00 4.41 O ATOM 0 H GLY A 56 -7.422 -9.994 1.662 1.00 5.21 H new ATOM 0 HA2 GLY A 56 -9.297 -8.935 -0.199 1.00 72.02 H new ATOM 0 HA3 GLY A 56 -8.687 -8.178 1.259 1.00 72.02 H new ATOM 874 N MET A 57 -6.300 -7.535 -0.091 1.00 62.42 N ATOM 875 CA MET A 57 -5.396 -6.648 -0.813 1.00 41.34 C ATOM 876 C MET A 57 -4.956 -7.276 -2.132 1.00 43.40 C ATOM 877 O MET A 57 -4.988 -6.630 -3.180 1.00 63.41 O ATOM 878 CB MET A 57 -4.171 -6.324 0.045 1.00 53.24 C ATOM 879 CG MET A 57 -4.507 -5.580 1.327 1.00 53.21 C ATOM 880 SD MET A 57 -4.419 -3.789 1.135 1.00 63.25 S ATOM 881 CE MET A 57 -5.925 -3.472 0.219 1.00 34.04 C ATOM 0 H MET A 57 -5.891 -7.973 0.735 1.00 62.42 H new ATOM 0 HA MET A 57 -5.932 -5.724 -1.032 1.00 41.34 H new ATOM 0 HB2 MET A 57 -3.658 -7.252 0.297 1.00 53.24 H new ATOM 0 HB3 MET A 57 -3.475 -5.724 -0.542 1.00 53.24 H new ATOM 0 HG2 MET A 57 -5.510 -5.858 1.651 1.00 53.21 H new ATOM 0 HG3 MET A 57 -3.820 -5.891 2.114 1.00 53.21 H new ATOM 0 HE1 MET A 57 -5.675 -3.126 -0.784 1.00 34.04 H new ATOM 0 HE2 MET A 57 -6.509 -4.390 0.151 1.00 34.04 H new ATOM 0 HE3 MET A 57 -6.509 -2.708 0.732 1.00 34.04 H new ATOM 891 N LYS A 58 -4.544 -8.538 -2.073 1.00 14.30 N ATOM 892 CA LYS A 58 -4.098 -9.254 -3.262 1.00 53.11 C ATOM 893 C LYS A 58 -5.165 -9.218 -4.351 1.00 54.34 C ATOM 894 O LYS A 58 -4.852 -9.207 -5.542 1.00 50.30 O ATOM 895 CB LYS A 58 -3.761 -10.705 -2.912 1.00 1.00 C ATOM 896 CG LYS A 58 -2.529 -11.232 -3.627 1.00 21.52 C ATOM 897 CD LYS A 58 -1.470 -11.700 -2.642 1.00 74.42 C ATOM 898 CE LYS A 58 -1.930 -12.929 -1.872 1.00 11.44 C ATOM 899 NZ LYS A 58 -1.663 -14.187 -2.622 1.00 44.43 N ATOM 0 H LYS A 58 -4.510 -9.086 -1.214 1.00 14.30 H new ATOM 0 HA LYS A 58 -3.202 -8.760 -3.639 1.00 53.11 H new ATOM 0 HB2 LYS A 58 -3.608 -10.784 -1.836 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -4.613 -11.337 -3.160 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -2.811 -12.059 -4.279 1.00 21.52 H new ATOM 0 HG3 LYS A 58 -2.115 -10.451 -4.264 1.00 21.52 H new ATOM 0 HD2 LYS A 58 -0.549 -11.929 -3.178 1.00 74.42 H new ATOM 0 HD3 LYS A 58 -1.241 -10.896 -1.943 1.00 74.42 H new ATOM 0 HE2 LYS A 58 -1.421 -12.966 -0.909 1.00 11.44 H new ATOM 0 HE3 LYS A 58 -2.997 -12.849 -1.665 1.00 11.44 H new ATOM 0 HZ1 LYS A 58 -1.991 -15.001 -2.063 1.00 44.43 H new ATOM 0 HZ2 LYS A 58 -2.169 -14.164 -3.530 1.00 44.43 H new ATOM 0 HZ3 LYS A 58 -0.642 -14.277 -2.797 1.00 44.43 H new ATOM 913 N LYS A 59 -6.427 -9.198 -3.937 1.00 15.25 N ATOM 914 CA LYS A 59 -7.542 -9.160 -4.876 1.00 42.21 C ATOM 915 C LYS A 59 -7.441 -7.943 -5.791 1.00 21.32 C ATOM 916 O LYS A 59 -7.859 -7.988 -6.949 1.00 23.03 O ATOM 917 CB LYS A 59 -8.872 -9.134 -4.120 1.00 53.14 C ATOM 918 CG LYS A 59 -9.766 -10.324 -4.422 1.00 32.33 C ATOM 919 CD LYS A 59 -11.052 -10.275 -3.613 1.00 62.12 C ATOM 920 CE LYS A 59 -11.628 -11.666 -3.397 1.00 22.11 C ATOM 921 NZ LYS A 59 -12.472 -12.101 -4.544 1.00 21.40 N ATOM 0 H LYS A 59 -6.704 -9.207 -2.955 1.00 15.25 H new ATOM 0 HA LYS A 59 -7.498 -10.059 -5.490 1.00 42.21 H new ATOM 0 HB2 LYS A 59 -8.671 -9.104 -3.049 1.00 53.14 H new ATOM 0 HB3 LYS A 59 -9.405 -8.217 -4.371 1.00 53.14 H new ATOM 0 HG2 LYS A 59 -10.004 -10.340 -5.485 1.00 32.33 H new ATOM 0 HG3 LYS A 59 -9.231 -11.248 -4.201 1.00 32.33 H new ATOM 0 HD2 LYS A 59 -10.858 -9.806 -2.648 1.00 62.12 H new ATOM 0 HD3 LYS A 59 -11.784 -9.653 -4.128 1.00 62.12 H new ATOM 0 HE2 LYS A 59 -10.815 -12.378 -3.254 1.00 22.11 H new ATOM 0 HE3 LYS A 59 -12.223 -11.675 -2.484 1.00 22.11 H new ATOM 0 HZ1 LYS A 59 -12.846 -13.054 -4.358 1.00 21.40 H new ATOM 0 HZ2 LYS A 59 -13.263 -11.436 -4.665 1.00 21.40 H new ATOM 0 HZ3 LYS A 59 -11.898 -12.117 -5.411 1.00 21.40 H new ATOM 935 N LEU A 60 -6.883 -6.858 -5.265 1.00 60.32 N ATOM 936 CA LEU A 60 -6.726 -5.629 -6.035 1.00 64.43 C ATOM 937 C LEU A 60 -5.532 -5.728 -6.979 1.00 45.44 C ATOM 938 O LEU A 60 -5.587 -5.258 -8.116 1.00 45.33 O ATOM 939 CB LEU A 60 -6.551 -4.435 -5.096 1.00 41.43 C ATOM 940 CG LEU A 60 -7.816 -3.946 -4.390 1.00 3.24 C ATOM 941 CD1 LEU A 60 -8.198 -4.894 -3.264 1.00 14.13 C ATOM 942 CD2 LEU A 60 -7.617 -2.534 -3.856 1.00 71.45 C ATOM 0 H LEU A 60 -6.532 -6.804 -4.309 1.00 60.32 H new ATOM 0 HA LEU A 60 -7.627 -5.485 -6.632 1.00 64.43 H new ATOM 0 HB2 LEU A 60 -5.815 -4.700 -4.337 1.00 41.43 H new ATOM 0 HB3 LEU A 60 -6.135 -3.606 -5.668 1.00 41.43 H new ATOM 0 HG LEU A 60 -8.630 -3.928 -5.115 1.00 