USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot -112:sc= -1.14 USER MOD Set 1.2: A 7 GLN : amide:sc= -0.831 X(o=-2,f=-2.3) USER MOD Single : A 1 MET CE :methyl -121:sc= 0 (180deg=-0.152) USER MOD Single : A 9 SER OG : rot -18:sc= 0.455 USER MOD Single : A -1 GLY N :NH3+ -111:sc= 0.0799 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -2.58! C(o=-4.2!,f=-2.6!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.14! X(o=-1.1!,f=-1.4) USER MOD Single : A 14 THR OG1 : rot 73:sc= 0.00208 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -0.0615 (180deg=-0.783) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0978 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= -0.301! (180deg=-0.607!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 6:sc= 0.529! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -164:sc= -3.63! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -146:sc= -2.06! (180deg=-5.78!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 39:sc= -0.44 USER MOD Single : A 58 LYS NZ :NH3+ -104:sc= 0.749 (180deg=-1.76!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -6.64! C(o=-6.6!,f=-24!) USER MOD Single : A 67 SER OG : rot 114:sc= -3.01! USER MOD Single : A 69 SER OG : rot -29:sc= 0.179! USER MOD Single : A 74 THR OG1 : rot 52:sc= 0.239! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.00209 X(o=-0.0021,f=-0.11) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.62! C(o=-2.6!,f=-3.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.107) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -9.203 -14.090 -10.732 1.00 0.00 N ATOM 2 CA GLY A -1 -8.642 -12.945 -10.036 1.00 0.00 C ATOM 3 C GLY A -1 -9.560 -12.490 -8.899 1.00 0.00 C ATOM 4 O GLY A -1 -10.754 -12.784 -8.905 1.00 0.00 O ATOM 0 H1 GLY A -1 -8.625 -14.932 -10.537 1.00 0.00 H new ATOM 0 H2 GLY A -1 -10.176 -14.254 -10.403 1.00 0.00 H new ATOM 0 H3 GLY A -1 -9.211 -13.905 -11.755 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -7.662 -13.203 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -8.494 -12.125 -10.739 1.00 0.00 H new ATOM 8 N PRO A 0 -8.951 -11.761 -7.926 1.00 0.00 N ATOM 9 CA PRO A 0 -9.700 -11.263 -6.785 1.00 0.00 C ATOM 10 C PRO A 0 -10.573 -10.070 -7.180 1.00 0.00 C ATOM 11 O PRO A 0 -10.834 -9.853 -8.363 1.00 0.00 O ATOM 12 CB PRO A 0 -8.648 -10.911 -5.746 1.00 0.00 C ATOM 13 CG PRO A 0 -7.337 -10.785 -6.507 1.00 0.00 C ATOM 14 CD PRO A 0 -7.539 -11.393 -7.885 1.00 0.00 C ATOM 0 HA PRO A 0 -10.401 -11.998 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.896 -9.979 -5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.582 -11.683 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.043 -9.739 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.536 -11.300 -5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.293 -10.680 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.899 -12.263 -8.031 1.00 0.00 H new ATOM 22 N MET A 1 -11.000 -9.329 -6.169 1.00 0.00 N ATOM 23 CA MET A 1 -11.837 -8.164 -6.396 1.00 0.00 C ATOM 24 C MET A 1 -11.096 -7.107 -7.217 1.00 0.00 C ATOM 25 O MET A 1 -11.688 -6.451 -8.072 1.00 0.00 O ATOM 26 CB MET A 1 -12.256 -7.565 -5.051 1.00 0.00 C ATOM 27 CG MET A 1 -13.222 -8.495 -4.315 1.00 0.00 C ATOM 28 SD MET A 1 -14.838 -7.743 -4.217 1.00 0.00 S ATOM 29 CE MET A 1 -14.565 -6.594 -2.879 1.00 0.00 C ATOM 0 H MET A 1 -10.782 -9.513 -5.190 1.00 0.00 H new ATOM 0 HA MET A 1 -12.719 -8.478 -6.954 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.373 -7.390 -4.436 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.729 -6.596 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.287 -9.451 -4.835 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.847 -8.703 -3.313 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.261 -6.808 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.542 -6.695 -2.516 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.725 -5.576 -3.235 1.00 0.00 H new ATOM 39 N GLU A 2 -9.810 -6.974 -6.927 1.00 0.00 N ATOM 40 CA GLU A 2 -8.981 -6.007 -7.627 1.00 0.00 C ATOM 41 C GLU A 2 -9.560 -4.600 -7.472 1.00 0.00 C ATOM 42 O GLU A 2 -10.660 -4.322 -7.947 1.00 0.00 O ATOM 43 CB GLU A 2 -8.833 -6.380 -9.104 1.00 0.00 C ATOM 44 CG GLU A 2 -8.579 -7.880 -9.268 1.00 0.00 C ATOM 45 CD GLU A 2 -7.712 -8.158 -10.497 1.00 0.00 C ATOM 46 OE1 GLU A 2 -8.180 -7.828 -11.608 1.00 0.00 O ATOM 47 OE2 GLU A 2 -6.600 -8.694 -10.298 1.00 0.00 O ATOM 0 H GLU A 2 -9.322 -7.520 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.986 -6.020 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.736 -6.099 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.009 -5.818 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.087 -8.269 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.529 -8.405 -9.363 1.00 0.00 H new ATOM 54 N PHE A 3 -8.793 -3.749 -6.807 1.00 0.00 N ATOM 55 CA PHE A 3 -9.217 -2.377 -6.583 1.00 0.00 C ATOM 56 C PHE A 3 -8.385 -1.403 -7.420 1.00 0.00 C ATOM 57 O PHE A 3 -7.157 -1.470 -7.419 1.00 0.00 O ATOM 58 CB PHE A 3 -8.993 -2.075 -5.100 1.00 0.00 C ATOM 59 CG PHE A 3 -9.974 -2.787 -4.166 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.832 -4.117 -3.917 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.987 -2.091 -3.585 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.742 -4.777 -3.050 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.897 -2.751 -2.717 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.755 -4.081 -2.468 1.00 0.00 C ATOM 0 H PHE A 3 -7.880 -3.983 -6.416 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.262 -2.260 -6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.977 -2.362 -4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.073 -0.999 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.028 -4.670 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.100 -1.035 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.630 -5.833 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.701 -2.198 -2.255 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.447 -4.584 -1.808 1.00 0.00 H new ATOM 74 N THR A 4 -9.088 -0.521 -8.115 1.00 0.00 N ATOM 75 CA THR A 4 -8.429 0.466 -8.955 1.00 0.00 C ATOM 76 C THR A 4 -7.841 1.588 -8.098 1.00 0.00 C ATOM 77 O THR A 4 -8.315 1.844 -6.993 1.00 0.00 O ATOM 78 CB THR A 4 -9.443 0.958 -9.990 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.552 1.395 -9.208 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.013 -0.179 -10.840 1.00 0.00 C ATOM 0 H THR A 4 -10.107 -0.469 -8.114 1.00 0.00 H new ATOM 0 HA THR A 4 -7.584 0.031 -9.489 1.00 0.00 H new ATOM 0 HB THR A 4 -8.969 1.694 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.312 0.794 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.727 0.226 -11.557 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.203 -0.675 -11.375 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.516 -0.899 -10.194 1.00 0.00 H new ATOM 88 N ALA A 5 -6.816 2.229 -8.642 1.00 0.00 N ATOM 89 CA ALA A 5 -6.158 3.318 -7.941 1.00 0.00 C ATOM 90 C ALA A 5 -7.202 4.355 -7.524 1.00 0.00 C ATOM 91 O ALA A 5 -7.038 5.035 -6.512 1.00 0.00 O ATOM 92 CB ALA A 5 -5.068 3.914 -8.833 1.00 0.00 C ATOM 0 H ALA A 5 -6.426 2.015 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.675 2.954 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.574 4.731 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.336 3.144 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.516 4.292 -9.752 1.00 0.00 H new ATOM 98 N GLU A 6 -8.254 4.444 -8.325 1.00 0.00 N ATOM 99 CA GLU A 6 -9.325 5.387 -8.052 1.00 0.00 C ATOM 100 C GLU A 6 -10.147 4.922 -6.848 1.00 0.00 C ATOM 101 O GLU A 6 -10.452 5.714 -5.957 1.00 0.00 O ATOM 102 CB GLU A 6 -10.215 5.578 -9.282 1.00 0.00 C ATOM 103 CG GLU A 6 -9.881 6.886 -10.002 1.00 0.00 C ATOM 104 CD GLU A 6 -10.445 6.889 -11.424 1.00 0.00 C ATOM 105 OE1 GLU A 6 -11.690 6.870 -11.541 1.00 0.00 O ATOM 106 OE2 GLU A 6 -9.619 6.909 -12.362 1.00 0.00 O ATOM 0 H GLU A 6 -8.387 3.878 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.880 6.353 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.083 4.739 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.262 5.582 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.290 7.728 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.800 7.021 -10.036 1.00 0.00 H new ATOM 113 N GLN A 7 -10.483 3.641 -6.860 1.00 0.00 N ATOM 114 CA GLN A 7 -11.264 3.061 -5.780 1.00 0.00 C ATOM 115 C GLN A 7 -10.402 2.908 -4.525 1.00 0.00 C ATOM 116 O GLN A 7 -10.855 3.196 -3.418 1.00 0.00 O ATOM 117 CB GLN A 7 -11.866 1.719 -6.198 1.00 0.00 C ATOM 118 CG GLN A 7 -13.253 1.909 -6.816 1.00 0.00 C ATOM 119 CD GLN A 7 -13.185 1.859 -8.343 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.295 0.813 -8.962 1.00 0.00 O ATOM 121 NE2 GLN A 7 -12.998 3.045 -8.915 1.00 0.00 N ATOM 0 H GLN A 7 -10.229 2.988 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.089 3.736 -5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.208 1.229 -6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.937 1.062 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.926 1.132 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.669 2.865 -6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.914 3.882 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.939 3.118 -9.931 1.00 0.00 H new ATOM 130 N LEU A 8 -9.175 2.456 -4.740 1.00 0.00 N ATOM 131 CA LEU A 8 -8.246 2.261 -3.640 1.00 0.00 C ATOM 132 C LEU A 8 -8.047 3.588 -2.905 1.00 0.00 C ATOM 133 O LEU A 8 -7.854 3.606 -1.690 1.00 0.00 O ATOM 134 CB LEU A 8 -6.944 1.635 -4.143 1.00 0.00 C ATOM 135 CG LEU A 8 -5.730 1.781 -3.222 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.600 0.573 -2.292 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.454 2.022 -4.031 1.00 0.00 C ATOM 0 H LEU A 8 -8.803 2.219 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.654 1.554 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.118 0.573 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.699 2.080 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.882 2.658 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.730 0.701 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.497 0.488 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.481 -0.333 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.607 2.122 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.284 1.180 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.561 2.936 -4.615 1.00 0.00 H new ATOM 149 N SER A 9 -8.101 4.667 -3.672 1.00 0.00 N ATOM 150 CA SER A 9 -7.928 5.995 -3.110 1.00 0.00 C ATOM 151 C SER A 9 -9.146 6.365 -2.260 1.00 0.00 C ATOM 152 O SER A 9 -9.148 7.395 -1.587 1.00 0.00 O ATOM 153 CB SER A 9 -7.713 7.036 -4.210 1.00 0.00 C ATOM 154 OG SER A 9 -7.704 8.364 -3.694 1.00 0.00 O ATOM 0 H SER A 9 -8.262 4.648 -4.679 1.00 0.00 H new ATOM 0 HA SER A 9 -7.040 5.986 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.769 6.838 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.502 6.943 -4.957 1.00 0.00 H new ATOM 0 HG SER A 9 -8.122 8.373 -2.808 1.00 0.00 H new ATOM 160 N GLN A 10 -10.152 5.506 -2.319 1.00 0.00 N ATOM 161 CA GLN A 10 -11.373 5.729 -1.564 1.00 0.00 C ATOM 162 C GLN A 10 -11.361 4.901 -0.278 1.00 0.00 C ATOM 163 O GLN A 10 -12.356 4.854 0.444 1.00 0.00 O ATOM 164 CB GLN A 10 -12.608 5.410 -2.410 1.00 0.00 C ATOM 165 CG GLN A 10 -12.338 5.672 -3.893 1.00 0.00 C ATOM 166 CD GLN A 10 -13.582 5.380 -4.736 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.088 4.164 -4.550 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.050 6.204 -5.504 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.147 4.653 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.421 6.784 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.892 4.367 