USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 929 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 Single : A 26 THR OG1 : rot -22:sc= 0.235 USER MOD Single : A 28 SER OG : rot 180:sc= -0.018 USER MOD Single : A 30 SER OG : rot 180:sc= -0.07 USER MOD Single : A 33 ASN :FLIP amide:sc= -2.33 F(o=-7.2!,f=-2.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.344 USER MOD Single : A 43 SER OG : rot -35:sc= 0.507 USER MOD Single : A 45 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0771 F(o=-2.8!,f=-0.077) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 75 THR OG1 : rot -71:sc= -2.18! USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 164:sc= 1.14 USER MOD Single : B 35 SER OG : rot -8:sc= -0.143 USER MOD Single : B 38 LYS NZ :NH3+ -150:sc= 0.917 (180deg=0.0248) USER MOD Single : B 40 THR OG1 : rot 159:sc= 0.0849 USER MOD Single : B 41 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.16) USER MOD Single : B 43 LYS NZ :NH3+ -117:sc= 0.94 (180deg=-0.898) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot -135:sc= 1.23 USER MOD Single : B 60 MET CE :methyl 176:sc= -0.0155 (180deg=-0.0493) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.54) USER MOD Single : B 68 ASN : amide:sc= -2.83 K(o=-2.8,f=-9.2!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -16.948 -2.675 -11.594 1.00 0.00 N ATOM 2 CA THR A 26 -15.694 -3.224 -11.043 1.00 0.00 C ATOM 3 C THR A 26 -15.696 -3.169 -9.520 1.00 0.00 C ATOM 4 O THR A 26 -15.716 -2.089 -8.922 1.00 0.00 O ATOM 5 CB THR A 26 -14.469 -2.463 -11.585 1.00 0.00 C ATOM 6 OG1 THR A 26 -14.691 -1.047 -11.510 1.00 0.00 O ATOM 7 CG2 THR A 26 -14.180 -2.863 -13.024 1.00 0.00 C ATOM 0 HA THR A 26 -15.629 -4.265 -11.359 1.00 0.00 H new ATOM 0 HB THR A 26 -13.607 -2.723 -10.970 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.654 -0.869 -11.469 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.311 -2.314 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.978 -3.933 -13.071 1.00 0.00 H new ATOM 0 HG23 THR A 26 -15.043 -2.629 -13.647 1.00 0.00 H new ATOM 15 N GLY A 27 -15.699 -4.337 -8.902 1.00 0.00 N ATOM 16 CA GLY A 27 -15.674 -4.423 -7.462 1.00 0.00 C ATOM 17 C GLY A 27 -15.794 -5.853 -6.990 1.00 0.00 C ATOM 18 O GLY A 27 -16.883 -6.427 -7.000 1.00 0.00 O ATOM 0 H GLY A 27 -15.719 -5.238 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.746 -3.992 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -16.491 -3.832 -7.047 1.00 0.00 H new ATOM 22 N SER A 28 -14.674 -6.446 -6.608 1.00 0.00 N ATOM 23 CA SER A 28 -14.661 -7.825 -6.145 1.00 0.00 C ATOM 24 C SER A 28 -13.516 -8.066 -5.172 1.00 0.00 C ATOM 25 O SER A 28 -12.732 -7.165 -4.873 1.00 0.00 O ATOM 26 CB SER A 28 -14.530 -8.786 -7.328 1.00 0.00 C ATOM 27 OG SER A 28 -15.615 -8.647 -8.231 1.00 0.00 O ATOM 0 H SER A 28 -13.760 -5.993 -6.609 1.00 0.00 H new ATOM 0 HA SER A 28 -15.604 -8.009 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.593 -8.596 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.488 -9.812 -6.962 1.00 0.00 H new ATOM 0 HG SER A 28 -15.502 -9.273 -8.977 1.00 0.00 H new ATOM 33 N LEU A 29 -13.450 -9.292 -4.677 1.00 0.00 N ATOM 34 CA LEU A 29 -12.394 -9.724 -3.783 1.00 0.00 C ATOM 35 C LEU A 29 -11.789 -11.009 -4.328 1.00 0.00 C ATOM 36 O LEU A 29 -12.234 -11.509 -5.364 1.00 0.00 O ATOM 37 CB LEU A 29 -12.961 -9.958 -2.388 1.00 0.00 C ATOM 38 CG LEU A 29 -13.689 -8.759 -1.778 1.00 0.00 C ATOM 39 CD1 LEU A 29 -14.442 -9.171 -0.527 1.00 0.00 C ATOM 40 CD2 LEU A 29 -12.709 -7.642 -1.463 1.00 0.00 C ATOM 0 H LEU A 29 -14.134 -10.019 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.623 -8.956 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.651 -10.801 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.146 -10.246 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.409 -8.390 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.953 -8.304 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.175 -9.938 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.740 -9.568 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.246 -6.798 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.964 -8.001 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.213 -7.324 -2.380 1.00 0.00 H new ATOM 52 N SER A 30 -10.788 -11.549 -3.654 1.00 0.00 N ATOM 53 CA SER A 30 -10.136 -12.754 -4.141 1.00 0.00 C ATOM 54 C SER A 30 -9.580 -13.611 -3.010 1.00 0.00 C ATOM 55 O SER A 30 -8.797 -13.127 -2.198 1.00 0.00 O ATOM 56 CB SER A 30 -9.011 -12.380 -5.105 1.00 0.00 C ATOM 57 OG SER A 30 -9.506 -11.632 -6.200 1.00 0.00 O ATOM 0 H SER A 30 -10.413 -11.179 -2.781 1.00 0.00 H new ATOM 0 HA SER A 30 -10.892 -13.346 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.253 -11.800 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.524 -13.285 -5.469 1.00 0.00 H new ATOM 0 HG SER A 30 -8.767 -11.404 -6.801 1.00 0.00 H new ATOM 63 N VAL A 31 -10.031 -14.874 -2.985 1.00 0.00 N ATOM 64 CA VAL A 31 -9.476 -15.978 -2.167 1.00 0.00 C ATOM 65 C VAL A 31 -9.510 -15.766 -0.641 1.00 0.00 C ATOM 66 O VAL A 31 -9.825 -16.710 0.085 1.00 0.00 O ATOM 67 CB VAL A 31 -8.046 -16.391 -2.616 1.00 0.00 C ATOM 68 CG1 VAL A 31 -7.998 -16.584 -4.123 1.00 0.00 C ATOM 69 CG2 VAL A 31 -6.982 -15.401 -2.172 1.00 0.00 C ATOM 0 H VAL A 31 -10.823 -15.172 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.169 -16.795 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.821 -17.337 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.990 -16.873 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.700 -17.366 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.269 -15.652 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.004 -15.741 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.196 -14.421 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.982 -15.330 -1.084 1.00 0.00 H new ATOM 79 N ASP A 32 -9.191 -14.572 -0.156 1.00 0.00 N ATOM 80 CA ASP A 32 -9.146 -14.297 1.282 1.00 0.00 C ATOM 81 C ASP A 32 -8.104 -15.180 1.971 1.00 0.00 C ATOM 82 O ASP A 32 -8.432 -16.173 2.627 1.00 0.00 O ATOM 83 CB ASP A 32 -10.531 -14.478 1.929 1.00 0.00 C ATOM 84 CG ASP A 32 -10.504 -14.329 3.443 1.00 0.00 C ATOM 85 OD1 ASP A 32 -9.661 -13.568 3.962 1.00 0.00 O1- ATOM 86 OD2 ASP A 32 -11.318 -14.991 4.129 1.00 0.00 O ATOM 0 H ASP A 32 -8.957 -13.770 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.852 -13.256 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.220 -13.745 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.919 -15.464 1.673 1.00 0.00 H new ATOM 91 N ASN A 33 -6.838 -14.834 1.784 1.00 0.00 N ATOM 92 CA ASN A 33 -5.754 -15.505 2.497 1.00 0.00 C ATOM 93 C ASN A 33 -4.960 -14.520 3.346 1.00 0.00 C ATOM 94 O ASN A 33 -4.371 -14.884 4.358 1.00 0.00 O ATOM 95 CB ASN A 33 -4.826 -16.274 1.541 1.00 0.00 C ATOM 96 CG ASN A 33 -4.387 -15.514 0.296 1.00 0.00 C ATOM 97 OD1 ASN A 33 -4.108 -14.230 0.424 1.00 0.00 O flip ATOM 98 ND2 ASN A 33 -4.261 -16.101 -0.779 1.00 0.00 N flip ATOM 0 H ASN A 33 -6.535 -14.096 1.148 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.215 -16.235 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.936 -16.577 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.333 -17.187 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.484 -17.094 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.933 -15.594 -1.601 1.00 0.00 H new ATOM 105 N LYS A 34 -4.949 -13.274 2.915 1.00 0.00 N ATOM 106 CA LYS A 34 -4.306 -12.200 3.668 1.00 0.00 C ATOM 107 C LYS A 34 -5.334 -11.159 4.079 1.00 0.00 C ATOM 108 O LYS A 34 -6.476 -11.193 3.623 1.00 0.00 O ATOM 109 CB LYS A 34 -3.230 -11.514 2.828 1.00 0.00 C ATOM 110 CG LYS A 34 -2.175 -12.454 2.272 1.00 0.00 C ATOM 111 CD LYS A 34 -1.385 -13.114 3.385 1.00 0.00 C ATOM 112 CE LYS A 34 -0.532 -14.255 2.864 1.00 0.00 C ATOM 113 NZ LYS A 34 0.613 -13.771 2.052 1.00 0.00 N1+ ATOM 0 H LYS A 34 -5.380 -12.973 2.041 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.848 -12.643 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.710 -10.995 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.739 -10.756 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.652 -13.218 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.498 -11.901 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.747 -12.373 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.070 -13.489 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.158 -14.840 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.148 -14.921 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.169 -14.584 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.257 -13.234 1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.216 -13.156 2.635 1.00 0.00 H new ATOM 127 N LYS A 35 -4.918 -10.228 4.926 1.00 0.00 N ATOM 128 CA LYS A 35 -5.781 -9.133 5.335 1.00 0.00 C ATOM 129 C LYS A 35 -5.086 -7.801 5.121 1.00 0.00 C ATOM 130 O LYS A 35 -3.905 -7.648 5.434 1.00 0.00 O ATOM 131 CB LYS A 35 -6.179 -9.254 6.805 1.00 0.00 C ATOM 132 CG LYS A 35 -7.083 -10.430 7.116 1.00 0.00 C ATOM 133 CD LYS A 35 -7.466 -10.431 8.582 1.00 0.00 C ATOM 134 CE LYS A 35 -8.329 -11.628 8.939 1.00 0.00 C ATOM 135 NZ LYS A 35 -8.663 -11.649 10.385 1.00 0.00 N1+ ATOM 0 H LYS A 35 -3.987 -10.211 5.343 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.681 -9.184 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.275 -9.338 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.681 -8.336 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.980 -10.379 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.576 -11.362 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.564 -10.438 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.003 -9.512 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.248 -11.602 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.806 -12.547 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.253 -12.480 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.787 -11.698 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.184 -10.784 10.634 1.00 0.00 H new ATOM 149 N PHE A 36 -5.820 -6.847 4.577 1.00 0.00 N ATOM 150 CA PHE A 36 -5.298 -5.510 4.342 1.00 0.00 C ATOM 151 C PHE A 36 -6.372 -4.494 4.709 1.00 0.00 C ATOM 152 O PHE A 36 -7.483 -4.569 4.205 1.00 0.00 O ATOM 153 CB PHE A 36 -4.894 -5.356 2.870 1.00 0.00 C ATOM 154 CG PHE A 36 -4.103 -6.522 2.331 1.00 0.00 C ATOM 155 CD1 PHE A 36 -2.735 -6.604 2.524 1.00 0.00 C ATOM 156 CD2 PHE A 36 -4.735 -7.542 1.633 1.00 0.00 C ATOM 157 CE1 PHE A 36 -2.011 -7.673 2.036 1.00 0.00 C ATOM 158 CE2 PHE A 36 -4.015 -8.614 1.141 1.00 0.00 C ATOM 159 CZ PHE A 36 -2.649 -8.678 1.342 1.00 0.00 C ATOM 0 H PHE A 36 -6.789 -6.974 4.287 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.414 -5.342 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.793 -5.229 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.304 -4.446 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.226 -5.820 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.802 -7.497 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.944 -7.722 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.519 -9.401 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.083 -9.513 0.956 1.00 0.00 H new ATOM 169 N TRP A 37 -6.063 -3.560 5.590 1.00 0.00 N ATOM 170 CA TRP A 37 -7.080 -2.639 6.089 1.00 0.00 C ATOM 171 C TRP A 37 -7.047 -1.308 5.349 1.00 0.00 C ATOM 172 O TRP A 37 -6.089 -0.553 5.457 1.00 0.00 O ATOM 173 CB TRP A 37 -6.898 -2.408 7.592 1.00 0.00 C ATOM 174 CG TRP A 37 -7.176 -3.628 8.416 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.318 -4.659 8.672 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.397 -3.941 9.097 1.00 0.00 C ATOM 177 NE1 TRP A 37 -6.934 -5.596 9.465 1.00 0.00 N ATOM 178 CE2 TRP A 37 -8.210 -5.177 9.742 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.631 -3.294 9.223 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -9.210 -5.780 10.502 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -10.622 -3.893 9.977 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.407 -5.124 10.608 1.00 0.00 C ATOM 0 H TRP A 37 -5.129 -3.416 5.974 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.053 -3.097 5.910 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.877 -2.075 7.781 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.560 -1.603 7.912 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.305 -4.727 8.305 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.511 -6.463 9.795 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.806 -2.344 8.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.047 -6.730 10.