USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 99 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.1!) USER MOD Set 1.2: A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -177:sc= -0.939 (180deg=0) USER MOD Set 2.3: A 59 MET CE :methyl -123:sc= -8.52! (180deg=-9.63!) USER MOD Set 2.4: B 478 MET CE :methyl -110:sc= -6.17! (180deg=-6.51!) USER MOD Set 3.1: A 51 THR OG1 : rot -66:sc= 0.711 USER MOD Set 3.2: A 97 MET CE :methyl -149:sc=-0.00116 (180deg=-0.179) USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0.519 USER MOD Set 4.2: A 111 TYR OH : rot 168:sc= -1.45 USER MOD Set 5.1: A 36 LYS NZ :NH3+ 140:sc= 0.996 (180deg=-0.621) USER MOD Set 5.2: A 38 HIS : no HD1:sc= -1.03 K(o=-0.031,f=-2) USER MOD Set 6.1: A 3 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-2.7!) USER MOD Set 6.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= -0.458 (180deg=-1.68!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.064 USER MOD Single : A 19 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.29) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -3.8! USER MOD Single : A 31 SER OG : rot 180:sc=-0.00864 USER MOD Single : A 32 THR OG1 : rot 82:sc= -0.932 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.752 X(o=-0.75,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 58 MET CE :methyl 135:sc= -3.9 (180deg=-7.04!) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00074) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -129:sc= -4.99! (180deg=-11.9!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.764 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0309 X(o=-0.031,f=0.24) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.392) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.975 K(o=-0.97,f=-2!) USER MOD Single : A 109 SER OG : rot 62:sc= 1.18 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 480 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -7.679 15.458 11.976 1.00 0.00 N ATOM 2 CA PRO A 1 -7.591 14.145 11.281 1.00 0.00 C ATOM 3 C PRO A 1 -6.166 13.841 10.822 1.00 0.00 C ATOM 4 O PRO A 1 -5.814 14.069 9.664 1.00 0.00 O ATOM 5 CB PRO A 1 -8.538 14.191 10.086 1.00 0.00 C ATOM 6 CG PRO A 1 -9.007 15.607 10.042 1.00 0.00 C ATOM 7 CD PRO A 1 -8.869 16.145 11.445 1.00 0.00 C ATOM 0 H2 PRO A 1 -6.838 16.011 11.810 1.00 0.00 H new ATOM 0 H3 PRO A 1 -7.757 15.328 12.985 1.00 0.00 H new ATOM 0 HA PRO A 1 -7.873 13.349 11.970 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.029 13.912 9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.371 13.500 10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.411 16.192 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.042 15.663 9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -8.739 17.227 11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.754 15.930 12.044 1.00 0.00 H new ATOM 17 N SER A 2 -5.351 13.325 11.737 1.00 0.00 N ATOM 18 CA SER A 2 -3.967 12.990 11.426 1.00 0.00 C ATOM 19 C SER A 2 -3.816 11.497 11.157 1.00 0.00 C ATOM 20 O SER A 2 -3.015 11.085 10.318 1.00 0.00 O ATOM 21 CB SER A 2 -3.048 13.408 12.575 1.00 0.00 C ATOM 22 OG SER A 2 -3.740 13.396 13.812 1.00 0.00 O ATOM 0 H SER A 2 -5.626 13.130 12.700 1.00 0.00 H new ATOM 0 HA SER A 2 -3.682 13.534 10.526 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.194 12.733 12.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.654 14.406 12.385 1.00 0.00 H new ATOM 0 HG SER A 2 -3.130 13.665 14.531 1.00 0.00 H new ATOM 28 N HIS A 3 -4.591 10.690 11.874 1.00 0.00 N ATOM 29 CA HIS A 3 -4.544 9.239 11.712 1.00 0.00 C ATOM 30 C HIS A 3 -5.818 8.709 11.075 1.00 0.00 C ATOM 31 O HIS A 3 -6.143 7.528 11.183 1.00 0.00 O ATOM 32 CB HIS A 3 -4.286 8.547 13.049 1.00 0.00 C ATOM 33 CG HIS A 3 -5.242 8.944 14.132 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.415 9.629 13.893 1.00 0.00 N ATOM 35 CD2 HIS A 3 -5.193 8.743 15.471 1.00 0.00 C ATOM 36 CE1 HIS A 3 -7.044 9.834 15.037 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.324 9.306 16.009 1.00 0.00 N ATOM 0 H HIS A 3 -5.259 11.015 12.573 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.715 9.013 11.042 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.343 7.468 12.905 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.270 8.773 13.374 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.410 8.235 16.014 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.987 10.347 15.156 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.568 9.315 16.999 1.00 0.00 H new ATOM 46 N SER A 4 -6.529 9.593 10.408 1.00 0.00 N ATOM 47 CA SER A 4 -7.769 9.234 9.735 1.00 0.00 C ATOM 48 C SER A 4 -7.837 9.898 8.373 1.00 0.00 C ATOM 49 O SER A 4 -7.250 10.959 8.161 1.00 0.00 O ATOM 50 CB SER A 4 -8.978 9.636 10.580 1.00 0.00 C ATOM 51 OG SER A 4 -8.729 10.838 11.289 1.00 0.00 O ATOM 0 H SER A 4 -6.270 10.575 10.314 1.00 0.00 H new ATOM 0 HA SER A 4 -7.787 8.152 9.601 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.849 9.763 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.215 8.838 11.283 1.00 0.00 H new ATOM 0 HG SER A 4 -9.518 11.074 11.820 1.00 0.00 H new ATOM 57 N GLY A 5 -8.538 9.265 7.444 1.00 0.00 N ATOM 58 CA GLY A 5 -8.640 9.814 6.116 1.00 0.00 C ATOM 59 C GLY A 5 -9.693 9.126 5.284 1.00 0.00 C ATOM 60 O GLY A 5 -10.278 8.136 5.713 1.00 0.00 O ATOM 0 H GLY A 5 -9.034 8.386 7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.872 10.877 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.675 9.729 5.617 1.00 0.00 H new ATOM 64 N ALA A 6 -9.933 9.649 4.091 1.00 0.00 N ATOM 65 CA ALA A 6 -10.919 9.070 3.194 1.00 0.00 C ATOM 66 C ALA A 6 -10.258 8.582 1.912 1.00 0.00 C ATOM 67 O ALA A 6 -9.585 9.345 1.218 1.00 0.00 O ATOM 68 CB ALA A 6 -12.008 10.085 2.882 1.00 0.00 C ATOM 0 H ALA A 6 -9.458 10.473 3.723 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.375 8.213 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.740 9.638 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.501 10.385 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.565 10.960 2.406 1.00 0.00 H new ATOM 74 N ALA A 7 -10.452 7.306 1.604 1.00 0.00 N ATOM 75 CA ALA A 7 -9.875 6.711 0.408 1.00 0.00 C ATOM 76 C ALA A 7 -10.764 5.599 -0.127 1.00 0.00 C ATOM 77 O ALA A 7 -11.549 5.007 0.614 1.00 0.00 O ATOM 78 CB ALA A 7 -8.482 6.177 0.704 1.00 0.00 C ATOM 0 H ALA A 7 -11.006 6.662 2.169 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.800 7.485 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.062 5.735 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.843 6.994 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.541 5.419 1.485 1.00 0.00 H new ATOM 84 N ILE A 8 -10.635 5.316 -1.416 1.00 0.00 N ATOM 85 CA ILE A 8 -11.424 4.272 -2.045 1.00 0.00 C ATOM 86 C ILE A 8 -10.726 2.920 -1.918 1.00 0.00 C ATOM 87 O ILE A 8 -9.577 2.760 -2.329 1.00 0.00 O ATOM 88 CB ILE A 8 -11.697 4.598 -3.536 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.148 4.269 -3.893 1.00 0.00 C ATOM 90 CG2 ILE A 8 -10.734 3.850 -4.445 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.301 3.272 -5.025 1.00 0.00 C ATOM 0 H ILE A 8 -9.991 5.796 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.382 4.221 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.535 5.665 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.647 3.875 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.661 5.191 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.948 4.097 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.710 4.139 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.852 2.777 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.360 3.095 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.834 3.670 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.820 2.333 -4.751 1.00 0.00 H new ATOM 103 N PHE A 9 -11.426 1.952 -1.346 1.00 0.00 N ATOM 104 CA PHE A 9 -10.875 0.615 -1.163 1.00 0.00 C ATOM 105 C PHE A 9 -11.688 -0.416 -1.934 1.00 0.00 C ATOM 106 O PHE A 9 -12.916 -0.343 -1.984 1.00 0.00 O ATOM 107 CB PHE A 9 -10.840 0.250 0.322 1.00 0.00 C ATOM 108 CG PHE A 9 -9.629 -0.546 0.716 1.00 0.00 C ATOM 109 CD1 PHE A 9 -9.591 -1.917 0.522 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.528 0.078 1.281 1.00 0.00 C ATOM 111 CE1 PHE A 9 -8.478 -2.652 0.884 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.412 -0.651 1.645 1.00 0.00 C ATOM 113 CZ PHE A 9 -7.387 -2.018 1.446 1.00 0.00 C ATOM 0 H PHE A 9 -12.379 2.066 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.856 0.613 -1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.871 1.165 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.736 -0.320 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.441 -2.418 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.542 1.146 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.461 -3.721 0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.560 -0.153 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.516 -2.590 1.729 1.00 0.00 H new ATOM 123 N GLU A 10 -10.995 -1.373 -2.543 1.00 0.00 N ATOM 124 CA GLU A 10 -11.655 -2.414 -3.320 1.00 0.00 C ATOM 125 C GLU A 10 -12.504 -1.799 -4.427 1.00 0.00 C ATOM 126 O GLU A 10 -13.479 -2.398 -4.882 1.00 0.00 O ATOM 127 CB GLU A 10 -12.529 -3.281 -2.412 1.00 0.00 C ATOM 128 CG GLU A 10 -11.752 -4.347 -1.656 1.00 0.00 C ATOM 129 CD GLU A 10 -12.540 -5.631 -1.484 1.00 0.00 C ATOM 130 OE1 GLU A 10 -12.711 -6.361 -2.483 1.00 0.00 O ATOM 131 OE2 GLU A 10 -12.986 -5.906 -0.351 1.00 0.00 O ATOM 0 H GLU A 10 -9.978 -1.448 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.888 -3.040 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.041 -2.640 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.298 -3.763 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.826 -4.562 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.474 -3.962 -0.675 1.00 0.00 H new ATOM 138 N LYS A 11 -12.127 -0.596 -4.856 1.00 0.00 N ATOM 139 CA LYS A 11 -12.850 0.103 -5.904 1.00 0.00 C ATOM 140 C LYS A 11 -14.266 0.424 -5.455 1.00 0.00 C ATOM 141 O LYS A 11 -15.226 0.284 -6.213 1.00 0.00 O ATOM 142 CB LYS A 11 -12.851 -0.729 -7.185 1.00 0.00 C ATOM 143 CG LYS A 11 -11.499 -1.362 -7.481 1.00 0.00 C ATOM 144 CD LYS A 11 -10.413 -0.310 -7.660 1.00 0.00 C ATOM 145 CE LYS A 11 -10.760 0.670 -8.770 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.339 1.933 -8.235 1.00 0.00 N ATOM 0 H LYS A 11 -11.322 -0.088 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.346 1.047 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.603 -1.513 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.141 -0.096 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.225 -2.033 -6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.571 -1.969 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.274 0.233 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.466 -0.799 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.863 0.897 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.470 0.206 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.044 2.731 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.377 1.866 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.001 2.086 -7.263 1.00 0.00 H new ATOM 160 N VAL A 12 -14.375 0.867 -4.209 1.00 0.00 N ATOM 161 CA VAL A 12 -15.652 1.229 -3.623 1.00 0.00 C ATOM 162 C VAL A 12 -15.467 2.392 -2.649 1.00 0.00 C ATOM 163 O VAL A 12 -14.903 2.222 -1.568 1.00 0.00 O ATOM 164 CB VAL A 12 -16.279 0.019 -2.901 1.00 0.00 C ATOM 165 CG1 VAL A 12 -17.279 0.456 -1.838 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.938 -0.913 -3.906 1.00 0.00 C ATOM 0 H VAL A 12 -13.580 0.984 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.328 1.539 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.477 -0.519 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -17.700 -0.424 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.774 1.075 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.079 1.030 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.376 -1.762 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.720 -0.375 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.191 -1.270 -4.615 1.00 0.00 H new ATOM 176 N SER A 13 -15.929 3.576 -3.054 1.00 0.00 N ATOM 177 CA SER A 13 -15.807 4.787 -2.241 1.00 0.00 C ATOM 178 C SER A 13 -15.995 4.503 -0.754 1.00 0.00 C ATOM 179 O SER A 13 -16.993 3.911 -0.344 1.00 0.00 O ATOM 180 CB SER A 13 -16.823 5.829 -2.704 1.00 0.00 C ATOM 181 OG SER A 13 -16.965 5.811 -4.114 1.00 0.00 O ATOM 