3.24 H new ATOM 0 HD11 LEU A 60 -9.100 -4.530 -2.773 1.00 14.13 H new ATOM 0 HD12 LEU A 60 -8.382 -5.888 -3.672 1.00 14.13 H new ATOM 0 HD13 LEU A 60 -7.385 -4.944 -2.539 1.00 14.13 H new ATOM 0 HD21 LEU A 60 -8.527 -2.202 -3.357 1.00 71.45 H new ATOM 0 HD22 LEU A 60 -6.790 -2.527 -3.146 1.00 71.45 H new ATOM 0 HD23 LEU A 60 -7.391 -1.861 -4.683 1.00 71.45 H new ATOM 954 N ILE A 61 -4.455 -6.342 -6.501 1.00 60.44 N ATOM 955 CA ILE A 61 -3.249 -6.505 -7.304 1.00 72.00 C ATOM 956 C ILE A 61 -2.619 -7.875 -7.078 1.00 72.24 C ATOM 957 O ILE A 61 -1.617 -8.017 -6.377 1.00 70.45 O ATOM 958 CB ILE A 61 -2.209 -5.415 -6.984 1.00 60.24 C ATOM 959 CG1 ILE A 61 -2.822 -4.025 -7.167 1.00 62.22 C ATOM 960 CG2 ILE A 61 -0.981 -5.579 -7.868 1.00 74.31 C ATOM 961 CD1 ILE A 61 -3.491 -3.491 -5.920 1.00 73.33 C ATOM 0 H ILE A 61 -4.393 -6.735 -5.562 1.00 60.44 H new ATOM 0 HA ILE A 61 -3.550 -6.414 -8.348 1.00 72.00 H new ATOM 0 HB ILE A 61 -1.901 -5.521 -5.944 1.00 60.24 H new ATOM 0 HG12 ILE A 61 -2.041 -3.330 -7.477 1.00 62.22 H new ATOM 0 HG13 ILE A 61 -3.553 -4.063 -7.974 1.00 62.22 H new ATOM 0 HG21 ILE A 61 -0.255 -4.801 -7.630 1.00 74.31 H new ATOM 0 HG22 ILE A 61 -0.535 -6.558 -7.693 1.00 74.31 H new ATOM 0 HG23 ILE A 61 -1.273 -5.495 -8.915 1.00 74.31 H new ATOM 0 HD11 ILE A 61 -3.903 -2.502 -6.123 1.00 73.33 H new ATOM 0 HD12 ILE A 61 -4.294 -4.165 -5.621 1.00 73.33 H new ATOM 0 HD13 ILE A 61 -2.759 -3.421 -5.116 1.00 73.33 H new ATOM 973 N PRO A 62 -3.218 -8.909 -7.687 1.00 72.44 N ATOM 974 CA PRO A 62 -2.731 -10.287 -7.570 1.00 35.11 C ATOM 975 C PRO A 62 -1.408 -10.498 -8.298 1.00 32.55 C ATOM 976 O PRO A 62 -1.366 -10.554 -9.526 1.00 1.02 O ATOM 977 CB PRO A 62 -3.841 -11.112 -8.227 1.00 23.41 C ATOM 978 CG PRO A 62 -4.501 -10.172 -9.176 1.00 21.44 C ATOM 979 CD PRO A 62 -4.416 -8.813 -8.538 1.00 33.21 C ATOM 0 HA PRO A 62 -2.532 -10.563 -6.534 1.00 35.11 H new ATOM 0 HB2 PRO A 62 -3.434 -11.979 -8.747 1.00 23.41 H new ATOM 0 HB3 PRO A 62 -4.547 -11.487 -7.486 1.00 23.41 H new ATOM 0 HG2 PRO A 62 -4.001 -10.180 -10.145 1.00 21.44 H new ATOM 0 HG3 PRO A 62 -5.538 -10.457 -9.350 1.00 21.44 H new ATOM 0 HD2 PRO A 62 -4.317 -8.025 -9.284 1.00 33.21 H new ATOM 0 HD3 PRO A 62 -5.307 -8.588 -7.953 1.00 33.21 H new ATOM 987 N GLY A 63 -0.328 -10.616 -7.531 1.00 34.44 N ATOM 988 CA GLY A 63 0.982 -10.821 -8.120 1.00 52.45 C ATOM 989 C GLY A 63 1.997 -9.800 -7.645 1.00 70.14 C ATOM 990 O GLY A 63 2.893 -9.411 -8.394 1.00 21.52 O ATOM 0 H GLY A 63 -0.337 -10.573 -6.512 1.00 34.44 H new ATOM 0 HA2 GLY A 63 1.335 -11.822 -7.873 1.00 52.45 H new ATOM 0 HA3 GLY A 63 0.901 -10.770 -9.206 1.00 52.45 H new ATOM 994 N ALA A 64 1.856 -9.364 -6.398 1.00 52.31 N ATOM 995 CA ALA A 64 2.768 -8.383 -5.824 1.00 43.42 C ATOM 996 C ALA A 64 3.283 -8.841 -4.464 1.00 32.21 C ATOM 997 O ALA A 64 2.801 -9.828 -3.907 1.00 60.42 O ATOM 998 CB ALA A 64 2.081 -7.031 -5.702 1.00 40.33 C ATOM 0 H ALA A 64 1.119 -9.675 -5.766 1.00 52.31 H new ATOM 0 HA ALA A 64 3.623 -8.285 -6.493 1.00 43.42 H new ATOM 0 HB1 ALA A 64 2.774 -6.308 -5.272 1.00 40.33 H new ATOM 0 HB2 ALA A 64 1.769 -6.691 -6.689 1.00 40.33 H new ATOM 0 HB3 ALA A 64 1.207 -7.124 -5.057 1.00 40.33 H new ATOM 1004 N HIS A 65 4.265 -8.119 -3.933 1.00 53.05 N ATOM 1005 CA HIS A 65 4.845 -8.452 -2.637 1.00 73.43 C ATOM 1006 C HIS A 65 4.175 -7.656 -1.521 1.00 44.35 C ATOM 1007 O HIS A 65 4.329 -6.437 -1.436 1.00 63.14 O ATOM 1008 CB HIS A 65 6.349 -8.180 -2.643 1.00 1.42 C ATOM 1009 CG HIS A 65 7.096 -8.921 -1.577 1.00 42.02 C ATOM 1010 ND1 HIS A 65 8.225 -9.671 -1.832 1.00 52.14 N ATOM 1011 CD2 HIS A 65 6.871 -9.023 -0.246 1.00 62.34 C ATOM 1012 CE1 HIS A 65 8.661 -10.204 -0.705 1.00 12.20 C ATOM 1013 NE2 HIS A 65 7.857 -9.826 0.273 1.00 41.13 N ATOM 0 H HIS A 65 4.676 -7.300 -4.381 1.00 53.05 H new ATOM 0 HA HIS A 65 4.677 -9.513 -2.453 1.00 73.43 H new ATOM 0 HB2 HIS A 65 6.755 -8.453 -3.617 1.00 1.42 H new ATOM 0 HB3 HIS A 65 6.517 -7.111 -2.516 1.00 1.42 H new ATOM 0 HD2 HIS A 65 6.066 -8.559 0.305 1.00 62.34 H new ATOM 0 HE1 HIS A 65 9.527 -10.840 -0.601 1.00 12.20 H new ATOM 0 HE2 HIS A 65 7.953 -10.088 1.254 1.00 41.13 H new ATOM 1021 N PHE A 66 3.431 -8.352 -0.668 1.00 45.23 N ATOM 1022 CA PHE A 66 2.737 -7.709 0.441 1.00 20.13 C ATOM 1023 C PHE A 66 3.327 -8.147 1.779 1.00 53.02 C ATOM 1024 O PHE A 66 3.966 -9.194 1.873 1.00 33.35 O ATOM 1025 CB PHE A 66 1.244 -8.040 0.397 1.00 71.24 