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -11.579 -3.403 10.081 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.202 -5.565 11.191 1.00 0.00 H new ATOM 193 N ALA A 38 -8.098 -1.028 4.596 1.00 0.00 N ATOM 194 CA ALA A 38 -8.202 0.229 3.870 1.00 0.00 C ATOM 195 C ALA A 38 -9.076 1.213 4.632 1.00 0.00 C ATOM 196 O ALA A 38 -10.231 0.916 4.940 1.00 0.00 O ATOM 197 CB ALA A 38 -8.771 -0.010 2.479 1.00 0.00 C ATOM 0 H ALA A 38 -8.893 -1.655 4.471 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.203 0.655 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.843 0.939 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.116 -0.685 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.762 -0.455 2.563 1.00 0.00 H new ATOM 203 N THR A 39 -8.529 2.377 4.945 1.00 0.00 N ATOM 204 CA THR A 39 -9.302 3.409 5.602 1.00 0.00 C ATOM 205 C THR A 39 -9.853 4.379 4.554 1.00 0.00 C ATOM 206 O THR A 39 -9.110 5.140 3.931 1.00 0.00 O ATOM 207 CB THR A 39 -8.487 4.149 6.705 1.00 0.00 C ATOM 208 OG1 THR A 39 -9.298 5.146 7.340 1.00 0.00 O ATOM 209 CG2 THR A 39 -7.218 4.804 6.164 1.00 0.00 C ATOM 0 H THR A 39 -7.558 2.626 4.755 1.00 0.00 H new ATOM 0 HA THR A 39 -10.137 2.935 6.118 1.00 0.00 H new ATOM 0 HB THR A 39 -8.186 3.391 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.774 5.602 8.032 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.692 5.304 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.572 4.041 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.483 5.535 5.400 1.00 0.00 H new ATOM 217 N VAL A 40 -11.158 4.299 4.325 1.00 0.00 N ATOM 218 CA VAL A 40 -11.814 5.102 3.305 1.00 0.00 C ATOM 219 C VAL A 40 -12.444 6.330 3.945 1.00 0.00 C ATOM 220 O VAL A 40 -12.972 6.254 5.056 1.00 0.00 O ATOM 221 CB VAL A 40 -12.905 4.304 2.555 1.00 0.00 C ATOM 222 CG1 VAL A 40 -13.194 4.925 1.197 1.00 0.00 C ATOM 223 CG2 VAL A 40 -12.512 2.839 2.414 1.00 0.00 C ATOM 0 H VAL A 40 -11.786 3.680 4.838 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.054 5.399 2.582 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.820 4.348 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -13.965 4.346 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.540 5.950 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.285 4.925 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.297 2.301 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.579 2.765 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.378 2.401 3.403 1.00 0.00 H new ATOM 233 N GLU A 41 -12.404 7.453 3.249 1.00 0.00 N ATOM 234 CA GLU A 41 -12.854 8.705 3.825 1.00 0.00 C ATOM 235 C GLU A 41 -13.969 9.324 2.999 1.00 0.00 C ATOM 236 O GLU A 41 -13.741 9.815 1.892 1.00 0.00 O ATOM 237 CB GLU A 41 -11.688 9.679 3.924 1.00 0.00 C ATOM 238 CG GLU A 41 -12.040 10.975 4.623 1.00 0.00 C ATOM 239 CD GLU A 41 -10.914 11.981 4.552 1.00 0.00 C ATOM 240 OE1 GLU A 41 -10.699 12.557 3.464 1.00 0.00 O1- ATOM 241 OE2 GLU A 41 -10.230 12.189 5.576 1.00 0.00 O ATOM 0 H GLU A 41 -12.066 7.522 2.289 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.244 8.496 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.868 9.199 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.326 9.903 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.935 11.400 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.278 10.771 5.667 1.00 0.00 H new ATOM 248 N SER A 42 -15.171 9.301 3.540 1.00 0.00 N ATOM 249 CA SER A 42 -16.302 9.936 2.896 1.00 0.00 C ATOM 250 C SER A 42 -16.571 11.289 3.546 1.00 0.00 C ATOM 251 O SER A 42 -15.918 11.654 4.527 1.00 0.00 O ATOM 252 CB SER A 42 -17.536 9.040 3.006 1.00 0.00 C ATOM 253 OG SER A 42 -17.849 8.765 4.364 1.00 0.00 O ATOM 0 H SER A 42 -15.389 8.848 4.427 1.00 0.00 H new ATOM 0 HA SER A 42 -16.075 10.090 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 42 -18.385 9.525 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.359 8.105 2.474 1.00 0.00 H new ATOM 0 HG SER A 42 -18.643 8.192 4.407 1.00 0.00 H new ATOM 259 N SER A 43 -17.533 12.022 3.004 1.00 0.00 N ATOM 260 CA SER A 43 -17.947 13.291 3.586 1.00 0.00 C ATOM 261 C SER A 43 -18.804 13.045 4.828 1.00 0.00 C ATOM 262 O SER A 43 -19.239 13.981 5.499 1.00 0.00 O ATOM 263 CB SER A 43 -18.719 14.119 2.552 1.00 0.00 C ATOM 264 OG SER A 43 -19.129 15.372 3.081 1.00 0.00 O ATOM 0 H SER A 43 -18.042 11.759 2.160 1.00 0.00 H new ATOM 0 HA SER A 43 -17.060 13.851 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.092 14.282 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 43 -19.594 13.561 2.219 1.00 0.00 H new ATOM 0 HG SER A 43 -19.351 15.270 4.030 1.00 0.00 H new ATOM 270 N GLU A 44 -19.039 11.774 5.127 1.00 0.00 N ATOM 271 CA GLU A 44 -19.870 11.396 6.255 1.00 0.00 C ATOM 272 C GLU A 44 -19.025 10.925 7.434 1.00 0.00 C ATOM 273 O GLU A 44 -19.173 11.429 8.548 1.00 0.00 O ATOM 274 CB GLU A 44 -20.844 10.299 5.838 1.00 0.00 C ATOM 275 CG GLU A 44 -21.772 10.719 4.714 1.00 0.00 C ATOM 276 CD GLU A 44 -22.693 9.606 4.273 1.00 0.00 C ATOM 277 OE1 GLU A 44 -23.778 9.457 4.870 1.00 0.00 O ATOM 278 OE2 GLU A 44 -22.339 8.879 3.323 1.00 0.00 O1- ATOM 0 H GLU A 44 -18.662 10.987 4.599 1.00 0.00 H new ATOM 0 HA GLU A 44 -20.429 12.276 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.279 9.421 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -21.440 10.004 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -22.368 11.571 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.178 11.052 3.863 1.00 0.00 H new ATOM 285 N HIS A 45 -18.140 9.964 7.187 1.00 0.00 N ATOM 286 CA HIS A 45 -17.336 9.371 8.252 1.00 0.00 C ATOM 287 C HIS A 45 -16.274 8.445 7.665 1.00 0.00 C ATOM 288 O HIS A 45 -16.577 7.613 6.809 1.00 0.00 O ATOM 289 CB HIS A 45 -18.253 8.592 9.210 1.00 0.00 C ATOM 290 CG HIS A 45 -17.553 7.961 10.376 1.00 0.00 C ATOM 291 ND1 HIS A 45 -17.237 8.645 11.529 1.00 0.00 N ATOM 292 CD2 HIS A 45 -17.129 6.690 10.569 1.00 0.00 C ATOM 293 CE1 HIS A 45 -16.650 7.825 12.379 1.00 0.00 C ATOM 294 NE2 HIS A 45 -16.574 6.634 11.822 1.00 0.00 N ATOM 0 H HIS A 45 -17.961 9.579 6.260 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.830 10.164 8.803 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -19.020 9.269 9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.765 7.812 8.646 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.212 5.873 9.868 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.292 8.086 13.364 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.168 5.804 12.253 1.00 0.00 H new ATOM 303 N SER A 46 -15.034 8.600 8.113 1.00 0.00 N ATOM 304 CA SER A 46 -13.952 7.728 7.682 1.00 0.00 C ATOM 305 C SER A 46 -14.100 6.348 8.322 1.00 0.00 C ATOM 306 O SER A 46 -14.406 6.238 9.508 1.00 0.00 O ATOM 307 CB SER A 46 -12.603 8.348 8.051 1.00 0.00 C ATOM 308 OG SER A 46 -12.589 8.775 9.404 1.00 0.00 O ATOM 0 H SER A 46 -14.754 9.323 8.776 1.00 0.00 H new ATOM 0 HA SER A 46 -13.999 7.613 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.808 7.620 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.398 9.196 7.397 1.00 0.00 H new ATOM 0 HG SER A 46 -11.715 9.166 9.615 1.00 0.00 H new ATOM 314 N PHE A 47 -13.900 5.300 7.540 1.00 0.00 N ATOM 315 CA PHE A 47 -14.073 3.940 8.033 1.00 0.00 C ATOM 316 C PHE A 47 -12.966 3.030 7.527 1.00 0.00 C ATOM 317 O PHE A 47 -12.408 3.257 6.457 1.00 0.00 O ATOM 318 CB PHE A 47 -15.442 3.386 7.618 1.00 0.00 C ATOM 319 CG PHE A 47 -15.734 3.489 6.142 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.339 2.489 5.266 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.423 4.579 5.637 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.624 2.578 3.917 1.00 0.00 C ATOM 323 CE2 PHE A 47 -16.707 4.675 4.288 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.308 3.673 3.428 1.00 0.00 C ATOM 0 H PHE A 47 -13.618 5.363 6.562 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.021 3.971 9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.502 2.339 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -16.218 3.919 8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.802 1.631 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.743 5.364 6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.312 1.792 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.241 5.533 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.530 3.745 2.374 1.00 0.00 H new ATOM 334 N GLU A 48 -12.652 2.002 8.297 1.00 0.00 N ATOM 335 CA GLU A 48 -11.628 1.051 7.907 1.00 0.00 C ATOM 336 C GLU A 48 -12.254 -0.290 7.562 1.00 0.00 C ATOM 337 O GLU A 48 -12.929 -0.911 8.385 1.00 0.00 O ATOM 338 CB GLU A 48 -10.570 0.899 9.003 1.00 0.00 C ATOM 339 CG GLU A 48 -11.131 0.638 10.390 1.00 0.00 C ATOM 340 CD GLU A 48 -10.045 0.571 11.442 1.00 0.00 C ATOM 341 OE1 GLU A 48 -9.391 1.608 11.687 1.00 0.00 O1- ATOM 342 OE2 GLU A 48 -9.826 -0.515 12.019 1.00 0.00 O ATOM 0 H GLU A 48 -13.092 1.806 9.196 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.127 1.434 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.903 0.080 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.965 1.805 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.837 1.427 10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.688 -0.299 10.385 1.00 0.00 H new ATOM 349 N VAL A 49 -12.037 -0.718 6.336 1.00 0.00 N ATOM 350 CA VAL A 49 -12.615 -1.950 5.838 1.00 0.00 C ATOM 351 C VAL A 49 -11.517 -2.874 5.309 1.00 0.00 C ATOM 352 O VAL A 49 -10.614 -2.432 4.593 1.00 0.00 O ATOM 353 CB VAL A 49 -13.657 -1.655 4.731 1.00 0.00 C ATOM 354 CG1 VAL A 49 -13.041 -0.827 3.615 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.256 -2.943 4.183 1.00 0.00 C ATOM 0 H VAL A 49 -11.457 -0.224 5.658 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.125 -2.451 6.661 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.464 -1.075 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.792 -0.633 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.682 0.119 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.207 -1.373 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.984 -2.705 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.464 -3.561 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.749 -3.487 4.989 1.00 0.00 H new ATOM 365 N PRO A 50 -11.541 -4.157 5.699 1.00 0.00 N ATOM 366 CA PRO A 50 -10.572 -5.137 5.217 1.00 0.00 C ATOM 367 C PRO A 50 -10.722 -5.413 3.725 1.00 0.00 C ATOM 368 O PRO A 50 -11.832 -5.544 3.207 1.00 0.00 O ATOM 369 CB PRO A 50 -10.884 -6.405 6.024 1.00 0.00 C ATOM 370 CG PRO A 50 -11.756 -5.959 7.148 1.00 0.00 C ATOM 371 CD PRO A 50 -12.494 -4.752 6.649 1.00 0.00 C ATOM 0 HA PRO A 50 -9.550 -4.781 5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.389 -7.148 5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.970 -6.868 6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.450 -6.747 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.162 -5.716 8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.432 -5.023 6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.740 -4.065 7.459 1.00 0.00 H new ATOM 379 N ILE A 51 -9.591 -5.510 3.051 1.00 0.00 N ATOM 380 CA ILE A 51 -9.546 -5.839 1.640 1.00 0.00 C ATOM 381 C ILE A 51 -9.114 -7.286 1.506 1.00 0.00 C ATOM 382 O ILE A 51 -8.197 -7.729 2.201 1.00 0.00 O ATOM 383 CB ILE A 51 -8.537 -4.944 0.880 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.828 -3.461 1.126 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.557 -5.252 -0.613 1.00 0.00 C ATOM 386 CD1 ILE A 51 -10.138 -2.982 0.539 1.00 0.00 C ATOM 0 H ILE A 51 -8.673 -5.362 3.470 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.534 -5.676 1.210 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.540 -5.164 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.835 -3.277 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.016 -2.868 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.840 -4.611 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.289 -6.296 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.556 -5.069 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.269 -1.922 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.129 -3.132 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.961 -3.547 0.977 1.00 0.00 H new ATOM 398 N TYR A 52 -9.774 -8.022 0.634 1.00 0.00 N ATOM 399 CA TYR A 52 -9.521 -9.450 0.524 1.00 0.00 C ATOM 400 C TYR A 52 -8.995 -9.789 -0.856 1.00 0.00 C ATOM 401 O TYR A 52 -9.704 -9.654 -1.853 1.00 0.00 O ATOM 402 CB TYR A 52 -10.794 -10.242 0.832 1.00 0.00 C ATOM 403 CG TYR A 52 -11.315 -10.014 2.235 1.00 0.00 C ATOM 404 CD1 TYR A 52 -10.784 -10.710 3.311 1.00 0.00 C ATOM 405 CD2 TYR A 52 -12.333 -9.101 2.482 1.00 0.00 C ATOM 406 CE1 TYR A 52 -11.250 -10.504 4.594 1.00 0.00 C ATOM 407 CE2 TYR A 52 -12.805 -8.889 3.763 1.00 0.00 C ATOM 408 CZ TYR A 52 -12.260 -9.595 4.814 1.00 0.00 C ATOM 409 OH TYR A 52 -12.721 -9.386 6.095 1.00 0.00 O ATOM 0 H TYR A 52 -10.483 -7.662 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.762 -9.728 1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.568 -9.967 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.595 -11.305 0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.993 -11.425 3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.762 -8.548 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.824 -11.053 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.596 -8.175 3.940 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.434 -8.713 6.081 1.00 0.00 H new ATOM 419 N ALA A 53 -7.746 -10.225 -0.910 1.00 0.00 N ATOM 420 CA ALA A 53 -7.104 -10.525 -2.175 1.00 0.00 C ATOM 421 C ALA A 53 -6.088 -11.645 -2.026 1.00 0.00 C ATOM 422 O ALA A 53 -5.850 -12.131 -0.917 1.00 0.00 O ATOM 423 CB ALA A 53 -6.438 -9.286 -2.737 1.00 0.00 C ATOM 0 H ALA A 53 -7.158 -10.378 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.875 -10.858 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.961 -9.528 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.187 -8.510 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.686 -8.927 -2.034 1.00 0.00 H new ATOM 429 N GLU A 54 -5.489 -12.050 -3.137 1.00 0.00 N ATOM 430 CA GLU A 54 -4.503 -13.118 -3.120 1.00 0.00 C ATOM 431 C GLU A 54 -3.153 -12.616 -2.609 1.00 0.00 C ATOM 432 O GLU A 54 -2.590 -13.184 -1.673 1.00 0.00 O ATOM 433 CB GLU A 54 -4.374 -13.756 -4.512 1.00 0.00 C ATOM 434 CG GLU A 54 -4.214 -12.759 -5.652 1.00 0.00 C ATOM 435 CD GLU A 54 -4.176 -13.432 -7.010 1.00 0.00 C ATOM 436 OE1 GLU A 54 -3.107 -13.937 -7.400 1.00 0.00 O ATOM 437 OE2 GLU A 54 -5.220 -13.461 -7.697 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.669 -11.655 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.846 -13.887 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.516 -14.428 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.257 -14.366 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.039 -12.047 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.296 -12.190 -5.506 1.00 0.00 H new ATOM 444 N THR A 55 -2.656 -11.534 -3.191 1.00 0.00 N ATOM 445 CA THR A 55 -1.361 -10.992 -2.810 1.00 0.00 C ATOM 446 C THR A 55 -1.436 -9.464 -2.724 1.00 0.00 C ATOM 447 O THR A 55 -2.480 -8.880 -3.039 1.00 0.00 O ATOM 448 CB THR A 55 -0.272 -11.428 -3.822 1.00 0.00 C ATOM 449 OG1 THR A 55 -0.615 -12.708 -4.374 1.00 0.00 O ATOM 450 CG2 THR A 55 1.096 -11.538 -3.163 1.00 0.00 C ATOM 0 H THR A 55 -3.131 -11.014 -3.929 1.00 0.00 H new ATOM 0 HA THR A 55 -1.091 -11.384 -1.829 1.00 0.00 H new ATOM 0 HB THR A 55 -0.224 -10.669 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.073 -12.983 