0 H SER A 13 -16.396 3.722 -3.949 1.00 0.00 H new ATOM 0 HA SER A 13 -14.796 5.171 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.788 5.634 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.506 6.820 -2.380 1.00 0.00 H new ATOM 0 HG SER A 13 -17.622 6.486 -4.385 1.00 0.00 H new ATOM 187 N GLY A 14 -15.022 4.931 0.049 1.00 0.00 N ATOM 188 CA GLY A 14 -15.096 4.717 1.482 1.00 0.00 C ATOM 189 C GLY A 14 -14.186 5.641 2.266 1.00 0.00 C ATOM 190 O GLY A 14 -13.734 6.664 1.753 1.00 0.00 O ATOM 0 H GLY A 14 -14.186 5.421 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.124 4.862 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.833 3.683 1.704 1.00 0.00 H new ATOM 194 N ILE A 15 -13.925 5.277 3.519 1.00 0.00 N ATOM 195 CA ILE A 15 -13.073 6.073 4.391 1.00 0.00 C ATOM 196 C ILE A 15 -12.070 5.203 5.144 1.00 0.00 C ATOM 197 O ILE A 15 -12.338 4.036 5.426 1.00 0.00 O ATOM 198 CB ILE A 15 -13.904 6.869 5.407 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.060 7.596 4.714 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.013 7.855 6.141 1.00 0.00 C ATOM 201 CD1 ILE A 15 -14.625 8.495 3.577 1.00 0.00 C ATOM 0 H ILE A 15 -14.295 4.431 3.953 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.530 6.765 3.747 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.332 6.175 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.764 6.857 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.595 8.193 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.608 8.417 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.226 7.313 6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.565 8.543 5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.500 8.974 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.945 9.258 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.116 7.901 2.818 1.00 0.00 H new ATOM 213 N ILE A 16 -10.915 5.781 5.467 1.00 0.00 N ATOM 214 CA ILE A 16 -9.868 5.057 6.180 1.00 0.00 C ATOM 215 C ILE A 16 -9.667 5.599 7.594 1.00 0.00 C ATOM 216 O ILE A 16 -9.842 6.790 7.851 1.00 0.00 O ATOM 217 CB ILE A 16 -8.503 5.121 5.452 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.662 5.491 3.972 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.765 3.799 5.594 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.853 6.707 3.574 1.00 0.00 C ATOM 0 H ILE A 16 -10.682 6.749 5.246 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.211 4.023 6.219 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.915 5.908 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.359 4.643 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.715 5.678 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.807 3.860 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.595 3.589 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.363 3.000 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.008 6.917 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.172 7.566 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.795 6.515 3.754 1.00 0.00 H new ATOM 232 N ALA A 17 -9.277 4.707 8.496 1.00 0.00 N ATOM 233 CA ALA A 17 -9.017 5.061 9.885 1.00 0.00 C ATOM 234 C ALA A 17 -7.869 4.217 10.431 1.00 0.00 C ATOM 235 O ALA A 17 -7.852 2.999 10.258 1.00 0.00 O ATOM 236 CB ALA A 17 -10.270 4.867 10.727 1.00 0.00 C ATOM 0 H ALA A 17 -9.132 3.720 8.285 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.733 6.112 9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.058 5.136 11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.068 5.502 10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.582 3.824 10.680 1.00 0.00 H new ATOM 242 N ILE A 18 -6.905 4.862 11.082 1.00 0.00 N ATOM 243 CA ILE A 18 -5.760 4.154 11.632 1.00 0.00 C ATOM 244 C ILE A 18 -6.004 3.792 13.098 1.00 0.00 C ATOM 245 O ILE A 18 -6.328 4.654 13.915 1.00 0.00 O ATOM 246 CB ILE A 18 -4.472 5.006 11.491 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.547 4.415 10.423 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.745 5.133 12.818 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.590 5.163 9.106 1.00 0.00 C ATOM 0 H ILE A 18 -6.896 5.870 11.240 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.626 3.231 11.067 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.768 6.007 11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.524 4.416 10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.823 3.375 10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.847 5.736 12.685 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.399 5.612 13.547 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.467 4.142 13.177 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.911 4.690 8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.604 5.140 8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.286 6.197 9.265 1.00 0.00 H new ATOM 261 N ASN A 19 -5.853 2.511 13.420 1.00 0.00 N ATOM 262 CA ASN A 19 -6.060 2.033 14.776 1.00 0.00 C ATOM 263 C ASN A 19 -4.736 1.686 15.446 1.00 0.00 C ATOM 264 O ASN A 19 -4.200 0.594 15.255 1.00 0.00 O ATOM 265 CB ASN A 19 -6.981 0.812 14.774 1.00 0.00 C ATOM 266 CG ASN A 19 -7.861 0.750 16.007 1.00 0.00 C ATOM 267 OD1 ASN A 19 -8.495 1.737 16.381 1.00 0.00 O ATOM 268 ND2 ASN A 19 -7.905 -0.413 16.646 1.00 0.00 N ATOM 0 H ASN A 19 -5.587 1.785 12.755 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.531 2.835 15.345 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.609 0.836 13.883 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.378 -0.094 14.715 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.481 -0.514 17.482 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.363 -1.205 16.301 1.00 0.00 H new ATOM 275 N GLU A 20 -4.217 2.618 16.237 1.00 0.00 N ATOM 276 CA GLU A 20 -2.958 2.405 16.942 1.00 0.00 C ATOM 277 C GLU A 20 -3.214 1.973 18.382 1.00 0.00 C ATOM 278 O GLU A 20 -2.399 2.225 19.269 1.00 0.00 O ATOM 279 CB GLU A 20 -2.103 3.675 16.922 1.00 0.00 C ATOM 280 CG GLU A 20 -2.209 4.466 15.629 1.00 0.00 C ATOM 281 CD GLU A 20 -3.203 5.607 15.723 1.00 0.00 C ATOM 282 OE1 GLU A 20 -4.196 5.468 16.469 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.990 6.638 15.052 1.00 0.00 O ATOM 0 H GLU A 20 -4.647 3.527 16.406 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.416 1.611 16.428 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.400 4.314 17.753 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.060 3.402 17.086 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.228 4.864 15.370 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.505 3.797 14.821 1.00 0.00 H new ATOM 290 N ASP A 21 -4.348 1.313 18.606 1.00 0.00 N ATOM 291 CA ASP A 21 -4.702 0.838 19.936 1.00 0.00 C ATOM 292 C ASP A 21 -3.873 -0.387 20.289 1.00 0.00 C ATOM 293 O ASP A 21 -3.532 -0.611 21.451 1.00 0.00 O ATOM 294 CB ASP A 21 -6.193 0.502 20.004 1.00 0.00 C ATOM 295 CG ASP A 21 -6.737 0.568 21.418 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.171 1.322 22.237 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.729 -0.135 21.706 1.00 0.00 O ATOM 0 H ASP A 21 -5.035 1.097 17.883 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.491 1.628 20.656 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.748 1.195 19.372 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.356 -0.498 19.601 1.00 0.00 H new ATOM 302 N VAL A 22 -3.544 -1.172 19.270 1.00 0.00 N ATOM 303 CA VAL A 22 -2.745 -2.371 19.454 1.00 0.00 C ATOM 304 C VAL A 22 -1.301 -2.000 19.786 1.00 0.00 C ATOM 305 O VAL A 22 -0.907 -0.843 19.633 1.00 0.00 O ATOM 306 CB VAL A 22 -2.781 -3.257 18.190 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.133 -2.542 17.013 1.00 0.00 C ATOM 308 CG2 VAL A 22 -2.114 -4.599 18.446 1.00 0.00 C ATOM 0 H VAL A 22 -3.821 -0.996 18.304 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.169 -2.935 20.284 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.825 -3.446 17.939 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.169 -3.184 16.133 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.671 -1.616 16.809 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.095 -2.313 17.253 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.153 -5.204 17.540 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.074 -4.440 18.731 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.636 -5.117 19.251 1.00 0.00 H new ATOM 318 N SER A 23 -0.515 -2.973 20.246 1.00 0.00 N ATOM 319 CA SER A 23 0.882 -2.724 20.601 1.00 0.00 C ATOM 320 C SER A 23 1.573 -1.840 19.559 1.00 0.00 C ATOM 321 O SER A 23 2.035 -0.746 19.881 1.00 0.00 O ATOM 322 CB SER A 23 1.640 -4.045 20.767 1.00 0.00 C ATOM 323 OG SER A 23 2.037 -4.240 22.113 1.00 0.00 O ATOM 0 H SER A 23 -0.820 -3.937 20.381 1.00 0.00 H new ATOM 0 HA SER A 23 0.893 -2.192 21.553 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.008 -4.873 20.448 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.518 -4.047 20.122 1.00 0.00 H new ATOM 0 HG SER A 23 2.517 -5.091 22.192 1.00 0.00 H new ATOM 329 N PRO A 24 1.651 -2.291 18.291 1.00 0.00 N ATOM 330 CA PRO A 24 2.277 -1.533 17.221 1.00 0.00 C ATOM 331 C PRO A 24 1.312 -0.525 16.592 1.00 0.00 C ATOM 332 O PRO A 24 1.346 0.662 16.917 1.00 0.00 O ATOM 333 CB PRO A 24 2.690 -2.617 16.205 1.00 0.00 C ATOM 334 CG PRO A 24 2.183 -3.915 16.757 1.00 0.00 C ATOM 335 CD PRO A 24 1.146 -3.559 17.780 1.00 0.00 C ATOM 0 HA PRO A 24 3.117 -0.934 17.574 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.260 -2.416 15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.772 -2.642 16.080 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.755 -4.533 15.968 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.993 -4.489 17.207 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.155 -3.456 17.338 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.069 -4.313 18.563 1.00 0.00 H new ATOM 343 N ALA A 25 0.452 -1.003 15.688 1.00 0.00 N ATOM 344 CA ALA A 25 -0.517 -0.150 15.014 1.00 0.00 C ATOM 345 C ALA A 25 -1.207 -0.903 13.881 1.00 0.00 C ATOM 346 O ALA A 25 -0.744 -1.963 13.459 1.00 0.00 O ATOM 347 CB ALA A 25 0.176 1.083 14.476 1.00 0.00 C ATOM 0 H ALA A 25 0.412 -1.983 15.408 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.278 0.150 15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.552 1.719 13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.630 1.634 15.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.950 0.786 13.768 1.00 0.00 H new ATOM 353 N GLU A 26 -2.312 -0.352 13.386 1.00 0.00 N ATOM 354 CA GLU A 26 -3.050 -0.979 12.300 1.00 0.00 C ATOM 355 C GLU A 26 -3.823 0.051 11.480 1.00 0.00 C ATOM 356 O GLU A 26 -4.119 1.147 11.954 1.00 0.00 O ATOM 357 CB GLU A 26 -4.018 -2.031 12.847 1.00 0.00 C ATOM 358 CG GLU A 26 -3.422 -2.899 13.943 1.00 0.00 C ATOM 359 CD GLU A 26 -4.358 -4.008 14.382 1.00 0.00 C ATOM 360 OE1 GLU A 26 -5.564 -3.734 14.553 1.00 0.00 O ATOM 361 OE2 GLU A 26 -3.884 -5.151 14.555 1.00 0.00 O ATOM 0 H GLU A 26 -2.713 0.524 13.720 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.322 -1.461 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.904 -1.529 13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.347 -2.670 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.488 -3.336 13.588 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.176 -2.275 14.802 1.00 0.00 H new ATOM 368 N LEU A 27 -4.160 -0.326 10.250 1.00 0.00 N ATOM 369 CA LEU A 27 -4.914 0.533 9.356 1.00 0.00 C ATOM 370 C LEU A 27 -6.279 -0.093 9.078 1.00 0.00 C ATOM 371 O LEU A 27 -6.362 -1.215 8.579 1.00 0.00 O ATOM 372 CB LEU A 27 -4.146 0.738 8.046 1.00 0.00 C ATOM 373 CG LEU A 27 -4.944 1.396 6.916 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.069 2.364 6.136 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.527 0.337 5.991 1.00 0.00 C ATOM 0 H LEU A 27 -3.917 -1.233 9.851 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.056 1.505 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.267 1.349 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.787 -0.231 7.699 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.766 1.959 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.654 2.821 5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.699 3.141 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.225 1.825 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.091 0.821 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.719 -0.252 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.189 -0.317 6.558 1.00 0.00 H new ATOM 387 N THR A 28 -7.346 0.625 9.411 1.00 0.00 N ATOM 388 CA THR A 28 -8.698 0.116 9.202 1.00 0.00 C ATOM 389 C THR A 28 -9.486 1.014 8.257 1.00 0.00 C ATOM 390 O THR A 28 -9.452 2.235 8.375 1.00 0.00 O ATOM 391 CB THR A 28 -9.432 -0.001 10.539 1.00 0.00 C ATOM 392 OG1 THR A 28 -8.700 -0.810 11.443 1.00 0.00 O ATOM 393 CG2 THR A 28 -10.818 -0.594 10.411 1.00 0.00 C ATOM 0 H THR A 28 -7.303 1.556 9.825 1.00 0.00 H new ATOM 0 HA THR A 28 -8.617 -0.871 8.747 1.00 0.00 H new ATOM 0 HB THR A 28 -9.525 1.020 10.908 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.184 -0.872 12.293 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.283 -0.649 11.395 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.424 0.034 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.747 -1.596 9.987 1.00 0.00 H new ATOM 401 N TRP A 29 -10.197 0.398 7.320 1.00 0.00 N ATOM 402 CA TRP A 29 -10.996 1.143 6.353 1.00 0.00 C ATOM 403 C TRP A 29 -12.378 0.522 6.180 1.00 0.00 C ATOM 404 O TRP A 29 -12.524 -0.698 6.168 1.00 0.00 O ATOM 405 CB TRP A 29 -10.293 1.206 4.992 1.00 0.00 C ATOM 406 CG TRP A 29 -11.174 1.744 3.900 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.131 2.993 3.351 1.00 0.00 C ATOM 408 CD2 TRP A 29 -12.238 1.049 3.236 1.00 0.00 C ATOM 409 NE1 TRP A 29 -12.111 3.123 2.396 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.796 1.939 2.298 1.00 0.00 C ATOM 411 CE3 TRP A 29 -12.775 -0.239 3.340 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -13.859 1.581 1.472 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -13.831 -0.589 2.520 1.00 0.00 C ATOM 414 CH2 TRP A 29 -14.362 0.317 1.596 1.00 0.00 C ATOM 0 H TRP A 29 -10.237 -0.615 7.209 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.111 2.154 6.743 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.405 1.833 5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.953 0.207 4.718 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.429 3.766 3.627 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.298 3.963 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -12.371 -0.947 4.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -14.271 2.279 0.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.254 -1.580 2.594 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -15.186 0.011 0.968 1.00 0.00 H new ATOM 425 N ARG A 30 -13.383 1.375 6.025 1.00 0.00 N ATOM 426 CA ARG A 30 -14.754 0.911 5.821 1.00 0.00 C ATOM 427 C ARG A 30 -15.413 1.675 4.685 1.00 0.00 C ATOM 428 O ARG A 30 -15.034 2.806 4.384 1.00 0.00 O ATOM 429 CB ARG A 30 -15.598 1.086 7.080 1.00 0.00 C ATOM 430 CG ARG A 30 -15.439 -0.038 8.078 1.00 0.00 C ATOM 431 CD ARG A 30 -16.337 0.159 9.289 1.00 0.00 C ATOM 432 NE ARG A 30 -15.683 -0.254 10.529 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.754 0.467 11.152 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.367 1.636 10.657 1.00 0.00 N ATOM 435 NH2 ARG A 30 -14.210 0.018 12.275 1.00 0.00 N ATOM 0 H ARG A 30 -13.277 2.389 6.036 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.698 -0.149 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.329 2.027 7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.648 1.162 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.677 -0.988 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.399 -0.095 8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.622 1.208 9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.256 -0.413 9.156 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.954 -1.147 10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.782 1.987 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.654 2.183 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.504 -0.879 12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.498 0.570 12.753 1.00 0.00 H new ATOM 449 N SER A 31 -16.416 1.063 4.070 1.00 0.00 N ATOM 450 CA SER A 31 -17.136 1.715 2.982 1.00 0.00 C ATOM 451 C SER A 31 -17.806 2.990 3.491 1.00 0.00 C ATOM 452 O SER A 31 -18.082 3.116 4.684 1.00 0.00 O ATOM 453 CB SER A 31 -18.185 0.769 2.393 1.00 0.00 C ATOM 454 OG SER A 31 -17.620 -0.060 1.392 1.00 0.00 O ATOM 0 H SER A 31 -16.748 0.127 4.302 1.00 0.00 H new ATOM 0 HA SER A 31 -16.424 1.975 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.608 0.151 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.005 1.349 1.969 1.00 0.00 H new ATOM 0 HG SER A 31 -18.310 -0.656 1.033 1.00 0.00 H new ATOM 460 N THR A 32 -18.075 3.931 2.589 1.00 0.00 N ATOM 461 CA THR A 32 -18.722 5.182 2.973 1.00 0.00 C ATOM 462 C THR A 32 -20.088 4.895 3.569 1.00 0.00 C ATOM 463 O THR A 32 -20.587 5.639 4.414 1.00 0.00 O ATOM 464 CB THR A 32 -18.864 6.115 1.778 1.00 0.00 C ATOM 465 OG1 THR A 32 -17.858 5.864 0.811 1.00 0.00 O ATOM 466 CG2 THR A 32 -18.794 7.581 2.154 1.00 0.00 C ATOM 0 H THR A 32 -17.857 3.852 1.596 1.00 0.00 H new ATOM 0 HA THR A 32 -18.097 5.675 3.718 1.00 0.00 H new ATOM 0 HB THR A 32 -19.853 5.908 1.369 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.127 5.108 0.248 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.902 8.192 1.258 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.597 7.816 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.833 7.791 2.623 1.00 0.00 H new ATOM 474 N ASP A 33 -20.677 3.798 3.122 1.00 0.00 N ATOM 475 CA ASP A 33 -21.979 3.375 3.598 1.00 0.00 C ATOM 476 C ASP A 33 -22.370 2.054 2.949 1.00 0.00 C ATOM 477 O ASP A 33 -23.494 1.890 2.476 1.00 0.00 O ATOM 478 CB ASP A 33 -23.034 4.444 3.305 1.00 0.00 C ATOM 479 CG ASP A 33 -24.101 4.514 4.379 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.781 4.233 5.553 1.00 0.00 O ATOM 481 OD2 ASP A 33 -25.258 4.848 4.046 1.00 0.00 O ATOM 0 H ASP A 33 -20.266 3.180 2.422 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.924 3.235 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -22.548 5.415 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -23.503 4.233 2.344 1.00 0.00 H new ATOM 486 N GLY A 34 -21.429 1.114 2.927 1.00 0.00 N ATOM 487 CA GLY A 34 -21.693 -0.180 2.328 1.00 0.00 C ATOM 488 C GLY A 34 -21.739 -1.294 3.352 1.00 0.00 C ATOM 489 O GLY A 34 -21.578 -2.466 3.009 1.00 0.00 O ATOM 0 H GLY A 34 -20.491 1.226 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -22.642 -0.143 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.921 -0.400 1.591 1.00 0.00 H new ATOM 493 N ASP A 35 -21.957 -0.928 4.613 1.00 0.00 N ATOM 494 CA ASP A 35 -22.023 -1.899 5.701 1.00 0.00 C ATOM 495 C ASP A 35 -20.919 -2.943 5.578 1.00 0.00 C ATOM 496 O ASP A 35 -21.125 -4.119 5.877 1.00 0.00 O ATOM 497 CB ASP A 35 -23.393 -2.581 5.727 1.00 0.00 C ATOM 498 CG ASP A 35 -23.659 -3.401 4.480 1.00 0.00 C ATOM 499 OD1 ASP A 35 -23.163 -4.545 4.404 1.00 0.00 O ATOM 500 OD2 ASP A 35 -24.363 -2.899 3.579 1.00 0.00 O ATOM 0 H ASP A 35 -22.092 0.039 4.907 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.878 -1.360 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.457 -3.227 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -24.170 -1.824 5.832 1.00 0.00 H new ATOM 505 N LYS A 36 -19.744 -2.503 5.140 1.00 0.00 N ATOM 506 CA LYS A 36 -18.610 -3.392 4.984 1.00 0.00 C ATOM 507 C LYS A 36 -17.387 -2.817 5.689 1.00 0.00 C ATOM 508 O LYS A 36 -17.407 -1.676 6.150 1.00 0.00 O ATOM 509 CB LYS A 36 -18.330 -3.650 3.495 1.00 0.00 C ATOM 510 CG LYS A 36 -17.225 -2.790 2.899 1.00 0.00 C ATOM 511 CD LYS A 36 -15.879 -3.497 2.957 1.00 0.00 C ATOM 512 CE LYS A 36 -15.246 -3.609 1.578 1.00 0.00 C ATOM 513 NZ LYS A 36 -13.815 -4.013 1.655 1.00 0.00 N ATOM 0 H LYS A 36 -19.557 -1.533 4.887 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.845 -4.350 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.065 -4.699 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.248 -3.481 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.467 -2.550 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.165 -1.846 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.209 -2.952 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.008 -4.493 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.797 -4.338 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.326 -2.652 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.604 -4.691 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.211 -3.173 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.629 -4.457 2.577 1.00 0.00 H new ATOM 527 N VAL A 37 -16.327 -3.609 5.778 1.00 0.00 N ATOM 528 CA VAL A 37 -15.111 -3.167 6.436 1.00 0.00 C ATOM 529 C VAL A 37 -13.880 -3.857 5.860 1.00 0.00 C ATOM 530 O VAL A 37 -13.962 -4.956 5.313 1.00 0.00 O ATOM 531 CB VAL A 37 -15.152 -3.450 7.953 1.00 0.00 C ATOM 532 CG1 VAL A 37 -14.139 -2.589 8.693 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.554 -3.246 8.515 1.00 0.00 C ATOM 0 H VAL A 37 -16.287 -4.557 5.403 1.00 0.00 H new ATOM 0 HA VAL A 37 -15.046 -2.093 6.263 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.883 -4.495 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.187 -2.807 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.137 -2.807 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.366 -1.536 8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.551 -3.453 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -16.868 -2.216 8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -17.248 -3.923 8.017 1.00 0.00 H new ATOM 543 N HIS A 38 -12.737 -3.204 6.016 1.00 0.00 N ATOM 544 CA HIS A 38 -11.466 -3.735 5.549 1.00 0.00 C ATOM 545 C HIS A 38 -10.348 -3.233 6.454 1.00 0.00 C ATOM 546 O HIS A 38 -10.090 -2.033 6.524 1.00 0.00 O ATOM 547 CB HIS A 38 -11.205 -3.312 4.102 1.00 0.00 C ATOM 548 CG HIS A 38 -10.530 -4.368 3.283 1.00 0.00 C ATOM 549 ND1 HIS A 38 -10.742 -4.520 1.929 1.00 0.00 N ATOM 550 CD2 HIS A 38 -9.642 -5.329 3.633 1.00 0.00 C ATOM 551 CE1 HIS A 38 -10.014 -5.529 1.482 1.00 0.00 C ATOM 552 NE2 HIS A 38 -9.337 -6.035 2.496 1.00 0.00 N ATOM 0 H HIS A 38 -12.666 -2.293 6.469 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.500 -4.824 5.583 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.153 -3.050 3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -10.589 -2.413 4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.247 -5.507 4.622 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.979 -5.880 0.461 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.692 -6.823 2.443 1.00 0.00 H new ATOM 561 N THR A 39 -9.699 -4.151 7.161 1.00 0.00 N ATOM 562 CA THR A 39 -8.631 -3.786 8.074 1.00 0.00 C ATOM 563 C THR A 39 -7.318 -4.463 7.704 1.00 0.00 C ATOM 564 O THR A 39 -7.291 -5.637 7.337 1.00 0.00 O ATOM 565 CB THR A 39 -9.015 -4.145 9.510 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.379 -3.848 9.754 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.193 -3.414 10.550 1.00 0.00 C ATOM 0 H THR A 39 -9.896 -5.151 7.117 1.00 0.00 H new ATOM 0 HA THR A 39 -8.487 -2.708 7.996 1.00 0.00 H new ATOM 0 HB THR A 39 -8.821 -5.214 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.606 -4.086 10.677 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.517 -3.715 11.547 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.139 -3.661 10.421 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.330 -2.339 10.433 1.00 0.00 H new ATOM 575 N VAL A 40 -6.230 -3.710 7.812 1.00 0.00 N ATOM 576 CA VAL A 40 -4.906 -4.224 7.501 1.00 0.00 C ATOM 577 C VAL A 40 -3.922 -3.877 8.607 1.00 0.00 C ATOM 578 O VAL A 40 -3.974 -2.790 9.184 1.00 0.00 O ATOM 579 CB VAL A 40 -4.387 -3.679 6.155 1.00 0.00 C ATOM 580 CG1 VAL A 40 -2.865 -3.699 6.097 1.00 0.00 C ATOM 581 CG2 VAL A 40 -4.970 -4.487 5.012 1.00 0.00 C ATOM 0 H VAL A 40 -6.242 -2.736 8.115 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.991 -5.308 7.422 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.708 -2.641 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.532 -3.309 5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.462 -3.080 6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.510 -4.723 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.599 -4.097 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.673 -5.531 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.057 -4.415 5.033 1.00 0.00 H new ATOM 591 N VAL A 41 -3.030 -4.809 8.899 1.00 0.00 N ATOM 592 CA VAL A 41 -2.034 -4.604 9.940 1.00 0.00 C ATOM 593 C VAL A 41 -0.620 -4.809 9.407 1.00 0.00 C ATOM 594 O VAL A 41 -0.340 -5.799 8.731 1.00 0.00 O ATOM 595 CB VAL A 41 -2.262 -5.553 11.131 1.00 0.00 C ATOM 596 CG1 VAL A 41 -1.387 -5.155 12.310 1.00 0.00 C ATOM 597 CG2 VAL A 41 -3.731 -5.570 11.526 1.00 0.00 C ATOM 0 H VAL A 41 -2.974 -5.714 8.431 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.144 -3.573 10.277 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.980 -6.561 10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.563 -5.838 13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.338 -5.203 12.017 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.632 -4.138 12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.873 -6.246 12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.043 -4.565 11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.331 -5.911 10.682 1.00 0.00 H new ATOM 607 N LEU A 42 0.269 -3.869 9.724 1.00 0.00 N ATOM 608 CA LEU A 42 1.660 -3.945 9.285 1.00 0.00 C ATOM 609 C LEU A 42 2.265 -5.302 9.629 1.00 0.00 C ATOM 610 O LEU A 42 3.181 -5.780 8.960 1.00 0.00 O ATOM 611 CB LEU A 42 2.477 -2.835 9.936 1.00 0.00 C ATOM 612 CG LEU A 42 2.444 -1.493 9.197 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.160 -0.421 10.002 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.065 -1.625 7.812 1.00 0.00 C ATOM 0 H LEU A 42 0.050 -3.045 10.284 1.00 0.00 H new ATOM 0 HA LEU A 42 1.682 -3.821 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.112 -2.683 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.513 -3.165 10.015 1.00 0.00 H new ATOM 0 HG LEU A 42 1.402 -1.196 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.126 0.524 9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.670 -0.304 10.969 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.199 -0.714 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.031 -0.661 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.101 -1.949 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.507 -2.360 7.232 1.00 0.00 H new ATOM 626 N SER A 43 1.736 -5.914 10.683 1.00 0.00 N ATOM 627 CA SER A 43 2.203 -7.220 11.143 1.00 0.00 C ATOM 628 C SER A 43 2.241 -8.245 10.006 1.00 0.00 C ATOM 629 O SER A 43 2.933 -9.258 10.103 1.00 0.00 O ATOM 630 CB SER A 43 1.306 -7.733 12.271 1.00 0.00 C ATOM 631 OG SER A 43 1.389 -6.894 13.410 1.00 0.00 O ATOM 0 H SER A 43 0.976 -5.523 11.240 1.00 0.00 H new ATOM 0 HA SER A 43 3.220 -7.092 11.512 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.273 -7.781 11.925 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.600 -8.748 12.541 1.00 0.00 H new ATOM 0 HG SER A 43 0.806 -7.242 14.116 1.00 0.00 H new ATOM 637 N THR A 44 1.512 -7.975 8.924 1.00 0.00 N ATOM 638 CA THR A 44 1.492 -8.874 7.776 1.00 0.00 C ATOM 639 C THR A 44 2.064 -8.148 6.573 1.00 0.00 C ATOM 640 O THR A 44 2.655 -8.747 5.675 1.00 0.00 O ATOM 641 CB THR A 44 0.063 -9.345 7.489 1.00 0.00 C ATOM 642 OG1 THR A 44 0.066 -10.439 6.590 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.824 -8.268 6.899 1.00 0.00 C ATOM 0 H THR A 44 0.930 -7.144 8.820 1.00 0.00 H new ATOM 0 HA THR A 44 2.098 -9.754 7.992 1.00 0.00 H new ATOM 0 HB THR A 44 -0.342 -9.630 8.460 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.856 -10.726 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.820 -8.674 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.891 -7.431 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.400 -7.924 5.956 1.00 0.00 H new ATOM 651 N ILE A 45 1.880 -6.840 6.591 1.00 0.00 N ATOM 652 CA ILE A 45 2.352 -5.962 5.561 1.00 0.00 C ATOM 653 C ILE A 45 3.488 -5.102 6.110 1.00 0.00 C ATOM 654 O ILE A 45 3.245 -4.118 6.803 1.00 0.00 O ATOM 655 CB ILE A 45 1.205 -5.065 5.079 1.00 0.00 C ATOM 656 CG1 ILE A 45 0.372 -4.540 6.251 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.316 -5.815 4.102 1.00 0.00 C ATOM 658 CD1 ILE A 45 0.245 -3.033 6.267 1.00 0.00 C ATOM 0 H ILE A 45 1.387 -6.358 7.343 1.00 0.00 H new ATOM 0 HA ILE A 45 2.719 -6.551 4.720 1.00 0.00 H new ATOM 0 HB ILE A 45 1.649 -4.209 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.624 -4.981 6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.825 -4.869 7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.492 -5.163 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.906 -6.128 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.104 -6.693 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.357 -2.728 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.236 -2.585 6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.235 -2.699 5.347 1.00 0.00 H new ATOM 670 N ASP A 46 4.729 -5.497 5.839 1.00 0.00 N ATOM 671 CA ASP A 46 5.881 -4.767 6.363 1.00 0.00 C ATOM 672 C ASP A 46 6.372 -3.667 5.431 1.00 0.00 C ATOM 673 O ASP A 46 7.565 -3.365 5.396 1.00 0.00 O ATOM 674 CB ASP A 46 7.026 -5.732 6.676 1.00 0.00 C ATOM 675 CG ASP A 46 7.823 -5.308 7.893 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.304 -5.447 9.021 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.967 -4.837 7.720 1.00 0.00 O ATOM 0 H ASP A 46 4.962 -6.308 5.267 1.00 0.00 H new ATOM 0 HA ASP A 46 5.544 -4.279 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.621 -6.731 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.690 -5.795 5.814 1.00 0.00 H new ATOM 682 N LYS A 47 5.459 -3.049 4.700 1.00 0.00 N ATOM 683 CA LYS A 47 5.834 -1.964 3.802 1.00 0.00 C ATOM 684 C LYS A 47 4.619 -1.204 3.280 1.00 0.00 C ATOM 685 O LYS A 47 3.522 -1.750 3.167 1.00 0.00 O ATOM 686 CB LYS A 47 6.666 -2.493 2.636 1.00 0.00 C ATOM 687 CG LYS A 47 6.931 -1.452 1.565 1.00 0.00 C ATOM 688 CD LYS A 47 7.768 -2.016 0.429 1.00 0.00 C ATOM 689 CE LYS A 47 9.241 -2.075 0.799 1.00 0.00 C ATOM 690 NZ LYS A 47 10.118 -2.057 -0.404 1.00 0.00 N ATOM 0 H LYS A 47 4.464 -3.275 4.708 1.00 0.00 H new ATOM 0 HA LYS A 47 6.436 -1.263 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.618 -2.863 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.151 -3.342 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.983 -1.085 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.445 -0.598 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.415 -3.016 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.639 -1.399 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.488 -1.229 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.434 -2.980 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.114 -2.099 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.901 -2.878 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.953 -1.182 -0.941 1.00 0.00 H new ATOM 704 N LEU A 48 4.844 0.066 2.952 1.00 0.00 N ATOM 705 CA LEU A 48 3.801 0.933 2.423 1.00 0.00 C ATOM 706 C LEU A 48 4.337 1.734 1.234 1.00 0.00 C ATOM 707 O LEU A 48 5.368 2.398 1.333 1.00 0.00 O ATOM 708 CB LEU A 48 3.262 1.870 3.519 1.00 0.00 C ATOM 709 CG LEU A 48 4.195 2.998 3.984 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.596 2.476 4.256 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.224 4.133 2.968 1.00 0.00 C ATOM 0 H LEU A 48 5.753 0.520 3.046 1.00 0.00 H new ATOM 0 HA LEU A 48 2.973 0.313 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.338 2.321 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.002 1.264 4.387 1.00 0.00 H new ATOM 0 HG LEU A 48 3.800 3.392 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.233 3.298 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.556 1.715 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.005 2.040 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.892 4.919 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.582 3.755 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.219 4.538 2.846 1.00 0.00 H new ATOM 723 N GLN A 49 3.642 1.654 0.105 1.00 0.00 N ATOM 724 CA GLN A 49 4.055 2.362 -1.104 1.00 0.00 C ATOM 725 C GLN A 49 3.110 3.524 -1.400 1.00 0.00 C ATOM 726 O GLN A 49 1.909 3.327 -1.585 1.00 0.00 O ATOM 727 CB GLN A 49 4.088 1.400 -2.294 1.00 0.00 C ATOM 728 CG GLN A 49 5.342 1.528 -3.143 1.00 0.00 C ATOM 729 CD GLN A 49 6.055 0.203 -3.338 1.00 0.00 C ATOM 730 OE1 GLN A 49 7.153 -0.006 -2.822 1.00 0.00 O ATOM 731 NE2 GLN A 49 5.431 -0.700 -4.085 1.00 0.00 N ATOM 0 H GLN A 49 2.788 1.105 0.000 1.00 0.00 H new ATOM 0 HA GLN A 49 5.056 2.762 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.011 0.377 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.215 1.580 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.076 1.940 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.023 2.237 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.522 -0.484 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.861 -1.610 -4.251 1.00 0.00 H new ATOM 740 N ALA A 50 3.659 4.733 -1.444 1.00 0.00 N ATOM 741 CA ALA A 50 2.863 5.924 -1.717 1.00 0.00 C ATOM 742 C ALA A 50 3.407 6.680 -2.924 1.00 0.00 C ATOM 743 O ALA A 50 4.536 6.448 -3.357 1.00 0.00 O ATOM 744 CB ALA A 50 2.832 6.829 -0.495 1.00 0.00 C ATOM 0 H ALA A 50 4.652 4.914 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 50 1.845 5.608 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.234 7.714 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.392 6.291 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.848 7.131 -0.240 1.00 0.00 H new ATOM 750 N THR A 51 2.598 7.585 -3.464 1.00 0.00 N ATOM 751 CA THR A 51 3.000 8.375 -4.623 1.00 0.00 C ATOM 752 C THR A 51 3.888 9.545 -4.203 1.00 0.00 C ATOM 753 O THR A 51 3.894 9.944 -3.039 1.00 0.00 O ATOM 754 CB THR A 51 1.767 8.893 -5.369 1.00 0.00 C ATOM 755 OG1 THR A 51 0.581 8.593 -4.654 1.00 0.00 O ATOM 756 CG2 THR A 51 1.623 8.313 -6.759 1.00 0.00 C ATOM 0 H THR A 51 1.661 7.790 -3.118 1.00 0.00 H new ATOM 0 HA THR A 51 3.572 7.730 -5.290 1.00 0.00 H new ATOM 0 HB THR A 51 1.914 9.970 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.453 7.622 -4.625 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.730 8.721 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.499 8.571 -7.354 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.536 7.228 -6.693 1.00 0.00 H new ATOM 764 N PRO A 52 4.654 10.111 -5.153 1.00 0.00 N ATOM 765 CA PRO A 52 5.548 11.239 -4.876 1.00 0.00 C ATOM 766 C PRO A 52 4.785 12.532 -4.612 1.00 0.00 C ATOM 767 O PRO A 52 3.606 12.649 -4.947 1.00 0.00 O ATOM 768 CB PRO A 52 6.375 11.359 -6.158 1.00 0.00 C ATOM 769 CG PRO A 52 5.505 10.789 -7.224 1.00 0.00 C ATOM 770 CD PRO A 52 4.707 9.696 -6.567 1.00 0.00 C ATOM 0 HA PRO A 52 6.146 11.074 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.631 12.397 -6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.313 10.810 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.850 11.553 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.102 10.396 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.710 9.612 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.187 8.724 -6.682 1.00 0.00 H new ATOM 778 N ALA A 53 5.464 13.502 -4.009 1.00 0.00 N ATOM 779 CA ALA A 53 4.850 14.787 -3.699 1.00 0.00 C ATOM 780 C ALA A 53 4.486 15.543 -4.972 1.00 0.00 C ATOM 781 O ALA A 53 3.519 16.305 -4.999 1.00 0.00 O ATOM 782 CB ALA A 53 5.782 15.623 -2.835 1.00 0.00 C ATOM 0 H ALA A 53 6.440 13.422 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 53 3.931 14.598 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.310 16.580 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.988 15.094 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.716 15.795 -3.369 1.00 0.00 H new ATOM 788 N SER A 54 5.266 15.328 -6.026 1.00 0.00 N ATOM 789 CA SER A 54 5.025 15.990 -7.304 1.00 0.00 C ATOM 790 C SER A 54 3.789 15.421 -7.992 1.00 0.00 C ATOM 791 O SER A 54 3.160 16.089 -8.813 1.00 0.00 O ATOM 792 CB SER A 54 6.244 15.845 -8.216 1.00 0.00 C ATOM 793 OG SER A 54 6.729 14.514 -8.213 1.00 0.00 O ATOM 0 H SER A 54 6.070 14.701 -6.021 1.00 0.00 H new ATOM 0 HA SER A 54 4.851 17.048 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.978 16.136 -9.232 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.031 16.523 -7.886 1.00 0.00 H new ATOM 0 HG SER A 54 7.507 14.448 -8.805 1.00 0.00 H new ATOM 799 N SER A 55 3.447 14.185 -7.653 1.00 0.00 N ATOM 800 CA SER A 55 2.287 13.524 -8.237 1.00 0.00 C ATOM 801 C SER A 55 0.999 14.239 -7.844 1.00 0.00 C ATOM 802 O SER A 55 0.641 14.294 -6.668 1.00 0.00 O ATOM 803 CB SER A 55 2.228 12.061 -7.791 1.00 0.00 C ATOM 804 OG SER A 55 0.958 11.495 -8.066 1.00 0.00 O ATOM 0 H SER A 55 3.957 13.619 -6.975 1.00 0.00 H new ATOM 0 HA SER A 55 2.387 13.562 -9.322 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.003 11.490 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.436 11.994 -6.723 1.00 0.00 H new ATOM 0 HG SER A 55 0.689 10.918 -7.321 1.00 0.00 H new ATOM 810 N GLU A 56 0.306 14.787 -8.837 1.00 0.00 N ATOM 811 