C ATOM 1026 CG PHE A 66 0.417 -6.988 -0.285 1.00 73.13 C ATOM 1027 CD1 PHE A 66 0.353 -6.926 -1.668 1.00 21.40 C ATOM 1028 CD2 PHE A 66 -0.297 -6.060 0.456 1.00 22.55 C ATOM 1029 CE1 PHE A 66 -0.407 -5.960 -2.299 1.00 14.23 C ATOM 1030 CE2 PHE A 66 -1.059 -5.092 -0.169 1.00 12.04 C ATOM 1031 CZ PHE A 66 -1.114 -5.041 -1.548 1.00 4.32 C ATOM 0 H PHE A 66 3.293 -9.361 -0.724 1.00 45.23 H new ATOM 0 HA PHE A 66 2.866 -6.631 0.342 1.00 20.13 H new ATOM 0 HB2 PHE A 66 1.106 -8.990 -0.119 1.00 71.24 H new ATOM 0 HB3 PHE A 66 0.879 -8.174 1.415 1.00 71.24 H new ATOM 0 HD1 PHE A 66 0.904 -7.642 -2.260 1.00 21.40 H new ATOM 0 HD2 PHE A 66 -0.257 -6.094 1.535 1.00 22.55 H new ATOM 0 HE1 PHE A 66 -0.448 -5.923 -3.378 1.00 14.23 H new ATOM 0 HE2 PHE A 66 -1.612 -4.375 0.421 1.00 12.04 H new ATOM 0 HZ PHE A 66 -1.708 -4.284 -2.038 1.00 4.32 H new ATOM 1041 N GLU A 67 3.107 -7.336 2.809 1.00 22.44 N ATOM 1042 CA GLU A 67 3.618 -7.639 4.141 1.00 22.41 C ATOM 1043 C GLU A 67 2.696 -7.077 5.219 1.00 75.23 C ATOM 1044 O GLU A 67 2.572 -5.862 5.375 1.00 22.21 O ATOM 1045 CB GLU A 67 5.028 -7.069 4.313 1.00 73.23 C ATOM 1046 CG GLU A 67 6.120 -8.125 4.277 1.00 12.12 C ATOM 1047 CD GLU A 67 7.500 -7.530 4.075 1.00 31.03 C ATOM 1048 OE1 GLU A 67 7.584 -6.340 3.706 1.00 0.22 O ATOM 1049 OE2 GLU A 67 8.495 -8.254 4.286 1.00 43.11 O ATOM 0 H GLU A 67 2.579 -6.465 2.747 1.00 22.44 H new ATOM 0 HA GLU A 67 3.656 -8.723 4.249 1.00 22.41 H new ATOM 0 HB2 GLU A 67 5.214 -6.339 3.525 1.00 73.23 H new ATOM 0 HB3 GLU A 67 5.082 -6.535 5.262 1.00 73.23 H new ATOM 0 HG2 GLU A 67 6.105 -8.690 5.209 1.00 12.12 H new ATOM 0 HG3 GLU A 67 5.911 -8.831 3.473 1.00 12.12 H new ATOM 1056 N LYS A 68 2.048 -7.970 5.960 1.00 64.22 N ATOM 1057 CA LYS A 68 1.137 -7.566 7.024 1.00 40.12 C ATOM 1058 C LYS A 68 1.699 -7.938 8.392 1.00 32.11 C ATOM 1059 O LYS A 68 0.961 -8.028 9.373 1.00 15.52 O ATOM 1060 CB LYS A 68 -0.232 -8.221 6.827 1.00 21.32 C ATOM 1061 CG LYS A 68 -0.167 -9.566 6.124 1.00 51.01 C ATOM 1062 CD LYS A 68 0.638 -10.576 6.925 1.00 51.14 C ATOM 1063 CE LYS A 68 -0.028 -11.943 6.928 1.00 74.24 C ATOM 1064 NZ LYS A 68 0.851 -12.987 7.522 1.00 22.42 N ATOM 0 H LYS A 68 2.137 -8.979 5.843 1.00 64.22 H new ATOM 0 HA LYS A 68 1.024 -6.483 6.980 1.00 40.12 H new ATOM 0 HB2 LYS A 68 -0.706 -8.351 7.800 1.00 21.32 H new ATOM 0 HB3 LYS A 68 -0.867 -7.549 6.250 1.00 21.32 H new ATOM 0 HG2 LYS A 68 -1.177 -9.945 5.969 1.00 51.01 H new ATOM 0 HG3 LYS A 68 0.282 -9.441 5.139 1.00 51.01 H new ATOM 0 HD2 LYS A 68 1.640 -10.659 6.505 1.00 51.14 H new ATOM 0 HD3 LYS A 68 0.750 -10.223 7.950 1.00 51.14 H new ATOM 0 HE2 LYS A 68 -0.961 -11.891 7.490 1.00 74.24 H new ATOM 0 HE3 LYS A 68 -0.286 -12.224 5.907 1.00 74.24 H new ATOM 0 HZ1 LYS A 68 0.361 -13.904 7.505 1.00 22.42 H new ATOM 0 HZ2 LYS A 68 1.731 -13.055 6.971 1.00 22.42 H new ATOM 0 HZ3 LYS A 68 1.077 -12.733 8.505 1.00 22.42 H new ATOM 1078 N ARG A 69 3.009 -8.153 8.450 1.00 1.44 N ATOM 1079 CA ARG A 69 3.669 -8.515 9.699 1.00 43.41 C ATOM 1080 C ARG A 69 3.815 -7.299 10.609 1.00 3.41 C ATOM 1081 O ARG A 69 4.312 -7.406 11.731 1.00 74.44 O ATOM 1082 CB ARG A 69 5.045 -9.121 9.416 1.00 72.31 C ATOM 1083 CG ARG A 69 5.436 -10.222 10.388 1.00 65.31 C ATOM 1084 CD ARG A 69 6.894 -10.623 10.218 1.00 13.44 C ATOM 1085 NE ARG A 69 7.087 -11.514 9.078 1.00 63.01 N ATOM 1086 CZ ARG A 69 8.226 -12.151 8.828 1.00 40.44 C ATOM 1087 NH1 ARG A 69 9.267 -11.995 9.634 1.00 62.14 N ATOM 1088 NH2 ARG A 69 8.325 -12.945 7.770 1.00 73.15 N ATOM 0 H ARG A 69 3.634 -8.083 7.647 1.00 1.44 H new ATOM 0 HA ARG A 69 3.050 -9.255 10.206 1.00 43.41 H new ATOM 0 HB2 ARG A 69 5.055 -9.522 8.403 1.00 72.31 H new ATOM 0 HB3 ARG A 69 5.795 -8.331 9.453 1.00 72.31 H new ATOM 0 HG2 ARG A 69 5.267 -9.883 11.410 1.00 65.31 H new ATOM 0 HG3 ARG A 69 4.798 -11.091 10.231 1.00 65.31 H new ATOM 0 HD2 ARG A 69 7.503 -9.729 10.086 1.00 13.44 H new ATOM 0 HD3 ARG A 69 7.243 -11.115 11.126 1.00 13.44 H new ATOM 0 HE ARG A 69 6.305 -11.655 8.439 1.00 63.01 H new ATOM 0 HH11 ARG A 69 9.195 -11.385 10.448 1.00 62.14 H new ATOM 0 HH12 ARG A 69 10.140 -12.485 9.440 1.00 62.14 H new ATOM 0 HH21 ARG A 69 7.526 -13.067 7.147 1.00 73.15 H new ATOM 0 HH22 ARG A 69 9.200 -13.433 7.579 1.00 73.15 H new ATOM 1102 N ARG A 70 3.380 -6.143 10.118 1.00 3.21 N ATOM 1103 CA ARG A 70 3.464 -4.906 10.886 1.00 23.52 C ATOM 1104 C ARG A 70 4.917 -4.476 11.067 1.00 61.14 