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.449 6.018 -2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.034 6.709 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.510 5.049 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.611 7.120 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.880 5.977 -6.052 1.00 0.00 H new ATOM 177 N TYR A 11 -10.224 4.268 -0.030 1.00 0.00 N ATOM 178 CA TYR A 11 -10.069 3.444 1.157 1.00 0.00 C ATOM 179 C TYR A 11 -8.769 3.779 1.891 1.00 0.00 C ATOM 180 O TYR A 11 -7.931 2.905 2.107 1.00 0.00 O ATOM 181 CB TYR A 11 -10.003 1.999 0.661 1.00 0.00 C ATOM 182 CG TYR A 11 -11.283 1.517 -0.026 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.439 1.349 0.709 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.281 1.251 -1.380 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.643 0.896 0.063 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.486 0.798 -2.026 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.607 0.643 -1.272 1.00 0.00 C ATOM 188 OH TYR A 11 -14.745 0.215 -1.883 1.00 0.00 O ATOM 0 H TYR A 11 -9.401 4.309 -0.631 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.893 3.611 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.171 1.903 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.788 1.345 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.440 1.557 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.376 1.382 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.554 0.760 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.499 0.586 -3.085 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.571 0.075 -2.837 1.00 0.00 H new ATOM 198 N ASN A 12 -8.641 5.047 2.254 1.00 0.00 N ATOM 199 CA ASN A 12 -7.457 5.507 2.960 1.00 0.00 C ATOM 200 C ASN A 12 -7.813 5.777 4.423 1.00 0.00 C ATOM 201 O ASN A 12 -7.025 6.369 5.158 1.00 0.00 O ATOM 202 CB ASN A 12 -6.927 6.809 2.354 1.00 0.00 C ATOM 203 CG ASN A 12 -7.832 7.989 2.713 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.646 8.442 1.925 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.646 8.459 3.943 1.00 0.00 N ATOM 0 H ASN A 12 -9.337 5.770 2.073 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.693 4.733 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.916 6.998 2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.864 6.711 1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.202 9.246 4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.947 8.033 4.552 1.00 0.00 H new ATOM 212 N GLY A 13 -9.002 5.330 4.802 1.00 0.00 N ATOM 213 CA GLY A 13 -9.472 5.516 6.164 1.00 0.00 C ATOM 214 C GLY A 13 -9.823 6.982 6.428 1.00 0.00 C ATOM 215 O GLY A 13 -8.950 7.782 6.760 1.00 0.00 O ATOM 0 H GLY A 13 -9.653 4.840 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.348 4.892 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.704 5.190 6.865 1.00 0.00 H new ATOM 219 N THR A 14 -11.102 7.288 6.269 1.00 0.00 N ATOM 220 CA THR A 14 -11.579 8.643 6.486 1.00 0.00 C ATOM 221 C THR A 14 -13.085 8.726 6.230 1.00 0.00 C ATOM 222 O THR A 14 -13.803 9.420 6.948 1.00 0.00 O ATOM 223 CB THR A 14 -10.759 9.581 5.598 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.191 10.516 6.511 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.638 10.439 4.684 1.00 0.00 C ATOM 0 H THR A 14 -11.823 6.621 5.993 1.00 0.00 H new ATOM 0 HA THR A 14 -11.440 8.950 7.523 1.00 0.00 H new ATOM 0 HB THR A 14 -10.068 8.995 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.478 10.081 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.007 11.086 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.228 9.792 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.306 11.050 5.291 1.00 0.00 H new ATOM 233 N ASP A 15 -13.519 8.008 5.204 1.00 0.00 N ATOM 234 CA ASP A 15 -14.926 7.991 4.845 1.00 0.00 C ATOM 235 C ASP A 15 -15.730 7.351 5.978 1.00 0.00 C ATOM 236 O ASP A 15 -15.190 7.072 7.047 1.00 0.00 O ATOM 237 CB ASP A 15 -15.161 7.170 3.575 1.00 0.00 C ATOM 238 CG ASP A 15 -15.449 7.991 2.317 1.00 0.00 C ATOM 239 OD1 ASP A 15 -14.866 9.092 2.212 1.00 0.00 O ATOM 240 OD2 ASP A 15 -16.247 7.500 1.489 1.00 0.00 O ATOM 0 H ASP A 15 -12.920 7.434 4.610 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.242 9.020 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.282 6.551 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.998 6.493 3.748 1.00 0.00 H new ATOM 245 N GLU A 16 -17.009 7.136 5.705 1.00 0.00 N ATOM 246 CA GLU A 16 -17.893 6.533 6.688 1.00 0.00 C ATOM 247 C GLU A 16 -17.214 5.330 7.346 1.00 0.00 C ATOM 248 O GLU A 16 -16.474 5.484 8.316 1.00 0.00 O ATOM 249 CB GLU A 16 -19.226 6.131 6.054 1.00 0.00 C ATOM 250 CG GLU A 16 -20.171 7.331 5.957 1.00 0.00 C ATOM 251 CD GLU A 16 -20.538 7.622 4.500 1.00 0.00 C ATOM 252 OE1 GLU A 16 -21.436 6.919 3.989 1.00 0.00 O ATOM 253 OE2 GLU A 16 -19.913 8.543 3.931 1.00 0.00 O ATOM 0 H GLU A 16 -17.454 7.369 4.817 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.104 7.273 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.051 5.720 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.692 5.344 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.076 7.133 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.698 8.208 6.399 1.00 0.00 H new ATOM 260 N SER A 17 -17.490 4.159 6.791 1.00 0.00 N ATOM 261 CA SER A 17 -16.915 2.930 7.312 1.00 0.00 C ATOM 262 C SER A 17 -15.885 2.375 6.325 1.00 0.00 C ATOM 263 O SER A 17 -15.227 1.375 6.607 1.00 0.00 O ATOM 264 CB SER A 17 -18.000 1.888 7.589 1.00 0.00 C ATOM 265 OG SER A 17 -18.776 2.218 8.738 1.00 0.00 O ATOM 0 H SER A 17 -18.104 4.035 5.986 1.00 0.00 H new ATOM 0 HA SER A 17 -16.419 3.158 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.654 1.806 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.537 0.912 7.732 1.00 0.00 H new ATOM 0 HG SER A 17 -19.459 1.530 8.880 1.00 0.00 H new ATOM 271 N LYS A 18 -15.779 3.049 5.189 1.00 0.00 N ATOM 272 CA LYS A 18 -14.841 2.635 4.159 1.00 0.00 C ATOM 273 C LYS A 18 -13.576 2.084 4.820 1.00 0.00 C ATOM 274 O LYS A 18 -12.975 2.744 5.666 1.00 0.00 O ATOM 275 CB LYS A 18 -14.575 3.784 3.184 1.00 0.00 C ATOM 276 CG LYS A 18 -15.173 3.484 1.808 1.00 0.00 C ATOM 277 CD LYS A 18 -16.645 3.085 1.924 1.00 0.00 C ATOM 278 CE LYS A 18 -16.965 1.897 1.016 1.00 0.00 C ATOM 279 NZ LYS A 18 -17.066 0.651 1.809 1.00 0.00 N ATOM 0 H LYS A 18 -16.327 3.878 4.959 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.264 1.830 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.003 4.706 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.501 3.945 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.080 4.362 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.611 2.681 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.875 2.829 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.277 3.932 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.902 2.077 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.188 1.791 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.737 0.002 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.131 0.199 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.401 0.876 2.768 1.00 0.00 H new ATOM 293 N PRO A 19 -13.199 0.847 4.396 1.00 0.00 N ATOM 294 CA PRO A 19 -12.016 0.200 4.937 1.00 0.00 C ATOM 295 C PRO A 19 -10.740 0.822 4.366 1.00 0.00 C ATOM 296 O PRO A 19 -10.792 1.563 3.385 1.00 0.00 O ATOM 297 CB PRO A 19 -12.172 -1.269 4.578 1.00 0.00 C ATOM 298 CG PRO A 19 -13.195 -1.316 3.455 1.00 0.00 C ATOM 299 CD PRO A 19 -13.886 0.036 3.396 1.00 0.00 C ATOM 0 HA PRO A 19 -11.925 0.326 6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.221 -1.696 4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.509 -1.848 5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.709 -1.538 2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.922 -2.108 3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.805 0.479 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.949 -0.052 3.620 1.00 0.00 H new ATOM 307 N ILE A 20 -9.625 0.499 5.004 1.00 0.00 N ATOM 308 CA ILE A 20 -8.338 1.018 4.572 1.00 0.00 C ATOM 309 C ILE A 20 -7.606 -0.056 3.763 1.00 0.00 C ATOM 310 O ILE A 20 -7.391 -1.165 4.250 1.00 0.00 O ATOM 311 CB ILE A 20 -7.540 1.537 5.769 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.362 2.536 6.585 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.201 2.126 5.322 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.803 1.926 7.917 1.00 0.00 C ATOM 0 H ILE A 20 -9.586 -0.116 5.817 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.475 1.876 3.914 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.318 0.693 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.771 3.433 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.238 2.843 6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.654 2.488 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.615 1.357 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.379 2.954 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.386 2.657 8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.414 1.043 7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.924 1.642 8.496 1.00 0.00 H new ATOM 326 N TYR A 21 -7.245 0.312 2.543 1.00 0.00 N ATOM 327 CA TYR A 21 -6.542 -0.605 1.662 1.00 0.00 C ATOM 328 C TYR A 21 -5.282 0.044 1.087 1.00 0.00 C ATOM 329 O TYR A 21 -5.338 1.152 0.554 1.00 0.00 O ATOM 330 CB TYR A 21 -7.509 -0.917 0.519 1.00 0.00 C ATOM 331 CG TYR A 21 -8.749 -1.704 0.948 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.682 -2.559 2.029 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.933 -1.558 0.256 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.849 -3.300 2.434 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.100 -2.299 0.660 1.00 0.00 C ATOM 336 CZ TYR A 21 -11.000 -3.133 1.729 1.00 0.00 C ATOM 337 OH TYR A 21 -12.102 -3.833 2.112 1.00 0.00 O ATOM 0 H TYR A 21 -7.426 1.233 2.143 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.235 -1.499 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.827 0.019 0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.979 -1.483 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.755 -2.673 2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.985 -0.888 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.811 -3.973 3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.033 -2.195 0.126 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.851 -3.614 1.519 1.00 0.00 H new ATOM 347 N VAL A 22 -4.175 -0.673 1.212 1.00 0.00 N ATOM 348 CA VAL A 22 -2.903 -0.180 0.711 1.00 0.00 C ATOM 349 C VAL A 22 -2.489 -1.002 -0.511 1.00 0.00 C ATOM 350 O VAL A 22 -2.858 -2.168 -0.633 1.00 0.00 O ATOM 351 CB VAL A 22 -1.857 -0.200 1.828 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.608 0.585 1.423 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.442 0.335 3.136 1.00 0.00 C ATOM 0 H VAL A 22 -4.132 -1.592 1.653 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.995 0.857 0.389 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.562 -1.236 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.119 0.555 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.173 0.140 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.880 1.620 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.678 0.310 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.779 1.362 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.287 -0.285 3.437 1.00 0.00 H new ATOM 363 N ALA A 23 -1.727 -0.360 -1.385 1.00 0.00 N ATOM 364 CA ALA A 23 -1.259 -1.017 -2.594 1.00 0.00 C ATOM 365 C ALA A 23 0.247 -1.267 -2.482 1.00 0.00 C ATOM 366 O ALA A 23 1.004 -0.367 -2.122 1.00 0.00 O ATOM 367 CB ALA A 23 -1.620 -0.164 -3.811 1.00 0.00 C ATOM 0 H ALA A 23 -1.422 0.608 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.746 -1.984 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.269 -0.657 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.702 -0.040 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.147 0.814 -3.723 1.00 0.00 H new ATOM 373 N ILE A 24 0.635 -2.493 -2.798 1.00 0.00 N ATOM 374 CA ILE A 24 2.037 -2.873 -2.738 1.00 0.00 C ATOM 375 C ILE A 24 2.395 -3.684 -3.985 1.00 0.00 C ATOM 376 O ILE A 24 1.945 -4.818 -4.142 1.00 0.00 O ATOM 377 CB ILE A 24 2.340 -3.597 -1.425 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.715 -2.602 -0.325 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.417 -4.665 -1.624 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.624 -3.256 0.718 1.00 0.00 C ATOM 0 H ILE A 24 0.004 -3.237 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 24 2.672 -1.987 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 24 1.435 -4.110 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.220 -1.742 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.811 -2.229 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.614 -5.165 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.073 -5.397 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.333 -4.196 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.876 -2.528 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.107 -4.101 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.537 -3.606 0.237 1.00 0.00 H new ATOM 392 N LYS A 25 3.201 -3.072 -4.840 1.00 0.00 N ATOM 393 CA LYS A 25 3.624 -3.723 -6.067 1.00 0.00 C ATOM 394 C LYS A 25 2.403 -3.975 -6.954 1.00 0.00 C ATOM 395 O LYS A 25 2.470 -4.755 -7.903 1.00 0.00 O ATOM 396 CB LYS A 25 4.427 -4.987 -5.754 1.00 0.00 C ATOM 397 CG LYS A 25 5.615 -4.671 -4.843 1.00 0.00 C ATOM 398 CD LYS A 25 5.682 -5.649 -3.669 1.00 0.00 C ATOM 399 CE LYS A 25 6.599 -6.831 -3.991 1.00 0.00 C ATOM 400 NZ LYS A 25 5.935 -7.760 -4.932 1.00 0.00 N ATOM 0 H LYS A 25 3.572 -2.131 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 25 4.298 -3.075 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.782 -5.722 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.784 -5.434 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.541 -4.722 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.528 -3.652 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.047 -5.132 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.681 -6.013 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.531 -6.468 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.859 -7.358 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.535 -8.598 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.017 -8.054 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.785 -7.283 -5.844 1.00 0.00 H new ATOM 414 N GLY A 26 1.315 -3.299 -6.613 1.00 0.00 N ATOM 415 CA GLY A 26 0.080 -3.439 -7.366 1.00 0.00 C ATOM 416 C GLY A 26 -0.885 -4.395 -6.662 1.00 0.00 C ATOM 417 O GLY A 26 -1.838 -4.880 -7.271 1.00 0.00 O ATOM 0 H GLY A 26 1.263 -2.653 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.391 -2.463 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.300 -3.810 -8.367 1.00 0.00 H new ATOM 421 N ARG A 27 -0.606 -4.637 -5.390 1.00 0.00 N ATOM 422 CA ARG A 27 -1.438 -5.526 -4.597 1.00 0.00 C ATOM 423 C ARG A 27 -2.115 -4.751 -3.465 1.00 0.00 C ATOM 424 O ARG A 27 -1.445 -4.083 -2.679 1.00 0.00 O ATOM 425 CB ARG A 27 -0.612 -6.668 -4.001 1.00 0.00 C ATOM 426 CG ARG A 27 -1.217 -7.152 -2.682 1.00 0.00 C ATOM 427 CD ARG A 27 -0.706 -8.549 -2.325 1.00 0.00 C ATOM 428 NE ARG A 27 -1.104 -9.517 -3.371 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.784 -10.818 -3.351 1.00 0.00 C ATOM 430 NH1 ARG A 27 -0.060 -11.315 -2.339 1.00 0.00 N ATOM 431 NH2 ARG A 27 -1.188 -11.623 -4.344 1.00 0.00 N ATOM 0 H ARG A 27 0.185 -4.233 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.196 -5.947 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.565 -7.495 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.412 -6.333 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.965 -6.454 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.304 -7.167 -2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.379 -8.534 -2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.109 -8.857 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.656 -9.172 -4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.248 -10.703 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.183 -12.305 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.739 -11.245 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.944 -12.613 -4.329 1.00 0.00 H new ATOM 445 N VAL A 28 -3.434 -4.865 -3.418 1.00 0.00 N ATOM 446 CA VAL A 28 -4.208 -4.183 -2.395 1.00 0.00 C ATOM 447 C VAL A 28 -4.180 -5.006 -1.106 1.00 0.00 C ATOM 448 O VAL A 28 -4.604 -6.161 -1.094 1.00 0.00 O ATOM 449 CB VAL A 28 -5.627 -3.917 -2.904 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.551 -3.503 -1.757 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.623 -2.863 -4.013 1.00 0.00 C ATOM 0 H VAL A 28 -3.986 -5.420 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.770 -3.211 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.012 -4.845 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.553 -3.320 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.589 -4.300 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.170 -2.593 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.643 -2.693 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.210 -1.931 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.013 -3.213 -4.846 1.00 0.00 H new ATOM 461 N PHE A 29 -3.676 -4.380 -0.053 1.00 0.00 N ATOM 462 CA PHE A 29 -3.586 -5.041 1.238 1.00 0.00 C ATOM 463 C PHE A 29 -4.525 -4.388 2.254 1.00 0.00 C ATOM 464 O PHE A 29 -5.057 -3.306 2.008 1.00 0.00 O ATOM 465 CB PHE A 29 -2.143 -4.885 1.721 1.00 0.00 C ATOM 466 CG PHE A 29 -1.167 -5.884 1.097 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.294 -7.212 1.358 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.171 -5.443 0.282 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.387 -8.140 0.779 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.735 -6.370 -0.297 1.00 0.00 C ATOM 471 CZ PHE A 29 0.608 -7.699 -0.036 1.00 0.00 C ATOM 0 H PHE A 29 -3.326 -3.422 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.871 -6.089 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.803 -3.873 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.119 -4.998 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.084 -7.562 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.070 -4.388 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.488 -9.195 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.525 -6.020 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.298 -8.404 -0.476 1.00 0.00 H new ATOM 481 N ASP A 30 -4.701 -5.072 3.375 1.00 0.00 N ATOM 482 CA ASP A 30 -5.567 -4.572 4.430 1.00 0.00 C ATOM 483 C ASP A 30 -4.716 -4.189 5.642 1.00 0.00 C ATOM 484 O ASP A 30 -3.968 -5.013 6.166 1.00 0.00 O ATOM 485 CB ASP A 30 -6.568 -5.640 4.873 1.00 0.00 C ATOM 486 CG ASP A 30 -6.979 -5.570 6.345 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.061 -5.605 7.193 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.202 -5.484 6.590 1.00 0.00 O ATOM 0 H ASP A 30 -4.259 -5.969 3.576 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.109 -3.709 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.463 -5.555 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.138 -6.623 4.678 1.00 0.00 H new ATOM 493 N VAL A 31 -4.860 -2.937 6.054 1.00 0.00 N ATOM 494 CA VAL A 31 -4.114 -2.435 7.195 1.00 0.00 C ATOM 495 C VAL A 31 -5.082 -1.780 8.183 1.00 0.00 C ATOM 496 O VAL A 31 -4.657 -1.181 9.170 1.00 0.00 O ATOM 497 CB VAL A 31 -3.011 -1.486 6.723 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.181 -2.124 5.607 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.595 -0.145 6.274 1.00 0.00 C ATOM 0 H VAL A 31 -5.482 -2.256 5.618 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.619 -3.254 7.717 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.349 -1.296 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.404 -1.429 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.720 -3.041 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.827 -2.357 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.789 0.510 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.291 -0.308 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.122 0.320 7.107 1.00 0.00 H new ATOM 509 N THR A 32 -6.366 -1.917 7.883 1.00 0.00 N ATOM 510 CA THR A 32 -7.398 -1.347 8.733 1.00 0.00 C ATOM 511 C THR A 32 -7.180 -1.763 10.189 1.00 0.00 C ATOM 512 O THR A 32 -7.633 -1.082 11.107 1.00 0.00 O ATOM 513 CB THR A 32 -8.757 -1.773 8.176 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.525 -2.086 9.335 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.688 -3.094 7.407 1.00 0.00 C ATOM 0 H THR A 32 -6.715 -2.414 7.064 1.00 0.00 H new ATOM 0 HA THR A 32 -7.356 -0.258 8.730 1.00 0.00 H new ATOM 0 HB THR A 32 -9.141 -0.991 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.423 -2.371 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.680 -3.350 7.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.000 -2.991 6.568 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.336 -3.883 8.071 1.00 0.00 H new ATOM 523 N THR A 33 -6.486 -2.880 10.354 1.00 0.00 N ATOM 524 CA THR A 33 -6.203 -3.395 11.683 1.00 0.00 C ATOM 525 C THR A 33 -5.516 -2.325 12.535 1.00 0.00 C ATOM 526 O THR A 33 -5.365 -2.492 13.744 1.00 0.00 O ATOM 527 CB THR A 33 -5.375 -4.672 11.529 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.939 -4.965 12.853 1.00 0.00 O ATOM 529 CG2 THR A 33 -4.078 -4.439 10.752 1.00 0.00 C ATOM 0 H THR A 33 -6.112 -3.442 9.590 1.00 0.00 H new ATOM 0 HA THR A 33 -7.122 -3.648 12.213 1.00 0.00 H new ATOM 0 HB THR A 33 -5.970 -5.431 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.355 -4.338 13.481 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.529 -5.377 10.672 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.313 -4.069 9.754 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.467 -3.704 11.276 1.00 0.00 H new ATOM 537 N GLY A 34 -5.119 -1.250 11.870 1.00 0.00 N ATOM 538 CA GLY A 34 -4.452 -0.153 12.550 1.00 0.00 C ATOM 539 C GLY A 34 -4.690 1.171 11.821 1.00 0.00 C ATOM 540 O GLY A 34 -3.747 1.913 11.551 1.00 0.00 O ATOM 0 H GLY A 34 -5.247 -1.115 10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.818 -0.079 13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.382 -0.353 12.608 1.00 0.00 H new ATOM 544 N LYS A 35 -5.956 1.426 11.523 1.00 0.00 N ATOM 545 CA LYS A 35 -6.330 2.647 10.830 1.00 0.00 C ATOM 546 C LYS A 35 -5.686 3.844 11.532 1.00 0.00 C ATOM 547 O LYS A 35 -5.425 4.870 10.905 1.00 0.00 O ATOM 548 CB LYS A 35 -7.852 2.750 10.710 1.00 0.00 C ATOM 549 CG LYS A 35 -8.441 3.547 11.875 1.00 0.00 C ATOM 550 CD LYS A 35 -9.967 3.599 11.787 1.00 0.00 C ATOM 551 CE LYS A 35 -10.503 4.924 12.333 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.472 5.521 11.387 1.00 0.00 N ATOM 0 H LYS A 35 -6.735 0.808 11.749 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.953 2.636 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.114 3.230 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.287 1.751 10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.143 3.092 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.038 4.560 11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.279 3.476 10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.396 2.770 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.982 4.759 13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.677 5.615 