CA GLU A 56 -0.943 15.499 -8.596 1.00 0.00 C ATOM 812 C GLU A 56 -1.974 14.585 -7.941 1.00 0.00 C ATOM 813 O GLU A 56 -2.807 15.034 -7.154 1.00 0.00 O ATOM 814 CB GLU A 56 -1.499 16.056 -9.908 1.00 0.00 C ATOM 815 CG GLU A 56 -0.494 16.886 -10.690 1.00 0.00 C ATOM 816 CD GLU A 56 -0.565 16.631 -12.183 1.00 0.00 C ATOM 817 OE1 GLU A 56 -1.686 16.631 -12.733 1.00 0.00 O ATOM 818 OE2 GLU A 56 0.501 16.432 -12.802 1.00 0.00 O ATOM 0 H GLU A 56 0.589 14.751 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.734 16.326 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.837 15.228 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.374 16.669 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.673 17.944 -10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.512 16.663 -10.334 1.00 0.00 H new ATOM 825 N LYS A 57 -1.912 13.299 -8.273 1.00 0.00 N ATOM 826 CA LYS A 57 -2.841 12.321 -7.718 1.00 0.00 C ATOM 827 C LYS A 57 -2.700 12.236 -6.200 1.00 0.00 C ATOM 828 O LYS A 57 -2.111 13.116 -5.572 1.00 0.00 O ATOM 829 CB LYS A 57 -2.602 10.947 -8.349 1.00 0.00 C ATOM 830 CG LYS A 57 -3.881 10.246 -8.779 1.00 0.00 C ATOM 831 CD LYS A 57 -3.606 9.164 -9.812 1.00 0.00 C ATOM 832 CE LYS A 57 -3.707 7.774 -9.205 1.00 0.00 C ATOM 833 NZ LYS A 57 -3.503 6.707 -10.223 1.00 0.00 N ATOM 0 H LYS A 57 -1.229 12.910 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.856 12.645 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.951 11.062 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.073 10.315 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.365 9.804 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.576 10.977 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.316 9.256 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.611 9.307 -10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.964 7.668 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.686 7.651 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.630 5.775 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.195 6.822 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.541 6.777 -10.611 1.00 0.00 H new ATOM 847 N MET A 58 -3.245 11.173 -5.616 1.00 0.00 N ATOM 848 CA MET A 58 -3.181 10.975 -4.174 1.00 0.00 C ATOM 849 C MET A 58 -3.673 9.582 -3.796 1.00 0.00 C ATOM 850 O MET A 58 -4.866 9.377 -3.575 1.00 0.00 O ATOM 851 CB MET A 58 -4.020 12.035 -3.457 1.00 0.00 C ATOM 852 CG MET A 58 -5.404 12.226 -4.060 1.00 0.00 C ATOM 853 SD MET A 58 -5.534 13.737 -5.037 1.00 0.00 S ATOM 854 CE MET A 58 -5.127 14.972 -3.806 1.00 0.00 C ATOM 0 H MET A 58 -3.736 10.435 -6.121 1.00 0.00 H new ATOM 0 HA MET A 58 -2.141 11.072 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.125 11.756 -2.409 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.488 12.986 -3.482 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.643 11.369 -4.690 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.144 12.250 -3.260 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.427 15.692 -4.230 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.035 15.489 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.671 14.488 -2.942 1.00 0.00 H new ATOM 864 N MET A 59 -2.752 8.626 -3.728 1.00 0.00 N ATOM 865 CA MET A 59 -3.108 7.256 -3.379 1.00 0.00 C ATOM 866 C MET A 59 -1.877 6.443 -2.980 1.00 0.00 C ATOM 867 O MET A 59 -0.767 6.719 -3.434 1.00 0.00 O ATOM 868 CB MET A 59 -3.837 6.593 -4.548 1.00 0.00 C ATOM 869 CG MET A 59 -3.217 6.874 -5.902 1.00 0.00 C ATOM 870 SD MET A 59 -3.159 5.419 -6.967 1.00 0.00 S ATOM 871 CE MET A 59 -1.601 5.677 -7.813 1.00 0.00 C ATOM 0 H MET A 59 -1.759 8.774 -3.909 1.00 0.00 H new ATOM 0 HA MET A 59 -3.773 7.286 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 59 -3.857 5.515 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.873 6.933 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.786 7.659 -6.400 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.205 7.254 -5.760 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.770 5.691 -8.890 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.170 6.628 -7.500 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.914 4.868 -7.564 1.00 0.00 H new ATOM 881 N LEU A 60 -2.081 5.443 -2.121 1.00 0.00 N ATOM 882 CA LEU A 60 -0.984 4.593 -1.659 1.00 0.00 C ATOM 883 C LEU A 60 -1.442 3.149 -1.443 1.00 0.00 C ATOM 884 O LEU A 60 -2.633 2.880 -1.286 1.00 0.00 O ATOM 885 CB LEU A 60 -0.394 5.147 -0.362 1.00 0.00 C ATOM 886 CG LEU A 60 -1.419 5.696 0.629 1.00 0.00 C ATOM 887 CD1 LEU A 60 -0.865 5.662 2.044 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.823 7.110 0.244 1.00 0.00 C ATOM 0 H LEU A 60 -2.993 5.203 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.219 4.593 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.176 4.357 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.311 5.941 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.306 5.064 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.609 6.057 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.626 4.634 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.038 6.271 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.554 7.487 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.944 7.754 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.262 7.104 -0.754 1.00 0.00 H new ATOM 900 N ARG A 61 -0.480 2.229 -1.426 1.00 0.00 N ATOM 901 CA ARG A 61 -0.762 0.809 -1.216 1.00 0.00 C ATOM 902 C ARG A 61 0.231 0.210 -0.227 1.00 0.00 C ATOM 903 O ARG A 61 1.408 0.560 -0.233 1.00 0.00 O ATOM 904 CB ARG A 61 -0.701 0.035 -2.538 1.00 0.00 C ATOM 905 CG ARG A 61 0.705 -0.389 -2.937 1.00 0.00 C ATOM 906 CD ARG A 61 0.703 -1.242 -4.194 1.00 0.00 C ATOM 907 NE ARG A 61 1.750 -2.261 -4.161 1.00 0.00 N ATOM 908 CZ ARG A 61 2.297 -2.805 -5.246 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.903 -2.434 -6.458 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.244 -3.725 -5.119 1.00 0.00 N ATOM 0 H ARG A 61 0.509 2.443 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.770 0.726 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.329 -0.852 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.123 0.654 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.319 0.497 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.162 -0.947 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.269 -1.723 -4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.844 -0.604 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 61 2.083 -2.575 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.176 -1.727 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.328 -2.856 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.552 -4.015 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.664 -4.143 -5.949 1.00 0.00 H new ATOM 924 N LEU A 62 -0.239 -0.705 0.606 1.00 0.00 N ATOM 925 CA LEU A 62 0.627 -1.358 1.581 1.00 0.00 C ATOM 926 C LEU A 62 1.039 -2.729 1.085 1.00 0.00 C ATOM 927 O LEU A 62 0.235 -3.481 0.537 1.00 0.00 O ATOM 928 CB LEU A 62 -0.035 -1.451 2.958 1.00 0.00 C ATOM 929 CG LEU A 62 -1.256 -0.550 3.173 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.179 -1.145 4.224 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.818 0.850 3.577 1.00 0.00 C ATOM 0 H LEU A 62 -1.211 -1.013 0.629 1.00 0.00 H new ATOM 0 HA LEU A 62 1.521 -0.744 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.336 -2.485 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.710 -1.208 3.716 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.805 -0.482 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.040 -0.492 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.518 -2.128 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.641 -1.243 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.697 1.477 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.247 0.799 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.196 1.278 2.791 1.00 0.00 H new ATOM 943 N ILE A 63 2.316 -3.020 1.258 1.00 0.00 N ATOM 944 CA ILE A 63 2.899 -4.268 0.809 1.00 0.00 C ATOM 945 C ILE A 63 2.787 -5.367 1.864 1.00 0.00 C ATOM 946 O ILE A 63 2.960 -5.117 3.054 1.00 0.00 O ATOM 947 CB ILE A 63 4.381 -4.031 0.459 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.552 -3.847 -1.044 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.257 -5.151 0.977 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.357 -2.413 -1.477 1.00 0.00 C ATOM 0 H ILE A 63 2.979 -2.394 1.716 1.00 0.00 H new ATOM 0 HA ILE A 63 2.347 -4.604 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 63 4.702 -3.114 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.548 -4.179 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.838 -4.482 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.296 -4.952 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.164 -5.214 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.943 -6.095 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.490 -2.338 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.352 -2.086 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.089 -1.779 -0.976 1.00 0.00 H new ATOM 962 N GLY A 64 2.520 -6.590 1.407 1.00 0.00 N ATOM 963 CA GLY A 64 2.409 -7.723 2.311 1.00 0.00 C ATOM 964 C GLY A 64 3.744 -8.404 2.536 1.00 0.00 C ATOM 965 O GLY A 64 3.830 -9.631 2.522 1.00 0.00 O ATOM 0 H GLY A 64 2.378 -6.816 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.009 -7.386 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.699 -8.443 1.904 1.00 0.00 H new ATOM 969 N LYS A 65 4.780 -7.588 2.740 1.00 0.00 N ATOM 970 CA LYS A 65 6.151 -8.051 2.970 1.00 0.00 C ATOM 971 C LYS A 65 6.505 -9.289 2.148 1.00 0.00 C ATOM 972 O LYS A 65 5.701 -9.791 1.365 1.00 0.00 O ATOM 973 CB LYS A 65 6.403 -8.306 4.457 1.00 0.00 C ATOM 974 CG LYS A 65 5.311 -9.098 5.158 1.00 0.00 C ATOM 975 CD LYS A 65 5.874 -10.311 5.883 1.00 0.00 C ATOM 976 CE LYS A 65 6.113 -11.469 4.928 1.00 0.00 C ATOM 977 NZ LYS A 65 4.849 -12.178 4.586 1.00 0.00 N ATOM 0 H LYS A 65 4.689 -6.572 2.750 1.00 0.00 H new ATOM 0 HA LYS A 65 6.806 -7.248 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.347 -8.840 4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.519 -7.347 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.795 -8.455 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.570 -9.422 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.810 -10.042 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.183 -10.621 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.578 -11.097 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.813 -12.172 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.058 -12.971 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.409 -12.541 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.197 -11.518 4.117 1.00 0.00 H new ATOM 991 N VAL A 66 7.735 -9.759 2.312 1.00 0.00 N ATOM 992 CA VAL A 66 8.212 -10.910 1.582 1.00 0.00 C ATOM 993 C VAL A 66 9.264 -11.669 2.385 1.00 0.00 C ATOM 994 O VAL A 66 9.811 -11.146 3.356 1.00 0.00 O ATOM 995 CB VAL A 66 8.805 -10.481 0.243 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.074 -11.684 -0.648 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.891 -9.480 -0.452 1.00 0.00 C ATOM 0 H VAL A 66 8.419 -9.352 2.950 1.00 0.00 H new ATOM 0 HA VAL A 66 7.362 -11.570 1.407 1.00 0.00 H new ATOM 0 HB VAL A 66 9.760 -9.993 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.496 -11.348 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.779 -12.353 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.140 -12.214 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.331 -9.186 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.917 -9.937 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.770 -8.599 0.179 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.260 -7.544 -1.328 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.359 -6.125 -1.009 1.00 0.00 C ATOM 1313 C ARG A 86 -1.750 -5.590 -1.347 1.00 0.00 C ATOM 1314 O ARG A 86 -2.487 -6.200 -2.121 1.00 0.00 O ATOM 1315 CB ARG A 86 0.726 -5.340 -1.755 1.00 0.00 C ATOM 1316 CG ARG A 86 0.499 -5.222 -3.251 1.00 0.00 C ATOM 1317 CD ARG A 86 0.832 -6.516 -3.978 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.355 -7.143 -4.556 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.084 -6.597 -5.526 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.753 -5.415 -6.031 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.148 -7.235 -5.994 1.00 0.00 N ATOM 0 HA ARG A 86 -0.203 -5.996 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.790 -4.338 -1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.689 -5.821 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.541 -4.956 -3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.112 -4.414 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.555 -6.312 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.306 -7.210 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.641 -8.053 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.065 -4.919 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.316 -5.002 -6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.407 -8.144 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.707 -6.817 -6.738 1.00 0.00 H new ATOM 1335 N HIS A 87 -2.107 -4.453 -0.755 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.413 -3.845 -0.987 1.00 0.00 C ATOM 1337 C HIS A 87 -3.263 -2.394 -1.425 1.00 0.00 C ATOM 1338 O HIS A 87 -2.486 -1.639 -0.843 1.00 0.00 O ATOM 1339 CB HIS A 87 -4.268 -3.922 0.279 1.00 0.00 C ATOM 1340 CG HIS A 87 -4.311 -5.289 0.890 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -5.152 -6.287 0.444 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -3.610 -5.822 1.918 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -4.967 -7.374 1.172 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -4.037 -7.118 2.072 1.00 0.00 N ATOM 0 H HIS A 87 -1.510 -3.935 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.909 -4.399 -1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.879 -3.217 1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.284 -3.607 0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.856 -5.321 2.507 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.488 -8.312 1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.691 -7.777 2.770 1.00 0.00 H new ATOM 1353 N MET A 88 -4.003 -2.015 -2.461 1.00 0.00 N ATOM 1354 CA MET A 88 -3.941 -0.657 -2.988 1.00 0.00 C ATOM 1355 C MET A 88 -5.290 0.050 -2.868 1.00 0.00 C ATOM 1356 O MET A 88 -6.342 -0.546 -3.099 1.00 0.00 O ATOM 1357 CB MET A 88 -3.468 -0.700 -4.451 1.00 0.00 C ATOM 1358 CG MET A 88 -4.248 0.196 -5.412 1.00 0.00 C ATOM 1359 SD MET A 88 -5.807 -0.541 -5.952 1.00 0.00 S ATOM 1360 CE MET A 88 -6.094 0.332 -7.494 1.00 0.00 C ATOM 0 H MET A 88 -4.653 -2.629 -2.952 1.00 0.00 H new ATOM 0 HA MET A 88 -3.227 -0.083 -2.397 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.417 -0.414 -4.485 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.530 -1.729 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.452 1.150 -4.926 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.631 0.408 -6.285 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.104 0.742 -7.498 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.373 1.143 -7.592 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.980 -0.358 -8.330 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.242 1.332 -2.518 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.446 2.140 -2.382 1.00 0.00 C ATOM 1372 C PHE A 89 -6.131 3.602 -2.685 1.00 0.00 C ATOM 1373 O PHE A 89 -5.075 4.110 -2.308 1.00 0.00 O ATOM 1374 CB PHE A 89 -7.057 1.981 -0.984 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.219 2.523 0.139 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.902 2.125 0.306 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -6.763 3.424 1.040 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.143 2.620 1.350 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -6.012 3.919 2.086 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.699 3.517 2.242 1.00 0.00 C ATOM 0 H PHE A 89 -4.376 1.834 -2.323 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.185 1.791 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.026 2.480 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.241 0.922 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.464 1.421 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.788 3.743 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.116 2.306 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.449 4.620 2.782 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.109 3.903 3.060 1.00 0.00 H new ATOM 1390 N SER A 90 -7.038 4.265 -3.397 1.00 0.00 N ATOM 1391 CA SER A 90 -6.837 5.659 -3.784 1.00 0.00 C ATOM 1392 C SER A 90 -7.436 6.626 -2.769 1.00 0.00 C ATOM 1393 O SER A 90 -8.501 6.378 -2.212 1.00 0.00 O ATOM 1394 CB SER A 90 -7.448 5.914 -5.162 1.00 0.00 C ATOM 1395 OG SER A 90 -6.747 6.936 -5.850 1.00 0.00 O ATOM 0 H SER A 90 -7.918 3.861 -3.717 1.00 0.00 H new ATOM 0 HA SER A 90 -5.762 5.836 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.426 4.996 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.495 6.197 -5.052 1.00 0.00 H new ATOM 0 HG SER A 90 -7.156 7.079 -6.729 1.00 0.00 H new ATOM 1401 N PHE A 91 -6.743 7.740 -2.548 1.00 0.00 N ATOM 1402 CA PHE A 91 -7.205 8.759 -1.613 1.00 0.00 C ATOM 1403 C PHE A 91 -7.877 9.902 -2.363 1.00 0.00 C ATOM 1404 O PHE A 91 -7.825 9.966 -3.591 1.00 0.00 O ATOM 1405 CB PHE A 91 -6.036 9.304 -0.787 1.00 0.00 C ATOM 1406 CG PHE A 91 -5.509 8.337 0.233 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -5.087 7.072 -0.143 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -5.431 8.696 1.569 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -4.598 6.184 0.794 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -4.943 7.811 2.511 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.526 6.554 2.123 1.00 0.00 C ATOM 0 H PHE A 91 -5.858 7.959 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.928 8.298 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.226 9.583 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.356 10.214 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.141 6.777 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.755 9.679 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.272 5.201 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.888 8.102 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.144 5.860 2.857 1.00 0.00 H new ATOM 1421 N ASN A 92 -8.506 10.805 -1.620 1.00 0.00 N ATOM 1422 CA ASN A 92 -9.184 11.945 -2.222 1.00 0.00 C ATOM 1423 C ASN A 92 -8.633 13.259 -1.674 1.00 0.00 C ATOM 1424 O ASN A 92 -9.350 14.256 -1.583 1.00 0.00 O ATOM 1425 CB ASN A 92 -10.692 11.858 -1.973 1.00 0.00 C ATOM 1426 CG ASN A 92 -11.375 10.866 -2.898 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -11.745 11.203 -4.023 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -11.546 9.635 -2.427 1.00 0.00 N ATOM 0 H ASN A 92 -8.560 10.770 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.002 11.921 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.870 11.568 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.137 12.844 -2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.999 8.927 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.224 9.399 -1.488 1.00 0.00 H new ATOM 1435 N ASN A 93 -7.352 13.251 -1.313 1.00 0.00 N ATOM 1436 CA ASN A 93 -6.695 14.440 -0.777 1.00 0.00 C ATOM 1437 C ASN A 93 -5.239 14.140 -0.428 1.00 0.00 C ATOM 1438 O ASN A 93 -4.918 13.059 0.065 1.00 0.00 O ATOM 1439 CB ASN A 93 -7.439 14.953 0.459 1.00 0.00 C ATOM 1440 CG ASN A 93 -7.851 16.405 0.324 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -8.395 16.816 -0.702 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -7.593 17.193 1.361 1.00 0.00 N ATOM 0 H ASN A 93 -6.747 12.432 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.715 15.215 -1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.325 14.341 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.802 14.839 1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.847 18.180 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.141 16.811 2.192 1.00 0.00 H new ATOM 1449 N ARG A 94 -4.362 15.103 -0.694 1.00 0.00 N ATOM 1450 CA ARG A 94 -2.939 14.943 -0.416 1.00 0.00 C ATOM 1451 C ARG A 94 -2.670 14.850 1.084 1.00 0.00 C ATOM 1452 O ARG A 94 -1.890 14.010 1.532 1.00 0.00 O ATOM 1453 CB ARG A 94 -2.150 16.109 -1.014 1.00 0.00 C ATOM 1454 CG ARG A 94 -1.720 15.877 -2.454 1.00 0.00 C ATOM 1455 CD ARG A 94 -0.878 17.029 -2.981 1.00 0.00 C ATOM 1456 NE ARG A 94 0.141 17.450 -2.021 1.00 0.00 N ATOM 1457 CZ ARG A 94 -0.061 18.362 -1.072 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -1.243 18.952 -0.944 1.00 0.00 N ATOM 1459 NH2 ARG A 94 0.924 18.685 -0.245 1.00 0.00 N ATOM 0 H ARG A 94 -4.612 16.004 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.613 14.011 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.759 17.012 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.265 16.289 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.150 14.950 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.602 15.754 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.397 16.729 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.526 17.874 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 94 1.063 17.019 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.006 18.708 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.388 19.649 -0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.835 18.235 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.771 19.383 0.482 1.00 0.00 H new ATOM 1473 N THR A 95 -3.315 15.719 1.855 1.00 0.00 N ATOM 1474 CA THR A 95 -3.137 15.735 3.303 1.00 0.00 C ATOM 1475 C THR A 95 -3.592 14.422 3.925 1.00 0.00 C ATOM 1476 O THR A 95 -3.014 13.960 4.909 1.00 0.00 O ATOM 1477 CB THR A 95 -3.907 16.903 3.922 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.661 18.100 3.207 1.00 0.00 O ATOM 1479 CG2 THR A 95 -3.552 17.152 5.372 1.00 0.00 C ATOM 0 H THR A 95 -3.965 16.421 1.502 1.00 0.00 H new ATOM 0 HA THR A 95 -2.074 15.861 3.509 1.00 0.00 H new ATOM 0 HB THR A 95 -4.958 16.619 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.163 18.835 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.133 17.993 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.777 16.262 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.489 17.380 5.452 1.00 0.00 H new ATOM 1487 N VAL A 96 -4.624 13.822 3.348 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.140 12.560 3.853 1.00 0.00 C ATOM 1489 C VAL A 96 -4.085 11.467 3.747 1.00 0.00 C ATOM 1490 O VAL A 96 -3.809 10.760 4.716 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.400 12.119 3.088 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.980 10.854 3.698 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.436 13.233 3.084 1.00 0.00 C ATOM 0 H VAL A 96 -5.118 14.188 2.534 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.402 12.716 4.899 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.119 11.905 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.870 10.558 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.240 10.055 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.246 11.041 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.321 12.905 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.712 13.477 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.019 14.116 2.600 1.00 0.00 H new ATOM 1503 N MET A 97 -3.493 11.341 2.566 1.00 0.00 N ATOM 1504 CA MET A 97 -2.462 10.341 2.336 1.00 0.00 C ATOM 1505 C MET A 97 -1.214 10.673 3.144 1.00 0.00 C ATOM 1506 O MET A 97 -0.583 9.789 3.720 1.00 0.00 O ATOM 1507 CB MET A 97 -2.118 10.259 0.848 1.00 0.00 C ATOM 1508 CG MET A 97 -1.739 11.598 0.235 1.00 0.00 C ATOM 1509 SD MET A 97 -1.097 11.437 -1.442 1.00 0.00 S ATOM 1510 CE MET A 97 0.537 10.780 -1.117 1.00 0.00 C ATOM 0 H MET A 97 -3.710 11.919 1.754 1.00 0.00 H new ATOM 0 HA MET A 97 -2.843 9.372 2.659 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.292 9.560 0.713 1.00 0.00 H new ATOM 0 HB3 MET A 97 -2.973 9.851 0.308 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.613 12.249 0.224 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.990 12.081 0.862 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.226 11.121 -1.889 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.882 11.128 -0.143 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.498 9.691 -1.120 1.00 0.00 H new ATOM 1520 N ASP A 98 -0.867 11.956 3.184 1.00 0.00 N ATOM 1521 CA ASP A 98 0.304 12.408 3.924 1.00 0.00 C ATOM 1522 C ASP A 98 0.103 12.231 5.423 1.00 0.00 C ATOM 1523 O ASP A 98 1.004 11.773 6.125 1.00 0.00 O ATOM 1524 CB ASP A 98 0.601 13.874 3.606 1.00 0.00 C ATOM 1525 CG ASP A 98 1.531 14.031 2.418 1.00 0.00 C ATOM 1526 OD1 ASP A 98 2.749 13.812 