USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc=-0.00927 X(o=-0.0093,f=-0.35) USER MOD Single : A 3 MET CE :methyl 165:sc= -0.0554 (180deg=-0.344) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.54 F(o=-1.4,f=-0.54) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0531) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -45:sc= 0.699 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 29 CYS SG : rot 83:sc= 0.463 USER MOD Single : A 30 GLN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0.177 (180deg=0.0914) USER MOD Single : A 35 SER OG : rot -102:sc= 0.156 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 151:sc= 0.468 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0453 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc=-0.00973 (180deg=-0.0747) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 1.28 (180deg=-0.679) USER MOD Single : A 49 ASN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 52 GLN : amide:sc= -0.0628 K(o=-0.063,f=-2.9!) USER MOD Single : A 54 SER OG : rot 86:sc=0.000232 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 61 MET CE :methyl -122:sc= -0.0591 (180deg=-0.272) USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0.446 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -148:sc= -1.72! (180deg=-3.49!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.783 -7.807 8.742 1.00 20.15 N ATOM 2 CA SER A 1 21.749 -6.334 8.572 1.00 21.22 C ATOM 3 C SER A 1 21.733 -5.963 7.070 1.00 44.31 C ATOM 4 O SER A 1 20.656 -5.706 6.511 1.00 75.51 O ATOM 5 CB SER A 1 22.945 -5.675 9.304 1.00 10.55 C ATOM 6 OG SER A 1 22.924 -4.262 9.165 1.00 22.33 O ATOM 0 H1 SER A 1 21.793 -8.039 9.756 1.00 20.15 H new ATOM 0 H2 SER A 1 20.941 -8.227 8.299 1.00 20.15 H new ATOM 0 H3 SER A 1 22.639 -8.189 8.291 1.00 20.15 H new ATOM 0 HA SER A 1 20.832 -5.951 9.020 1.00 21.22 H new ATOM 0 HB2 SER A 1 22.916 -5.938 10.361 1.00 10.55 H new ATOM 0 HB3 SER A 1 23.880 -6.067 8.903 1.00 10.55 H new ATOM 0 HG SER A 1 23.690 -3.875 9.639 1.00 22.33 H new ATOM 14 N HIS A 2 22.937 -5.969 6.422 1.00 0.10 N ATOM 15 CA HIS A 2 23.134 -5.669 4.974 1.00 33.24 C ATOM 16 C HIS A 2 22.770 -4.198 4.598 1.00 24.12 C ATOM 17 O HIS A 2 21.864 -3.585 5.180 1.00 62.22 O ATOM 18 CB HIS A 2 22.363 -6.693 4.081 1.00 72.22 C ATOM 19 CG HIS A 2 22.611 -6.548 2.591 1.00 21.11 C ATOM 20 ND1 HIS A 2 23.776 -6.968 1.981 1.00 52.52 N ATOM 21 CD2 HIS A 2 21.858 -6.001 1.601 1.00 43.54 C ATOM 22 CE1 HIS A 2 23.734 -6.683 0.698 1.00 61.14 C ATOM 23 NE2 HIS A 2 22.584 -6.097 0.444 1.00 11.22 N ATOM 0 H HIS A 2 23.810 -6.186 6.902 1.00 0.10 H new ATOM 0 HA HIS A 2 24.201 -5.775 4.777 1.00 33.24 H new ATOM 0 HB2 HIS A 2 22.642 -7.702 4.385 1.00 72.22 H new ATOM 0 HB3 HIS A 2 21.295 -6.587 4.270 1.00 72.22 H new ATOM 0 HD1 HIS A 2 24.553 -7.430 2.454 1.00 52.52 H new ATOM 0 HD2 HIS A 2 20.873 -5.572 1.707 1.00 43.54 H new ATOM 0 HE1 HIS A 2 24.510 -6.894 -0.023 1.00 61.14 H new ATOM 32 N MET A 3 23.502 -3.634 3.612 1.00 34.45 N ATOM 33 CA MET A 3 23.164 -2.325 3.011 1.00 62.22 C ATOM 34 C MET A 3 21.899 -2.469 2.127 1.00 21.53 C ATOM 35 O MET A 3 21.984 -2.754 0.932 1.00 12.43 O ATOM 36 CB MET A 3 24.362 -1.754 2.192 1.00 40.13 C ATOM 37 CG MET A 3 25.659 -1.545 2.993 1.00 41.45 C ATOM 38 SD MET A 3 26.387 -3.100 3.587 1.00 20.42 S ATOM 39 CE MET A 3 26.821 -3.936 2.054 1.00 41.15 C ATOM 0 H MET A 3 24.335 -4.068 3.214 1.00 34.45 H new ATOM 0 HA MET A 3 22.954 -1.615 3.811 1.00 62.22 H new ATOM 0 HB2 MET A 3 24.570 -2.430 1.363 1.00 40.13 H new ATOM 0 HB3 MET A 3 24.063 -0.800 