12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.826 6.420 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.004 5.697 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.268 4.867 11.247 1.00 0.00 H new ATOM 566 N SER A 36 -5.448 3.674 12.824 1.00 0.00 N ATOM 567 CA SER A 36 -4.839 4.727 13.618 1.00 0.00 C ATOM 568 C SER A 36 -3.466 5.087 13.046 1.00 0.00 C ATOM 569 O SER A 36 -2.902 6.126 13.385 1.00 0.00 O ATOM 570 CB SER A 36 -4.710 4.308 15.084 1.00 0.00 C ATOM 571 OG SER A 36 -5.686 4.940 15.908 1.00 0.00 O ATOM 0 H SER A 36 -5.666 2.822 13.341 1.00 0.00 H new ATOM 0 HA SER A 36 -5.485 5.604 13.575 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.815 3.226 15.162 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.713 4.558 15.446 1.00 0.00 H new ATOM 0 HG SER A 36 -5.571 4.645 16.836 1.00 0.00 H new ATOM 577 N PHE A 37 -2.969 4.208 12.190 1.00 0.00 N ATOM 578 CA PHE A 37 -1.673 4.419 11.568 1.00 0.00 C ATOM 579 C PHE A 37 -1.825 4.756 10.083 1.00 0.00 C ATOM 580 O PHE A 37 -1.157 5.655 9.574 1.00 0.00 O ATOM 581 CB PHE A 37 -0.892 3.111 11.704 1.00 0.00 C ATOM 582 CG PHE A 37 -0.425 2.810 13.130 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.002 3.822 13.932 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.437 1.532 13.594 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.436 3.543 15.256 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.003 1.253 14.917 1.00 0.00 C ATOM 587 CZ PHE A 37 0.424 2.265 15.720 1.00 0.00 C ATOM 0 H PHE A 37 -3.440 3.347 11.912 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.161 5.251 12.051 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.517 2.289 11.356 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.022 3.149 11.048 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.011 4.837 13.563 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.777 0.729 12.956 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.775 4.346 15.894 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.012 0.238 15.286 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.754 2.053 16.726 1.00 0.00 H new ATOM 597 N TYR A 38 -2.710 4.017 9.429 1.00 0.00 N ATOM 598 CA TYR A 38 -2.959 4.226 8.013 1.00 0.00 C ATOM 599 C TYR A 38 -4.172 5.133 7.798 1.00 0.00 C ATOM 600 O TYR A 38 -4.159 5.994 6.919 1.00 0.00 O ATOM 601 CB TYR A 38 -3.261 2.844 7.430 1.00 0.00 C ATOM 602 CG TYR A 38 -2.163 2.303 6.511 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.961 2.870 5.269 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.375 1.248 6.925 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.928 2.361 4.405 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.342 0.739 6.060 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.169 1.320 4.843 1.00 0.00 C ATOM 608 OH TYR A 38 0.806 0.840 4.026 1.00 0.00 O ATOM 0 H TYR A 38 -3.263 3.273 9.854 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.101 4.702 7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.414 2.141 8.249 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.196 2.893 6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.578 3.695 4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.533 0.804 7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.759 2.796 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.282 -0.086 6.371 1.00 0.00 H new ATOM 0 HH TYR A 38 1.097 -0.040 4.346 1.00 0.00 H new ATOM 618 N GLY A 39 -5.191 4.909 8.614 1.00 0.00 N ATOM 619 CA GLY A 39 -6.409 5.695 8.524 1.00 0.00 C ATOM 620 C GLY A 39 -6.118 7.183 8.733 1.00 0.00 C ATOM 621 O GLY A 39 -5.591 7.847 7.842 1.00 0.00 O ATOM 0 H GLY A 39 -5.198 4.194 9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.872 5.545 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.124 5.352 9.272 1.00 0.00 H new ATOM 625 N SER A 40 -6.474 7.663 9.916 1.00 0.00 N ATOM 626 CA SER A 40 -6.258 9.059 10.253 1.00 0.00 C ATOM 627 C SER A 40 -5.658 9.172 11.656 1.00 0.00 C ATOM 628 O SER A 40 -6.348 9.550 12.601 1.00 0.00 O ATOM 629 CB SER A 40 -7.562 9.855 10.168 1.00 0.00 C ATOM 630 OG SER A 40 -7.365 11.144 9.594 1.00 0.00 O ATOM 0 H SER A 40 -6.911 7.109 10.653 1.00 0.00 H new ATOM 0 HA SER A 40 -5.559 9.481 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.287 9.300 9.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.986 9.964 11.166 1.00 0.00 H new ATOM 0 HG SER A 40 -8.221 11.619 9.556 1.00 0.00 H new ATOM 636 N GLY A 41 -4.379 8.837 11.746 1.00 0.00 N ATOM 637 CA GLY A 41 -3.679 8.896 13.018 1.00 0.00 C ATOM 638 C GLY A 41 -2.199 9.226 12.814 1.00 0.00 C ATOM 639 O GLY A 41 -1.638 10.051 13.534 1.00 0.00 O ATOM 0 H GLY A 41 -3.810 8.524 10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.139 9.651 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.775 7.941 13.535 1.00 0.00 H new ATOM 643 N GLY A 42 -1.608 8.566 11.828 1.00 0.00 N ATOM 644 CA GLY A 42 -0.204 8.779 11.520 1.00 0.00 C ATOM 645 C GLY A 42 0.548 7.449 11.443 1.00 0.00 C ATOM 646 O GLY A 42 0.418 6.605 12.329 1.00 0.00 O ATOM 0 H GLY A 42 -2.076 7.883 11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.112 9.308 10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.247 9.413 12.283 1.00 0.00 H new ATOM 650 N ASP A 43 1.318 7.302 10.375 1.00 0.00 N ATOM 651 CA ASP A 43 2.091 6.089 10.170 1.00 0.00 C ATOM 652 C ASP A 43 2.150 5.773 8.674 1.00 0.00 C ATOM 653 O ASP A 43 3.207 5.424 8.151 1.00 0.00 O ATOM 654 CB ASP A 43 1.444 4.898 10.880 1.00 0.00 C ATOM 655 CG ASP A 43 2.028 4.570 12.255 1.00 0.00 C ATOM 656 OD1 ASP A 43 2.419 5.533 12.950 1.00 0.00 O ATOM 657 OD2 ASP A 43 2.071 3.364 12.581 1.00 0.00 O ATOM 0 H ASP A 43 1.423 8.003 9.642 1.00 0.00 H new ATOM 0 HA ASP A 43 3.089 6.252 10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.378 5.097 10.993 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.539 4.019 10.243 1.00 0.00 H new ATOM 662 N TYR A 44 1.001 5.907 8.028 1.00 0.00 N ATOM 663 CA TYR A 44 0.908 5.641 6.602 1.00 0.00 C ATOM 664 C TYR A 44 -0.125 6.554 5.940 1.00 0.00 C ATOM 665 O TYR A 44 -0.623 6.250 4.856 1.00 0.00 O ATOM 666 CB TYR A 44 0.445 4.188 6.474 1.00 0.00 C ATOM 667 CG TYR A 44 1.067 3.244 7.505 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.433 3.048 7.527 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.261 2.587 8.413 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.018 2.159 8.497 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.846 1.698 9.383 1.00 0.00 C ATOM 672 CZ TYR A 44 2.196 1.528 9.377 1.00 0.00 C ATOM 673 OH TYR A 44 2.748 0.688 10.293 1.00 0.00 O ATOM 0 H TYR A 44 0.126 6.196 8.466 1.00 0.00 H new ATOM 0 HA TYR A 44 1.867 5.819 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.640 4.153 6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.686 3.827 5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.063 3.562 6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.808 2.740 8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.085 1.997 8.525 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.227 1.178 10.099 1.00 0.00 H new ATOM 0 HH TYR A 44 2.042 0.309 10.857 1.00 0.00 H new ATOM 683 N SER A 45 -0.417 7.653 6.618 1.00 0.00 N ATOM 684 CA SER A 45 -1.383 8.613 6.109 1.00 0.00 C ATOM 685 C SER A 45 -1.070 8.944 4.648 1.00 0.00 C ATOM 686 O SER A 45 -1.969 9.278 3.878 1.00 0.00 O ATOM 687 CB SER A 45 -1.390 9.889 6.953 1.00 0.00 C ATOM 688 OG SER A 45 -1.018 11.034 6.191 1.00 0.00 O ATOM 0 H SER A 45 -0.002 7.901 7.516 1.00 0.00 H new ATOM 0 HA SER A 45 -2.375 8.165 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.384 10.040 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.704 9.773 7.792 1.00 0.00 H new ATOM 0 HG SER A 45 -1.036 11.829 6.764 1.00 0.00 H new ATOM 694 N MET A 46 0.207 8.840 4.311 1.00 0.00 N ATOM 695 CA MET A 46 0.649 9.125 2.957 1.00 0.00 C ATOM 696 C MET A 46 0.427 7.918 2.043 1.00 0.00 C ATOM 697 O MET A 46 0.277 8.072 0.831 1.00 0.00 O ATOM 698 CB MET A 46 2.135 9.489 2.970 1.00 0.00 C ATOM 699 CG MET A 46 2.971 8.359 3.574 1.00 0.00 C ATOM 700 SD MET A 46 3.384 8.743 5.268 1.00 0.00 S ATOM 701 CE MET A 46 3.835 10.462 5.095 1.00 0.00 C ATOM 0 H MET A 46 0.950 8.562 4.953 1.00 0.00 H new ATOM 0 HA MET A 46 0.065 9.961 2.573 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.472 9.692 1.954 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.284 10.403 3.544 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.416 7.422 3.530 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.882 8.218 2.992 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.634 10.701 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.178 10.647 4.077 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.968 11.089 5.305 1.00 0.00 H new ATOM 711 N PHE A 47 0.415 6.745 2.658 1.00 0.00 N ATOM 712 CA PHE A 47 0.214 5.513 1.914 1.00 0.00 C ATOM 713 C PHE A 47 -1.276 5.195 1.771 1.00 0.00 C ATOM 714 O PHE A 47 -1.704 4.657 0.751 1.00 0.00 O ATOM 715 CB PHE A 47 0.887 4.394 2.713 1.00 0.00 C ATOM 716 CG PHE A 47 2.359 4.658 3.034 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.067 5.554 2.295 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.961 3.996 4.058 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.433 5.799 2.593 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.328 4.240 4.356 1.00 0.00 C ATOM 721 CZ PHE A 47 5.035 5.137 3.617 1.00 0.00 C ATOM 0 H PHE A 47 0.541 6.621 3.663 1.00 0.00 H new ATOM 0 HA PHE A 47 0.635 5.610 0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.342 4.250 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.809 3.463 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.590 6.079 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.399 3.284 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.994 6.511 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.806 3.714 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.074 5.323 3.844 1.00 0.00 H new ATOM 731 N ALA A 48 -2.024 5.542 2.807 1.00 0.00 N ATOM 732 CA ALA A 48 -3.457 5.301 2.809 1.00 0.00 C ATOM 733 C ALA A 48 -4.033 5.665 1.440 1.00 0.00 C ATOM 734 O ALA A 48 -3.804 6.765 0.938 1.00 0.00 O ATOM 735 CB ALA A 48 -4.107 6.095 3.945 1.00 0.00 C ATOM 0 H ALA A 48 -1.665 5.988 3.651 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.668 4.246 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.182 5.914 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.684 5.778 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.918 7.159 3.800 1.00 0.00 H new ATOM 741 N GLY A 49 -4.770 4.721 0.873 1.00 0.00 N ATOM 742 CA GLY A 49 -5.381 4.929 -0.429 1.00 0.00 C ATOM 743 C GLY A 49 -4.322 5.246 -1.487 1.00 0.00 C ATOM 744 O GLY A 49 -4.591 5.975 -2.441 1.00 0.00 O ATOM 0 H GLY A 49 -4.958 3.810 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.936 4.038 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.099 5.747 -0.371 1.00 0.00 H new ATOM 748 N LYS A 50 -3.140 4.683 -1.283 1.00 0.00 N ATOM 749 CA LYS A 50 -2.040 4.896 -2.207 1.00 0.00 C ATOM 750 C LYS A 50 -1.017 3.770 -2.045 1.00 0.00 C ATOM 751 O LYS A 50 -0.882 3.200 -0.963 1.00 0.00 O ATOM 752 CB LYS A 50 -1.448 6.295 -2.021 1.00 0.00 C ATOM 753 CG LYS A 50 -2.433 7.372 -2.479 1.00 0.00 C ATOM 754 CD LYS A 50 -1.714 8.698 -2.740 1.00 0.00 C ATOM 755 CE LYS A 50 -1.864 9.125 -4.201 1.00 0.00 C ATOM 756 NZ LYS A 50 -0.829 10.120 -4.559 1.00 0.00 N ATOM 0 H LYS A 50 -2.920 4.079 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.395 4.858 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.195 6.450 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.521 6.380 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.940 7.044 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.201 7.514 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.121 9.471 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.657 