2.585 1.00 0.00 O ATOM 1527 OD2 ASP A 98 1.041 14.372 1.321 1.00 0.00 O ATOM 0 H ASP A 98 -1.381 12.700 2.712 1.00 0.00 H new ATOM 0 HA ASP A 98 1.153 11.798 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.334 14.396 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.048 14.349 4.479 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.080 12.595 5.914 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.377 12.468 7.337 1.00 0.00 C ATOM 1534 C ASN A 99 -1.134 11.038 7.812 1.00 0.00 C ATOM 1535 O ASN A 99 -0.443 10.813 8.804 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.826 12.873 7.616 1.00 0.00 C ATOM 1537 CG ASN A 99 -2.956 14.338 7.985 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -2.025 14.941 8.518 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.117 14.918 7.702 1.00 0.00 N ATOM 0 H ASN A 99 -1.841 12.977 5.353 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.712 13.135 7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.434 12.668 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.222 12.261 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.264 15.902 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.862 14.379 7.260 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.690 10.072 7.089 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.502 8.672 7.429 1.00 0.00 C ATOM 1548 C ILE A 100 -0.115 8.192 7.012 1.00 0.00 C ATOM 1549 O ILE A 100 0.516 7.409 7.717 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.574 7.768 6.794 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -3.905 7.942 7.521 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.136 6.311 6.813 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -5.003 7.070 6.964 1.00 0.00 C ATOM 0 H ILE A 100 -2.272 10.235 6.267 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.600 8.599 8.512 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.704 8.064 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.768 7.712 8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.212 8.986 7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.910 5.692 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.209 6.203 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.975 5.993 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.923 7.241 7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.166 7.316 5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.715 6.022 7.050 1.00 0.00 H new ATOM 1565 N LYS A 101 0.352 8.659 5.853 1.00 0.00 N ATOM 1566 CA LYS A 101 1.662 8.261 5.346 1.00 0.00 C ATOM 1567 C LYS A 101 2.725 8.525 6.393 1.00 0.00 C ATOM 1568 O LYS A 101 3.513 7.644 6.734 1.00 0.00 O ATOM 1569 CB LYS A 101 1.995 9.010 4.053 1.00 0.00 C ATOM 1570 CG LYS A 101 3.397 8.738 3.530 1.00 0.00 C ATOM 1571 CD LYS A 101 4.385 9.785 4.017 1.00 0.00 C ATOM 1572 CE LYS A 101 5.439 10.089 2.964 1.00 0.00 C ATOM 1573 NZ LYS A 101 6.004 8.847 2.369 1.00 0.00 N ATOM 0 H LYS A 101 -0.155 9.309 5.252 1.00 0.00 H new ATOM 0 HA LYS A 101 1.637 7.194 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.271 8.733 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.883 10.080 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.723 7.750 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.384 8.727 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.851 10.700 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.870 9.434 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.999 10.701 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.242 10.674 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.937 9.053 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.104 8.122 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.367 8.497 1.625 1.00 0.00 H new ATOM 1587 N MET A 102 2.717 9.735 6.920 1.00 0.00 N ATOM 1588 CA MET A 102 3.663 10.114 7.961 1.00 0.00 C ATOM 1589 C MET A 102 3.465 9.218 9.176 1.00 0.00 C ATOM 1590 O MET A 102 4.420 8.867 9.869 1.00 0.00 O ATOM 1591 CB MET A 102 3.486 11.580 8.355 1.00 0.00 C ATOM 1592 CG MET A 102 2.047 11.962 8.650 1.00 0.00 C ATOM 1593 SD MET A 102 1.698 12.049 10.417 1.00 0.00 S ATOM 1594 CE MET A 102 1.156 13.749 10.572 1.00 0.00 C ATOM 0 H MET A 102 2.068 10.473 6.647 1.00 0.00 H new ATOM 0 HA MET A 102 4.675 9.989 7.575 1.00 0.00 H new ATOM 0 HB2 MET A 102 4.095 11.787 9.235 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.863 12.212 7.550 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.831 12.928 8.193 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.380 11.234 8.188 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.903 13.957 11.612 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.956 14.417 10.253 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.278 13.909 9.946 1.00 0.00 H new ATOM 1604 N THR A 103 2.212 8.833 9.411 1.00 0.00 N ATOM 1605 CA THR A 103 1.874 7.961 10.516 1.00 0.00 C ATOM 1606 C THR A 103 2.451 6.576 10.259 1.00 0.00 C ATOM 1607 O THR A 103 3.178 6.028 11.085 1.00 0.00 O ATOM 1608 CB THR A 103 0.347 7.887 10.662 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.115 8.821 11.621 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.162 6.527 11.068 1.00 0.00 C ATOM 0 H THR A 103 1.415 9.118 8.842 1.00 0.00 H new ATOM 0 HA THR A 103 2.296 8.354 11.441 1.00 0.00 H new ATOM 0 HB THR A 103 -0.039 8.114 9.668 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.090 8.757 11.696 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.249 6.555 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.126 5.792 10.317 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.268 6.250 12.031 1.00 0.00 H new ATOM 1618 N LEU A 104 2.123 6.033 9.092 1.00 0.00 N ATOM 1619 CA LEU A 104 2.597 4.721 8.686 1.00 0.00 C ATOM 1620 C LEU A 104 4.111 4.709 8.590 1.00 0.00 C ATOM 1621 O LEU A 104 4.759 3.707 8.889 1.00 0.00 O ATOM 1622 CB LEU A 104 1.970 4.327 7.347 1.00 0.00 C ATOM 1623 CG LEU A 104 0.782 3.364 7.450 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.406 3.873 6.637 1.00 0.00 C ATOM 1625 CD2 LEU A 104 1.195 1.971 6.993 1.00 0.00 C ATOM 0 H LEU A 104 1.523 6.490 8.405 1.00 0.00 H new ATOM 0 HA LEU A 104 2.298 3.992 9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.642 5.232 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.738 3.869 6.724 1.00 0.00 H new ATOM 0 HG LEU A 104 0.471 3.309 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.236 3.172 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.713 4.849 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.118 3.962 5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.343 1.295 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.532 2.013 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.006 1.607 7.624 1.00 0.00 H new ATOM 1637 N GLN A 105 4.667 5.836 8.181 1.00 0.00 N ATOM 1638 CA GLN A 105 6.106 5.974 8.054 1.00 0.00 C ATOM 1639 C GLN A 105 6.785 5.665 9.382 1.00 0.00 C ATOM 1640 O GLN A 105 7.875 5.096 9.418 1.00 0.00 O ATOM 1641 CB GLN A 105 6.440 7.393 7.610 1.00 0.00 C ATOM 1642 CG GLN A 105 7.180 7.462 6.284 1.00 0.00 C ATOM 1643 CD GLN A 105 8.265 8.521 6.277 1.00 0.00 C ATOM 1644 OE1 GLN A 105 9.406 8.259 6.655 1.00 0.00 O ATOM 1645 NE2 GLN A 105 7.912 9.726 5.845 1.00 0.00 N ATOM 0 H GLN A 105 4.140 6.672 7.930 1.00 0.00 H new ATOM 0 HA GLN A 105 6.471 5.267 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.516 7.966 7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.046 7.871 8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.624 6.490 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.468 7.671 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.954 9.898 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.599 10.479 5.817 1.00 0.00 H new ATOM 1654 N GLN A 106 6.128 6.040 10.474 1.00 0.00 N ATOM 1655 CA GLN A 106 6.663 5.792 11.800 1.00 0.00 C ATOM 1656 C GLN A 106 6.455 4.339 12.198 1.00 0.00 C ATOM 1657 O GLN A 106 7.350 3.701 12.752 1.00 0.00 O ATOM 1658 CB GLN A 106 6.014 6.722 12.827 1.00 0.00 C ATOM 1659 CG GLN A 106 6.758 8.033 13.018 1.00 0.00 C ATOM 1660 CD GLN A 106 6.196 9.152 12.164 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.012 9.480 12.251 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.044 9.746 11.333 1.00 0.00 N ATOM 0 H GLN A 106 5.226 6.516 10.463 1.00 0.00 H new ATOM 0 HA GLN A 106 7.734 5.995 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.992 6.936 12.515 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.954 6.206 13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.711 8.323 14.068 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.810 7.888 12.774 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.017 9.442 11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.723 10.506 10.734 1.00 0.00 H new ATOM 1671 N ILE A 107 5.270 3.820 11.902 1.00 0.00 N ATOM 1672 CA ILE A 107 4.946 2.440 12.221 1.00 0.00 C ATOM 1673 C ILE A 107 5.834 1.499 11.426 1.00 0.00 C ATOM 1674 O ILE A 107 6.454 0.594 11.982 1.00 0.00 O ATOM 1675 CB ILE A 107 3.470 2.116 11.933 1.00 0.00 C ATOM 1676 CG1 ILE A 107 2.585 3.321 12.268 1.00 0.00 C ATOM 1677 CG2 ILE A 107 3.042 0.890 12.728 1.00 0.00 C ATOM 1678 CD1 ILE A 107 1.107 3.011 12.295 1.00 0.00 C ATOM 0 H ILE A 107 4.520 4.335 11.442 1.00 0.00 H new ATOM 0 HA ILE A 107 5.120 2.303 13.288 1.00 0.00 H new ATOM 0 HB ILE A 107 3.355 1.897 10.872 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.880 3.716 13.240 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.767 4.107 11.535 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.996 0.667 12.518 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.659 0.038 12.442 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.165 1.086 13.793 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.550 3.915 12.539 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.794 2.645 11.317 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.909 2.248 13.048 1.00 0.00 H new ATOM 1690 N ILE A 108 5.923 1.741 10.121 1.00 0.00 N ATOM 1691 CA ILE A 108 6.773 0.934 9.259 1.00 0.00 C ATOM 1692 C ILE A 108 8.180 0.926 9.822 1.00 0.00 C ATOM 1693 O ILE A 108 8.874 -0.091 9.814 1.00 0.00 O ATOM 1694 CB ILE A 108 6.775 1.473 7.811 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.935 0.325 6.814 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.860 2.518 7.601 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.820 -0.693 6.882 1.00 0.00 C ATOM 0 H ILE A 108 5.418 2.487 9.641 1.00 0.00 H new ATOM 0 HA ILE A 108 6.382 -0.083 9.229 1.00 0.00 H new ATOM 0 HB ILE A 108 5.814 1.958 7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.981 0.735 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.885 -0.176 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.829 2.873 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.694 3.356 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.835 2.075 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.999 -1.478 6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.787 -1.130 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.869 -0.206 6.668 1.00 0.00 H new ATOM 1709 N SER A 109 8.569 2.078 10.343 1.00 0.00 N ATOM 1710 CA SER A 109 9.874 2.236 10.961 1.00 0.00 C ATOM 1711 C SER A 109 9.933 1.405 12.237 1.00 0.00 C ATOM 1712 O SER A 109 10.968 0.826 12.569 1.00 0.00 O ATOM 1713 CB SER A 109 10.149 3.708 11.274 1.00 0.00 C ATOM 1714 OG SER A 109 10.194 4.482 10.088 1.00 0.00 O ATOM 0 H SER A 109 7.996 2.922 10.350 1.00 0.00 H new ATOM 0 HA SER A 109 10.640 1.889 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.372 4.094 11.934 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.095 3.799 11.807 1.00 0.00 H new ATOM 0 HG SER A 109 9.324 4.443 9.639 1.00 0.00 H new ATOM 1720 N ARG A 110 8.803 1.340 12.944 1.00 0.00 N ATOM 1721 CA ARG A 110 8.717 0.567 14.177 1.00 0.00 C ATOM 1722 C ARG A 110 8.896 -0.919 13.887 1.00 0.00 C ATOM 1723 O ARG A 110 9.662 -1.607 14.561 1.00 0.00 O ATOM 1724 CB ARG A 110 7.367 0.793 14.864 1.00 0.00 C ATOM 1725 CG ARG A 110 7.128 2.228 15.303 1.00 0.00 C ATOM 1726 CD ARG A 110 6.372 2.285 16.620 1.00 0.00 C ATOM 1727 NE ARG A 110 6.079 3.658 17.025 1.00 0.00 N ATOM 1728 CZ ARG A 110 6.971 4.474 17.581 1.00 0.00 C ATOM 1729 NH1 ARG A 110 8.214 4.061 17.799 1.00 0.00 N ATOM 1730 NH2 ARG A 110 6.621 5.708 17.919 1.00 0.00 N ATOM 0 H ARG A 110 7.938 1.813 12.682 1.00 0.00 H new ATOM 0 HA ARG A 110 9.514 0.902 14.841 1.00 0.00 H new ATOM 0 HB2 ARG A 110 6.570 0.495 14.183 