C ATOM 1105 O ARG A 70 5.323 -4.064 12.152 1.00 12.33 O ATOM 1106 CB ARG A 70 2.800 -5.084 12.253 1.00 64.01 C ATOM 1107 CG ARG A 70 1.482 -5.838 12.196 1.00 12.11 C ATOM 1108 CD ARG A 70 0.970 -6.171 13.589 1.00 51.41 C ATOM 1109 NE ARG A 70 0.700 -7.597 13.746 1.00 32.25 N ATOM 1110 CZ ARG A 70 1.639 -8.498 14.014 1.00 10.31 C ATOM 1111 NH1 ARG A 70 2.903 -8.121 14.154 1.00 74.24 N ATOM 1112 NH2 ARG A 70 1.315 -9.778 14.143 1.00 12.12 N ATOM 0 H ARG A 70 2.966 -6.037 9.192 1.00 3.21 H new ATOM 0 HA ARG A 70 2.939 -4.128 10.333 1.00 23.52 H new ATOM 0 HB2 ARG A 70 3.485 -5.616 12.914 1.00 64.01 H new ATOM 0 HB3 ARG A 70 2.629 -4.102 12.695 1.00 64.01 H new ATOM 0 HG2 ARG A 70 0.741 -5.238 11.669 1.00 12.11 H new ATOM 0 HG3 ARG A 70 1.612 -6.758 11.625 1.00 12.11 H new ATOM 0 HD2 ARG A 70 1.705 -5.858 14.330 1.00 51.41 H new ATOM 0 HD3 ARG A 70 0.059 -5.606 13.785 1.00 51.41 H new ATOM 0 HE ARG A 70 -0.262 -7.919 13.644 1.00 32.25 H new ATOM 0 HH11 ARG A 70 3.156 -7.138 14.056 1.00 74.24 H new ATOM 0 HH12 ARG A 70 3.622 -8.814 14.360 1.00 74.24 H new ATOM 0 HH21 ARG A 70 0.344 -10.072 14.036 1.00 12.12 H new ATOM 0 HH22 ARG A 70 2.037 -10.469 14.349 1.00 12.12 H new ATOM 1126 N GLY A 71 5.696 -4.576 9.994 1.00 64.12 N ATOM 1127 CA GLY A 71 7.095 -4.195 10.055 1.00 42.41 C ATOM 1128 C GLY A 71 7.287 -2.691 10.051 1.00 13.11 C ATOM 1129 O GLY A 71 8.410 -2.200 10.165 1.00 1.53 O ATOM 0 H GLY A 71 5.383 -4.914 9.084 1.00 64.12 H new ATOM 0 HA2 GLY A 71 7.543 -4.613 10.956 1.00 42.41 H new ATOM 0 HA3 GLY A 71 7.624 -4.628 9.206 1.00 42.41 H new ATOM 1133 N THR A 72 6.187 -1.956 9.918 1.00 72.02 N ATOM 1134 CA THR A 72 6.239 -0.500 9.896 1.00 15.34 C ATOM 1135 C THR A 72 4.988 0.104 10.526 1.00 44.21 C ATOM 1136 O THR A 72 4.579 1.211 10.175 1.00 23.43 O ATOM 1137 CB THR A 72 6.386 0.036 8.460 1.00 43.21 C ATOM 1138 OG1 THR A 72 5.449 -0.615 7.595 1.00 21.22 O ATOM 1139 CG2 THR A 72 7.800 -0.185 7.943 1.00 53.34 C ATOM 0 H THR A 72 5.249 -2.346 9.824 1.00 72.02 H new ATOM 0 HA THR A 72 7.114 -0.206 10.476 1.00 15.34 H new ATOM 0 HB THR A 72 6.183 1.107 8.473 1.00 43.21 H new ATOM 0 HG1 THR A 72 5.548 -0.267 6.684 1.00 21.22 H new ATOM 0 HG21 THR A 72 7.880 0.201 6.927 1.00 53.34 H new ATOM 0 HG22 THR A 72 8.508 0.336 8.587 1.00 53.34 H new ATOM 0 HG23 THR A 72 8.025 -1.251 7.945 1.00 53.34 H new ATOM 1147 N GLN A 73 4.387 -0.629 11.457 1.00 72.32 N ATOM 1148 CA GLN A 73 3.183 -0.164 12.135 1.00 75.52 C ATOM 1149 C GLN A 73 3.404 1.210 12.757 1.00 4.11 C ATOM 1150 O GLN A 73 4.017 1.331 13.817 1.00 14.33 O ATOM 1151 CB GLN A 73 2.761 -1.164 13.214 1.00 42.24 C ATOM 1152 CG GLN A 73 1.731 -0.611 14.186 1.00 63.43 C ATOM 1153 CD GLN A 73 0.673 0.229 13.499 1.00 12.12 C ATOM 1154 OE1 GLN A 73 0.297 -0.036 12.357 1.00 62.30 O ATOM 1155 NE2 GLN A 73 0.185 1.250 14.194 1.00 50.42 N ATOM 0 H GLN A 73 4.714 -1.547 11.759 1.00 72.32 H new ATOM 0 HA GLN A 73 2.388 -0.083 11.394 1.00 75.52 H new ATOM 0 HB2 GLN A 73 2.354 -2.054 12.734 1.00 42.24 H new ATOM 0 HB3 GLN A 73 3.643 -1.478 13.772 1.00 42.24 H new ATOM 0 HG2 GLN A 73 1.250 -1.438 14.709 1.00 63.43 H new ATOM 0 HG3 GLN A 73 2.236 -0.007 14.940 1.00 63.43 H new ATOM 0 HE21 GLN A 73 0.525 1.434 15.138 1.00 50.42 H new ATOM 0 HE22 GLN A 73 -0.530 1.851 13.784 1.00 50.42 H new ATOM 1164 N GLY A 74 2.902 2.245 12.090 1.00 62.34 N ATOM 1165 CA GLY A 74 3.057 3.597 12.592 1.00 15.32 C ATOM 1166 C GLY A 74 4.295 4.280 12.048 1.00 44.42 C ATOM 1167 O GLY A 74 4.394 5.507 12.066 1.00 75.24 O ATOM 0 H GLY A 74 2.391 2.171 11.211 1.00 62.34 H new ATOM 0 HA2 GLY A 74 2.177 4.183 12.327 1.00 15.32 H new ATOM 0 HA3 GLY A 74 3.108 3.573 13.681 1.00 15.32 H new ATOM 1171 N GLU A 75 5.244 3.484 11.564 1.00 10.41 N ATOM 1172 CA GLU A 75 6.484 4.021 11.015 1.00 74.13 C ATOM 1173 C GLU A 75 6.267 4.551 9.600 1.00 22.02 C ATOM 1174 O GLU A 75 6.964 5.462 9.154 1.00 62.31 O ATOM 1175 CB GLU A 75 7.572 2.945 11.007 1.00 12.32 C ATOM 1176 CG GLU A 75 8.859 3.376 11.690 1.00 14.45 C ATOM 1177 CD GLU A 75 10.095 2.827 11.006 1.00 20.42 C ATOM 1178 OE1 GLU A 75 10.165 2.895 9.761 1.00 0.25 O ATOM 1179 OE2 GLU A 75 10.993 2.328 11.717 1.00 60.34 O ATOM 0 H GLU A 75 5.178 2.466 11.541 1.00 10.41 H new ATOM 0 HA GLU A 75 6.805 4.847 11.649 1.00 74.13 H new ATOM 0 HB2 GLU A 75 7.191 2.051 11.500 1.00 12.32 H new ATOM 0 HB3 GLU A 75 7.792 2.671 9.975 1.00 12.32 H new ATOM 0 HG2 GLU A 75 8.910 4.465 