8.597 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.780 8.254 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.855 9.549 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.945 10.399 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.928 10.958 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.114 9.703 -4.424 1.00 0.00 H new ATOM 770 N ASP A 51 -0.324 3.481 -3.137 1.00 0.00 N ATOM 771 CA ASP A 51 0.682 2.433 -3.129 1.00 0.00 C ATOM 772 C ASP A 51 2.012 3.012 -2.645 1.00 0.00 C ATOM 773 O ASP A 51 2.651 3.787 -3.355 1.00 0.00 O ATOM 774 CB ASP A 51 0.896 1.865 -4.534 1.00 0.00 C ATOM 775 CG ASP A 51 1.994 0.805 -4.642 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.771 0.691 -3.670 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.031 0.132 -5.695 1.00 0.00 O ATOM 0 H ASP A 51 -0.440 3.955 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 51 0.336 1.639 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.042 1.432 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.137 2.686 -5.209 1.00 0.00 H new ATOM 782 N ALA A 52 2.391 2.614 -1.439 1.00 0.00 N ATOM 783 CA ALA A 52 3.634 3.084 -0.852 1.00 0.00 C ATOM 784 C ALA A 52 4.731 2.045 -1.091 1.00 0.00 C ATOM 785 O ALA A 52 5.406 1.622 -0.154 1.00 0.00 O ATOM 786 CB ALA A 52 3.419 3.373 0.635 1.00 0.00 C ATOM 0 H ALA A 52 1.859 1.971 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 52 3.953 4.014 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.352 3.726 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.651 4.138 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.101 2.461 1.141 1.00 0.00 H new ATOM 792 N SER A 53 4.875 1.663 -2.352 1.00 0.00 N ATOM 793 CA SER A 53 5.879 0.682 -2.727 1.00 0.00 C ATOM 794 C SER A 53 7.271 1.316 -2.690 1.00 0.00 C ATOM 795 O SER A 53 8.176 0.798 -2.037 1.00 0.00 O ATOM 796 CB SER A 53 5.595 0.106 -4.115 1.00 0.00 C ATOM 797 OG SER A 53 5.270 -1.281 -4.062 1.00 0.00 O ATOM 0 H SER A 53 4.313 2.015 -3.127 1.00 0.00 H new ATOM 0 HA SER A 53 5.841 -0.137 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.772 0.654 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.467 0.250 -4.752 1.00 0.00 H new ATOM 0 HG SER A 53 4.712 -1.456 -3.276 1.00 0.00 H new ATOM 803 N ARG A 54 7.398 2.428 -3.398 1.00 0.00 N ATOM 804 CA ARG A 54 8.665 3.139 -3.455 1.00 0.00 C ATOM 805 C ARG A 54 8.994 3.745 -2.089 1.00 0.00 C ATOM 806 O ARG A 54 10.127 3.646 -1.619 1.00 0.00 O ATOM 807 CB ARG A 54 8.625 4.252 -4.504 1.00 0.00 C ATOM 808 CG ARG A 54 7.687 3.887 -5.656 1.00 0.00 C ATOM 809 CD ARG A 54 8.302 4.268 -7.005 1.00 0.00 C ATOM 810 NE ARG A 54 7.652 5.490 -7.529 1.00 0.00 N ATOM 811 CZ ARG A 54 7.932 6.730 -7.107 1.00 0.00 C ATOM 812 NH1 ARG A 54 8.851 6.921 -6.152 1.00 0.00 N ATOM 813 NH2 ARG A 54 7.292 7.780 -7.641 1.00 0.00 N ATOM 0 H ARG A 54 6.645 2.855 -3.937 1.00 0.00 H new ATOM 0 HA ARG A 54 9.437 2.421 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.293 5.181 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.629 4.429 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.480 2.817 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.733 4.399 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.373 4.436 -6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.181 3.449 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 54 6.946 5.381 -8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.338 6.122 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.064 7.865 -5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.592 7.635 -8.368 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.505 8.724 -7.320 1.00 0.00 H new ATOM 827 N ALA A 55 7.985 4.360 -1.491 1.00 0.00 N ATOM 828 CA ALA A 55 8.153 4.982 -0.189 1.00 0.00 C ATOM 829 C ALA A 55 8.585 3.922 0.826 1.00 0.00 C ATOM 830 O ALA A 55 9.361 4.209 1.737 1.00 0.00 O ATOM 831 CB ALA A 55 6.854 5.682 0.215 1.00 0.00 C ATOM 0 H ALA A 55 7.047 4.441 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 55 8.934 5.741 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.981 6.148 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.608 6.446 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.047 4.951 0.264 1.00 0.00 H new ATOM 837 N LEU A 56 8.063 2.719 0.636 1.00 0.00 N ATOM 838 CA LEU A 56 8.384 1.615 1.524 1.00 0.00 C ATOM 839 C LEU A 56 9.823 1.162 1.267 1.00 0.00 C ATOM 840 O LEU A 56 10.595 0.973 2.205 1.00 0.00 O ATOM 841 CB LEU A 56 7.352 0.495 1.381 1.00 0.00 C ATOM 842 CG LEU A 56 6.058 0.669 2.179 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.940 -0.207 1.611 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.293 0.404 3.668 1.00 0.00 C ATOM 0 H LEU A 56 7.420 2.485 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 56 8.331 1.935 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.095 0.398 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.819 -0.443 1.683 1.00 0.00 H new ATOM 0 HG LEU A 56 5.734 1.705 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.032 -0.064 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.751 0.072 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.240 -1.254 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.358 0.534 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.653 -0.616 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.036 1.105 4.049 1.00 0.00 H new ATOM 856 N GLY A 57 10.139 1.000 -0.010 1.00 0.00 N ATOM 857 CA GLY A 57 11.471 0.573 -0.402 1.00 0.00 C ATOM 858 C GLY A 57 12.529 1.573 0.069 1.00 0.00 C ATOM 859 O GLY A 57 13.324 1.269 0.957 1.00 0.00 O ATOM 0 H GLY A 57 9.496 1.157 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.681 -0.410 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.519 0.471 -1.486 1.00 0.00 H new ATOM 863 N LYS A 58 12.504 2.746 -0.546 1.00 0.00 N ATOM 864 CA LYS A 58 13.451 3.793 -0.201 1.00 0.00 C ATOM 865 C LYS A 58 13.276 4.167 1.272 1.00 0.00 C ATOM 866 O LYS A 58 14.216 4.633 1.913 1.00 0.00 O ATOM 867 CB LYS A 58 13.310 4.979 -1.158 1.00 0.00 C ATOM 868 CG LYS A 58 13.442 4.527 -2.614 1.00 0.00 C ATOM 869 CD LYS A 58 12.955 5.616 -3.572 1.00 0.00 C ATOM 870 CE LYS A 58 12.277 5.004 -4.799 1.00 0.00 C ATOM 871 NZ LYS A 58 13.137 5.152 -5.994 1.00 0.00 N ATOM 0 H LYS A 58 11.843 2.995 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 58 14.474 3.437 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.343 5.459 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.073 5.724 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.483 4.286 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.864 3.616 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.255 6.273 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.798 6.232 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.072 3.949 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.317 5.491 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.765 5.914 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.106 5.387 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.145 4.260 -6.529 1.00 0.00 H new ATOM 885 N MET A 59 12.066 3.949 1.765 1.00 0.00 N ATOM 886 CA MET A 59 11.756 4.258 3.151 1.00 0.00 C ATOM 887 C MET A 59 11.784 5.768 3.396 1.00 0.00 C ATOM 888 O MET A 59 12.401 6.234 4.353 1.00 0.00 O ATOM 889 CB MET A 59 12.772 3.573 4.067 1.00 0.00 C ATOM 890 CG MET A 59 12.835 2.069 3.789 1.00 0.00 C ATOM 891 SD MET A 59 14.516 1.489 3.944 1.00 0.00 S ATOM 892 CE MET A 59 14.345 0.424 5.367 1.00 0.00 C ATOM 0 H MET A 59 11.289 3.562 1.230 1.00 0.00 H new ATOM 0 HA MET A 59 10.753 3.892 3.369 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.757 4.015 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.500 3.743 5.109 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.191 1.534 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.461 1.860 2.787 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.310 -0.024 5.604 1.00 0.00 H new ATOM 0 HE2 MET A 59 13.997 1.008 6.219 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.623 -0.363 5.148 1.00 0.00 H new ATOM 902 N SER A 60 11.108 6.490 2.515 1.00 0.00 N ATOM 903 CA SER A 60 11.048 7.938 2.623 1.00 0.00 C ATOM 904 C SER A 60 9.654 8.371 3.084 1.00 0.00 C ATOM 905 O SER A 60 9.487 9.461 3.629 1.00 0.00 O ATOM 906 CB SER A 60 11.397 8.605 1.292 1.00 0.00 C ATOM 907 OG SER A 60 12.155 9.798 1.475 1.00 0.00 O ATOM 0 H SER A 60 10.597 6.100 1.723 1.00 0.00 H new ATOM 0 HA SER A 60 11.784 8.256 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.963 7.907 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.479 8.838 0.752 1.00 0.00 H new ATOM 0 HG SER A 60 12.359 10.193 0.602 1.00 0.00 H new ATOM 913 N LYS A 61 8.689 7.494 2.847 1.00 0.00 N ATOM 914 CA LYS A 61 7.315 7.772 3.231 1.00 0.00 C ATOM 915 C LYS A 61 6.833 9.030 2.507 1.00 0.00 C ATOM 916 O LYS A 61 5.868 9.664 2.932 1.00 0.00 O ATOM 917 CB LYS A 61 7.190 7.853 4.753 1.00 0.00 C ATOM 918 CG LYS A 61 7.736 6.586 5.416 1.00 0.00 C ATOM 919 CD LYS A 61 6.777 6.075 6.494 1.00 0.00 C ATOM 920 CE LYS A 61 7.430 6.125 7.877 1.00 0.00 C ATOM 921 NZ LYS A 61 6.714 5.238 8.821 1.00 0.00 N ATOM 0 H LYS A 61 8.831 6.591 2.394 1.00 0.00 H new ATOM 0 HA LYS A 61 6.661 6.956 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.734 8.723 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.145 7.991 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.887 5.813 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.710 6.794 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.870 6.679 6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.479 5.052 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.474 5.821 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.422 7.148 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.170 5.284 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.724 5.546 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.744 4.260 8.469 1.00 0.00 H new ATOM 935 N ASN A 62 7.526 9.355 1.425 1.00 0.00 N ATOM 936 CA ASN A 62 7.180 10.526 0.638 1.00 0.00 C ATOM 937 C ASN A 62 5.858 10.274 -0.090 1.00 0.00 C ATOM 938 O ASN A 62 5.697 9.250 -0.754 1.00 0.00 O ATOM 939 CB ASN A 62 8.251 10.818 -0.415 1.00 0.00 C ATOM 940 CG ASN A 62 7.782 11.900 -1.389 1.00 0.00 C ATOM 941 OD1 ASN A 62 6.734 12.504 -1.229 1.00 0.00 O ATOM 942 ND2 ASN A 62 8.613 12.110 -2.406 1.00 0.00 N ATOM 0 H ASN A 62 8.326 8.827 1.075 1.00 0.00 H new ATOM 0 HA ASN A 62 7.099 11.376 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.170 11.139 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.484 9.906 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.389 12.812 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.475 11.569 -2.481 1.00 0.00 H new ATOM 949 N GLU A 63 4.947 11.224 0.058 1.00 0.00 N ATOM 950 CA GLU A 63 3.644 11.117 -0.578 1.00 0.00 C ATOM 951 C GLU A 63 3.803 10.965 -2.092 1.00 0.00 C ATOM 952 O GLU A 63 2.882 10.521 -2.775 1.00 0.00 O ATOM 953 CB GLU A 63 2.768 12.323 -0.237 1.00 0.00 C ATOM 954 CG GLU A 63 1.405 11.877 0.296 1.00 0.00 C ATOM 955 CD GLU A 63 0.353 12.971 0.095 1.00 0.00 C ATOM 956 OE1 GLU A 63 -0.281 12.957 -0.982 1.00 0.00 O ATOM 957 OE2 GLU A 63 0.207 13.795 1.023 1.00 0.00 O ATOM 0 H GLU A 63 5.085 12.071 0.609 1.00 0.00 H new ATOM 0 HA GLU A 63 3.146 10.227 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.269 12.942 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.631 12.940 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.091 10.967 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.486 11.636 1.356 1.00 0.00 H new ATOM 964 N GLU A 64 4.979 11.343 -2.572 1.00 0.00 N ATOM 965 CA GLU A 64 5.270 11.255 -3.993 1.00 0.00 C ATOM 966 C GLU A 64 5.887 9.894 -4.324 1.00 0.00 C ATOM 967 O GLU A 64 5.841 9.450 -5.470 1.00 0.00 O ATOM 968 