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.833 -11.846 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.380 -10.570 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.056 -12.277 -2.363 1.00 0.00 H new ATOM 458 N LEU A 56 -0.351 -8.826 -2.282 1.00 0.00 N ATOM 459 CA LEU A 56 -0.312 -7.375 -2.095 1.00 0.00 C ATOM 460 C LEU A 56 -0.797 -6.615 -3.334 1.00 0.00 C ATOM 461 O LEU A 56 -1.615 -5.706 -3.213 1.00 0.00 O ATOM 462 CB LEU A 56 1.106 -6.910 -1.731 1.00 0.00 C ATOM 463 CG LEU A 56 1.470 -6.931 -0.238 1.00 0.00 C ATOM 464 CD1 LEU A 56 0.582 -5.981 0.544 1.00 0.00 C ATOM 465 CD2 LEU A 56 1.381 -8.338 0.329 1.00 0.00 C ATOM 0 H LEU A 56 0.521 -9.298 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.993 -7.149 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.819 -7.538 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.237 -5.893 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 56 2.502 -6.595 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.856 -6.011 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.711 -4.967 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.460 -6.281 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.644 -8.321 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.364 -8.713 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.071 -8.990 -0.206 1.00 0.00 H new ATOM 477 N ASP A 57 -0.296 -6.996 -4.513 1.00 0.00 N ATOM 478 CA ASP A 57 -0.663 -6.325 -5.770 1.00 0.00 C ATOM 479 C ASP A 57 -2.172 -6.243 -5.940 1.00 0.00 C ATOM 480 O ASP A 57 -2.729 -5.161 -6.125 1.00 0.00 O ATOM 481 CB ASP A 57 -0.074 -7.050 -6.988 1.00 0.00 C ATOM 482 CG ASP A 57 1.364 -6.675 -7.279 1.00 0.00 C ATOM 483 OD1 ASP A 57 1.613 -5.530 -7.722 1.00 0.00 O ATOM 484 OD2 ASP A 57 2.253 -7.537 -7.103 1.00 0.00 O1- ATOM 0 H ASP A 57 0.365 -7.765 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.250 -5.318 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.134 -8.126 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.684 -6.826 -7.864 1.00 0.00 H new ATOM 489 N GLU A 58 -2.824 -7.397 -5.869 1.00 0.00 N ATOM 490 CA GLU A 58 -4.266 -7.484 -6.054 1.00 0.00 C ATOM 491 C GLU A 58 -4.994 -6.619 -5.031 1.00 0.00 C ATOM 492 O GLU A 58 -5.918 -5.885 -5.370 1.00 0.00 O ATOM 493 CB GLU A 58 -4.717 -8.938 -5.926 1.00 0.00 C ATOM 494 CG GLU A 58 -6.169 -9.173 -6.305 1.00 0.00 C ATOM 495 CD GLU A 58 -6.428 -8.936 -7.777 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.754 -9.578 -8.610 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -7.313 -8.122 -8.110 1.00 0.00 O ATOM 0 H GLU A 58 -2.372 -8.292 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.512 -7.117 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.083 -9.561 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.564 -9.266 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.447 -10.196 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.806 -8.513 -5.716 1.00 0.00 H new ATOM 504 N ALA A 59 -4.555 -6.700 -3.781 1.00 0.00 N ATOM 505 CA ALA A 59 -5.164 -5.936 -2.699 1.00 0.00 C ATOM 506 C ALA A 59 -5.012 -4.444 -2.937 1.00 0.00 C ATOM 507 O ALA A 59 -5.970 -3.683 -2.817 1.00 0.00 O ATOM 508 CB ALA A 59 -4.532 -6.312 -1.375 1.00 0.00 C ATOM 0 H ALA A 59 -3.775 -7.290 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.227 -6.175 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.995 -5.735 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.682 -7.376 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.464 -6.096 -1.407 1.00 0.00 H new ATOM 514 N LEU A 60 -3.797 -4.046 -3.275 1.00 0.00 N ATOM 515 CA LEU A 60 -3.474 -2.661 -3.571 1.00 0.00 C ATOM 516 C LEU A 60 -4.336 -2.139 -4.713 1.00 0.00 C ATOM 517 O LEU A 60 -4.846 -1.018 -4.665 1.00 0.00 O ATOM 518 CB LEU A 60 -1.988 -2.562 -3.925 1.00 0.00 C ATOM 519 CG LEU A 60 -1.525 -1.241 -4.539 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.805 -0.080 -3.600 1.00 0.00 C ATOM 521 CD2 LEU A 60 -0.044 -1.319 -4.856 1.00 0.00 C ATOM 0 H LEU A 60 -3.002 -4.680 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.680 -2.046 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.408 -2.740 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.748 -3.366 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.081 -1.069 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.467 0.849 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.876 -0.020 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.274 -0.235 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.285 -0.376 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.515 -1.508 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.135 -2.129 -5.563 1.00 0.00 H new ATOM 533 N GLU A 61 -4.499 -2.963 -5.736 1.00 0.00 N ATOM 534 CA GLU A 61 -5.323 -2.606 -6.872 1.00 0.00 C ATOM 535 C GLU A 61 -6.789 -2.505 -6.480 1.00 0.00 C ATOM 536 O GLU A 61 -7.441 -1.513 -6.784 1.00 0.00 O ATOM 537 CB GLU A 61 -5.137 -3.613 -8.004 1.00 0.00 C ATOM 538 CG GLU A 61 -3.780 -3.498 -8.676 1.00 0.00 C ATOM 539 CD GLU A 61 -3.597 -4.465 -9.825 1.00 0.00 C ATOM 540 OE1 GLU A 61 -4.405 -4.427 -10.778 1.00 0.00 O ATOM 541 OE2 GLU A 61 -2.630 -5.252 -9.795 1.00 0.00 O1- ATOM 0 H GLU A 61 -4.069 -3.886 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.004 -1.625 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.258 -4.622 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.920 -3.465 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.649 -2.480 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.000 -3.673 -7.935 1.00 0.00 H new ATOM 548 N LEU A 62 -7.298 -3.517 -5.789 1.00 0.00 N ATOM 549 CA LEU A 62 -8.706 -3.542 -5.410 1.00 0.00 C ATOM 550 C LEU A 62 -9.049 -2.415 -4.444 1.00 0.00 C ATOM 551 O LEU A 62 -10.039 -1.724 -4.638 1.00 0.00 O ATOM 552 CB LEU A 62 -9.094 -4.881 -4.782 1.00 0.00 C ATOM 553 CG LEU A 62 -8.939 -6.103 -5.687 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.342 -7.368 -4.946 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.766 -5.932 -6.951 1.00 0.00 C ATOM 0 H LEU A 62 -6.761 -4.327 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.276 -3.403 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.487 -5.033 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.132 -4.822 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.891 -6.195 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.226 -8.228 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.707 -7.494 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.383 -7.290 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.646 -6.810 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.817 -5.817 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.429 -5.046 -7.489 1.00 0.00 H new ATOM 567 N ALA A 63 -8.227 -2.227 -3.416 1.00 0.00 N ATOM 568 CA ALA A 63 -8.500 -1.221 -2.387 1.00 0.00 C ATOM 569 C ALA A 63 -8.791 0.143 -3.004 1.00 0.00 C ATOM 570 O ALA A 63 -9.685 0.860 -2.558 1.00 0.00 O ATOM 571 CB ALA A 63 -7.343 -1.128 -1.406 1.00 0.00 C ATOM 0 H ALA A 63 -7.367 -2.756 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.391 -1.537 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.566 -0.375 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.197 -2.094 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.435 -0.848 -1.940 1.00 0.00 H new ATOM 577 N GLU A 64 -8.034 0.494 -4.032 1.00 0.00 N ATOM 578 CA GLU A 64 -8.299 1.710 -4.782 1.00 0.00 C ATOM 579 C GLU A 64 -9.415 1.482 -5.795 1.00 0.00 C ATOM 580 O GLU A 64 -10.502 2.050 -5.685 1.00 0.00 O ATOM 581 CB GLU A 64 -7.043 2.179 -5.523 1.00 0.00 C ATOM 582 CG GLU A 64 -7.291 3.396 -6.402 1.00 0.00 C ATOM 583 CD GLU A 64 -6.242 3.572 -7.475 1.00 0.00 C ATOM 584 OE1 GLU A 64 -6.173 2.718 -8.387 1.00 0.00 O ATOM 585 OE2 GLU A 64 -5.494 4.566 -7.428 1.00 0.00 O1- ATOM 0 H GLU A 64 -7.234 -0.044 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.603 2.477 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.266 2.415 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.666 1.363 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.271 3.305 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.318 4.289 -5.778 1.00 0.00 H new ATOM 592 N TRP A 65 -9.143 0.604 -6.753 1.00 0.00 N ATOM 593 CA TRP A 65 -9.956 0.477 -7.955 1.00 0.00 C ATOM 594 C TRP A 65 -11.381 0.011 -7.679 1.00 0.00 C ATOM 595 O TRP A 65 -12.282 0.297 -8.463 1.00 0.00 O ATOM 596 CB TRP A 65 -9.293 -0.476 -8.940 1.00 0.00 C ATOM 597 CG TRP A 65 -8.958 0.183 -10.235 1.00 0.00 C ATOM 598 CD1 TRP A 65 -7.832 0.894 -10.523 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.769 0.213 -11.412 1.00 0.00 C ATOM 600 NE1 TRP A 65 -7.881 1.347 -11.818 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.063 0.945 -12.384 1.00 0.00 C ATOM 602 CE3 TRP A 65 -11.020 -0.317 -11.739 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -9.568 1.162 -13.662 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.521 -0.098 -13.008 1.00 0.00 C ATOM 605 CH2 TRP A 65 -10.795 0.635 -13.956 1.00 0.00 C ATOM 0 H TRP A 65 -8.353 -0.040 -6.718 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.026 1.478 -8.381 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.383 -0.878 -8.495 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.957 -1.320 -9.127 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.020 1.075 -9.834 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.156 1.894 -12.283 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -11.584 -0.886 -11.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.011 1.726 -14.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -12.488 -0.498 -13.274 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.213 0.787 -14.940 1.00 0.00 H new ATOM 616 N GLN A 66 -11.594 -0.729 -6.599 1.00 0.00 N ATOM 617 CA GLN A 66 -12.935 -1.211 -6.300 1.00 0.00 C ATOM 618 C GLN A 66 -13.732 -0.146 -5.537 1.00 0.00 C ATOM 619 O GLN A 66 -14.962 -0.154 -5.551 1.00 0.00 O ATOM 620 CB GLN A 66 -12.909 -2.554 -5.531 1.00 0.00 C ATOM 621 CG GLN A 66 -12.818 -2.440 -4.015 1.00 0.00 C ATOM 622 CD GLN A 66 -13.166 -3.738 -3.320 1.00 0.00 C ATOM 623 OE1 GLN A 66 -12.163 -4.558 -3.063 1.00 0.00 O flip ATOM 624 NE2 GLN A 66 -14.326 -3.997 -3.002 1.00 0.00 N flip ATOM 0 H GLN A 66 -10.875 -1.003 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.438 -1.401 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.810 -3.114 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.060 -3.139 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.808 -2.140 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.491 -1.654 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.073 -3.337 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.540 -4.871 -2.522 1.00 0.00 H new ATOM 633 N TYR A 67 -13.028 0.771 -4.872 1.00 0.00 N ATOM 634 CA TYR A 67 -13.686 1.800 -4.069 1.00 0.00 C ATOM 635 C TYR A 67 -13.840 3.131 -4.804 1.00 0.00 C ATOM 636 O TYR A 67 -14.922 3.720 -4.803 1.00 0.00 O ATOM 637 CB TYR A 67 -12.948 2.008 -2.741 1.00 0.00 C ATOM 638 CG TYR A 67 -13.306 0.961 -1.717 1.00 0.00 C ATOM 639 CD1 TYR A 67 -14.443 1.095 -0.930 1.00 0.00 C ATOM 640 CD2 TYR A 67 -12.528 -0.175 -1.556 1.00 0.00 C ATOM 641 CE1 TYR A 67 -14.794 0.124 -0.015 1.00 0.00 C ATOM 642 CE2 TYR A 67 -12.868 -1.147 -0.640 1.00 0.00 C ATOM 643 CZ TYR A 67 -14.002 -0.995 0.126 1.00 0.00 C ATOM 644 OH TYR A 67 -14.354 -1.974 1.024 1.00 0.00 O ATOM 0 H TYR A 67 -12.009 0.822 -4.874 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.693 1.433 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.873 1.987 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.187 2.996 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.062 1.974 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.641 -0.300 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.683 0.240 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.248 -2.024 -0.524 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.690 -2.695 0.999 1.00 0.00 H new ATOM 654 N VAL A 68 -12.770 3.594 -5.442 1.00 0.00 N ATOM 655 CA VAL A 68 -12.737 4.952 -5.987 1.00 0.00 C ATOM 656 C VAL A 68 -13.817 5.247 -7.054 1.00 0.00 C ATOM 657 O VAL A 68 -14.387 6.336 -7.030 1.00 0.00 O ATOM 658 CB VAL A 68 -11.331 5.359 -6.508 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.318 5.329 -5.375 1.00 0.00 C ATOM 660 CG2 VAL A 68 -10.867 4.480 -7.660 1.00 0.00 C ATOM 0 H VAL A 68 -11.918 3.055 -5.595 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.979 5.577 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.410 6.376 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.338 5.616 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.623 6.027 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.265 4.322 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.880 4.803 -7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.817 3.443 -7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.571 4.563 -8.488 1.00 0.00 H new ATOM 670 N PRO A 69 -14.163 4.315 -7.985 1.00 0.00 N ATOM 671 CA PRO A 69 -15.144 4.616 -9.038 1.00 0.00 C ATOM 672 C PRO A 69 -16.560 4.736 -8.487 1.00 0.00 C ATOM 673 O PRO A 69 -17.455 5.256 -9.151 1.00 0.00 O ATOM 674 CB PRO A 69 -15.042 3.418 -9.981 1.00 0.00 C ATOM 675 CG PRO A 69 -14.589 2.303 -9.112 1.00 0.00 C ATOM 676 CD PRO A 69 -13.670 2.925 -8.096 1.00 0.00 C ATOM 0 HA PRO A 69 -14.939 5.571 -9.521 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.002 3.195 -10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.334 3.606 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.435 1.816 -8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.071 1.540 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.719 2.405 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.631 2.893 -8.423 1.00 0.00 H new ATOM 684 N ALA A 70 -16.748 4.266 -7.262 1.00 0.00 N ATOM 685 CA ALA A 70 -18.050 4.303 -6.618 1.00 0.00 C ATOM 686 C ALA A 70 -18.232 5.603 -5.842 1.00 0.00 C ATOM 687 O ALA A 70 -19.197 5.764 -5.093 1.00 0.00 O ATOM 688 CB ALA A 70 -18.216 3.100 -5.701 1.00 0.00 C ATOM 0 H ALA A 70 -16.010 3.853 -6.693 1.00 0.00 H new ATOM 0 HA ALA A 70 -18.820 4.261 -7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -19.195 3.139 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.133 2.183 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.439 3.115 -4.937 1.00 0.00 H new ATOM 694 N GLY A 71 -17.296 6.528 -6.026 1.00 0.00 N ATOM 695 CA GLY A 71 -17.375 7.810 -5.357 1.00 0.00 C ATOM 696 C GLY A 71 -16.751 7.773 -3.980 1.00 0.00 C ATOM 697 O GLY A 71 -17.258 8.390 -3.044 1.00 0.00 O ATOM 0 H GLY A 71 -16.482 6.410 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.873 8.565 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.419 8.111 -5.273 1.00 0.00 H new ATOM 701 N PHE A 72 -15.659 7.035 -3.848 1.00 0.00 N ATOM 702 CA PHE A 72 -14.979 6.906 -2.568 1.00 0.00 C ATOM 703 C PHE A 72 -13.505 7.256 -2.690 1.00 0.00 C ATOM 704 O PHE A 72 -12.789 6.699 -3.518 1.00 0.00 O ATOM 705 CB PHE A 72 -15.115 5.484 -2.014 1.00 0.00 C ATOM 706 CG PHE A 72 -16.486 5.160 -1.498 1.00 0.00 C ATOM 707 CD1 PHE A 72 -17.478 4.716 -2.356 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.781 5.298 -0.150 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.739 4.418 -1.884 1.00 0.00 C ATOM 710 CE2 PHE A 72 -18.042 5.001 0.328 1.00 0.00 C ATOM 711 CZ PHE A 72 -19.022 4.562 -0.541 1.00 0.00 C ATOM 0 H PHE A 72 -15.225 6.516 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.454 7.606 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.855 4.773 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.393 5.348 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.261 4.602 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -16.017 5.641 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -19.504 4.073 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.262 5.112 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.010 4.332 -0.169 1.00 0.00 H new ATOM 721 N GLU A 73 -13.066 8.194 -1.872 1.00 0.00 N ATOM 722 CA GLU A 73 -11.656 8.507 -1.757 1.00 0.00 C ATOM 723 C GLU A 73 -11.133 7.899 -0.470 1.00 0.00 C ATOM 724 O GLU A 73 -11.768 8.002 0.579 1.00 0.00 O ATOM 725 CB GLU A 73 -11.430 10.023 -1.762 1.00 0.00 C ATOM 726 CG GLU A 73 -9.993 10.443 -1.459 1.00 0.00 C ATOM 727 CD GLU A 73 -8.998 10.032 -2.529 1.00 0.00 C ATOM 728 OE1 GLU A 73 -8.783 10.825 -3.472 1.00 0.00 O ATOM 729 OE2 GLU A 73 -8.401 8.946 -2.413 1.00 0.00 O1- ATOM 0 H GLU A 73 -13.672 8.756 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.120 8.092 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.714 10.418 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.093 10.480 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.958 11.526 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.690 10.007 -0.507 1.00 0.00 H new ATOM 736 N VAL A 74 -9.994 7.248 -0.555 1.00 0.00 N ATOM 737 CA VAL A 74 -9.406 6.616 0.605 1.00 0.00 C ATOM 738 C VAL A 74 -8.604 7.638 1.394 1.00 0.00 C ATOM 739 O VAL A 74 -8.490 8.788 0.985 1.00 0.00 O ATOM 740 CB VAL A 74 -8.493 5.438 0.204 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.274 4.401 -0.595 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.290 5.938 -0.582 1.00 0.00 C ATOM 0 H VAL A 74 -9.456 7.142 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.215 6.223 1.221 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.128 4.959 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.613 3.579 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.097 4.020 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.672 4.862 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.658 5.093 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.630 6.445 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.719 6.635 0.031 1.00 0.00 H new ATOM 752 N THR A 75 -8.089 7.237 2.535 1.00 0.00 N ATOM 753 CA THR A 75 -7.131 8.049 3.257 1.00 0.00 C ATOM 754 C THR A 75 -5.779 7.367 3.215 1.00 0.00 C ATOM 755 O THR A 75 -4.760 7.987 2.910 1.00 0.00 O ATOM 756 CB THR A 75 -7.546 8.261 4.722 1.00 0.00 C ATOM 757 OG1 THR A 75 -8.879 8.779 4.777 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.596 9.219 5.427 1.00 0.00 C ATOM 0 H THR A 75 -8.318 6.351 2.985 1.00 0.00 H new ATOM 0 HA THR A 75 -7.088 9.027 2.779 1.00 0.00 H new ATOM 0 HB THR A 75 -7.504 7.298 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.883 9.707 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.913 9.351 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.586 8.810 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.608 10.183 4.918 1.00 0.00 H new ATOM 766 N ARG A 76 -5.802 6.072 3.486 1.00 0.00 N ATOM 767 CA ARG A 76 -4.605 5.257 3.524 1.00 0.00 C ATOM 768 C ARG A 76 -4.978 3.791 3.611 1.00 0.00 C ATOM 769 O ARG A 76 -6.159 3.443 3.637 1.00 0.00 O ATOM 770 CB ARG A 76 -3.731 5.631 4.722 1.00 0.00 C ATOM 771 CG ARG A 76 -2.604 6.589 4.368 1.00 0.00 C ATOM 772 CD ARG A 76 -1.506 6.593 5.413 1.00 0.00 C ATOM 773 NE ARG A 76 -0.646 5.411 5.301 1.00 0.00 N ATOM 774 CZ ARG A 76 -0.141 4.750 6.342 1.00 0.00 C ATOM 775 NH1 ARG A 76 -0.479 5.091 7.580 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 0.685 3.726 6.144 1.00 0.00 N ATOM 0 H ARG A 76 -6.659 5.556 3.687 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.042 5.437 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.356 6.084 5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.306 4.723 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.183 6.311 3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.006 7.597 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.902 7.494 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.950 6.627 6.408 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.420 5.073 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.128 5.862 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.090 4.582 8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.932 3.446 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.071 3.221 6.941 1.00 0.00 H new ATOM 790 N VAL A 77 -3.973 2.938 3.652 1.00 0.00 N ATOM 791 CA VAL A 77 -4.181 1.513 3.812 1.00 0.00 C ATOM 792 C VAL A 77 -3.095 0.927 4.704 1.00 0.00 C ATOM 793 O VAL A 77 -1.951 1.386 4.693 1.00 0.00 O ATOM 794 CB VAL A 77 -4.176 0.770 2.457 1.00 0.00 C ATOM 795 CG1 VAL A 77 -5.418 1.086 1.641 1.00 0.00 C ATOM 796 CG2 VAL A 77 -2.944 1.135 1.664 1.00 0.00 C ATOM 0 H VAL A 77 -2.993 3.212 3.576 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.161 1.379 4.270 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.171 -0.299 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.379 0.546 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.305 0.782 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.462 2.157 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.954 0.604 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.934 2.209 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.053 0.855 2.226 1.00 0.00 H new ATOM 806 N ARG A 78 -3.467 -0.057 5.498 1.00 0.00 N ATOM 807 CA ARG A 78 -2.520 -0.788 6.319 1.00 0.00 C ATOM 808 C ARG A 78 -2.505 -2.248 5.896 1.00 0.00 C ATOM 809 O ARG A 78 -3.263 -3.065 6.425 1.00 0.00 O ATOM 810 CB ARG A 78 -2.870 -0.673 7.807 1.00 0.00 C ATOM 811 CG ARG A 78 -2.810 0.747 8.351 1.00 0.00 C ATOM 812 CD ARG A 78 -1.517 1.445 7.959 1.00 0.00 C ATOM 813 NE ARG A 78 -0.328 0.668 8.315 1.00 0.00 N ATOM 814 CZ ARG A 78 0.656 0.379 7.460 1.00 0.00 C ATOM 815 NH1 ARG A 78 0.556 0.738 6.188 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 1.728 -0.285 7.873 1.00 0.00 N ATOM 0 H ARG A 78 -4.432 -0.373 5.593 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.530 -0.354 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.873 -1.069 7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.186 -1.299 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.660 1.317 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.897 0.725 9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.519 1.628 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.471 2.418 8.448 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.247 0.327 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.273 1.235 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.308 0.517 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.803 -0.577 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.477 -0.503 7.216 1.00 0.00 H new ATOM 830 N PRO A 79 -1.672 -2.590 4.907 1.00 0.00 N ATOM 831 CA PRO A 79 -1.558 -3.954 4.413 1.00 0.00 C ATOM 832 C PRO A 79 -0.748 -4.827 5.361 1.00 0.00 C ATOM 833 O PRO A 79 0.369 -4.473 5.744 1.00 0.00 O ATOM 834 CB PRO A 79 -0.827 -3.800 3.066 1.00 0.00 C ATOM 835 CG PRO A 79 -0.697 -2.328 2.834 1.00 0.00 C ATOM 836 CD PRO A 79 -0.774 -1.685 4.185 1.00 0.00 C ATOM 0 HA PRO A 79 -2.530 -4.439 4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.152 -4.278 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.388 -4.274 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.248 -2.093 2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.493 -1.964 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.205 -1.618 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.173 -0.672 4.132 1.00 0.00 H new ATOM 844 N CYS A 80 -1.305 -5.964 5.741 1.00 0.00 N ATOM 845 CA CYS A 80 -0.612 -6.872 6.630 1.00 0.00 C ATOM 846 C CYS A 80 0.176 -7.898 5.829 1.00 0.00 C ATOM 847 O CYS A 80 -0.352 -8.942 5.445 1.00 0.00 O ATOM 848 CB CYS A 80 -1.599 -7.567 7.566 1.00 0.00 C ATOM 849 SG CYS A 80 -2.550 -6.428 8.600 1.00 0.00 S ATOM 0 H CYS A 80 -2.231 -6.277 5.448 1.00 0.00 H new ATOM 0 HA CYS A 80 0.086 -6.295 7.237 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.289 -8.166 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.052 -8.256 8.209 1.00 0.00 H new ATOM 0 HG CYS A 80 -3.361 -7.104 9.358 1.00 0.00 H new ATOM 855 N VAL A 81 1.435 -7.578 5.561 1.00 0.00 N ATOM 856 CA VAL A 81 2.324 -8.495 4.862 1.00 0.00 C ATOM 857 C VAL A 81 2.654 -9.677 5.772 1.00 0.00 C ATOM 858 O VAL A 81 2.947 -10.780 5.311 1.00 0.00 O ATOM 859 CB VAL A 81 3.620 -7.786 4.392 1.00 0.00 C ATOM 860 CG1 VAL A 81 4.426 -7.264 5.574 1.00 0.00 C ATOM 861 CG2 VAL A 81 4.465 -8.711 3.527 1.00 0.00 C ATOM 0 H VAL A 81 1.864 -6.689 5.818 1.00 0.00 H new ATOM 0 HA VAL A 81 1.814 -8.857 3.969 1.00 0.00 H new ATOM 0 HB VAL A 81 3.326 -6.929 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.328 -6.772 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.825 -6.550 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.702 -8.096 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.368 -8.189 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.740 -9.596 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.893 -9.011 2.649 1.00 0.00 H new ATOM 871 N ALA A 82 2.574 -9.430 7.072 1.00 0.00 N ATOM 872 CA ALA A 82 2.711 -10.473 8.071 1.00 0.00 C ATOM 873 C ALA A 82 1.417 -10.570 8.874 1.00 0.00 C ATOM 874 O ALA A 82 1.297 -9.977 9.946 1.00 0.00 O ATOM 875 CB ALA A 82 3.897 -10.184 8.983 1.00 0.00 C ATOM 0 H ALA A 82 2.412 -8.501 7.461 1.00 0.00 H new ATOM 0 HA ALA A 82 2.896 -11.428 7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.986 -10.976 9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.810 -10.140 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.745 -9.229 9.486 1.00 0.00 H new ATOM 881 N PRO A 83 0.419 -11.303 8.351 1.00 0.00 N ATOM 882 CA PRO A 83 -0.910 -11.390 8.968 1.00 0.00 C ATOM 883 C PRO A 83 -0.896 -12.127 10.305 1.00 0.00 C ATOM 884 O PRO A 83 0.002 -12.926 10.581 1.00 0.00 O ATOM 885 CB PRO A 83 -1.737 -12.160 7.936 1.00 0.00 C ATOM 886 CG PRO A 83 -0.743 -12.936 7.146 1.00 0.00 C ATOM 887 CD PRO A 83 0.511 -12.110 7.121 1.00 0.00 C ATOM 0 HA PRO A 83 -1.309 -10.403 9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.457 -12.819 8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.304 -11.481 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.559 -13.909 7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.108 -13.120 6.135 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.403 -12.736 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.559 -11.481 6.232 1.00 0.00 H new ATOM 895 N LYS A 84 -1.889 -11.845 11.135 1.00 0.00 N ATOM 896 CA LYS A 84 -1.979 -12.451 12.451 1.00 0.00 C ATOM 897 C LYS A 84 -2.836 -13.713 12.390 1.00 0.00 C ATOM 898 O LYS A 84 -2.277 -14.795 12.119 1.00 0.00 O ATOM 899 CB LYS A 84 -2.565 -11.449 13.453 1.00 0.00 C ATOM 900 CG LYS A 84 -2.426 -11.855 14.917 1.00 0.00 C ATOM 901 CD LYS A 84 -0.974 -11.839 15.385 1.00 0.00 C ATOM 902 CE LYS A 84 -0.323 -13.211 15.288 1.00 0.00 C ATOM 903 NZ LYS A 84 1.138 -13.154 15.563 1.00 0.00 N1+ ATOM 904 OXT LYS A 84 -4.063 -13.622 12.599 1.00 0.00 O ATOM 0 H LYS A 84 -2.646 -11.197 10.917 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.979 -12.728 12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.077 -10.485 13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.622 -11.307 13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.013 -11.178 15.537 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.840 -12.854 15.056 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.408 -11.127 14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.931 -11.490 16.417 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.799 -13.889 15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.489 -13.622 14.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.543 -14.109 15.