11.706 1.00 14.45 H new ATOM 0 HG3 GLU A 75 8.844 3.043 12.728 1.00 14.45 H new ATOM 1186 N ALA A 76 5.296 3.973 8.900 1.00 5.22 N ATOM 1187 CA ALA A 76 4.987 4.387 7.537 1.00 12.44 C ATOM 1188 C ALA A 76 4.242 5.718 7.524 1.00 72.10 C ATOM 1189 O ALA A 76 3.994 6.291 6.463 1.00 60.43 O ATOM 1190 CB ALA A 76 4.169 3.315 6.833 1.00 51.22 C ATOM 0 H ALA A 76 4.710 3.217 9.254 1.00 5.22 H new ATOM 0 HA ALA A 76 5.927 4.521 7.002 1.00 12.44 H new ATOM 0 HB1 ALA A 76 3.945 3.637 5.816 1.00 51.22 H new ATOM 0 HB2 ALA A 76 4.737 2.385 6.802 1.00 51.22 H new ATOM 0 HB3 ALA A 76 3.238 3.153 7.375 1.00 51.22 H new ATOM 1196 N ARG A 77 3.887 6.204 8.709 1.00 75.12 N ATOM 1197 CA ARG A 77 3.168 7.466 8.832 1.00 12.35 C ATOM 1198 C ARG A 77 4.125 8.650 8.723 1.00 73.34 C ATOM 1199 O ARG A 77 3.702 9.783 8.497 1.00 42.30 O ATOM 1200 CB ARG A 77 2.420 7.523 10.166 1.00 40.41 C ATOM 1201 CG ARG A 77 0.915 7.669 10.014 1.00 33.32 C ATOM 1202 CD ARG A 77 0.216 6.319 10.070 1.00 63.01 C ATOM 1203 NE ARG A 77 -0.636 6.192 11.249 1.00 23.23 N ATOM 1204 CZ ARG A 77 -1.399 5.133 11.494 1.00 70.54 C ATOM 1205 NH1 ARG A 77 -1.416 4.114 10.645 1.00 33.22 N ATOM 1206 NH2 ARG A 77 -2.147 5.091 12.589 1.00 61.41 N ATOM 0 H ARG A 77 4.086 5.743 9.597 1.00 75.12 H new ATOM 0 HA ARG A 77 2.448 7.526 8.016 1.00 12.35 H new ATOM 0 HB2 ARG A 77 2.633 6.616 10.732 1.00 40.41 H new ATOM 0 HB3 ARG A 77 2.801 8.360 10.751 1.00 40.41 H new ATOM 0 HG2 ARG A 77 0.529 8.313 10.804 1.00 33.32 H new ATOM 0 HG3 ARG A 77 0.690 8.158 9.066 1.00 33.32 H new ATOM 0 HD2 ARG A 77 -0.386 6.185 9.171 1.00 63.01 H new ATOM 0 HD3 ARG A 77 0.962 5.524 10.075 1.00 63.01 H new ATOM 0 HE ARG A 77 -0.646 6.959 11.921 1.00 23.23 H new ATOM 0 HH11 ARG A 77 -0.842 4.143 9.802 1.00 33.22 H new ATOM 0 HH12 ARG A 77 -2.003 3.302 10.835 1.00 33.22 H new ATOM 0 HH21 ARG A 77 -2.137 5.873 13.244 1.00 61.41 H new ATOM 0 HH22 ARG A 77 -2.733 4.277 12.776 1.00 61.41 H new ATOM 1220 N ALA A 78 5.415 8.377 8.884 1.00 4.43 N ATOM 1221 CA ALA A 78 6.432 9.419 8.802 1.00 70.32 C ATOM 1222 C ALA A 78 7.410 9.143 7.665 1.00 73.54 C ATOM 1223 O ALA A 78 7.644 10.000 6.812 1.00 33.32 O ATOM 1224 CB ALA A 78 7.176 9.536 10.124 1.00 63.43 C ATOM 0 H ALA A 78 5.781 7.444 9.072 1.00 4.43 H new ATOM 0 HA ALA A 78 5.932 10.365 8.595 1.00 70.32 H new ATOM 0 HB1 ALA A 78 7.932 10.318 10.048 1.00 63.43 H new ATOM 0 HB2 ALA A 78 6.472 9.788 10.917 1.00 63.43 H new ATOM 0 HB3 ALA A 78 7.658 8.586 10.356 1.00 63.43 H new ATOM 1230 N TYR A 79 7.978 7.942 7.658 1.00 3.11 N ATOM 1231 CA TYR A 79 8.934 7.554 6.627 1.00 13.51 C ATOM 1232 C TYR A 79 8.223 7.254 5.311 1.00 11.00 C ATOM 1233 O TYR A 79 8.567 7.807 4.266 1.00 22.43 O ATOM 1234 CB TYR A 79 9.734 6.332 7.078 1.00 63.40 C ATOM 1235 CG TYR A 79 10.575 5.720 5.980 1.00 20.12 C ATOM 1236 CD1 TYR A 79 11.292 6.521 5.099 1.00 33.33 C ATOM 1237 CD2 TYR A 79 10.652 4.342 5.823 1.00 60.40 C ATOM 1238 CE1 TYR A 79 12.061 5.966 4.094 1.00 13.43 C ATOM 1239 CE2 TYR A 79 11.420 3.779 4.822 1.00 74.31 C ATOM 1240 CZ TYR A 79 12.122 4.595 3.960 1.00 12.10 C ATOM 1241 OH TYR A 79 12.886 4.038 2.961 1.00 43.14 O ATOM 0 H TYR A 79 7.793 7.220 8.355 1.00 3.11 H new ATOM 0 HA TYR A 79 9.617 8.388 6.468 1.00 13.51 H new ATOM 0 HB2 TYR A 79 10.384 6.618 7.905 1.00 63.40 H new ATOM 0 HB3 TYR A 79 9.046 5.578 7.460 1.00 63.40 H new ATOM 0 HD1 TYR A 79 11.247 7.595 5.202 1.00 33.33 H new ATOM 0 HD2 TYR A 79 10.102 3.700 6.495 1.00 60.40 H new ATOM 0 HE1 TYR A 79 12.611 6.603 3.417 1.00 13.43 H new ATOM 0 HE2 TYR A 79 11.470 2.705 4.715 1.00 74.31 H new ATOM 0 HH TYR A 79 12.821 3.061 3.006 1.00 43.14 H new ATOM 1251 N SER A 80 7.228 6.374 5.371 1.00 43.34 N ATOM 1252 CA SER A 80 6.470 5.997 4.184 1.00 74.31 C ATOM 1253 C SER A 80 7.375 5.341 3.146 1.00 44.21 C ATOM 1254 O SER A 80 7.530 4.120 3.123 1.00 15.53 O ATOM 1255 CB SER A 80 5.786 7.224 3.578 1.00 35.23 C ATOM 1256 OG SER A 80 4.728 7.678 4.405 1.00 3.31 O ATOM 0 H SER A 80 6.929 5.909 6.228 1.00 43.34 H new ATOM 0 HA SER A 80 5.709 5.277 4.484 1.00 74.31 H new ATOM 0 HB2 SER A 80 6.516 8.022 3.445 1.00 35.23 H new ATOM 0 HB3 SER A 80 5.399 6.977 2.589 1.00 35.23 H new ATOM 0 HG SER A 80 4.422 6.944 4.977 1.00 3.31 H new ATOM 1262 N MET A 81 7.972 6.162 2.288 1.00 42.11 N ATOM 1263 CA MET A 81 8.864 5.663 1.248 1.00 70.15 C ATOM 1264 C MET A 81 10.214 6.372 1.302 1.00 34.43 C ATOM 1265 O MET A 81 10.417 7.280 2.108 