CB GLU A 64 6.188 12.396 -4.436 1.00 0.00 C ATOM 969 CG GLU A 64 6.005 13.625 -3.544 1.00 0.00 C ATOM 970 CD GLU A 64 5.375 14.780 -4.324 1.00 0.00 C ATOM 971 OE1 GLU A 64 4.132 14.766 -4.454 1.00 0.00 O ATOM 972 OE2 GLU A 64 6.150 15.651 -4.774 1.00 0.00 O ATOM 0 H GLU A 64 5.741 11.711 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 64 4.334 11.352 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.227 12.067 -4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.973 12.659 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.374 13.370 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.970 13.935 -3.144 1.00 0.00 H new ATOM 979 N ASP A 65 6.452 9.271 -3.300 1.00 0.00 N ATOM 980 CA ASP A 65 7.077 7.970 -3.469 1.00 0.00 C ATOM 981 C ASP A 65 5.992 6.898 -3.580 1.00 0.00 C ATOM 982 O ASP A 65 6.254 5.791 -4.048 1.00 0.00 O ATOM 983 CB ASP A 65 7.962 7.625 -2.269 1.00 0.00 C ATOM 984 CG ASP A 65 9.439 7.991 -2.428 1.00 0.00 C ATOM 985 OD1 ASP A 65 9.739 8.737 -3.385 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.235 7.516 -1.589 1.00 0.00 O ATOM 0 H ASP A 65 6.490 9.643 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 65 7.688 8.004 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.570 8.135 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.887 6.555 -2.077 1.00 0.00 H new ATOM 991 N VAL A 66 4.796 7.263 -3.142 1.00 0.00 N ATOM 992 CA VAL A 66 3.670 6.346 -3.186 1.00 0.00 C ATOM 993 C VAL A 66 3.235 6.150 -4.640 1.00 0.00 C ATOM 994 O VAL A 66 2.427 6.918 -5.159 1.00 0.00 O ATOM 995 CB VAL A 66 2.542 6.859 -2.289 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.621 5.715 -1.859 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.102 7.599 -1.073 1.00 0.00 C ATOM 0 H VAL A 66 4.582 8.182 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 66 3.957 5.369 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 66 1.949 7.567 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.828 6.106 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.182 5.250 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.197 4.972 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.279 7.953 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.730 6.923 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.697 8.449 -1.407 1.00 0.00 H new ATOM 1007 N SER A 67 3.791 5.116 -5.255 1.00 0.00 N ATOM 1008 CA SER A 67 3.471 4.809 -6.639 1.00 0.00 C ATOM 1009 C SER A 67 2.758 3.457 -6.723 1.00 0.00 C ATOM 1010 O SER A 67 3.248 2.459 -6.197 1.00 0.00 O ATOM 1011 CB SER A 67 4.730 4.800 -7.507 1.00 0.00 C ATOM 1012 OG SER A 67 5.558 3.673 -7.235 1.00 0.00 O ATOM 0 H SER A 67 4.460 4.481 -4.821 1.00 0.00 H new ATOM 0 HA SER A 67 2.808 5.587 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.445 4.795 -8.559 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.296 5.716 -7.335 1.00 0.00 H new ATOM 0 HG SER A 67 5.579 3.086 -8.019 1.00 0.00 H new ATOM 1018 N PRO A 68 1.583 3.468 -7.408 1.00 0.00 N ATOM 1019 CA PRO A 68 0.799 2.256 -7.568 1.00 0.00 C ATOM 1020 C PRO A 68 1.433 1.325 -8.604 1.00 0.00 C ATOM 1021 O PRO A 68 0.856 0.298 -8.957 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.587 2.734 -7.969 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.408 4.158 -8.470 1.00 0.00 C ATOM 1024 CD PRO A 68 0.973 4.631 -8.045 1.00 0.00 C ATOM 0 HA PRO A 68 0.753 1.662 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.010 2.097 -8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.272 2.701 -7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.508 4.196 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.179 4.808 -8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.558 4.966 -8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.909 5.472 -7.355 1.00 0.00 H new ATOM 1032 N SER A 69 2.613 1.718 -9.062 1.00 0.00 N ATOM 1033 CA SER A 69 3.332 0.932 -10.050 1.00 0.00 C ATOM 1034 C SER A 69 4.839 1.036 -9.806 1.00 0.00 C ATOM 1035 O SER A 69 5.396 2.133 -9.800 1.00 0.00 O ATOM 1036 CB SER A 69 2.992 1.389 -11.470 1.00 0.00 C ATOM 1037 OG SER A 69 4.039 2.163 -12.047 1.00 0.00 O ATOM 0 H SER A 69 3.089 2.571 -8.767 1.00 0.00 H new ATOM 0 HA SER A 69 3.025 -0.109 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.799 0.517 -12.095 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.074 1.977 -11.452 1.00 0.00 H new ATOM 0 HG SER A 69 4.525 2.635 -11.339 1.00 0.00 H new ATOM 1043 N LEU A 70 5.455 -0.120 -9.609 1.00 0.00 N ATOM 1044 CA LEU A 70 6.886 -0.173 -9.365 1.00 0.00 C ATOM 1045 C LEU A 70 7.632 -0.017 -10.692 1.00 0.00 C ATOM 1046 O LEU A 70 8.463 -0.853 -11.043 1.00 0.00 O ATOM 1047 CB LEU A 70 7.253 -1.447 -8.600 1.00 0.00 C ATOM 1048 CG LEU A 70 6.653 -2.748 -9.137 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.568 -2.723 -10.665 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.430 -3.962 -8.626 1.00 0.00 C ATOM 0 H LEU A 70 4.989 -1.027 -9.613 1.00 0.00 H new ATOM 0 HA LEU A 70 7.194 0.655 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.339 -1.545 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.941 -1.327 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 70 5.634 -2.836 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.138 -3.659 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.938 -1.891 -10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.567 -2.600 -11.083 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.983 -4.873 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.467 -3.894 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.395 -3.985 -7.537 1.00 0.00 H new ATOM 1062 N GLU A 71 7.308 1.060 -11.393 1.00 0.00 N ATOM 1063 CA GLU A 71 7.937 1.337 -12.673 1.00 0.00 C ATOM 1064 C GLU A 71 9.229 2.131 -12.469 1.00 0.00 C ATOM 1065 O GLU A 71 9.771 2.695 -13.418 1.00 0.00 O ATOM 1066 CB GLU A 71 6.978 2.080 -13.605 1.00 0.00 C ATOM 1067 CG GLU A 71 6.185 1.099 -14.471 1.00 0.00 C ATOM 1068 CD GLU A 71 5.890 1.698 -15.848 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.137 2.695 -15.883 1.00 0.00 O ATOM 1070 OE2 GLU A 71 6.423 1.145 -16.834 1.00 0.00 O ATOM 0 H GLU A 71 6.618 1.751 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 71 8.188 0.387 -13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.291 2.688 -13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.540 2.762 -14.243 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.748 0.173 -14.586 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.249 0.843 -13.974 1.00 0.00 H new ATOM 1077 N GLY A 72 9.684 2.150 -11.225 1.00 0.00 N ATOM 1078 CA GLY A 72 10.902 2.865 -10.885 1.00 0.00 C ATOM 1079 C GLY A 72 11.492 2.350 -9.571 1.00 0.00 C ATOM 1080 O GLY A 72 12.224 3.068 -8.891 1.00 0.00 O ATOM 0 H GLY A 72 9.231 1.682 -10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.632 2.748 -11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.690 3.931 -10.800 1.00 0.00 H new ATOM 1084 N LEU A 73 11.151 1.110 -9.252 1.00 0.00 N ATOM 1085 CA LEU A 73 11.637 0.490 -8.031 1.00 0.00 C ATOM 1086 C LEU A 73 13.061 -0.021 -8.256 1.00 0.00 C ATOM 1087 O LEU A 73 13.259 -1.064 -8.878 1.00 0.00 O ATOM 1088 CB LEU A 73 10.664 -0.590 -7.554 1.00 0.00 C ATOM 1089 CG LEU A 73 9.519 -0.113 -6.658 1.00 0.00 C ATOM 1090 CD1 LEU A 73 9.934 -0.126 -5.185 1.00 0.00 C ATOM 1091 CD2 LEU A 73 9.014 1.262 -7.099 1.00 0.00 C ATOM 0 H LEU A 73 10.544 0.518 -9.818 1.00 0.00 H new ATOM 0 HA LEU A 73 11.684 1.222 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.235 -1.077 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.230 -1.348 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 73 8.688 -0.810 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.102 0.217 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.207 -1.140 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.788 0.535 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.201 1.578 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.828 1.985 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.653 1.205 -8.126 1.00 0.00 H new ATOM 1103 N THR A 74 14.017 0.736 -7.737 1.00 0.00 N ATOM 1104 CA THR A 74 15.417 0.372 -7.873 1.00 0.00 C ATOM 1105 C THR A 74 15.737 -0.849 -7.010 1.00 0.00 C ATOM 1106 O THR A 74 14.834 -1.488 -6.473 1.00 0.00 O ATOM 1107 CB THR A 74 16.260 1.600 -7.525 1.00 0.00 C ATOM 1108 OG1 THR A 74 17.605 1.155 -7.685 1.00 0.00 O ATOM 1109 CG2 THR A 74 16.165 1.976 -6.045 1.00 0.00 C ATOM 0 H THR A 74 13.849 1.600 -7.222 1.00 0.00 H new ATOM 0 HA THR A 74 15.652 0.078 -8.896 1.00 0.00 H new ATOM 0 HB THR A 74 15.939 2.445 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 74 17.711 0.743 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.782 2.854 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.128 2.198 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.517 1.144 -5.435 1.00 0.00 H new ATOM 1117 N GLU A 75 17.026 -1.137 -6.904 1.00 0.00 N ATOM 1118 CA GLU A 75 17.477 -2.271 -6.115 1.00 0.00 C ATOM 1119 C GLU A 75 17.251 -2.005 -4.625 1.00 0.00 C ATOM 1120 O GLU A 75 16.812 -2.890 -3.892 1.00 0.00 O ATOM 1121 CB GLU A 75 18.947 -2.587 -6.398 1.00 0.00 C ATOM 1122 CG GLU A 75 19.077 -3.755 -7.378 1.00 0.00 C ATOM 1123 CD GLU A 75 20.003 -3.394 -8.542 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.021 -2.722 -8.269 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.671 -3.797 -9.677 1.00 0.00 O ATOM 0 H GLU A 75 17.772 -0.605 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 75 16.890 -3.144 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.440 -1.706 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.456 -2.831 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.466 -4.630 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.093 -4.024 -7.762 1.00 0.00 H new ATOM 1132 N LYS A 76 17.561 -0.782 -4.222 1.00 0.00 N ATOM 1133 CA LYS A 76 17.398 -0.387 -2.833 1.00 0.00 C ATOM 1134 C LYS A 76 15.982 -0.738 -2.371 1.00 0.00 C ATOM 1135 O LYS A 76 15.805 -1.408 -1.354 1.00 0.00 O ATOM 1136 CB LYS A 76 17.757 1.089 -2.649 1.00 0.00 C ATOM 1137 CG LYS A 76 16.578 1.871 -2.067 1.00 0.00 C ATOM 1138 CD LYS A 76 17.005 3.282 -1.656 1.00 0.00 C ATOM 1139 CE LYS A 76 17.206 3.375 -0.142 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.625 3.648 0.176 1.00 0.00 N ATOM 0 H LYS A 76 17.924 -0.051 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 76 18.088 -0.940 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.619 1.178 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.046 1.519 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.777 1.930 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.178 1.342 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.930 3.549 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.249 4.001 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.577 4.166 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.894 2.443 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.744 3.708 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.218 2.880 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.911 4.548 -0.259 1.00 0.00 H new ATOM 1154 N GLU A 77 15.010 -0.270 -3.140 1.00 0.00 N ATOM 1155 CA GLU A 77 13.615 -0.526 -2.823 1.00 0.00 C ATOM 1156 C GLU A 77 13.248 -1.970 -3.171 1.00 0.00 C ATOM 1157 O GLU A 77 12.580 -2.649 -2.393 1.00 0.00 O ATOM 1158 CB GLU A 77 12.698 0.462 -3.546 1.00 0.00 C ATOM 1159 CG GLU A 77 13.156 0.680 -4.989 1.00 0.00 C ATOM 1160 CD GLU A 77 13.520 2.146 -5.234 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.168 2.727 -4.337 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.143 2.652 -6.313 1.00 0.00 O ATOM 0 H GLU A 77 15.161 0.285 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 77 13.474 -0.384 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.675 0.086 