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.597 -12.527 14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.296 -12.786 16.523 1.00 0.00 H new TER 918 LYS A 84 ATOM 919 N PRO B 24 9.089 1.261 11.039 1.00 0.00 N ATOM 920 CA PRO B 24 9.941 1.818 9.976 1.00 0.00 C ATOM 921 C PRO B 24 9.750 3.319 9.868 1.00 0.00 C ATOM 922 O PRO B 24 8.625 3.804 9.748 1.00 0.00 O ATOM 923 CB PRO B 24 9.578 1.139 8.663 1.00 0.00 C ATOM 924 CG PRO B 24 8.516 0.167 9.050 1.00 0.00 C ATOM 925 CD PRO B 24 8.681 -0.056 10.534 1.00 0.00 C ATOM 0 HA PRO B 24 10.989 1.635 10.211 1.00 0.00 H new ATOM 0 HB2 PRO B 24 9.215 1.857 7.928 1.00 0.00 H new ATOM 0 HB3 PRO B 24 10.438 0.637 8.220 1.00 0.00 H new ATOM 0 HG2 PRO B 24 7.525 0.560 8.822 1.00 0.00 H new ATOM 0 HG3 PRO B 24 8.623 -0.768 8.500 1.00 0.00 H new ATOM 0 HD2 PRO B 24 7.752 -0.391 10.995 1.00 0.00 H new ATOM 0 HD3 PRO B 24 9.433 -0.816 10.744 1.00 0.00 H new ATOM 933 N ALA B 25 10.858 4.044 9.925 1.00 0.00 N ATOM 934 CA ALA B 25 10.843 5.490 9.766 1.00 0.00 C ATOM 935 C ALA B 25 10.782 5.853 8.285 1.00 0.00 C ATOM 936 O ALA B 25 10.151 5.146 7.497 1.00 0.00 O ATOM 937 CB ALA B 25 12.070 6.104 10.430 1.00 0.00 C ATOM 0 H ALA B 25 11.786 3.650 10.082 1.00 0.00 H new ATOM 0 HA ALA B 25 9.956 5.894 10.253 1.00 0.00 H new ATOM 0 HB1 ALA B 25 12.048 7.187 10.305 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.068 5.862 11.493 1.00 0.00 H new ATOM 0 HB3 ALA B 25 12.972 5.703 9.968 1.00 0.00 H new ATOM 943 N ILE B 26 11.418 6.947 7.899 1.00 0.00 N ATOM 944 CA ILE B 26 11.459 7.329 6.496 1.00 0.00 C ATOM 945 C ILE B 26 12.483 6.465 5.764 1.00 0.00 C ATOM 946 O ILE B 26 13.628 6.873 5.545 1.00 0.00 O ATOM 947 CB ILE B 26 11.805 8.821 6.315 1.00 0.00 C ATOM 948 CG1 ILE B 26 10.970 9.687 7.266 1.00 0.00 C ATOM 949 CG2 ILE B 26 11.568 9.246 4.871 1.00 0.00 C ATOM 950 CD1 ILE B 26 9.472 9.537 7.083 1.00 0.00 C ATOM 0 H ILE B 26 11.909 7.581 8.530 1.00 0.00 H new ATOM 0 HA ILE B 26 10.466 7.170 6.075 1.00 0.00 H new ATOM 0 HB ILE B 26 12.859 8.962 6.555 1.00 0.00 H new ATOM 0 HG12 ILE B 26 11.227 9.431 8.294 1.00 0.00 H new ATOM 0 HG13 ILE B 26 11.240 10.733 7.120 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.816 10.301 4.757 1.00 0.00 H new ATOM 0 HG22 ILE B 26 12.198 8.652 4.209 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.521 9.090 4.613 1.00 0.00 H new ATOM 0 HD11 ILE B 26 8.952 10.182 7.792 1.00 0.00 H new ATOM 0 HD12 ILE B 26 9.199 9.821 6.067 1.00 0.00 H new ATOM 0 HD13 ILE B 26 9.186 8.500 7.259 1.00 0.00 H new ATOM 962 N LEU B 27 12.065 5.259 5.417 1.00 0.00 N ATOM 963 CA LEU B 27 12.944 4.289 4.794 1.00 0.00 C ATOM 964 C LEU B 27 12.140 3.327 3.930 1.00 0.00 C ATOM 965 O LEU B 27 10.918 3.250 4.047 1.00 0.00 O ATOM 966 CB LEU B 27 13.720 3.526 5.879 1.00 0.00 C ATOM 967 CG LEU B 27 12.866 2.771 6.910 1.00 0.00 C ATOM 968 CD1 LEU B 27 12.551 1.360 6.436 1.00 0.00 C ATOM 969 CD2 LEU B 27 13.562 2.733 8.260 1.00 0.00 C ATOM 0 H LEU B 27 11.111 4.928 5.559 1.00 0.00 H new ATOM 0 HA LEU B 27 13.655 4.808 4.152 1.00 0.00 H new ATOM 0 HB2 LEU B 27 14.381 2.811 5.390 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.355 4.235 6.411 1.00 0.00 H new ATOM 0 HG LEU B 27 11.925 3.309 7.019 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.946 0.851 7.186 1.00 0.00 H new ATOM 0 HD12 LEU B 27 12.001 1.406 5.496 1.00 0.00 H new ATOM 0 HD13 LEU B 27 13.480 0.811 6.286 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.940 2.194 8.975 1.00 0.00 H new ATOM 0 HD22 LEU B 27 14.522 2.227 8.160 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.724 3.751 8.615 1.00 0.00 H new ATOM 981 N ALA B 28 12.830 2.608 3.057 1.00 0.00 N ATOM 982 CA ALA B 28 12.188 1.599 2.232 1.00 0.00 C ATOM 983 C ALA B 28 11.980 0.326 3.040 1.00 0.00 C ATOM 984 O ALA B 28 12.908 -0.174 3.679 1.00 0.00 O ATOM 985 CB ALA B 28 13.021 1.312 0.991 1.00 0.00 C ATOM 0 H ALA B 28 13.834 2.705 2.903 1.00 0.00 H new ATOM 0 HA ALA B 28 11.217 1.975 1.909 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.523 0.554 0.386 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.132 2.226 0.408 1.00 0.00 H new ATOM 0 HB3 ALA B 28 14.005 0.950 1.289 1.00 0.00 H new ATOM 991 N GLU B 29 10.754 -0.188 2.997 1.00 0.00 N ATOM 992 CA GLU B 29 10.352 -1.347 3.793 1.00 0.00 C ATOM 993 C GLU B 29 11.186 -2.574 3.434 1.00 0.00 C ATOM 994 O GLU B 29 11.438 -3.436 4.277 1.00 0.00 O ATOM 995 CB GLU B 29 8.870 -1.643 3.551 1.00 0.00 C ATOM 996 CG GLU B 29 8.294 -2.723 4.454 1.00 0.00 C ATOM 997 CD GLU B 29 8.220 -2.300 5.907 1.00 0.00 C ATOM 998 OE1 GLU B 29 7.218 -1.668 6.292 1.00 0.00 O ATOM 999 OE2 GLU B 29 9.156 -2.612 6.675 1.00 0.00 O1- ATOM 0 H GLU B 29 10.009 0.187 2.409 1.00 0.00 H new ATOM 0 HA GLU B 29 10.517 -1.117 4.846 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.300 -0.725 3.692 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.736 -1.944 2.512 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.295 -2.985 4.106 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.906 -3.621 4.373 1.00 0.00 H new ATOM 1006 N ILE B 30 11.613 -2.636 2.183 1.00 0.00 N ATOM 1007 CA ILE B 30 12.422 -3.739 1.687 1.00 0.00 C ATOM 1008 C ILE B 30 13.519 -3.211 0.776 1.00 0.00 C ATOM 1009 O ILE B 30 13.476 -2.057 0.349 1.00 0.00 O ATOM 1010 CB ILE B 30 11.566 -4.766 0.918 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.625 -4.045 -0.047 1.00 0.00 C ATOM 1012 CG2 ILE B 30 10.787 -5.647 1.887 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.789 -4.973 -0.893 1.00 0.00 C ATOM 0 H ILE B 30 11.409 -1.923 1.482 1.00 0.00 H new ATOM 0 HA ILE B 30 12.865 -4.239 2.548 1.00 0.00 H new ATOM 0 HB ILE B 30 12.226 -5.411 0.338 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.963 -3.395 0.525 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.214 -3.403 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.189 -6.365 1.326 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.483 -6.181 2.533 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.130 -5.026 2.496 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.148 -4.387 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.443 -5.606 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.172 -5.597 -0.247 1.00 0.00 H new ATOM 1025 N SER B 31 14.499 -4.051 0.492 1.00 0.00 N ATOM 1026 CA SER B 31 15.639 -3.648 -0.308 1.00 0.00 C ATOM 1027 C SER B 31 15.398 -3.918 -1.790 1.00 0.00 C ATOM 1028 O SER B 31 15.163 -5.059 -2.205 1.00 0.00 O ATOM 1029 CB SER B 31 16.880 -4.394 0.181 1.00 0.00 C ATOM 1030 OG SER B 31 16.574 -5.756 0.442 1.00 0.00 O ATOM 0 H SER B 31 14.526 -5.021 0.806 1.00 0.00 H new ATOM 0 HA SER B 31 15.790 -2.574 -0.195 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.668 -4.330 -0.569 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.262 -3.922 1.086 1.00 0.00 H new ATOM 0 HG SER B 31 17.405 -6.273 0.500 1.00 0.00 H new ATOM 1036 N GLY B 32 15.467 -2.866 -2.588 1.00 0.00 N ATOM 1037 CA GLY B 32 15.299 -3.011 -4.012 1.00 0.00 C ATOM 1038 C GLY B 32 14.997 -1.702 -4.701 1.00 0.00 C ATOM 1039 O GLY B 32 15.454 -0.644 -4.272 1.00 0.00 O ATOM 0 H GLY B 32 15.637 -1.912 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY B 32 16.206 -3.440 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.490 -3.715 -4.208 1.00 0.00 H new ATOM 1043 N ILE B 33 14.227 -1.780 -5.769 1.00 0.00 N ATOM 1044 CA ILE B 33 13.869 -0.612 -6.547 1.00 0.00 C ATOM 1045 C ILE B 33 12.530 -0.069 -6.077 1.00 0.00 C ATOM 1046 O ILE B 33 11.488 -0.667 -6.332 1.00 0.00 O ATOM 1047 CB ILE B 33 13.759 -0.949 -8.051 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.007 -1.693 -8.538 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.540 0.315 -8.868 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.293 -0.916 -8.366 1.00 0.00 C ATOM 0 H ILE B 33 13.833 -2.653 -6.120 1.00 0.00 H new ATOM 0 HA ILE B 33 14.654 0.131 -6.406 1.00 0.00 H new ATOM 0 HB ILE B 33 12.898 -1.603 -8.188 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.089 -2.636 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE B 33 14.882 -1.940 -9.592 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.465 0.057 -9.924 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.619 0.801 -8.547 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.379 0.994 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.129 -1.510 -8.734 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.234 0.015 -8.930 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.444 -0.692 -7.310 1.00 0.00 H new ATOM 1062 N VAL B 34 12.554 1.053 -5.386 1.00 0.00 N ATOM 1063 CA VAL B 34 11.321 1.683 -4.954 1.00 0.00 C ATOM 1064 C VAL B 34 10.711 2.453 -6.112 1.00 0.00 C ATOM 1065 O VAL B 34 11.370 3.281 -6.734 1.00 0.00 O ATOM 1066 CB VAL B 34 11.537 2.622 -3.746 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.652 3.613 -4.026 1.00 0.00 C ATOM 1068 CG2 VAL B 34 10.247 3.353 -3.390 1.00 0.00 C ATOM 0 H VAL B 34 13.405 1.544 -5.113 1.00 0.00 H new ATOM 0 HA VAL B 34 10.640 0.895 -4.631 1.00 0.00 H new ATOM 0 HB VAL B 34 11.830 2.011 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.786 4.264 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.578 3.073 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL B 34 12.393 4.215 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL B 34 10.424 4.008 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.919 3.948 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL B 34 9.475 2.626 -3.136 1.00 0.00 H new ATOM 1078 N SER B 35 9.470 2.151 -6.426 1.00 0.00 N ATOM 1079 CA SER B 35 8.783 2.833 -7.501 1.00 0.00 C ATOM 1080 C SER B 35 7.414 3.299 -7.037 1.00 0.00 C ATOM 1081 O SER B 35 6.884 2.806 -6.040 1.00 0.00 O ATOM 1082 CB SER B 35 8.675 1.919 -8.725 1.00 0.00 C ATOM 1083 OG SER B 35 8.254 0.614 -8.364 1.00 0.00 O ATOM 0 H SER B 35 8.916 1.438 -5.952 1.00 0.00 H new ATOM 0 HA SER B 35 9.358 3.713 -7.789 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.969 2.346 -9.438 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.641 1.865 -9.226 1.00 0.00 H new ATOM 0 HG SER B 35 8.249 0.530 -7.388 1.00 0.00 H new ATOM 1089 N PHE B 36 6.855 4.261 -7.746 1.00 0.00 N ATOM 1090 CA PHE B 36 5.561 4.802 -7.393 1.00 0.00 C ATOM 1091 C PHE B 36 4.637 4.767 -8.593 1.00 0.00 C ATOM 1092 O PHE B 36 4.987 5.234 -9.675 1.00 0.00 O ATOM 1093 CB PHE B 36 5.697 6.226 -6.864 1.00 0.00 C ATOM 1094 CG PHE B 36 6.498 6.320 -5.593 1.00 0.00 C ATOM 1095 CD1 PHE B 36 5.942 5.933 -4.386 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.801 6.789 -5.604 1.00 0.00 C ATOM 1097 CE1 PHE B 36 6.668 6.015 -3.217 1.00 0.00 C ATOM 1098 CE2 PHE B 36 8.531 6.871 -4.436 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.965 6.484 -3.241 1.00 0.00 C ATOM 0 H PHE B 36 7.280 4.683 -8.572 1.00 0.00 H new ATOM 0 HA PHE B 36 5.132 4.187 -6.602 1.00 0.00 H new ATOM 0 HB2 PHE B 36 6.168 6.845 -7.627 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.703 6.637 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE B 36 4.928 5.563 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE B 36 8.251 7.094 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.221 5.712 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE B 36 9.546 7.239 -4.459 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.535 6.548 -2.326 1.00 0.00 H new ATOM 1109 N GLY B 37 3.461 4.209 -8.392 1.00 0.00 N ATOM 1110 CA GLY B 37 2.525 4.032 -9.481 1.00 0.00 C ATOM 1111 C GLY B 37 1.291 4.889 -9.327 1.00 0.00 C ATOM 1112 O GLY B 37 1.364 5.976 -8.753 1.00 0.00 O ATOM 0 H GLY B 37 3.132 3.871 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY B 37 3.017 4.275 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY B 37 2.231 2.984 -9.537 1.00 0.00 H new ATOM 1116 N LYS B 38 0.150 4.357 -9.773 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.085 5.130 -9.879 1.00 0.00 C ATOM 1118 C LYS B 38 -1.447 5.841 -8.578 1.00 0.00 C ATOM 1119 O LYS B 38 -1.238 5.328 -7.479 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.254 4.252 -10.384 1.00 0.00 C ATOM 1121 CG LYS B 38 -2.407 2.884 -9.722 1.00 0.00 C ATOM 1122 CD LYS B 38 -2.838 2.978 -8.268 1.00 0.00 C ATOM 1123 CE LYS B 38 -3.133 1.610 -7.677 1.00 0.00 C ATOM 1124 NZ LYS B 38 -4.266 0.939 -8.369 1.00 0.00 N1+ ATOM 0 H LYS B 38 0.059 3.385 -10.068 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.903 5.910 -10.619 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -3.183 4.805 -10.245 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -2.130 4.101 -11.456 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.140 2.297 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -1.459 2.349 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -2.054 3.463 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -3.726 3.606 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -2.243 0.985 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -3.366 1.715 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -4.762 0.317 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -4.927 1.657 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -3.902 0.374 -9.163 1.00 0.00 H new ATOM 1138 N GLU B 39 -1.953 7.052 -8.729 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.291 7.900 -7.602 1.00 0.00 C ATOM 1140 C GLU B 39 -3.736 8.370 -7.743 1.00 0.00 C ATOM 1141 O GLU B 39 -4.186 8.634 -8.859 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.353 9.110 -7.578 1.00 0.00 C ATOM 1143 CG GLU B 39 0.092 8.777 -7.926 1.00 0.00 C ATOM 1144 CD GLU B 39 0.966 10.006 -8.060 1.00 0.00 C ATOM 1145 OE1 GLU B 39 1.479 10.497 -7.033 1.00 0.00 O ATOM 1146 OE2 GLU B 39 1.149 10.484 -9.200 1.00 0.00 O1- ATOM 0 H GLU B 39 -2.141 7.475 -9.638 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.181 7.341 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.722 9.858 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.383 9.561 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.505 8.126 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.115 8.218 -8.861 1.00 0.00 H new ATOM 1153 N THR B 40 -4.468 8.464 -6.638 1.00 0.00 N ATOM 1154 CA THR B 40 -5.849 8.929 -6.697 1.00 0.00 C ATOM 1155 C THR B 40 -5.902 10.443 -6.908 1.00 0.00 C ATOM 1156 O THR B 40 -5.929 10.917 -8.045 1.00 0.00 O ATOM 1157 CB THR B 40 -6.651 8.535 -5.433 1.00 0.00 C ATOM 1158 OG1 THR B 40 -6.004 9.019 -4.245 1.00 0.00 O ATOM 1159 CG2 THR B 40 -6.806 7.026 -5.344 1.00 0.00 C ATOM 0 H THR B 40 -4.134 8.228 -5.703 1.00 0.00 H new ATOM 0 HA THR B 40 -6.316 8.435 -7.549 1.00 0.00 H new ATOM 0 HB THR B 40 -7.637 8.992 -5.511 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.655 9.066 -3.514 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.373 6.771 -4.449 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.335 