1.00 42.33 O ATOM 1266 CB MET A 81 8.230 5.854 -0.132 1.00 23.41 C ATOM 1267 CG MET A 81 7.547 4.605 -0.665 1.00 20.44 C ATOM 1268 SD MET A 81 6.175 4.067 0.374 1.00 32.11 S ATOM 1269 CE MET A 81 5.049 5.448 0.189 1.00 31.52 C ATOM 0 H MET A 81 7.854 7.175 2.292 1.00 42.11 H new ATOM 0 HA MET A 81 9.025 4.599 1.423 1.00 70.15 H new ATOM 0 HB2 MET A 81 7.501 6.662 -0.079 1.00 23.41 H new ATOM 0 HB3 MET A 81 9.001 6.166 -0.837 1.00 23.41 H new ATOM 0 HG2 MET A 81 7.180 4.798 -1.673 1.00 20.44 H new ATOM 0 HG3 MET A 81 8.278 3.800 -0.741 1.00 20.44 H new ATOM 0 HE1 MET A 81 4.113 5.226 0.702 1.00 31.52 H new ATOM 0 HE2 MET A 81 5.496 6.343 0.622 1.00 31.52 H new ATOM 0 HE3 MET A 81 4.851 5.617 -0.870 1.00 31.52 H new ATOM 1279 N LYS A 82 11.134 5.950 0.441 1.00 15.21 N ATOM 1280 CA LYS A 82 12.464 6.545 0.390 1.00 30.42 C ATOM 1281 C LYS A 82 12.484 7.755 -0.538 1.00 60.20 C ATOM 1282 O LYS A 82 12.229 7.633 -1.736 1.00 0.43 O ATOM 1283 CB LYS A 82 13.489 5.511 -0.080 1.00 63.54 C ATOM 1284 CG LYS A 82 14.848 5.656 0.583 1.00 61.13 C ATOM 1285 CD LYS A 82 15.975 5.287 -0.368 1.00 33.33 C ATOM 1286 CE LYS A 82 16.354 3.819 -0.239 1.00 42.40 C ATOM 1287 NZ LYS A 82 17.829 3.621 -0.298 1.00 31.34 N ATOM 0 H LYS A 82 10.983 5.198 -0.231 1.00 15.21 H new ATOM 0 HA LYS A 82 12.725 6.876 1.395 1.00 30.42 H new ATOM 0 HB2 LYS A 82 13.102 4.512 0.119 1.00 63.54 H new ATOM 0 HB3 LYS A 82 13.610 5.597 -1.160 1.00 63.54 H new ATOM 0 HG2 LYS A 82 14.980 6.683 0.924 1.00 61.13 H new ATOM 0 HG3 LYS A 82 14.893 5.019 1.466 1.00 61.13 H new ATOM 0 HD2 LYS A 82 15.671 5.497 -1.393 1.00 33.33 H new ATOM 0 HD3 LYS A 82 16.846 5.909 -0.160 1.00 33.33 H new ATOM 0 HE2 LYS A 82 15.972 3.427 0.703 1.00 42.40 H new ATOM 0 HE3 LYS A 82 15.879 3.249 -1.038 1.00 42.40 H new ATOM 0 HZ1 LYS A 82 18.047 2.608 -0.207 1.00 31.34 H new ATOM 0 HZ2 LYS A 82 18.190 3.972 -1.208 1.00 31.34 H new ATOM 0 HZ3 LYS A 82 18.281 4.144 0.479 1.00 31.34 H new ATOM 1301 N GLU A 83 12.790 8.920 0.023 1.00 0.41 N ATOM 1302 CA GLU A 83 12.844 10.152 -0.756 1.00 72.20 C ATOM 1303 C GLU A 83 13.951 10.085 -1.804 1.00 24.23 C ATOM 1304 O GLU A 83 13.816 10.626 -2.901 1.00 73.43 O ATOM 1305 CB GLU A 83 13.069 11.354 0.163 1.00 34.05 C ATOM 1306 CG GLU A 83 11.798 12.125 0.479 1.00 32.22 C ATOM 1307 CD GLU A 83 11.915 12.948 1.747 1.00 34.24 C ATOM 1308 OE1 GLU A 83 11.797 12.364 2.845 1.00 1.44 O ATOM 1309 OE2 GLU A 83 12.123 14.174 1.642 1.00 10.53 O ATOM 0 H GLU A 83 13.004 9.037 1.013 1.00 0.41 H new ATOM 0 HA GLU A 83 11.889 10.269 -1.268 1.00 72.20 H new ATOM 0 HB2 GLU A 83 13.516 11.009 1.095 1.00 34.05 H new ATOM 0 HB3 GLU A 83 13.786 12.029 -0.304 1.00 34.05 H new ATOM 0 HG2 GLU A 83 11.560 12.783 -0.356 1.00 32.22 H new ATOM 0 HG3 GLU A 83 10.969 11.425 0.580 1.00 32.22 H new ATOM 1316 N ASP A 84 15.047 9.418 -1.456 1.00 54.31 N ATOM 1317 CA ASP A 84 16.178 9.280 -2.365 1.00 62.55 C ATOM 1318 C ASP A 84 15.747 8.622 -3.673 1.00 22.23 C ATOM 1319 O ASP A 84 16.241 8.966 -4.747 1.00 4.52 O ATOM 1320 CB ASP A 84 17.290 8.459 -1.709 1.00 74.23 C ATOM 1321 CG ASP A 84 18.555 9.265 -1.495 1.00 2.32 C ATOM 1322 OD1 ASP A 84 18.556 10.141 -0.605 1.00 4.12 O ATOM 1323 OD2 ASP A 84 19.544 9.021 -2.217 1.00 43.44 O ATOM 0 H ASP A 84 15.175 8.965 -0.551 1.00 54.31 H new ATOM 0 HA ASP A 84 16.557 10.277 -2.588 1.00 62.55 H new ATOM 0 HB2 ASP A 84 16.939 8.078 -0.750 1.00 74.23 H new ATOM 0 HB3 ASP A 84 17.515 7.594 -2.333 1.00 74.23 H new ATOM 1328 N THR A 85 14.823 7.671 -3.575 1.00 11.24 N ATOM 1329 CA THR A 85 14.327 6.963 -4.748 1.00 11.40 C ATOM 1330 C THR A 85 12.885 7.350 -5.055 1.00 14.34 C ATOM 1331 O THR A 85 12.239 6.746 -5.911 1.00 13.11 O ATOM 1332 CB THR A 85 14.408 5.437 -4.559 1.00 71.21 C ATOM 1333 OG1 THR A 85 13.669 5.047 -3.396 1.00 2.21 O ATOM 1334 CG2 THR A 85 15.854 4.984 -4.423 1.00 11.41 C ATOM 0 H THR A 85 14.403 7.374 -2.694 1.00 11.24 H new ATOM 0 HA THR A 85 14.964 7.252 -5.584 1.00 11.40 H new ATOM 0 HB THR A 85 13.976 4.961 -5.439 1.00 71.21 H new ATOM 0 HG1 THR A 85 13.724 4.075 -3.284 1.00 2.21 H new ATOM 0 HG21 THR A 85 15.886 3.903 -4.290 1.00 11.41 H new ATOM 0 HG22 THR A 85 16.407 5.256 -5.322 1.00 11.41 H new ATOM 0 HG23 THR A 85 16.307 5.469 -3.558 1.00 11.41 H new ATOM 1342 N ARG A 86 12.386 8.361 -4.351 1.00 14.03 N ATOM 1343 CA ARG A 86 11.019 8.828 -4.548 1.00 14.01 C ATOM 1344 C ARG A 86 10.870 9.521 -5.899 1.00 64.44 C ATOM 