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.692 1.414 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.018 0.047 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.364 0.379 -5.675 1.00 0.00 H new ATOM 1169 N ILE A 78 13.701 -2.396 -4.341 1.00 0.00 N ATOM 1170 CA ILE A 78 13.428 -3.747 -4.802 1.00 0.00 C ATOM 1171 C ILE A 78 13.767 -4.740 -3.688 1.00 0.00 C ATOM 1172 O ILE A 78 13.164 -5.808 -3.599 1.00 0.00 O ATOM 1173 CB ILE A 78 14.161 -4.023 -6.116 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.394 -3.443 -7.305 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.437 -5.519 -6.286 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.754 -4.554 -8.140 1.00 0.00 C ATOM 0 H ILE A 78 14.255 -1.830 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 78 12.368 -3.867 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 78 15.127 -3.519 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.622 -2.762 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.071 -2.859 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.959 -5.688 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.055 -5.871 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.494 -6.065 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.215 -4.114 -8.979 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.531 -5.219 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.060 -5.121 -7.520 1.00 0.00 H new ATOM 1188 N ASN A 79 14.730 -4.351 -2.865 1.00 0.00 N ATOM 1189 CA ASN A 79 15.157 -5.193 -1.761 1.00 0.00 C ATOM 1190 C ASN A 79 14.260 -4.930 -0.549 1.00 0.00 C ATOM 1191 O ASN A 79 13.788 -5.867 0.093 1.00 0.00 O ATOM 1192 CB ASN A 79 16.600 -4.883 -1.357 1.00 0.00 C ATOM 1193 CG ASN A 79 17.589 -5.709 -2.181 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.543 -6.928 -2.214 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.484 -4.980 -2.842 1.00 0.00 N ATOM 0 H ASN A 79 15.227 -3.463 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 79 15.088 -6.232 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.801 -3.821 -1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.738 -5.095 -0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.188 -5.438 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.466 -3.963 -2.770 1.00 0.00 H new ATOM 1202 N THR A 80 14.052 -3.651 -0.273 1.00 0.00 N ATOM 1203 CA THR A 80 13.220 -3.254 0.850 1.00 0.00 C ATOM 1204 C THR A 80 11.740 -3.448 0.512 1.00 0.00 C ATOM 1205 O THR A 80 10.986 -4.003 1.310 1.00 0.00 O ATOM 1206 CB THR A 80 13.576 -1.811 1.214 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.889 -1.904 1.759 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.730 -1.273 2.370 1.00 0.00 C ATOM 0 H THR A 80 14.445 -2.876 -0.808 1.00 0.00 H new ATOM 0 HA THR A 80 13.407 -3.881 1.722 1.00 0.00 H new ATOM 0 HB THR A 80 13.444 -1.173 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.199 -1.012 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.023 -0.246 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.676 -1.299 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.887 -1.891 3.254 1.00 0.00 H new ATOM 1216 N LEU A 81 11.369 -2.981 -0.670 1.00 0.00 N ATOM 1217 CA LEU A 81 9.993 -3.096 -1.123 1.00 0.00 C ATOM 1218 C LEU A 81 9.582 -4.570 -1.118 1.00 0.00 C ATOM 1219 O LEU A 81 8.595 -4.940 -0.483 1.00 0.00 O ATOM 1220 CB LEU A 81 9.817 -2.413 -2.480 1.00 0.00 C ATOM 1221 CG LEU A 81 8.510 -2.715 -3.218 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.581 -4.069 -3.926 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.312 -2.624 -2.271 1.00 0.00 C ATOM 0 H LEU A 81 11.998 -2.522 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 81 9.322 -2.574 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.888 -1.335 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.649 -2.703 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 81 8.369 -1.957 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.640 -4.259 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.396 -4.059 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.757 -4.855 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.396 -2.843 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.431 -3.346 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.253 -1.619 -1.854 1.00 0.00 H new ATOM 1235 N ASN A 82 10.358 -5.371 -1.833 1.00 0.00 N ATOM 1236 CA ASN A 82 10.086 -6.796 -1.919 1.00 0.00 C ATOM 1237 C ASN A 82 9.855 -7.352 -0.512 1.00 0.00 C ATOM 1238 O ASN A 82 8.826 -7.971 -0.247 1.00 0.00 O ATOM 1239 CB ASN A 82 11.268 -7.545 -2.536 1.00 0.00 C ATOM 1240 CG ASN A 82 11.235 -7.460 -4.063 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.872 -6.452 -4.646 1.00 0.00 O ATOM 1242 ND2 ASN A 82 11.635 -8.571 -4.676 1.00 0.00 N ATOM 0 H ASN A 82 11.175 -5.060 -2.358 1.00 0.00 H new ATOM 0 HA ASN A 82 9.205 -6.935 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.203 -7.125 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.243 -8.590 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.650 -8.614 -5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.926 -9.380 -4.127 1.00 0.00 H new ATOM 1249 N ASP A 83 10.830 -7.111 0.352 1.00 0.00 N ATOM 1250 CA ASP A 83 10.746 -7.580 1.725 1.00 0.00 C ATOM 1251 C ASP A 83 9.561 -6.905 2.418 1.00 0.00 C ATOM 1252 O ASP A 83 8.893 -7.517 3.251 1.00 0.00 O ATOM 1253 CB ASP A 83 12.013 -7.228 2.506 1.00 0.00 C ATOM 1254 CG ASP A 83 12.797 -8.428 3.041 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.198 -9.524 3.084 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.978 -8.222 3.395 1.00 0.00 O ATOM 0 H ASP A 83 11.682 -6.597 0.128 1.00 0.00 H new ATOM 0 HA ASP A 83 10.624 -8.663 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.669 -6.643 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.739 -6.589 3.345 1.00 0.00 H new ATOM 1261 N TRP A 84 9.335 -5.653 2.049 1.00 0.00 N ATOM 1262 CA TRP A 84 8.242 -4.888 2.625 1.00 0.00 C ATOM 1263 C TRP A 84 6.936 -5.622 2.312 1.00 0.00 C ATOM 1264 O TRP A 84 6.050 -5.709 3.162 1.00 0.00 O ATOM 1265 CB TRP A 84 8.254 -3.446 2.117 1.00 0.00 C ATOM 1266 CG TRP A 84 8.772 -2.430 3.138 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.639 -1.429 2.938 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.416 -2.358 4.535 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.869 -0.719 4.099 1.00 0.00 N ATOM 1270 CE2 TRP A 84 9.101 -1.302 5.101 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.545 -3.158 5.294 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.986 -0.950 6.451 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.441 -2.793 6.642 1.00 0.00 C ATOM 1274 CH2 TRP A 84 8.124 -1.733 7.227 1.00 0.00 C ATOM 0 H TRP A 84 9.890 -5.149 1.358 1.00 0.00 H new ATOM 0 HA TRP A 84 8.350 -4.815 3.707 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.872 -3.393 1.221 1.00 0.00 H new ATOM 0 HB3 TRP A 84 7.242 -3.167 1.823 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.100 -1.205 1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.488 0.085 4.203 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.999 -3.988 4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.533 -0.119 6.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.784 -3.376 7.271 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.990 -1.515 8.276 1.00 0.00 H new ATOM 1285 N GLU A 85 6.857 -6.130 1.091 1.00 0.00 N ATOM 1286 CA GLU A 85 5.675 -6.852 0.656 1.00 0.00 C ATOM 1287 C GLU A 85 5.453 -8.086 1.534 1.00 0.00 C ATOM 1288 O GLU A 85 4.349 -8.312 2.026 1.00 0.00 O ATOM 1289 CB GLU A 85 5.782 -7.242 -0.820 1.00 0.00 C ATOM 1290 CG GLU A 85 5.028 -8.543 -1.100 1.00 0.00 C ATOM 1291 CD GLU A 85 5.378 -9.093 -2.484 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.545 -9.511 -2.649 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.472 -9.083 -3.345 1.00 0.00 O ATOM 0 H GLU A 85 7.593 -6.055 0.389 1.00 0.00 H new ATOM 0 HA GLU A 85 4.812 -6.194 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.378 -6.443 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.831 -7.359 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.275 -9.282 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.954 -8.366 -1.036 1.00 0.00 H new ATOM 1300 N THR A 86 6.521 -8.852 1.703 1.00 0.00 N ATOM 1301 CA THR A 86 6.457 -10.056 2.513 1.00 0.00 C ATOM 1302 C THR A 86 6.054 -9.713 3.948 1.00 0.00 C ATOM 1303 O THR A 86 5.380 -10.499 4.612 1.00 0.00 O ATOM 1304 CB THR A 86 7.809 -10.765 2.414 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.726 -11.505 1.200 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.990 -11.836 3.492 1.00 0.00 C ATOM 0 H THR A 86 7.435 -8.662 1.293 1.00 0.00 H new ATOM 0 HA THR A 86 5.689 -10.738 2.148 1.00 0.00 H new ATOM 0 HB THR A 86 8.610 -10.030 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.563 -11.994 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.966 -12.308 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.925 -11.375 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.209 -12.589 3.391 1.00 0.00 H new ATOM 1314 N LYS A 87 6.484 -8.539 4.385 1.00 0.00 N ATOM 1315 CA LYS A 87 6.177 -8.082 5.730 1.00 0.00 C ATOM 1316 C LYS A 87 4.725 -7.602 5.781 1.00 0.00 C ATOM 1317 O LYS A 87 4.024 -7.838 6.764 1.00 0.00 O ATOM 1318 CB LYS A 87 7.190 -7.028 6.183 1.00 0.00 C ATOM 1319 CG LYS A 87 8.620 -7.564 6.085 1.00 0.00 C ATOM 1320 CD LYS A 87 9.618 -6.427 5.858 1.00 0.00 C ATOM 1321 CE LYS A 87 10.746 -6.474 6.890 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.229 -6.156 8.239 1.00 0.00 N ATOM 0 H LYS A 87 7.043 -7.890 3.831 1.00 0.00 H new ATOM 0 HA LYS A 87 6.267 -8.903 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.090 -6.134 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.978 -6.733 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.875 -8.099 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.688 -8.281 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.036 -6.500 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.103 -5.468 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.203 -7.464 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.526 -5.764 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.016 -5.860 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.534 -5.385 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.773 -6.999 8.644 1.00 0.00 H new ATOM 1336 N PHE A 88 4.318 -6.936 4.711 1.00 0.00 N ATOM 1337 CA PHE A 88 2.962 -6.421 4.621 1.00 0.00 C ATOM 1338 C PHE A 88 1.974 -7.535 4.270 1.00 0.00 C ATOM 1339 O PHE A 88 0.869 -7.582 4.809 1.00 0.00 O ATOM 1340 CB PHE A 88 2.954 -5.376 3.503 1.00 0.00 C ATOM 1341 CG PHE A 88 2.744 -3.942 3.993 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.533 -3.438 4.979 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.768 -3.171 3.442 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.338 -2.107 5.434 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.574 -1.840 3.896 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.363 -1.336 4.883 1.00 0.00 C ATOM 0 H PHE A 88 4.903 -6.741 3.899 1.00 0.00 H new ATOM 0 HA PHE A 88 2.661 -5.995 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.899 -5.430 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.166 -5.625 2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.308 -4.050 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.141 -3.571 2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.964 -1.707 6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.800 -1.227 3.458 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.215 -0.324 5.229 1.00 0.00 H new ATOM 1356 N GLU A 89 2.407 -8.404 3.369 1.00 0.00 N ATOM 1357 CA GLU A 89 1.574 -9.514 2.940 1.00 0.00 C ATOM 1358 C GLU A 89 1.485 -10.569 4.044 1.00 0.00 C ATOM 1359 O GLU A 89 0.473 -11.258 4.170 1.00 0.00 O ATOM 1360 CB GLU A 89 2.101 -10.125 1.640 1.00 0.00 C ATOM 1361 CG GLU A 89 2.039 -11.653 1.687 1.00 0.00 C ATOM 1362 CD GLU A 89 3.307 -12.234 2.315 1.00 0.00 C ATOM 1363 OE1 GLU A 89 4.325 -12.290 1.592 1.00 0.00 O ATOM 1364 OE2 GLU A 89 3.230 -12.608 3.505 1.00 0.00 O ATOM 0 H GLU A 89 3.324 -8.362 2.924 1.00 0.00 H new ATOM 0 HA GLU A 89 0.571 -9.135 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.513 -9.759 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.129 -9.804 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.168 -11.968 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.915 -12.047 0.678 1.00 0.00 H new ATOM 1371 N ALA A 90 2.557 -10.663 4.816 1.00 0.00 N ATOM 1372 CA ALA A 90 2.613 -11.622 5.906 1.00 0.00 C ATOM 1373 C ALA A 90 1.938 -11.024 7.142 1.00 0.00 C ATOM 1374 O ALA A 90 2.008 -11.595 8.229 1.00 0.00 O ATOM 1375 CB ALA A 90 4.069 -12.012 6.169 1.00 0.00 C ATOM 0 H ALA A 90 3.394 -10.091 4.708 1.00 0.00 H new ATOM 0 HA ALA A 90 2.074 -12.532 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.111 -12.731 6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.494 -12.459 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.641 -11.124 6.438 1.00 0.00 H new ATOM 1381 N LYS A 91 1.299 -9.883 6.933 1.00 0.00 N ATOM 1382 CA LYS A 91 0.611 -9.201 8.016 1.00 0.00 C ATOM 1383 C LYS A 91 -0.748 -8.704 7.519 1.00 0.00 C ATOM 1384 O LYS A 91 -1.789 -9.125 8.021 1.00 0.00 O ATOM 1385 CB LYS A 91 1.494 -8.097 8.600 1.00 0.00 C ATOM 1386 CG LYS A 91 2.317 -8.619 9.779 1.00 0.00 C ATOM 1387 CD LYS A 91 1.975 -7.864 11.065 1.00 0.00 C ATOM 1388 CE LYS A 91 2.460 -8.631 12.297 1.00 0.00 C ATOM 1389 NZ LYS A 91 1.397 -9.531 12.799 1.00 0.00 N ATOM 0 H LYS A 91 1.243 -9.413 6.029 1.00 0.00 H new ATOM 0 HA LYS A 91 0.417 -9.890 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.161 -7.713 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.872 -7.264 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.127 -9.683 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.380 -8.511 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.434 -6.876 11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.897 -7.714 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.347 -9.212 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.750 -7.929 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.743 -10.044 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.561 -8.970 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.140 -10.213 12.057 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.694 -7.814 6.538 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.907 -7.255 5.967 1.00 0.00 C ATOM 1405 C TYR A 92 -2.470 -8.166 4.875 1.00 0.00 C ATOM 1406 O TYR A 92 -1.753 -8.551 3.952 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.502 -5.919 5.342 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.034 -4.874 6.356 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.721 -4.706 7.541 1.00 0.00 C ATOM 1410 CD2 TYR A 92 0.075 -4.099 6.086 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.280 -3.722 8.496 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.516 -3.115 7.041 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.183 -2.975 8.199 1.00 0.00 C ATOM 1414 OH TYR A 92 0.233 -2.046 9.100 1.00 0.00 O ATOM 0 H TYR A 92 0.171 -7.467 6.125 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.675 -7.143 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.703 -6.094 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.350 -5.517 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.589 -5.312 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.613 -4.230 5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.809 -3.581 9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.383 -2.502 6.842 1.00 0.00 H new ATOM 0 HH TYR A 92 1.028 -1.589 8.755 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.782 -8.493 5.018 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.449 -9.352 4.054 1.00 0.00 C ATOM 1426 C PRO A 93 -4.744 -8.595 2.757 1.00 0.00 C ATOM 1427 O PRO A 93 -5.051 -7.405 2.785 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.707 -9.833 4.760 1.00 0.00 C ATOM 1429 CG PRO A 93 -5.935 -8.866 5.910 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.663 -8.056 6.097 1.00 0.00 C ATOM 0 HA PRO A 93 -3.833 -10.197 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.559 -9.839 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.584 -10.853 5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.778 -8.209 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.179 -9.409 6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.863 -6.986 6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.215 -8.242 7.073 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.640 -9.318 1.652 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.891 -8.730 0.347 1.00 0.00 C ATOM 1440 C VAL A 94 -6.323 -9.052 -0.086 1.00 0.00 C ATOM 1441 O VAL A 94 -6.645 -10.205 -0.368 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.841 -9.212 -0.656 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.416 -10.651 -0.355 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -4.352 -9.080 -2.091 1.00 0.00 C ATOM 0 H VAL A 94 -4.385 -10.306 1.633 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.801 -7.645 0.394 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.963 -8.575 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.669 -10.969 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.991 -10.703 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.284 -11.307 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.586 -9.429 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.253 -9.681 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.581 -8.035 -2.301 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.144 -8.013 -0.124 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.534 -8.172 -0.517 1.00 0.00 C ATOM 1456 C VAL A 95 -8.664 -7.927 -2.022 1.00 0.00 C ATOM 1457 O VAL A 95 -9.774 -7.825 -2.544 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.423 -7.247 0.318 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.251 -7.525 1.812 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -9.140 -5.778 -0.003 1.00 0.00 C ATOM 0 H VAL A 95 -6.874 -7.058 0.111 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.873 -9.190 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.461 -7.453 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.893 -6.855 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.525 -8.558 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.211 -7.360 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.785 -5.142 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.097 -5.552 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.337 -5.592 -1.059 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.516 -7.840 -2.677 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.488 -7.610 -4.111 1.00 0.00 C ATOM 1472 C GLY A 96 -6.122 -7.083 -4.555 1.00 0.00 C ATOM 1473 O GLY A 96 -5.279 -6.752 -3.722 1.00 0.00 O ATOM 0 H GLY A 96 -6.598 -7.925 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.712 -8.538 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.264 -6.895 -4.383 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.945 -7.021 -5.867 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.696 -6.539 -6.432 1.00 0.00 C ATOM 1479 C ARG A 97 -4.947 -5.306 -7.302 1.00 0.00 C ATOM 1480 O ARG A 97 -5.786 -5.337 -8.200 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.020 -7.622 -7.276 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.561 -7.618 -8.707 1.00 0.00 C ATOM 1483 CD ARG A 97 -3.853 -6.562 -9.558 1.00 0.00 C ATOM 1484 NE ARG A 97 -3.111 -7.214 -10.660 1.00 0.00 N ATOM 1485 CZ ARG A 97 -2.590 -6.558 -11.706 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -2.726 -5.228 -11.798 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -1.932 -7.231 -12.659 1.00 0.00 N ATOM 0 H ARG A 97 -6.646 -7.297 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.038 -6.275 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.943 -7.458 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.187 -8.599 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.424 -8.602 -9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.633 -7.421 -8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.583 -5.862 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.167 -5.984 -8.939 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.988 -8.226 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.226 -4.715 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.329 -4.729 -12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.827 -8.243 -12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.536 -6.731 -13.455 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.204 -4.250 -7.004 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.336 -3.009 -7.748 1.00 0.00 C ATOM 1503 C VAL A 98 -4.360 -3.318 -9.246 1.00 0.00 C ATOM 1504 O VAL A 98 -3.469 -3.993 -9.760 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.216 -2.042 -7.355 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.022 -0.965 -8.424 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.489 -1.415 -5.987 1.00 0.00 C ATOM 0 H VAL A 98 -3.509 -4.228 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.276 -2.514 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.290 -2.612 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.221 -0.291 -8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.761 -1.436 -9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.946 -0.399 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.679 -0.732 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.430 -0.865 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.553 -2.200 -5.233 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.390 -2.808 -9.906 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.543 -3.021 -11.335 1.00 0.00 C ATOM 1519 C VAL A 99 -5.339 -1.694 -12.069 1.00 0.00 C ATOM 1520 O VAL A 99 -4.220 -1.358 -12.451 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.901 -3.663 -11.627 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.770 -5.180 -11.773 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.921 -3.303 -10.545 1.00 0.00 C ATOM 0 H VAL A 99 -6.127 -2.248 -9.477 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.786 -3.715 -11.700 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.263 -3.265 -12.575 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.749 -5.612 -11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.091 -5.409 -12.595 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.376 -5.602 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.878 -3.772 -10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.567 -3.660 -9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.047 -2.221 -10.509 1.00 0.00 H new ATOM 1533 N SER A 100 -6.439 -0.976 -12.243 1.00 0.00 N ATOM 1534 CA SER A 100 -6.395 0.307 -12.924 1.00 0.00 C ATOM 1535 C SER A 100 -7.220 1.338 -12.151 1.00 0.00 C ATOM 1536 O SER A 100 -7.209 2.522 -12.483 1.00 0.00 O ATOM 1537 CB SER A 100 -6.908 0.186 -14.360 1.00 0.00 C ATOM 1538 OG SER A 100 -8.239 -0.321 -14.411 1.00 0.00 O ATOM 0 H SER A 100 -7.366 -1.258 -11.924 1.00 0.00 H new ATOM 0 HA SER A 100 -5.357 0.638 -12.964 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.874 1.164 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.248 -0.471 -14.927 1.00 0.00 H new ATOM 0 HG SER A 100 -8.530 -0.382 -15.345 1.00 0.00 H new TER 1544 SER A 100