6.662 -6.225 1.00 0.00 H new ATOM 0 HG23 THR B 40 -5.821 6.561 -5.295 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.898 11.199 -5.820 1.00 0.00 N ATOM 1168 CA LYS B 41 -5.843 12.653 -5.898 1.00 0.00 C ATOM 1169 C LYS B 41 -4.679 13.174 -5.067 1.00 0.00 C ATOM 1170 O LYS B 41 -3.878 13.984 -5.534 1.00 0.00 O ATOM 1171 CB LYS B 41 -7.156 13.289 -5.422 1.00 0.00 C ATOM 1172 CG LYS B 41 -8.370 12.896 -6.252 1.00 0.00 C ATOM 1173 CD LYS B 41 -9.543 13.841 -6.020 1.00 0.00 C ATOM 1174 CE LYS B 41 -10.071 13.784 -4.593 1.00 0.00 C ATOM 1175 NZ LYS B 41 -10.688 12.470 -4.272 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.932 10.829 -4.870 1.00 0.00 H new ATOM 0 HA LYS B 41 -5.695 12.930 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -7.330 13.005 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.051 14.374 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -8.104 12.899 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -8.668 11.878 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -9.233 14.861 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -10.348 13.591 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -9.254 13.979 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -10.808 14.574 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -11.265 12.558 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -11.291 12.167 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -9.940 11.764 -4.117 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.592 12.702 -3.832 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.497 13.083 -2.965 1.00 0.00 C ATOM 1191 C GLY B 42 -2.763 11.875 -2.427 1.00 0.00 C ATOM 1192 O GLY B 42 -2.069 11.954 -1.415 1.00 0.00 O ATOM 0 H GLY B 42 -5.264 12.059 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.801 13.717 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.880 13.676 -2.134 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.934 10.747 -3.095 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.260 9.516 -2.707 1.00 0.00 C ATOM 1198 C LYS B 43 -1.232 9.137 -3.755 1.00 0.00 C ATOM 1199 O LYS B 43 -1.070 9.848 -4.741 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.263 8.374 -2.515 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.892 8.307 -1.128 1.00 0.00 C ATOM 1202 CD LYS B 43 -4.590 9.601 -0.744 1.00 0.00 C ATOM 1203 CE LYS B 43 -5.624 9.366 0.333 1.00 0.00 C ATOM 1204 NZ LYS B 43 -6.586 10.502 0.438 1.00 0.00 N1+ ATOM 0 H LYS B 43 -3.537 10.656 -3.913 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.757 9.688 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.057 8.477 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.760 7.428 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.610 7.487 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -3.120 8.082 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.854 10.324 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -5.068 10.034 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -6.169 8.447 0.118 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.124 9.224 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -6.502 10.943 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -6.372 11.207 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -7.556 10.149 0.307 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.534 8.037 -3.527 1.00 0.00 N ATOM 1219 CA ARG B 44 0.490 7.567 -4.445 1.00 0.00 C ATOM 1220 C ARG B 44 0.742 6.075 -4.225 1.00 0.00 C ATOM 1221 O ARG B 44 0.714 5.602 -3.091 1.00 0.00 O ATOM 1222 CB ARG B 44 1.769 8.385 -4.236 1.00 0.00 C ATOM 1223 CG ARG B 44 2.964 7.899 -5.038 1.00 0.00 C ATOM 1224 CD ARG B 44 4.105 8.899 -4.977 1.00 0.00 C ATOM 1225 NE ARG B 44 3.790 10.124 -5.710 1.00 0.00 N ATOM 1226 CZ ARG B 44 4.646 11.126 -5.897 1.00 0.00 C ATOM 1227 NH1 ARG B 44 5.874 11.065 -5.394 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.270 12.190 -6.591 1.00 0.00 N ATOM 0 H ARG B 44 -0.660 7.447 -2.704 1.00 0.00 H new ATOM 0 HA ARG B 44 0.157 7.701 -5.474 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.568 9.424 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.027 8.369 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.299 6.936 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG B 44 2.670 7.741 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.320 9.143 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.007 8.448 -5.392 1.00 0.00 H new ATOM 0 HE ARG B 44 2.854 10.217 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.166 10.246 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.524 11.837 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.328 12.239 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.922 12.960 -6.737 1.00 0.00 H new ATOM 1242 N ARG B 45 0.966 5.325 -5.298 1.00 0.00 N ATOM 1243 CA ARG B 45 1.155 3.884 -5.170 1.00 0.00 C ATOM 1244 C ARG B 45 2.593 3.541 -4.789 1.00 0.00 C ATOM 1245 O ARG B 45 3.502 3.674 -5.605 1.00 0.00 O ATOM 1246 CB ARG B 45 0.798 3.173 -6.473 1.00 0.00 C ATOM 1247 CG ARG B 45 0.807 1.662 -6.348 1.00 0.00 C ATOM 1248 CD ARG B 45 0.657 0.972 -7.694 1.00 0.00 C ATOM 1249 NE ARG B 45 1.854 1.100 -8.525 1.00 0.00 N ATOM 1250 CZ ARG B 45 2.048 0.415 -9.655 1.00 0.00 C ATOM 1251 NH1 ARG B 45 1.146 -0.468 -10.064 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 3.152 0.605 -10.367 1.00 0.00 N ATOM 0 H ARG B 45 1.021 5.683 -6.252 1.00 0.00 H new ATOM 0 HA ARG B 45 0.491 3.543 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.190 3.499 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.504 3.472 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.739 1.344 -5.881 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.003 1.349 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG B 45 0.440 -0.084 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.196 1.396 -8.223 1.00 0.00 H new ATOM 0 HE ARG B 45 2.581 1.749 -8.225 1.00 0.00 H new ATOM 0 HH11 ARG B 45 0.301 -0.625 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG B 45 1.298 -0.989 -10.928 1.00 0.00 H new ATOM 0 HH21 ARG B 45 3.853 1.275 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG B 45 3.299 0.081 -11.230 1.00 0.00 H new ATOM 1266 N LEU B 46 2.789 3.087 -3.560 1.00 0.00 N ATOM 1267 CA LEU B 46 4.103 2.650 -3.106 1.00 0.00 C ATOM 1268 C LEU B 46 4.336 1.203 -3.513 1.00 0.00 C ATOM 1269 O LEU B 46 3.788 0.284 -2.906 1.00 0.00 O ATOM 1270 CB LEU B 46 4.224 2.770 -1.585 1.00 0.00 C ATOM 1271 CG LEU B 46 5.568 2.327 -0.991 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.644 3.375 -1.230 1.00 0.00 C ATOM 1273 CD2 LEU B 46 5.426 2.033 0.493 1.00 0.00 C ATOM 0 H LEU B 46 2.054 3.011 -2.857 1.00 0.00 H new ATOM 0 HA LEU B 46 4.852 3.291 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.048 3.809 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.432 2.178 -1.127 1.00 0.00 H new ATOM 0 HG LEU B 46 5.874 1.411 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.585 3.035 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.770 3.529 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.348 4.314 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.389 1.720 0.896 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.090 2.931 1.011 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.696 1.236 0.638 1.00 0.00 H new ATOM 1285 N VAL B 47 5.127 1.003 -4.550 1.00 0.00 N ATOM 1286 CA VAL B 47 5.491 -0.337 -4.974 1.00 0.00 C ATOM 1287 C VAL B 47 7.001 -0.505 -4.929 1.00 0.00 C ATOM 1288 O VAL B 47 7.727 0.008 -5.781 1.00 0.00 O ATOM 1289 CB VAL B 47 4.956 -0.675 -6.388 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.488 -1.056 -6.324 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.148 0.491 -7.348 1.00 0.00 C ATOM 0 H VAL B 47 5.530 1.751 -5.115 1.00 0.00 H new ATOM 0 HA VAL B 47 5.024 -1.035 -4.279 1.00 0.00 H new ATOM 0 HB VAL B 47 5.529 -1.523 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL B 47 3.129 -1.290 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.366 -1.928 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.913 -0.223 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.762 0.220 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.610 1.362 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.209 0.726 -7.427 1.00 0.00 H new ATOM 1301 N ILE B 48 7.482 -1.194 -3.907 1.00 0.00 N ATOM 1302 CA ILE B 48 8.907 -1.424 -3.774 1.00 0.00 C ATOM 1303 C ILE B 48 9.252 -2.782 -4.351 1.00 0.00 C ATOM 1304 O ILE B 48 8.799 -3.810 -3.854 1.00 0.00 O ATOM 1305 CB ILE B 48 9.384 -1.347 -2.309 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.857 -0.071 -1.643 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.910 -1.383 -2.253 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.191 0.030 -0.169 1.00 0.00 C ATOM 0 H ILE B 48 6.911 -1.599 -3.165 1.00 0.00 H new ATOM 0 HA ILE B 48 9.420 -0.634 -4.322 1.00 0.00 H new ATOM 0 HB ILE B 48 8.992 -2.207 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.270 0.795 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.775 -0.029 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.237 -1.328 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.269 -2.311 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.314 -0.535 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.786 0.959 0.233 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.755 -0.816 0.362 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.273 0.020 -0.040 1.00 0.00 H new ATOM 1320 N THR B 49 10.041 -2.771 -5.407 1.00 0.00 N ATOM 1321 CA THR B 49 10.408 -3.982 -6.115 1.00 0.00 C ATOM 1322 C THR B 49 11.716 -4.547 -5.564 1.00 0.00 C ATOM 1323 O THR B 49 12.796 -4.049 -5.877 1.00 0.00 O ATOM 1324 CB THR B 49 10.547 -3.698 -7.628 1.00 0.00 C ATOM 1325 OG1 THR B 49 9.319 -3.152 -8.128 1.00 0.00 O ATOM 1326 CG2 THR B 49 10.890 -4.968 -8.396 1.00 0.00 C ATOM 0 H THR B 49 10.446 -1.921 -5.799 1.00 0.00 H new ATOM 0 HA THR B 49 9.620 -4.720 -5.967 1.00 0.00 H new ATOM 0 HB THR B 49 11.357 -2.983 -7.770 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.408 -2.970 -9.087 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.982 -4.738 -9.457 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.834 -5.371 -8.029 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.100 -5.705 -8.251 1.00 0.00 H new ATOM 1334 N PRO B 50 11.639 -5.589 -4.722 1.00 0.00 N ATOM 1335 CA PRO B 50 12.820 -6.159 -4.082 1.00 0.00 C ATOM 1336 C PRO B 50 13.711 -6.895 -5.075 1.00 0.00 C ATOM 1337 O PRO B 50 13.272 -7.824 -5.754 1.00 0.00 O ATOM 1338 CB PRO B 50 12.237 -7.128 -3.051 1.00 0.00 C ATOM 1339 CG PRO B 50 10.900 -7.500 -3.589 1.00 0.00 C ATOM 1340 CD PRO B 50 10.402 -6.297 -4.342 1.00 0.00 C ATOM 0 HA PRO B 50 13.459 -5.393 -3.642 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.872 -8.005 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO B 50 12.152 -6.658 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.972 -8.368 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.216 -7.765 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.820 -6.585 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.758 -5.674 -3.721 1.00 0.00 H new ATOM 1348 N VAL B 51 14.958 -6.459 -5.167 1.00 0.00 N ATOM 1349 CA VAL B 51 15.935 -7.120 -6.019 1.00 0.00 C ATOM 1350 C VAL B 51 17.023 -7.746 -5.158 1.00 0.00 C ATOM 1351 O VAL B 51 17.635 -8.746 -5.526 1.00 0.00 O ATOM 1352 CB VAL B 51 16.571 -6.148 -7.040 1.00 0.00 C ATOM 1353 CG1 VAL B 51 15.492 -5.459 -7.858 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.455 -5.122 -6.354 1.00 0.00 C ATOM 0 H VAL B 51 15.318 -5.649 -4.662 1.00 0.00 H new ATOM 0 HA VAL B 51 15.412 -7.892 -6.584 1.00 0.00 H new ATOM 0 HB VAL B 51 17.201 -6.733 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL B 51 15.956 -4.778 -8.572 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.910 -6.207 -8.396 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.836 -4.897 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL B 51 17.886 -4.455 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL B 51 16.859 -4.541 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.256 -5.632 -5.818 1.00 0.00 H new ATOM 1364 N ASP B 52 17.242 -7.140 -3.996 1.00 0.00 N ATOM 1365 CA ASP B 52 18.186 -7.655 -3.018 1.00 0.00 C ATOM 1366 C ASP B 52 17.553 -8.819 -2.276 1.00 0.00 C ATOM 1367 O ASP B 52 18.121 -9.910 -2.197 1.00 0.00 O ATOM 1368 CB ASP B 52 18.576 -6.542 -2.043 1.00 0.00 C ATOM 1369 CG ASP B 52 19.387 -7.039 -0.860 1.00 0.00 C ATOM 1370 OD1 ASP B 52 20.629 -7.098 -0.974 1.00 0.00 O ATOM 1371 OD2 ASP B 52 18.782 -7.347 0.192 1.00 0.00 O1- ATOM 0 H ASP B 52 16.771 -6.282 -3.709 1.00 0.00 H new ATOM 0 HA ASP B 52 19.087 -8.005 -3.521 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.151 -5.785 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP B 52 17.672 -6.056 -1.677 1.00 0.00 H new ATOM 1376 N GLY B 53 16.366 -8.574 -1.743 1.00 0.00 N ATOM 1377 CA GLY B 53 15.577 -9.631 -1.156 1.00 0.00 C ATOM 1378 C GLY B 53 14.442 -10.025 -2.073 1.00 0.00 C ATOM 1379 O GLY B 53 14.342 -9.517 -3.189 1.00 0.00 O ATOM 0 H GLY B 53 15.933 -7.651 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY B 53 16.209 -10.497 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.178 -9.303 -0.196 1.00 0.00 H new ATOM 1383 N SER B 54 13.582 -10.913 -1.613 1.00 0.00 N ATOM 1384 CA SER B 54 12.456 -11.364 -2.412 1.00 0.00 C ATOM 1385 C SER B 54 11.173 -11.362 -1.586 1.00 0.00 C ATOM 1386 O SER B 54 10.463 -12.365 -1.505 1.00 0.00 O ATOM 1387 CB SER B 54 12.747 -12.754 -2.980 1.00 0.00 C ATOM 1388 OG SER B 54 13.344 -13.592 -1.999 1.00 0.00 O ATOM 0 H SER B 54 13.641 -11.338 -0.688 1.00 0.00 H new ATOM 0 HA SER B 54 12.312 -10.674 -3.244 1.00 0.00 H new ATOM 0 HB2 SER B 54 11.821 -13.207 -3.335 1.00 0.00 H new ATOM 0 HB3 SER B 54 13.410 -12.667 -3.841 1.00 0.00 H new ATOM 0 HG SER B 54 13.519 -14.475 -2.386 1.00 0.00 H new ATOM 1394 N ASP B 55 10.888 -10.227 -0.964 1.00 0.00 N ATOM 1395 CA ASP B 55 9.693 -10.085 -0.144 1.00 0.00 C ATOM 1396 C ASP B 55 8.860 -8.905 -0.620 1.00 0.00 C ATOM 1397 