1345 O ARG A 86 11.548 10.510 -6.180 1.00 11.44 O ATOM 1346 CB ARG A 86 10.617 9.786 -3.425 1.00 5.40 C ATOM 1347 CG ARG A 86 9.207 10.334 -3.566 1.00 75.44 C ATOM 1348 CD ARG A 86 8.695 10.901 -2.252 1.00 34.24 C ATOM 1349 NE ARG A 86 8.016 12.181 -2.435 1.00 74.40 N ATOM 1350 CZ ARG A 86 7.830 13.061 -1.458 1.00 32.24 C ATOM 1351 NH1 ARG A 86 8.270 12.801 -0.234 1.00 65.24 N ATOM 1352 NH2 ARG A 86 7.203 14.204 -1.703 1.00 14.11 N ATOM 0 H ARG A 86 12.908 8.872 -3.639 1.00 14.03 H new ATOM 0 HA ARG A 86 10.360 7.960 -4.529 1.00 14.01 H new ATOM 0 HB2 ARG A 86 10.702 9.268 -2.470 1.00 5.40 H new ATOM 0 HB3 ARG A 86 11.320 10.618 -3.400 1.00 5.40 H new ATOM 0 HG2 ARG A 86 9.193 11.112 -4.329 1.00 75.44 H new ATOM 0 HG3 ARG A 86 8.540 9.542 -3.906 1.00 75.44 H new ATOM 0 HD2 ARG A 86 8.009 10.189 -1.793 1.00 34.24 H new ATOM 0 HD3 ARG A 86 9.530 11.029 -1.563 1.00 34.24 H new ATOM 0 HE ARG A 86 7.665 12.412 -3.365 1.00 74.40 H new ATOM 0 HH11 ARG A 86 8.753 11.923 -0.041 1.00 65.24 H new ATOM 0 HH12 ARG A 86 8.126 13.479 0.514 1.00 65.24 H new ATOM 0 HH21 ARG A 86 6.863 14.408 -2.643 1.00 14.11 H new ATOM 0 HH22 ARG A 86 7.061 14.879 -0.952 1.00 14.11 H new ATOM 1366 N LEU A 87 9.981 8.994 -6.734 1.00 20.22 N ATOM 1367 CA LEU A 87 9.744 9.561 -8.057 1.00 33.51 C ATOM 1368 C LEU A 87 8.553 10.514 -8.035 1.00 44.14 C ATOM 1369 O LEU A 87 8.672 11.678 -8.416 1.00 42.13 O ATOM 1370 CB LEU A 87 9.500 8.445 -9.075 1.00 12.11 C ATOM 1371 CG LEU A 87 10.594 8.243 -10.124 1.00 54.11 C ATOM 1372 CD1 LEU A 87 10.199 7.148 -11.103 1.00 13.21 C ATOM 1373 CD2 LEU A 87 10.873 9.545 -10.861 1.00 75.23 C ATOM 0 H LEU A 87 9.413 8.175 -6.518 1.00 20.22 H new ATOM 0 HA LEU A 87 10.631 10.124 -8.349 1.00 33.51 H new ATOM 0 HB2 LEU A 87 9.367 7.509 -8.533 1.00 12.11 H new ATOM 0 HB3 LEU A 87 8.562 8.650 -9.592 1.00 12.11 H new ATOM 0 HG LEU A 87 11.507 7.934 -9.615 1.00 54.11 H new ATOM 0 HD11 LEU A 87 10.990 7.018 -11.842 1.00 13.21 H new ATOM 0 HD12 LEU A 87 10.050 6.213 -10.563 1.00 13.21 H new ATOM 0 HD13 LEU A 87 9.273 7.427 -11.607 1.00 13.21 H new ATOM 0 HD21 LEU A 87 11.654 9.383 -11.604 1.00 75.23 H new ATOM 0 HD22 LEU A 87 9.964 9.883 -11.358 1.00 75.23 H new ATOM 0 HD23 LEU A 87 11.201 10.303 -10.149 1.00 75.23 H new ATOM 1385 N GLU A 88 7.408 10.012 -7.585 1.00 53.32 N ATOM 1386 CA GLU A 88 6.196 10.821 -7.513 1.00 5.03 C ATOM 1387 C GLU A 88 5.519 10.666 -6.154 1.00 4.11 C ATOM 1388 O GLU A 88 5.938 9.856 -5.328 1.00 44.21 O ATOM 1389 CB GLU A 88 5.225 10.426 -8.627 1.00 21.41 C ATOM 1390 CG GLU A 88 4.738 11.602 -9.456 1.00 1.33 C ATOM 1391 CD GLU A 88 4.216 11.182 -10.816 1.00 23.41 C ATOM 1392 OE1 GLU A 88 4.788 10.240 -11.404 1.00 74.33 O ATOM 1393 OE2 GLU A 88 3.238 11.794 -11.292 1.00 34.31 O ATOM 0 H GLU A 88 7.293 9.050 -7.265 1.00 53.32 H new ATOM 0 HA GLU A 88 6.479 11.866 -7.642 1.00 5.03 H new ATOM 0 HB2 GLU A 88 5.713 9.706 -9.284 1.00 21.41 H new ATOM 0 HB3 GLU A 88 4.365 9.922 -8.186 1.00 21.41 H new ATOM 0 HG2 GLU A 88 3.949 12.122 -8.913 1.00 1.33 H new ATOM 0 HG3 GLU A 88 5.555 12.311 -9.588 1.00 1.33 H new ATOM 1400 N GLY A 89 4.469 11.450 -5.930 1.00 1.13 N ATOM 1401 CA GLY A 89 3.751 11.386 -4.670 1.00 72.33 C ATOM 1402 C GLY A 89 4.274 12.380 -3.653 1.00 1.20 C ATOM 1403 O GLY A 89 5.070 13.264 -3.970 1.00 50.40 O ATOM 0 H GLY A 89 4.103 12.128 -6.598 1.00 1.13 H new ATOM 0 HA2 GLY A 89 2.693 11.577 -4.849 1.00 72.33 H new ATOM 0 HA3 GLY A 89 3.829 10.378 -4.262 1.00 72.33 H new ATOM 1407 N PRO A 90 3.821 12.242 -2.398 1.00 4.41 N ATOM 1408 CA PRO A 90 2.873 11.194 -2.009 1.00 42.30 C ATOM 1409 C PRO A 90 1.482 11.426 -2.589 1.00 44.45 C ATOM 1410 O PRO A 90 1.200 12.489 -3.143 1.00 42.01 O ATOM 1411 CB PRO A 90 2.839 11.296 -0.482 1.00 61.30 C ATOM 1412 CG PRO A 90 3.226 12.704 -0.187 1.00 74.11 C ATOM 1413 CD PRO A 90 4.200 13.100 -1.262 1.00 31.40 C ATOM 0 HA PRO A 90 3.175 10.214 -2.378 1.00 42.30 H new ATOM 0 HB2 PRO A 90 1.847 11.068 -0.092 1.00 61.30 H new ATOM 0 HB3 PRO A 90 3.532 10.591 -0.023 1.00 61.30 H new ATOM 0 HG2 PRO A 90 2.354 13.357 -0.191 1.00 74.11 H new ATOM 0 HG3 PRO A 90 3.680 12.785 0.800 1.00 74.11 H new ATOM 0 HD2 PRO A 90 4.115 14.158 -1.511 1.00 31.40 H new ATOM 0 HD3 PRO A 90 5.231 12.927 -0.954 1.00 31.40 H new ATOM 1421 N TRP A 91 0.618 10.427 -2.459 1.00 32.12 N ATOM 1422 CA TRP A 91 -0.745 10.523 -2.971 1.00 4.23 C ATOM 1423 C TRP A 91 -1.737 9.896 -1.998 1.00 71.42 C