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.301 0.142 15.736 1.00 0.00 H new ATOM 0 HG2 ARG A 110 8.083 2.742 15.407 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.564 2.756 14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 110 5.440 1.728 16.527 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.960 1.796 17.397 1.00 0.00 H new ATOM 0 HE ARG A 110 5.135 4.012 16.872 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.489 3.114 17.540 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.893 4.691 18.226 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.668 6.031 17.753 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.305 6.333 18.345 1.00 0.00 H new ATOM 1744 N TYR A 111 8.181 -1.406 12.876 1.00 0.00 N ATOM 1745 CA TYR A 111 8.257 -2.810 12.492 1.00 0.00 C ATOM 1746 C TYR A 111 9.632 -3.144 11.925 1.00 0.00 C ATOM 1747 O TYR A 111 10.102 -4.276 12.035 1.00 0.00 O ATOM 1748 CB TYR A 111 7.172 -3.136 11.464 1.00 0.00 C ATOM 1749 CG TYR A 111 5.808 -3.372 12.075 1.00 0.00 C ATOM 1750 CD1 TYR A 111 4.991 -2.306 12.432 1.00 0.00 C ATOM 1751 CD2 TYR A 111 5.340 -4.661 12.296 1.00 0.00 C ATOM 1752 CE1 TYR A 111 3.745 -2.519 12.992 1.00 0.00 C ATOM 1753 CE2 TYR A 111 4.096 -4.882 12.855 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.303 -3.809 13.201 1.00 0.00 C ATOM 1755 OH TYR A 111 2.063 -4.026 13.757 1.00 0.00 O ATOM 0 H TYR A 111 7.543 -0.848 12.309 1.00 0.00 H new ATOM 0 HA TYR A 111 8.096 -3.416 13.383 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.103 -2.316 10.749 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.468 -4.023 10.905 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.335 -1.295 12.269 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.959 -5.504 12.026 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.121 -1.680 13.264 1.00 0.00 H new ATOM 0 HE2 TYR A 111 3.747 -5.891 13.020 1.00 0.00 H new ATOM 0 HH TYR A 111 1.825 -4.972 13.667 1.00 0.00 H new ATOM 1765 N LYS A 112 10.275 -2.150 11.319 1.00 0.00 N ATOM 1766 CA LYS A 112 11.598 -2.338 10.737 1.00 0.00 C ATOM 1767 C LYS A 112 12.679 -2.267 11.810 1.00 0.00 C ATOM 1768 O LYS A 112 13.729 -2.900 11.691 1.00 0.00 O ATOM 1769 CB LYS A 112 11.860 -1.282 9.661 1.00 0.00 C ATOM 1770 CG LYS A 112 10.906 -1.366 8.481 1.00 0.00 C ATOM 1771 CD LYS A 112 11.528 -2.114 7.313 1.00 0.00 C ATOM 1772 CE LYS A 112 10.788 -1.833 6.015 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.578 -2.250 4.824 1.00 0.00 N ATOM 0 H LYS A 112 9.900 -1.207 11.219 1.00 0.00 H new ATOM 0 HA LYS A 112 11.629 -3.327 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.783 -0.292 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.883 -1.390 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.989 -1.868 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.628 -0.361 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.573 -1.823 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.515 -3.185 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.834 -2.359 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.564 -0.768 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.039 -2.042 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.478 -1.729 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.770 -3.271 4.875 1.00 0.00 H new ATOM 1787 N ASP A 113 12.417 -1.493 12.859 1.00 0.00 N ATOM 1788 CA ASP A 113 13.368 -1.341 13.953 1.00 0.00 C ATOM 1789 C ASP A 113 13.190 -2.448 14.987 1.00 0.00 C ATOM 1790 O ASP A 113 14.165 -3.024 15.469 1.00 0.00 O ATOM 1791 CB ASP A 113 13.198 0.027 14.618 1.00 0.00 C ATOM 1792 CG ASP A 113 14.257 0.294 15.670 1.00 0.00 C ATOM 1793 OD1 ASP A 113 15.452 0.345 15.310 1.00 0.00 O ATOM 1794 OD2 ASP A 113 13.892 0.452 16.854 1.00 0.00 O ATOM 0 H ASP A 113 11.554 -0.962 12.974 1.00 0.00 H new ATOM 0 HA ASP A 113 14.374 -1.414 13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.241 0.806 13.857 1.00 0.00 H new ATOM 0 HB3 ASP A 113 12.211 0.085 15.077 1.00 0.00 H new ATOM 1799 N ALA A 114 11.938 -2.739 15.325 1.00 0.00 N ATOM 1800 CA ALA A 114 11.631 -3.776 16.301 1.00 0.00 C ATOM 1801 C ALA A 114 12.138 -5.137 15.835 1.00 0.00 C ATOM 1802 O ALA A 114 12.850 -5.828 16.564 1.00 0.00 O ATOM 1803 CB ALA A 114 10.133 -3.830 16.560 1.00 0.00 C ATOM 0 H ALA A 114 11.120 -2.270 14.937 1.00 0.00 H new ATOM 0 HA ALA A 114 12.141 -3.527 17.231 1.00 0.00 H new ATOM 0 HB1 ALA A 114 9.918 -4.609 17.291 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.795 -2.868 16.945 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.611 -4.052 15.629 1.00 0.00 H new ATOM 1809 N ASP A 115 11.767 -5.515 14.616 1.00 0.00 N ATOM 1810 CA ASP A 115 12.185 -6.794 14.053 1.00 0.00 C ATOM 1811 C ASP A 115 13.703 -6.860 13.921 1.00 0.00 C ATOM 1812 O ASP A 115 14.247 -7.984 13.921 1.00 0.00 O ATOM 1813 CB ASP A 115 11.532 -7.010 12.686 1.00 0.00 C ATOM 1814 CG ASP A 115 10.139 -7.597 12.797 1.00 0.00 C ATOM 1815 OD1 ASP A 115 9.271 -6.953 13.422 1.00 0.00 O ATOM 1816 OD2 ASP A 115 9.916 -8.702 12.258 1.00 0.00 O ATOM 1817 OXT ASP A 115 14.335 -5.787 13.818 1.00 0.00 O ATOM 0 H ASP A 115 11.178 -4.955 14.000 1.00 0.00 H new ATOM 0 HA ASP A 115 11.863 -7.584 14.731 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.481 -6.059 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.157 -7.674 12.089 1.00 0.00 H new ATOM 2088 N PHE B 475 -1.701 1.307 -11.574 1.00 0.00 N ATOM 2089 CA PHE B 475 -1.482 2.030 -10.334 1.00 0.00 C ATOM 2090 C PHE B 475 -0.140 1.641 -9.733 1.00 0.00 C ATOM 2091 O PHE B 475 0.510 2.453 -9.076 1.00 0.00 O ATOM 2092 CB PHE B 475 -2.634 1.799 -9.337 1.00 0.00 C ATOM 2093 CG PHE B 475 -2.556 0.530 -8.529 1.00 0.00 C ATOM 2094 CD1 PHE B 475 -1.498 0.276 -7.668 1.00 0.00 C ATOM 2095 CD2 PHE B 475 -3.563 -0.405 -8.627 1.00 0.00 C ATOM 2096 CE1 PHE B 475 -1.454 -0.890 -6.929 1.00 0.00 C ATOM 2097 CE2 PHE B 475 -3.527 -1.573 -7.893 1.00 0.00 C ATOM 2098 CZ PHE B 475 -2.470 -1.817 -7.044 1.00 0.00 C ATOM 0 HA PHE B 475 -1.463 3.097 -10.556 1.00 0.00 H new ATOM 0 HB2 PHE B 475 -2.669 2.644 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE B 475 -3.573 1.798 -9.890 1.00 0.00 H new ATOM 0 HD1 PHE B 475 -0.700 0.998 -7.575 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -4.395 -0.221 -9.290 1.00 0.00 H new ATOM 0 HE1 PHE B 475 -0.625 -1.076 -6.262 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -4.326 -2.294 -7.984 1.00 0.00 H new ATOM 0 HZ PHE B 475 -2.436 -2.731 -6.470 1.00 0.00 H new ATOM 2108 N GLU B 476 0.272 0.395 -9.963 1.00 0.00 N ATOM 2109 CA GLU B 476 1.540 -0.089 -9.434 1.00 0.00 C ATOM 2110 C GLU B 476 2.709 0.723 -9.964 1.00 0.00 C ATOM 2111 O GLU B 476 3.726 0.867 -9.286 1.00 0.00 O ATOM 2112 CB GLU B 476 1.738 -1.564 -9.746 1.00 0.00 C ATOM 2113 CG GLU B 476 0.519 -2.412 -9.437 1.00 0.00 C ATOM 2114 CD GLU B 476 0.879 -3.835 -9.058 1.00 0.00 C ATOM 2115 OE1 GLU B 476 1.447 -4.550 -9.910 1.00 0.00 O ATOM 2116 OE2 GLU B 476 0.592 -4.234 -7.910 1.00 0.00 O ATOM 0 H GLU B 476 -0.251 -0.291 -10.508 1.00 0.00 H new ATOM 0 HA GLU B 476 1.505 0.033 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU B 476 1.991 -1.674 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU B 476 2.587 -1.938 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU B 476 -0.041 -1.953 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU B 476 -0.138 -2.427 -10.306 1.00 0.00 H new ATOM 2123 N GLN B 477 2.562 1.278 -11.161 1.00 0.00 N ATOM 2124 CA GLN B 477 3.626 2.099 -11.731 1.00 0.00 C ATOM 2125 C GLN B 477 3.872 3.294 -10.829 1.00 0.00 C ATOM 2126 O GLN B 477 5.005 3.566 -10.434 1.00 0.00 O ATOM 2127 CB GLN B 477 3.270 2.554 -13.148 1.00 0.00 C ATOM 2128 CG GLN B 477 3.789 1.627 -14.234 1.00 0.00 C ATOM 2129 CD GLN B 477 3.089 1.836 -15.563 1.00 0.00 C ATOM 2130 OE1 GLN B 477 2.033 1.258 -15.819 1.00 0.00 O ATOM 2131 NE2 GLN B 477 3.677 2.665 -16.417 1.00 0.00 N ATOM 0 H GLN B 477 1.733 1.178 -11.747 1.00 0.00 H new ATOM 0 HA GLN B 477 4.537 1.504 -11.798 1.00 0.00 H new ATOM 0 HB2 GLN B 477 2.186 2.630 -13.234 1.00 0.00 H new ATOM 0 HB3 GLN B 477 3.674 3.553 -13.312 1.00 0.00 H new ATOM 0 HG2 GLN B 477 4.859 1.787 -14.362 1.00 0.00 H new ATOM 0 HG3 GLN B 477 3.657 0.592 -13.917 1.00 0.00 H new ATOM 0 HE21 GLN B 477 4.552 3.123 -16.163 1.00 0.00 H new ATOM 0 HE22 GLN B 477 3.253 2.844 -17.327 1.00 0.00 H new ATOM 2140 N MET B 478 2.794 3.971 -10.460 1.00 0.00 N ATOM 2141 CA MET B 478 2.891 5.095 -9.548 1.00 0.00 C ATOM 2142 C MET B 478 2.966 4.561 -8.119 1.00 0.00 C ATOM 2143 O MET B 478 3.162 5.314 -7.165 1.00 0.00 O ATOM 2144 CB MET B 478 1.686 6.025 -9.706 1.00 0.00 C ATOM 2145 CG MET B 478 1.797 6.969 -10.892 1.00 0.00 C ATOM 2146 SD MET B 478 0.210 7.681 -11.364 1.00 0.00 S ATOM 2147 CE MET B 478 -0.334 8.363 -9.800 1.00 0.00 C ATOM 0 H MET B 478 1.848 3.761 -10.778 1.00 0.00 H new ATOM 0 HA MET B 478 3.788 5.671 -9.775 1.00 0.00 H new ATOM 0 HB2 MET B 478 0.784 5.422 -9.815 1.00 0.00 H new ATOM 0 HB3 MET B 478 1.569 6.612 -8.795 1.00 0.00 H new ATOM 0 HG2 MET B 478 2.493 7.772 -10.648 1.00 0.00 H new ATOM 0 HG3 MET B 478 2.216 6.431 -11.742 1.00 0.00 H new ATOM 0 HE1 MET B 478 -1.176 7.783 -9.423 1.00 0.00 H new ATOM 0 HE2 MET B 478 0.484 8.323 -9.081 1.00 0.00 H new ATOM 0 HE3 MET B 478 -0.642 9.399 -9.942 1.00 0.00 H new ATOM 2157 N PHE B 479 2.801 3.240 -7.992 1.00 0.00 N ATOM 2158 CA PHE B 479 2.839 2.568 -6.704 1.00 0.00 C ATOM 2159 C PHE B 479 4.068 1.676 -6.571 1.00 0.00 C ATOM 2160 O PHE B 479 4.085 0.761 -5.748 1.00 0.00 O ATOM 2161 CB PHE B 479 1.577 1.727 -6.508 1.00 0.00 C ATOM 2162 CG PHE B 479 0.447 2.487 -5.871 1.00 0.00 C ATOM 2163 CD1 PHE B 479 0.438 3.874 -5.861 1.00 0.00 C ATOM 2164 CD2 PHE B 479 -0.605 1.813 -5.278 1.00 0.00 C ATOM 2165 CE1 PHE B 479 -0.597 4.568 -5.272 1.00 0.00 C ATOM 2166 CE2 PHE B 479 -1.644 2.505 -4.687 1.00 0.00 C ATOM 2167 CZ PHE B 479 -1.639 3.883 -4.684 1.00 0.00 C ATOM 0 H PHE B 479 2.638 2.615 -8.781 1.00 0.00 H new ATOM 0 HA PHE B 479 2.891 3.339 -5.935 1.00 0.00 H new ATOM 0 HB2 PHE B 479 1.249 1.346 -7.475 1.00 0.00 H new ATOM 0 HB3 PHE B 479 1.818 0.862 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE B 479 1.251 4.416 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE B 479 -0.614 0.733 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE B 479 -0.592 5.648 -5.271 1.00 0.00 H new ATOM 0 HE2 PHE B 479 -2.460 1.967 -4.228 1.00 0.00 H new ATOM 0 HZ PHE B 479 -2.450 4.426 -4.222 1.00 0.00 H new ATOM 2177 N THR B 480 5.099 1.939 -7.370 1.00 0.00 N ATOM 2178 CA THR B 480 6.310 1.145 -7.304 1.00 0.00 C ATOM 2179 C THR B 480 7.500 2.026 -6.943 1.00 0.00 C ATOM 2180 O THR B 480 8.011 2.781 -7.770 1.00 0.00 O ATOM 2181 CB THR B 480 6.562 0.435 -8.636 1.00 0.00 C ATOM 2182 OG1 THR B 480 7.693 -0.413 -8.546 1.00 0.00 O ATOM 2183 CG2 THR B 480 6.794 1.387 -9.789 1.00 0.00 C ATOM 0 H THR B 480 5.116 2.689 -8.062 1.00 0.00 H new ATOM 0 HA THR B 480 6.184 0.389 -6.529 1.00 0.00 H new ATOM 0 HB THR B 480 5.654 -0.135 -8.834 1.00 0.00 H new ATOM 0 HG1 THR B 480 7.837 -0.859 -9.407 1.00 0.00 H new ATOM 0 HG21 THR B 480 6.966 0.817 -10.702 1.00 0.00 H new ATOM 0 HG22 THR B 480 5.918 2.023 -9.918 1.00 0.00 H new ATOM 0 HG23 THR B 480 7.665 2.007 -9.579 1.00 0.00 H new ATOM 2191 N ASP B 481 7.923 1.923 -5.684 1.00 0.00 N ATOM 2192 CA ASP B 481 9.043 2.704 -5.170 1.00 0.00 C ATOM 2193 C ASP B 481 8.931 4.169 -5.584 1.00 0.00 C ATOM 2194 O ASP B 481 9.492 4.583 -6.598 1.00 0.00 O ATOM 2195 CB ASP B 481 10.368 2.118 -5.659 1.00 0.00 C ATOM 2196 CG ASP B 481 11.518 2.427 -4.721 1.00 0.00 C ATOM 2197 OD1 ASP B 481 12.113 3.518 -4.850 1.00 0.00 O ATOM 2198 OD2 ASP B 481 11.824 1.579 -3.857 1.00 0.00 O ATOM 0 H ASP B 481 7.501 1.299 -4.996 1.00 0.00 H new ATOM 0 HA ASP B 481 9.014 2.656 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP B 481 10.268 1.038 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP B 481 10.594 2.514 -6.649 1.00 0.00 H new ATOM 2203 N ALA B 482 8.202 4.947 -4.791 1.00 0.00 N ATOM 2204 CA ALA B 482 8.014 6.364 -5.072 1.00 0.00 C ATOM 2205 C ALA B 482 8.272 7.209 -3.829 1.00 0.00 C ATOM 2206 O ALA B 482 7.674 8.270 -3.653 1.00 0.00 O ATOM 2207 CB ALA B 482 6.608 6.614 -5.598 1.00 0.00 C ATOM 0 H ALA B 482 7.731 4.619 -3.948 1.00 0.00 H new ATOM 0 HA ALA B 482 8.735 6.657 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA B 482 6.480 7.677 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA B 482 6.456 6.046 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA B 482 5.879 6.299 -4.851 1.00 0.00 H new