O ASP B 55 9.105 -7.774 -0.216 1.00 0.00 O ATOM 1398 CB ASP B 55 10.074 -9.885 1.320 1.00 0.00 C ATOM 1399 CG ASP B 55 8.869 -9.919 2.236 1.00 0.00 C ATOM 1400 OD1 ASP B 55 8.082 -10.889 2.154 1.00 0.00 O1- ATOM 1401 OD2 ASP B 55 8.702 -8.983 3.044 1.00 0.00 O ATOM 0 H ASP B 55 11.469 -9.390 -1.012 1.00 0.00 H new ATOM 0 HA ASP B 55 9.104 -10.997 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.778 -10.662 1.620 1.00 0.00 H new ATOM 0 HB3 ASP B 55 10.587 -8.930 1.433 1.00 0.00 H new ATOM 1406 N PRO B 56 7.882 -9.151 -1.502 1.00 0.00 N ATOM 1407 CA PRO B 56 7.020 -8.097 -2.052 1.00 0.00 C ATOM 1408 C PRO B 56 6.282 -7.305 -0.974 1.00 0.00 C ATOM 1409 O PRO B 56 5.731 -7.878 -0.027 1.00 0.00 O ATOM 1410 CB PRO B 56 6.018 -8.866 -2.919 1.00 0.00 C ATOM 1411 CG PRO B 56 6.695 -10.152 -3.239 1.00 0.00 C ATOM 1412 CD PRO B 56 7.540 -10.478 -2.042 1.00 0.00 C ATOM 0 HA PRO B 56 7.603 -7.354 -2.597 1.00 0.00 H new ATOM 0 HB2 PRO B 56 5.082 -9.034 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO B 56 5.773 -8.312 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.967 -10.940 -3.430 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.307 -10.059 -4.136 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.994 -11.080 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO B 56 8.431 -11.042 -2.319 1.00 0.00 H new ATOM 1420 N TYR B 57 6.283 -5.989 -1.125 1.00 0.00 N ATOM 1421 CA TYR B 57 5.543 -5.108 -0.240 1.00 0.00 C ATOM 1422 C TYR B 57 5.025 -3.910 -1.026 1.00 0.00 C ATOM 1423 O TYR B 57 5.799 -3.045 -1.456 1.00 0.00 O ATOM 1424 CB TYR B 57 6.414 -4.637 0.930 1.00 0.00 C ATOM 1425 CG TYR B 57 5.658 -3.806 1.949 1.00 0.00 C ATOM 1426 CD1 TYR B 57 4.958 -4.413 2.983 1.00 0.00 C ATOM 1427 CD2 TYR B 57 5.640 -2.418 1.871 1.00 0.00 C ATOM 1428 CE1 TYR B 57 4.261 -3.661 3.913 1.00 0.00 C ATOM 1429 CE2 TYR B 57 4.944 -1.659 2.796 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.257 -2.286 3.814 1.00 0.00 C ATOM 1431 OH TYR B 57 3.562 -1.535 4.740 1.00 0.00 O ATOM 0 H TYR B 57 6.795 -5.505 -1.862 1.00 0.00 H new ATOM 0 HA TYR B 57 4.701 -5.663 0.173 1.00 0.00 H new ATOM 0 HB2 TYR B 57 6.842 -5.507 1.428 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.247 -4.051 0.540 1.00 0.00 H new ATOM 0 HD1 TYR B 57 4.957 -5.490 3.063 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.178 -1.924 1.076 1.00 0.00 H new ATOM 0 HE1 TYR B 57 3.723 -4.149 4.712 1.00 0.00 H new ATOM 0 HE2 TYR B 57 4.939 -0.582 2.721 1.00 0.00 H new ATOM 0 HH TYR B 57 3.052 -0.837 4.279 1.00 0.00 H new ATOM 1441 N GLU B 58 3.718 -3.874 -1.215 1.00 0.00 N ATOM 1442 CA GLU B 58 3.077 -2.797 -1.943 1.00 0.00 C ATOM 1443 C GLU B 58 2.018 -2.140 -1.059 1.00 0.00 C ATOM 1444 O GLU B 58 1.291 -2.829 -0.344 1.00 0.00 O ATOM 1445 CB GLU B 58 2.436 -3.324 -3.235 1.00 0.00 C ATOM 1446 CG GLU B 58 3.420 -3.891 -4.257 1.00 0.00 C ATOM 1447 CD GLU B 58 3.893 -5.298 -3.942 1.00 0.00 C ATOM 1448 OE1 GLU B 58 3.078 -6.238 -4.020 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 5.089 -5.475 -3.644 1.00 0.00 O ATOM 0 H GLU B 58 3.075 -4.587 -0.870 1.00 0.00 H new ATOM 0 HA GLU B 58 3.830 -2.057 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.716 -4.101 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.876 -2.514 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.949 -3.888 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.286 -3.232 -4.317 1.00 0.00 H new ATOM 1456 N GLU B 59 1.938 -0.815 -1.100 1.00 0.00 N ATOM 1457 CA GLU B 59 1.005 -0.087 -0.247 1.00 0.00 C ATOM 1458 C GLU B 59 0.464 1.158 -0.949 1.00 0.00 C ATOM 1459 O GLU B 59 1.174 1.818 -1.707 1.00 0.00 O ATOM 1460 CB GLU B 59 1.694 0.316 1.064 1.00 0.00 C ATOM 1461 CG GLU B 59 0.757 0.971 2.070 1.00 0.00 C ATOM 1462 CD GLU B 59 1.444 1.351 3.367 1.00 0.00 C ATOM 1463 OE1 GLU B 59 2.083 0.475 3.988 1.00 0.00 O ATOM 1464 OE2 GLU B 59 1.315 2.517 3.799 1.00 0.00 O1- ATOM 0 H GLU B 59 2.504 -0.226 -1.711 1.00 0.00 H new ATOM 0 HA GLU B 59 0.166 -0.748 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU B 59 2.139 -0.570 1.518 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.510 1.003 0.839 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.321 1.864 1.622 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -0.065 0.289 2.288 1.00 0.00 H new ATOM 1471 N MET B 60 -0.805 1.458 -0.708 1.00 0.00 N ATOM 1472 CA MET B 60 -1.405 2.703 -1.170 1.00 0.00 C ATOM 1473 C MET B 60 -1.150 3.799 -0.141 1.00 0.00 C ATOM 1474 O MET B 60 -1.907 3.977 0.818 1.00 0.00 O ATOM 1475 CB MET B 60 -2.908 2.512 -1.442 1.00 0.00 C ATOM 1476 CG MET B 60 -3.705 3.807 -1.529 1.00 0.00 C ATOM 1477 SD MET B 60 -5.176 3.655 -2.563 1.00 0.00 S ATOM 1478 CE MET B 60 -6.103 2.416 -1.664 1.00 0.00 C ATOM 0 H MET B 60 -1.443 0.852 -0.192 1.00 0.00 H new ATOM 0 HA MET B 60 -0.946 3.003 -2.112 1.00 0.00 H new ATOM 0 HB2 MET B 60 -3.028 1.963 -2.376 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.331 1.892 -0.651 1.00 0.00 H new ATOM 0 HG2 MET B 60 -4.002 4.114 -0.526 1.00 0.00 H new ATOM 0 HG3 MET B 60 -3.066 4.595 -1.927 1.00 0.00 H new ATOM 0 HE1 MET B 60 -7.071 2.267 -2.143 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.550 1.477 -1.664 1.00 0.00 H new ATOM 0 HE3 MET B 60 -6.254 2.748 -0.637 1.00 0.00 H new ATOM 1488 N ILE B 61 -0.053 4.505 -0.334 1.00 0.00 N ATOM 1489 CA ILE B 61 0.370 5.540 0.590 1.00 0.00 C ATOM 1490 C ILE B 61 -0.150 6.898 0.139 1.00 0.00 C ATOM 1491 O ILE B 61 -0.627 7.044 -0.983 1.00 0.00 O ATOM 1492 CB ILE B 61 1.908 5.598 0.694 1.00 0.00 C ATOM 1493 CG1 ILE B 61 2.522 5.877 -0.677 1.00 0.00 C ATOM 1494 CG2 ILE B 61 2.451 4.303 1.277 1.00 0.00 C ATOM 1495 CD1 ILE B 61 4.009 6.123 -0.636 1.00 0.00 C ATOM 0 H ILE B 61 0.569 4.378 -1.133 1.00 0.00 H new ATOM 0 HA ILE B 61 -0.042 5.296 1.569 1.00 0.00 H new ATOM 0 HB ILE B 61 2.182 6.413 1.364 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.321 5.031 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE B 61 2.031 6.746 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE B 61 3.537 4.361 1.343 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.034 4.149 2.272 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.171 3.469 0.634 1.00 0.00 H new ATOM 0 HD11 ILE B 61 4.374 6.314 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE B 61 4.218 6.987 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE B 61 4.512 5.246 -0.228 1.00 0.00 H new ATOM 1507 N PRO B 62 -0.090 7.905 1.014 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.477 9.259 0.671 1.00 0.00 C ATOM 1509 C PRO B 62 0.707 10.088 0.175 1.00 0.00 C ATOM 1510 O PRO B 62 1.855 9.839 0.543 1.00 0.00 O ATOM 1511 CB PRO B 62 -0.978 9.783 2.004 1.00 0.00 C ATOM 1512 CG PRO B 62 -0.118 9.118 3.024 1.00 0.00 C ATOM 1513 CD PRO B 62 0.333 7.808 2.424 1.00 0.00 C ATOM 0 HA PRO B 62 -1.206 9.306 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.891 10.868 2.060 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -2.030 9.540 2.154 1.00 0.00 H new ATOM 0 HG2 PRO B 62 0.738 9.744 3.275 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -0.672 8.950 3.947 1.00 0.00 H new ATOM 0 HD2 PRO B 62 1.412 7.678 2.510 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.131 6.958 2.924 1.00 0.00 H new ATOM 1521 N LYS B 63 0.416 11.087 -0.645 1.00 0.00 N ATOM 1522 CA LYS B 63 1.450 11.940 -1.221 1.00 0.00 C ATOM 1523 C LYS B 63 1.976 12.920 -0.174 1.00 0.00 C ATOM 1524 O LYS B 63 2.967 13.609 -0.395 1.00 0.00 O ATOM 1525 CB LYS B 63 0.881 12.705 -2.420 1.00 0.00 C ATOM 1526 CG LYS B 63 1.697 12.557 -3.696 1.00 0.00 C ATOM 1527 CD LYS B 63 3.079 13.177 -3.569 1.00 0.00 C ATOM 1528 CE LYS B 63 3.007 14.684 -3.398 1.00 0.00 C ATOM 1529 NZ LYS B 63 4.356 15.302 -3.372 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.533 11.329 -0.929 1.00 0.00 H new ATOM 0 HA LYS B 63 2.278 11.314 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -0.135 12.359 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.815 13.763 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.796 11.500 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.164 13.027 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.597 12.739 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS B 63 3.667 12.939 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.426 15.115 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.481 14.920 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 4.264 16.331 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 4.902 14.910 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 4.848 15.099 -4.265 1.00 0.00 H new ATOM 1543 N TRP B 64 1.301 12.972 0.968 1.00 0.00 N ATOM 1544 CA TRP B 64 1.682 13.881 2.047 1.00 0.00 C ATOM 1545 C TRP B 64 2.791 13.255 2.885 1.00 0.00 C ATOM 1546 O TRP B 64 3.460 13.933 3.664 1.00 0.00 O ATOM 1547 CB TRP B 64 0.475 14.212 2.944 1.00 0.00 C ATOM 1548 CG TRP B 64 -0.847 13.811 2.357 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.396 14.251 1.186 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -1.793 12.897 2.926 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -2.609 13.643 0.977 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -2.876 12.809 2.032 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.826 12.131 4.101 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -3.976 11.990 2.271 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -2.920 11.322 4.338 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.980 11.254 3.428 1.00 0.00 C ATOM 0 H TRP B 64 0.485 12.395 1.173 1.00 0.00 H new ATOM 0 HA TRP B 64 2.042 14.808 1.600 1.00 0.00 H new ATOM 0 HB2 TRP B 64 0.601 13.713 3.905 1.00 0.00 H new ATOM 0 HB3 TRP B 64 0.464 15.284 3.141 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -0.942 14.972 0.522 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.213 13.788 0.168 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -1.010 12.173 4.808 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.796 11.936 1.571 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -2.958 10.732 5.242 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.819 10.608 3.641 1.00 0.00 H new ATOM 1567 N ARG B 65 2.977 11.955 2.702 1.00 0.00 N ATOM 1568 CA ARG B 65 3.996 11.201 3.418 1.00 0.00 C ATOM 1569 C ARG B 65 5.388 11.580 2.930 1.00 0.00 C ATOM 1570 O ARG B 65 5.621 11.700 1.726 1.00 0.00 O ATOM 1571 CB ARG B 65 3.754 9.699 3.216 1.00 0.00 C ATOM 1572 CG ARG B 65 4.894 8.801 3.684 1.00 0.00 C ATOM 1573 CD ARG B 65 5.097 8.864 5.192 1.00 0.00 C ATOM 1574 NE ARG B 65 3.896 8.467 5.928 1.00 0.00 N ATOM 1575 CZ ARG B 65 3.893 7.623 6.961 1.00 0.00 C ATOM 1576 NH1 ARG B 65 5.022 7.057 7.370 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 2.757 7.346 7.587 1.00 0.00 N ATOM 0 H ARG B 65 2.426 11.394 2.053 1.00 0.00 H new ATOM 0 HA ARG B 65 3.933 11.439 4.480 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.845 9.417 3.748 1.00 0.00 H new ATOM 0 HB3 ARG B 65 3.574 9.513 2.157 1.00 0.00 H new ATOM 0 HG2 ARG B 65 4.687 7.772 3.390 1.00 0.00 H new ATOM 0 HG3 ARG B 65 5.816 9.097 3.183 1.00 0.00 H new ATOM 0 HD2 ARG B 65 5.925 8.213 5.473 1.00 0.00 H new ATOM 0 HD3 ARG B 65 5.377 9.878 5.477 1.00 0.00 H new ATOM 0 HE ARG B 65 3.003 8.861 5.632 1.00 0.00 H new ATOM 0 HH11 ARG B 65 5.899 7.267 6.894 1.00 0.00 H new ATOM 0 HH12 ARG B 65 5.012 6.413 8.161 1.00 0.00 H new ATOM 0 HH21 ARG B 65 1.886 7.778 7.278 1.00 0.00 H new ATOM 0 HH22 ARG B 65 2.754 6.701 8.377 1.00 0.00 H new ATOM 1591 N GLN B 66 6.299 11.785 3.872 1.00 0.00 N ATOM 1592 CA GLN B 66 7.700 11.952 3.541 1.00 0.00 C ATOM 1593 C GLN B 66 8.238 10.624 3.031 1.00 0.00 C ATOM 1594 O GLN B 66 8.409 9.671 3.797 1.00 0.00 O ATOM 1595 CB GLN B 66 8.495 12.426 4.765 1.00 0.00 C ATOM 1596 CG GLN B 66 10.000 12.483 4.542 1.00 0.00 C ATOM 1597 CD GLN B 66 10.405 13.454 3.450 1.00 0.00 C ATOM 1598 OE1 GLN B 66 9.739 14.463 3.218 1.00 0.00 O ATOM 1599 NE2 GLN B 66 11.502 13.158 2.774 1.00 0.00 N ATOM 0 H GLN B 66 6.089 11.839 4.869 1.00 0.00 H new ATOM 0 HA GLN B 66 7.806 12.713 2.768 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.143 13.417 5.053 1.00 0.00 H new ATOM 0 HB3 GLN B 66 8.287 11.759 5.601 1.00 0.00 H new ATOM 0 HG2 GLN B 66 10.488 12.769 5.473 1.00 0.00 H new ATOM 0 HG3 GLN B 66 10.361 11.487 4.286 1.00 0.00 H new ATOM 0 HE21 GLN B 66 12.026 12.312 2.997 1.00 0.00 H new ATOM 0 HE22 GLN B 66 11.824 13.776 2.029 1.00 0.00 H new ATOM 1608 N LEU B 67 8.463 10.558 1.733 1.00 0.00 N ATOM 1609 CA LEU B 67 8.856 9.321 1.084 1.00 0.00 C ATOM 1610 C LEU B 67 10.352 9.097 1.208 1.00 0.00 C ATOM 1611 O LEU B 67 11.089 10.002 1.607 1.00 0.00 O ATOM 1612 CB LEU B 67 8.441 9.352 -0.387 1.00 0.00 C ATOM 1613 CG LEU B 67 6.963 9.666 -0.619 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.658 9.761 -2.104 1.00 0.00 C ATOM 1615 CD2 LEU B 67 6.088 8.615 0.036 1.00 0.00 C ATOM 0 H LEU B 67 8.379 11.355 1.101 1.00 0.00 H new ATOM 0 HA LEU B 67 8.349 8.493 1.579 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.044 10.097 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.670 8.386 -0.837 1.00 0.00 H new ATOM 0 HG LEU B 67 6.745 10.632 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.601 9.985 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.259 10.554 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.895 8.812 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU B 67 5.039 8.854 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.313 7.637 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU B 67 6.282 8.597 1.108 1.00 0.00 H new ATOM 1627 N ASN B 68 10.804 7.907 0.859 1.00 0.00 N ATOM 1628 CA ASN B 68 12.211 7.582 0.979 1.00 0.00 C ATOM 1629 C ASN B 68 13.010 8.258 -0.132 1.00 0.00 C ATOM 1630 O ASN B 68 14.059 8.851 0.120 1.00 0.00 O ATOM 1631 CB ASN B 68 12.433 6.059 0.966 1.00 0.00 C ATOM 1632 CG ASN B 68 11.900 5.371 -0.280 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.890 5.777 -0.853 1.00 0.00 O ATOM 1634 ND2 ASN B 68 12.582 4.322 -0.710 1.00 0.00 N ATOM 0 H ASN B 68 10.221 7.155 0.493 1.00 0.00 H new ATOM 0 HA ASN B 68 12.566 7.959 1.938 1.00 0.00 H