ATOM 1424 O TRP A 91 -1.419 8.922 -1.316 1.00 51.11 O ATOM 1425 CB TRP A 91 -0.848 9.841 -4.336 1.00 21.44 C ATOM 1426 CG TRP A 91 -0.242 10.642 -5.448 1.00 14.11 C ATOM 1427 CD1 TRP A 91 -0.265 12.001 -5.585 1.00 63.35 C ATOM 1428 CD2 TRP A 91 0.473 10.134 -6.579 1.00 43.01 C ATOM 1429 NE1 TRP A 91 0.394 12.368 -6.734 1.00 70.22 N ATOM 1430 CE2 TRP A 91 0.857 11.241 -7.361 1.00 53.20 C ATOM 1431 CE3 TRP A 91 0.829 8.852 -7.006 1.00 43.14 C ATOM 1432 CZ2 TRP A 91 1.576 11.103 -8.545 1.00 25.52 C ATOM 1433 CZ3 TRP A 91 1.543 8.716 -8.182 1.00 4.23 C ATOM 1434 CH2 TRP A 91 1.912 9.836 -8.939 1.00 74.25 C ATOM 0 H TRP A 91 0.836 9.541 -2.004 1.00 32.12 H new ATOM 0 HA TRP A 91 -0.992 11.579 -3.082 1.00 4.23 H new ATOM 0 HB2 TRP A 91 -0.355 8.870 -4.287 1.00 21.44 H new ATOM 0 HB3 TRP A 91 -1.898 9.655 -4.563 1.00 21.44 H new ATOM 0 HD1 TRP A 91 -0.732 12.686 -4.893 1.00 63.35 H new ATOM 0 HE1 TRP A 91 0.518 13.324 -7.066 1.00 70.22 H new ATOM 0 HE3 TRP A 91 0.551 7.983 -6.428 1.00 43.14 H new ATOM 0 HZ2 TRP A 91 1.859 11.965 -9.132 1.00 25.52 H new ATOM 0 HZ3 TRP A 91 1.821 7.730 -8.523 1.00 4.23 H new ATOM 0 HH2 TRP A 91 2.473 9.697 -9.851 1.00 74.25 H new ATOM 1445 N GLU A 92 -2.940 10.459 -1.940 1.00 43.34 N ATOM 1446 CA GLU A 92 -3.978 9.953 -1.050 1.00 3.41 C ATOM 1447 C GLU A 92 -5.288 9.748 -1.804 1.00 35.23 C ATOM 1448 O GLU A 92 -5.686 10.581 -2.618 1.00 51.31 O ATOM 1449 CB GLU A 92 -4.194 10.919 0.118 1.00 60.54 C ATOM 1450 CG GLU A 92 -3.118 10.831 1.187 1.00 41.22 C ATOM 1451 CD GLU A 92 -2.907 12.147 1.911 1.00 62.23 C ATOM 1452 OE1 GLU A 92 -3.846 12.607 2.593 1.00 71.15 O ATOM 1453 OE2 GLU A 92 -1.801 12.716 1.795 1.00 30.01 O ATOM 0 H GLU A 92 -3.219 11.265 -2.499 1.00 43.34 H new ATOM 0 HA GLU A 92 -3.649 8.990 -0.660 1.00 3.41 H new ATOM 0 HB2 GLU A 92 -4.230 11.938 -0.266 1.00 60.54 H new ATOM 0 HB3 GLU A 92 -5.164 10.715 0.573 1.00 60.54 H new ATOM 0 HG2 GLU A 92 -3.391 10.062 1.910 1.00 41.22 H new ATOM 0 HG3 GLU A 92 -2.180 10.518 0.728 1.00 41.22 H new ATOM 1460 N TYR A 93 -5.954 8.632 -1.527 1.00 15.54 N ATOM 1461 CA TYR A 93 -7.219 8.315 -2.180 1.00 23.20 C ATOM 1462 C TYR A 93 -8.191 7.666 -1.199 1.00 42.14 C ATOM 1463 O TYR A 93 -7.786 7.137 -0.165 1.00 75.20 O ATOM 1464 CB TYR A 93 -6.982 7.385 -3.371 1.00 62.11 C ATOM 1465 CG TYR A 93 -6.143 8.005 -4.466 1.00 75.11 C ATOM 1466 CD1 TYR A 93 -6.730 8.767 -5.470 1.00 23.44 C ATOM 1467 CD2 TYR A 93 -4.766 7.828 -4.498 1.00 2.50 C ATOM 1468 CE1 TYR A 93 -5.968 9.335 -6.473 1.00 31.45 C ATOM 1469 CE2 TYR A 93 -3.996 8.394 -5.496 1.00 72.11 C ATOM 1470 CZ TYR A 93 -4.602 9.146 -6.481 1.00 62.21 C ATOM 1471 OH TYR A 93 -3.839 9.709 -7.478 1.00 2.51 O ATOM 0 H TYR A 93 -5.639 7.932 -0.855 1.00 15.54 H new ATOM 0 HA TYR A 93 -7.659 9.247 -2.536 1.00 23.20 H new ATOM 0 HB2 TYR A 93 -6.492 6.477 -3.020 1.00 62.11 H new ATOM 0 HB3 TYR A 93 -7.945 7.088 -3.787 1.00 62.11 H new ATOM 0 HD1 TYR A 93 -7.799 8.917 -5.466 1.00 23.44 H new ATOM 0 HD2 TYR A 93 -4.289 7.238 -3.730 1.00 2.50 H new ATOM 0 HE1 TYR A 93 -6.439 9.924 -7.246 1.00 31.45 H new ATOM 0 HE2 TYR A 93 -2.926 8.248 -5.505 1.00 72.11 H new ATOM 0 HH TYR A 93 -2.896 9.481 -7.337 1.00 2.51 H new ATOM 1481 N GLY A 94 -9.477 7.711 -1.534 1.00 0.22 N ATOM 1482 CA GLY A 94 -10.488 7.124 -0.674 1.00 10.31 C ATOM 1483 C GLY A 94 -11.021 8.108 0.350 1.00 64.55 C ATOM 1484 O GLY A 94 -11.041 9.314 0.108 1.00 73.23 O ATOM 0 H GLY A 94 -9.836 8.143 -2.385 1.00 0.22 H new ATOM 0 HA2 GLY A 94 -11.313 6.758 -1.285 1.00 10.31 H new ATOM 0 HA3 GLY A 94 -10.066 6.261 -0.159 1.00 10.31 H new ATOM 1488 N GLU A 95 -11.454 7.591 1.495 1.00 23.41 N ATOM 1489 CA GLU A 95 -11.991 8.433 2.557 1.00 33.54 C ATOM 1490 C GLU A 95 -10.978 9.493 2.976 1.00 4.44 C ATOM 1491 O GLU A 95 -11.306 10.676 3.072 1.00 64.50 O ATOM 1492 CB GLU A 95 -12.382 7.580 3.766 1.00 33.50 C ATOM 1493 CG GLU A 95 -12.746 8.396 4.995 1.00 23.30 C ATOM 1494 CD GLU A 95 -13.561 7.605 6.000 1.00 3.32 C ATOM 1495 OE1 GLU A 95 -14.784 7.464 5.791 1.00 0.14 O ATOM 1496 OE2 GLU A 95 -12.976 7.128 6.995 1.00 11.41 O ATOM 0 H GLU A 95 -11.444 6.594 1.711 1.00 23.41 H new ATOM 0 HA GLU A 95 -12.879 8.935 2.173 1.00 33.54 H new ATOM 0 HB2 GLU A 95 -13.228 6.949 3.496 1.00 33.50 H new ATOM 0 HB3 GLU A 95 -11.555 6.915 4.014 1.00 33.50 H new ATOM 0 HG2 GLU A 95 -11.834 8.753 5.473 1.00 23.30 H new ATOM 0 HG3 GLU A 95 -13.310 9.277 4.688 1.00 23.30 H new