new ATOM 0 HB2 ASN B 68 13.500 5.856 1.053 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.954 5.624 1.843 1.00 0.00 H new ATOM 0 HD21 ASN B 68 12.275 3.821 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN B 68 13.415 4.015 -0.208 1.00 0.00 H new ATOM 1641 N VAL B 69 12.497 8.184 -1.350 1.00 0.00 N ATOM 1642 CA VAL B 69 13.183 8.719 -2.513 1.00 0.00 C ATOM 1643 C VAL B 69 12.219 8.701 -3.711 1.00 0.00 C ATOM 1644 O VAL B 69 11.039 8.390 -3.535 1.00 0.00 O ATOM 1645 CB VAL B 69 14.480 7.910 -2.787 1.00 0.00 C ATOM 1646 CG1 VAL B 69 14.151 6.506 -3.249 1.00 0.00 C ATOM 1647 CG2 VAL B 69 15.407 8.615 -3.770 1.00 0.00 C ATOM 0 H VAL B 69 11.597 7.753 -1.559 1.00 0.00 H new ATOM 0 HA VAL B 69 13.485 9.751 -2.336 1.00 0.00 H new ATOM 0 HB VAL B 69 15.022 7.841 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL B 69 15.075 5.958 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.575 5.995 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.566 6.553 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL B 69 16.299 8.009 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.891 8.756 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.695 9.586 -3.366 1.00 0.00 H new ATOM 1657 N PHE B 70 12.684 9.060 -4.901 1.00 0.00 N ATOM 1658 CA PHE B 70 11.838 9.033 -6.089 1.00 0.00 C ATOM 1659 C PHE B 70 11.649 7.600 -6.592 1.00 0.00 C ATOM 1660 O PHE B 70 12.198 6.652 -6.028 1.00 0.00 O ATOM 1661 CB PHE B 70 12.442 9.894 -7.201 1.00 0.00 C ATOM 1662 CG PHE B 70 12.432 11.367 -6.907 1.00 0.00 C ATOM 1663 CD1 PHE B 70 13.486 11.962 -6.235 1.00 0.00 C ATOM 1664 CD2 PHE B 70 11.367 12.157 -7.309 1.00 0.00 C ATOM 1665 CE1 PHE B 70 13.478 13.318 -5.970 1.00 0.00 C ATOM 1666 CE2 PHE B 70 11.353 13.512 -7.046 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.411 14.095 -6.375 1.00 0.00 C ATOM 0 H PHE B 70 13.640 9.373 -5.070 1.00 0.00 H new ATOM 0 HA PHE B 70 10.865 9.439 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.470 9.576 -7.375 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.892 9.715 -8.125 1.00 0.00 H new ATOM 0 HD1 PHE B 70 14.323 11.360 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE B 70 10.538 11.707 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE B 70 14.307 13.770 -5.446 1.00 0.00 H new ATOM 0 HE2 PHE B 70 10.516 14.116 -7.364 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.403 15.155 -6.168 1.00 0.00 H new ATOM 1677 N GLU B 71 10.859 7.449 -7.647 1.00 0.00 N ATOM 1678 CA GLU B 71 10.547 6.131 -8.184 1.00 0.00 C ATOM 1679 C GLU B 71 11.671 5.606 -9.076 1.00 0.00 C ATOM 1680 O GLU B 71 12.425 6.381 -9.666 1.00 0.00 O ATOM 1681 CB GLU B 71 9.230 6.168 -8.959 1.00 0.00 C ATOM 1682 CG GLU B 71 9.242 7.100 -10.159 1.00 0.00 C ATOM 1683 CD GLU B 71 7.881 7.230 -10.807 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.531 6.373 -11.646 1.00 0.00 O1- ATOM 1685 OE2 GLU B 71 7.151 8.190 -10.477 1.00 0.00 O ATOM 0 H GLU B 71 10.423 8.223 -8.148 1.00 0.00 H new ATOM 0 HA GLU B 71 10.444 5.448 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU B 71 8.992 5.160 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.432 6.474 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.587 8.085 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU B 71 9.957 6.731 -10.894 1.00 0.00 H new ATOM 1692 N GLY B 72 11.776 4.282 -9.153 1.00 0.00 N ATOM 1693 CA GLY B 72 12.793 3.647 -9.969 1.00 0.00 C ATOM 1694 C GLY B 72 14.173 3.829 -9.378 1.00 0.00 C ATOM 1695 O GLY B 72 15.173 3.863 -10.093 1.00 0.00 O ATOM 0 H GLY B 72 11.166 3.632 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.574 2.583 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.769 4.067 -10.974 1.00 0.00 H new ATOM 1699 N GLU B 73 14.217 3.945 -8.061 1.00 0.00 N ATOM 1700 CA GLU B 73 15.460 4.174 -7.350 1.00 0.00 C ATOM 1701 C GLU B 73 15.864 2.939 -6.554 1.00 0.00 C ATOM 1702 O GLU B 73 15.052 2.354 -5.835 1.00 0.00 O ATOM 1703 CB GLU B 73 15.306 5.378 -6.425 1.00 0.00 C ATOM 1704 CG GLU B 73 15.268 6.711 -7.156 1.00 0.00 C ATOM 1705 CD GLU B 73 16.589 7.059 -7.808 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.483 7.576 -7.108 1.00 0.00 O1- ATOM 1707 OE2 GLU B 73 16.745 6.820 -9.024 1.00 0.00 O ATOM 0 H GLU B 73 13.396 3.883 -7.459 1.00 0.00 H new ATOM 0 HA GLU B 73 16.248 4.378 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.389 5.265 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU B 73 16.133 5.387 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.489 6.681 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.996 7.498 -6.453 1.00 0.00 H new ATOM 1714 N ARG B 74 17.116 2.537 -6.705 1.00 0.00 N ATOM 1715 CA ARG B 74 17.651 1.395 -5.979 1.00 0.00 C ATOM 1716 C ARG B 74 18.067 1.800 -4.571 1.00 0.00 C ATOM 1717 O ARG B 74 18.964 2.623 -4.386 1.00 0.00 O ATOM 1718 CB ARG B 74 18.836 0.801 -6.741 1.00 0.00 C ATOM 1719 CG ARG B 74 19.645 -0.215 -5.949 1.00 0.00 C ATOM 1720 CD ARG B 74 18.886 -1.514 -5.733 1.00 0.00 C ATOM 1721 NE ARG B 74 19.621 -2.417 -4.852 1.00 0.00 N ATOM 1722 CZ ARG B 74 20.357 -3.446 -5.272 1.00 0.00 C ATOM 1723 NH1 ARG B 74 20.454 -3.723 -6.569 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 21.007 -4.193 -4.387 1.00 0.00 N ATOM 0 H ARG B 74 17.785 2.988 -7.329 1.00 0.00 H new ATOM 0 HA ARG B 74 16.872 0.637 -5.896 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.467 0.325 -7.649 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.496 1.611 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.576 -0.424 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.914 0.211 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.908 -1.299 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.712 -2.000 -6.693 1.00 0.00 H new ATOM 0 HE ARG B 74 19.568 -2.249 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG B 74 19.963 -3.146 -7.252 1.00 0.00 H new ATOM 0 HH12 ARG B 74 21.020 -4.512 -6.881 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.941 -3.978 -3.392 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.572 -4.982 -4.702 1.00 0.00 H new ATOM 1738 N VAL B 75 17.400 1.217 -3.591 1.00 0.00 N ATOM 1739 CA VAL B 75 17.665 1.503 -2.188 1.00 0.00 C ATOM 1740 C VAL B 75 17.630 0.216 -1.373 1.00 0.00 C ATOM 1741 O VAL B 75 17.120 -0.805 -1.835 1.00 0.00 O ATOM 1742 CB VAL B 75 16.632 2.494 -1.600 1.00 0.00 C ATOM 1743 CG1 VAL B 75 16.773 3.871 -2.232 1.00 0.00 C ATOM 1744 CG2 VAL B 75 15.218 1.965 -1.784 1.00 0.00 C ATOM 0 H VAL B 75 16.659 0.532 -3.743 1.00 0.00 H new ATOM 0 HA VAL B 75 18.654 1.957 -2.133 1.00 0.00 H new ATOM 0 HB VAL B 75 16.830 2.591 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL B 75 16.035 4.547 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL B 75 17.774 4.258 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL B 75 16.611 3.796 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL B 75 14.506 2.676 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL B 75 15.015 1.832 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL B 75 15.119 1.007 -1.273 1.00 0.00 H new ATOM 1754 N GLU B 76 18.171 0.266 -0.169 1.00 0.00 N ATOM 1755 CA GLU B 76 18.173 -0.888 0.712 1.00 0.00 C ATOM 1756 C GLU B 76 17.258 -0.624 1.902 1.00 0.00 C ATOM 1757 O GLU B 76 17.064 0.525 2.303 1.00 0.00 O ATOM 1758 CB GLU B 76 19.596 -1.193 1.189 1.00 0.00 C ATOM 1759 CG GLU B 76 19.738 -2.550 1.861 1.00 0.00 C ATOM 1760 CD GLU B 76 21.156 -2.832 2.309 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.527 -2.409 3.423 1.00 0.00 O1- ATOM 1762 OE2 GLU B 76 21.910 -3.477 1.548 1.00 0.00 O ATOM 0 H GLU B 76 18.616 1.096 0.222 1.00 0.00 H new ATOM 0 HA GLU B 76 17.804 -1.755 0.165 1.00 0.00 H new ATOM 0 HB2 GLU B 76 20.273 -1.147 0.336 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.910 -0.417 1.887 1.00 0.00 H new ATOM 0 HG2 GLU B 76 19.073 -2.596 2.723 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.418 -3.329 1.169 1.00 0.00 H new ATOM 1769 N ARG B 77 16.690 -1.694 2.444 1.00 0.00 N ATOM 1770 CA ARG B 77 15.775 -1.612 3.572 1.00 0.00 C ATOM 1771 C ARG B 77 16.411 -0.885 4.754 1.00 0.00 C ATOM 1772 O ARG B 77 17.368 -1.373 5.355 1.00 0.00 O ATOM 1773 CB ARG B 77 15.367 -3.024 3.993 1.00 0.00 C ATOM 1774 CG ARG B 77 14.496 -3.074 5.237 1.00 0.00 C ATOM 1775 CD ARG B 77 14.302 -4.496 5.716 1.00 0.00 C ATOM 1776 NE ARG B 77 15.578 -5.143 6.022 1.00 0.00 N ATOM 1777 CZ ARG B 77 15.695 -6.360 6.549 1.00 0.00 C ATOM 1778 NH1 ARG B 77 14.617 -7.084 6.816 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 16.898 -6.851 6.805 1.00 0.00 N ATOM 0 H ARG B 77 16.852 -2.645 2.112 1.00 0.00 H new ATOM 0 HA ARG B 77 14.897 -1.044 3.263 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.832 -3.497 3.169 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.267 -3.613 4.169 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.954 -2.481 6.028 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.526 -2.625 5.023 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.671 -4.498 6.605 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.778 -5.069 4.951 1.00 0.00 H new ATOM 0 HE ARG B 77 16.434 -4.628 5.818 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.689 -6.710 6.618 1.00 0.00 H new ATOM 0 HH12 ARG B 77 14.715 -8.016 7.220 1.00 0.00 H new ATOM 0 HH21 ARG B 77 17.729 -6.297 6.598 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.993 -7.783 7.209 1.00 0.00 H new ATOM 1793 N GLY B 78 15.876 0.281 5.075 1.00 0.00 N ATOM 1794 CA GLY B 78 16.337 1.012 6.237 1.00 0.00 C ATOM 1795 C GLY B 78 17.209 2.203 5.889 1.00 0.00 C ATOM 1796 O GLY B 78 17.009 3.297 6.419 1.00 0.00 O ATOM 0 H GLY B 78 15.129 0.736 4.551 1.00 0.00 H new ATOM 0 HA2 GLY B 78 15.474 1.356 6.807 1.00 0.00 H new ATOM 0 HA3 GLY B 78 16.897 0.337 6.884 1.00 0.00 H new ATOM 1800 N ASP B 79 18.168 2.004 4.998 1.00 0.00 N ATOM 1801 CA ASP B 79 19.134 3.049 4.675 1.00 0.00 C ATOM 1802 C ASP B 79 18.656 3.917 3.518 1.00 0.00 C ATOM 1803 O ASP B 79 18.560 3.450 2.380 1.00 0.00 O ATOM 1804 CB ASP B 79 20.493 2.441 4.328 1.00 0.00 C ATOM 1805 CG ASP B 79 21.551 3.499 4.073 1.00 0.00 C ATOM 1806 OD1 ASP B 79 22.201 3.941 5.045 1.00 0.00 O1- ATOM 1807 OD2 ASP B 79 21.743 3.895 2.903 1.00 0.00 O ATOM 0 H ASP B 79 18.300 1.132 4.486 1.00 0.00 H new ATOM 0 HA ASP B 79 19.234 3.678 5.560 1.00 0.00 H new ATOM 0 HB2 ASP B 79 20.818 1.795 5.144 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.392 1.812 3.444 1.00 0.00 H new ATOM 1812 N VAL B 80 18.357 5.176 3.818 1.00 0.00 N ATOM 1813 CA VAL B 80 17.997 6.150 2.797 1.00 0.00 C ATOM 1814 C VAL B 80 17.812 7.547 3.405 1.00 0.00 C ATOM 1815 O VAL B 80 18.515 8.483 3.024 1.00 0.00 O ATOM 1816 CB VAL B 80 16.740 5.726 1.989 1.00 0.00 C ATOM 1817 CG1 VAL B 80 15.555 5.428 2.894 1.00 0.00 C ATOM 1818 CG2 VAL B 80 16.387 6.789 0.962 1.00 0.00 C ATOM 0 H VAL B 80 18.357 5.547 4.768 1.00 0.00 H new ATOM 0 HA VAL B 80 18.829 6.188 2.094 1.00 0.00 H new ATOM 0 HB VAL B 80 16.981 4.801 1.465 1.00 0.00 H new ATOM 0 HG11 VAL B 80 14.698 5.136 2.287 1.00 0.00 H new ATOM 0 HG12 VAL B 80 15.812 4.616 3.574 1.00 0.00 H new ATOM 0 HG13 VAL B 80 15.304 6.319 3.470 1.00 0.00 H new ATOM 0 HG21 VAL B 80 15.504 6.477 0.404 1.00 0.00 H new ATOM 0 HG22 VAL B 80 16.181 7.731 1.470 1.00 0.00 H new ATOM 0 HG23 VAL B 80 17.222 6.922 0.274 1.00 0.00 H new ATOM 1828 N ILE B 81 16.880 7.694 4.346 1.00 0.00 N ATOM 1829 CA ILE B 81 16.657 8.984 4.995 1.00 0.00 C ATOM 1830 C ILE B 81 16.859 8.879 6.504 1.00 0.00 C ATOM 1831 O ILE B 81 17.611 9.654 7.095 1.00 0.00 O ATOM 1832 CB ILE B 81 15.235 9.535 4.718 1.00 0.00 C ATOM 1833 CG1 ILE B 81 15.025 9.778 3.220 1.00 0.00 C ATOM 1834 CG2 ILE B 81 14.989 10.821 5.502 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.986 10.785 2.623 1.00 0.00 C ATOM 0 H ILE B 81 16.273 6.943 4.673 1.00 0.00 H new ATOM 0 HA ILE B 81 17.388 9.673 4.572 1.00 0.00 H new ATOM 0 HB ILE B 81 14.516 8.785 5.049 1.00 0.00 H new ATOM 0 HG12 ILE B 81 15.130 8.831 2.690 1.00 0.00 H new ATOM 0 HG13 ILE B 81 14.004 10.123 3.057 1.00 0.00 H new ATOM 0 HG21 ILE B 81 13.985 11.189 5.292 1.00 0.00 H new ATOM 0 HG22 ILE B 81 15.086 10.621 6.569 1.00 0.00 H new ATOM 0 HG23 ILE B 81 15.720 11.573 5.206 1.00 0.00 H new ATOM 0 HD11 ILE B 81 15.775 10.903 1.560 1.00 0.00 H new ATOM 0 HD12 ILE B 81 15.866 11.745 3.126 1.00 0.00 H new ATOM 0 HD13 ILE B 81 17.009 10.433 2.753 1.00 0.00 H new ATOM 1847 N SER B 82 16.198 7.908 7.117 1.00 0.00 N ATOM 1848 CA SER B 82 16.301 7.694 8.551 1.00 0.00 C ATOM 1849 C SER B 82 15.811 6.298 8.898 1.00 0.00 C ATOM 1850 O SER B 82 14.723 5.891 8.487 1.00 0.00 O ATOM 1851 CB SER B 82 15.494 8.754 9.310 1.00 0.00 C ATOM 1852 OG SER B 82 15.740 8.691 10.704 1.00 0.00 O ATOM 0 H SER B 82 15.581 7.252 6.639 1.00 0.00 H new ATOM 0 HA SER B 82 17.345 7.785 8.850 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.752 9.745 8.938 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.431 8.609 9.120 1.00 0.00 H new ATOM 0 HG SER B 82 15.213 9.380 11.161 1.00 0.00 H new ATOM 1858 N ASP B 83 16.622 5.564 9.639 1.00 0.00 N ATOM 1859 CA ASP B 83 16.285 4.202 10.005 1.00 0.00 C ATOM 1860 C ASP B 83 15.671 4.158 11.394 1.00 0.00 C ATOM 1861 O ASP B 83 16.087 4.884 12.301 1.00 0.00 O ATOM 1862 CB ASP B 83 17.519 3.295 9.945 1.00 0.00 C ATOM 1863 CG ASP B 83 18.554 3.633 10.998 1.00 0.00 C ATOM 1864 OD1 ASP B 83 19.298 4.621 10.812 1.00 0.00 O1- ATOM 1865 OD2 ASP B 83 18.634 2.908 12.015 1.00 0.00 O ATOM 0 H ASP B 83 17.519 5.890 9.999 1.00 0.00 H new ATOM 0 HA ASP B 83 15.553 3.834 9.286 1.00 0.00 H new ATOM 0 HB2 ASP B 83 17.207 2.258 10.070 1.00 0.00 H new ATOM 0 HB3 ASP B 83 17.974 3.375 8.958 1.00 0.00 H new ATOM 1870 N GLY B 84 14.667 3.318 11.545 1.00 0.00 N ATOM 1871 CA GLY B 84 14.016 3.148 12.820 1.00 0.00 C ATOM 1872 C GLY B 84 12.598 2.674 12.634 1.00 0.00 C ATOM 1873 O GLY B 84 12.321 2.058 11.586 1.00 0.00 O ATOM 1874 OXT GLY B 84 11.758 2.912 13.522 1.00 0.00 O ATOM 0 H GLY B 84 14.286 2.742 10.795 1.00 0.00 H new ATOM 0 HA2 GLY B 84 14.569 2.428 13.423 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.021 4.092 13.365 1.00 0.00 H new TER 1878 GLY B 84