1.758 1.00 40.13 H new ATOM 0 HG2 MET A 3 26.386 -1.026 2.368 1.00 41.45 H new ATOM 0 HG3 MET A 3 25.452 -0.898 3.846 1.00 41.45 H new ATOM 0 HE1 MET A 3 27.503 -4.759 2.269 1.00 41.15 H new ATOM 0 HE2 MET A 3 25.918 -4.326 1.584 1.00 41.15 H new ATOM 0 HE3 MET A 3 27.305 -3.230 1.379 1.00 41.15 H new ATOM 49 N LYS A 4 20.721 -2.346 2.769 1.00 45.00 N ATOM 50 CA LYS A 4 19.396 -2.517 2.116 1.00 34.31 C ATOM 51 C LYS A 4 19.064 -1.368 1.124 1.00 55.41 C ATOM 52 O LYS A 4 19.891 -0.480 0.888 1.00 3.53 O ATOM 53 CB LYS A 4 18.262 -2.685 3.186 1.00 4.42 C ATOM 54 CG LYS A 4 17.966 -1.460 4.102 1.00 75.34 C ATOM 55 CD LYS A 4 19.024 -1.233 5.210 1.00 25.42 C ATOM 56 CE LYS A 4 18.760 0.038 6.037 1.00 54.12 C ATOM 57 NZ LYS A 4 19.828 0.285 7.044 1.00 5.21 N ATOM 0 H LYS A 4 20.655 -2.124 3.762 1.00 45.00 H new ATOM 0 HA LYS A 4 19.452 -3.431 1.525 1.00 34.31 H new ATOM 0 HB2 LYS A 4 17.341 -2.949 2.665 1.00 4.42 H new ATOM 0 HB3 LYS A 4 18.521 -3.530 3.824 1.00 4.42 H new ATOM 0 HG2 LYS A 4 17.903 -0.564 3.484 1.00 75.34 H new ATOM 0 HG3 LYS A 4 16.990 -1.595 4.568 1.00 75.34 H new ATOM 0 HD2 LYS A 4 19.038 -2.097 5.875 1.00 25.42 H new ATOM 0 HD3 LYS A 4 20.012 -1.165 4.754 1.00 25.42 H new ATOM 0 HE2 LYS A 4 18.688 0.896 5.369 1.00 54.12 H new ATOM 0 HE3 LYS A 4 17.799 -0.053 6.544 1.00 54.12 H new ATOM 0 HZ1 LYS A 4 19.609 1.151 7.577 1.00 5.21 H new ATOM 0 HZ2 LYS A 4 19.881 -0.521 7.699 1.00 5.21 H new ATOM 0 HZ3 LYS A 4 20.742 0.399 6.560 1.00 5.21 H new ATOM 71 N ASN A 5 17.832 -1.404 0.554 1.00 75.21 N ATOM 72 CA ASN A 5 17.380 -0.486 -0.531 1.00 73.32 C ATOM 73 C ASN A 5 18.209 -0.695 -1.834 1.00 72.23 C ATOM 74 O ASN A 5 18.378 0.232 -2.630 1.00 65.21 O ATOM 75 CB ASN A 5 17.397 1.019 -0.085 1.00 51.44 C ATOM 76 CG ASN A 5 16.556 1.304 1.164 1.00 32.32 C ATOM 77 OD1 ASN A 5 17.183 1.319 2.328 1.00 13.01 O flip ATOM 78 ND2 ASN A 5 15.352 1.529 1.085 1.00 70.43 N flip ATOM 0 H ASN A 5 17.117 -2.075 0.835 1.00 75.21 H new ATOM 0 HA ASN A 5 16.343 -0.742 -0.746 1.00 73.32 H new ATOM 0 HB2 ASN A 5 18.427 1.320 0.106 1.00 51.44 H new ATOM 0 HB3 ASN A 5 17.031 1.636 -0.906 1.00 51.44 H new ATOM 0 HD21 ASN A 5 14.889 1.512 0.177 1.00 70.43 H new ATOM 0 HD22 ASN A 5 14.815 1.733 1.928 1.00 70.43 H new ATOM 85 N VAL A 6 18.704 -1.933 -2.051 1.00 22.43 N ATOM 86 CA VAL A 6 19.479 -2.290 -3.269 1.00 0.42 C ATOM 87 C VAL A 6 18.606 -2.295 -4.553 1.00 70.44 C ATOM 88 O VAL A 6 19.113 -2.004 -5.642 1.00 21.12 O ATOM 89 CB VAL A 6 20.225 -3.677 -3.119 1.00 23.05 C ATOM 90 CG1 VAL A 6 21.392 -3.581 -2.105 1.00 50.14 C ATOM 91 CG2 VAL A 6 19.246 -4.810 -2.726 1.00 74.24 C ATOM 0 H VAL A 6 18.582 -2.707 -1.398 1.00 22.43 H new ATOM 0 HA VAL A 6 20.229 -1.506 -3.375 1.00 0.42 H new ATOM 0 HB VAL A 6 20.645 -3.925 -4.094 1.00 23.05 H new ATOM 0 HG11 VAL A 6 21.885 -4.550 -2.024 1.00 50.14 H new ATOM 0 HG12 VAL A 6 22.111 -2.836 -2.447 1.00 50.14 H new ATOM 0 HG13 VAL A 6 21.003 -3.289 -1.129 1.00 50.14 H new ATOM 0 HG21 VAL A 6 19.794 -5.748 -2.632 1.00 74.24 H new ATOM 0 HG22 VAL A 6 18.774 -4.569 -1.774 1.00 74.24 H new ATOM 0 HG23 VAL A 6 18.480 -4.912 -3.495 1.00 74.24 H new ATOM 101 N ILE A 7 17.303 -2.626 -4.418 1.00 43.54 N ATOM 102 CA ILE A 7 16.349 -2.600 -5.556 1.00 11.04 C ATOM 103 C ILE A 7 15.865 -1.142 -5.791 1.00 71.34 C ATOM 104 O ILE A 7 15.515 -0.441 -4.831 1.00 43.51 O ATOM 105 CB ILE A 7 15.075 -3.535 -5.344 1.00 31.03 C ATOM 106 CG1 ILE A 7 15.429 -4.964 -4.775 1.00 31.11 C ATOM 107 CG2 ILE A 7 14.263 -3.669 -6.663 1.00 43.34 C ATOM 108 CD1 ILE A 7 15.569 -5.043 -3.260 1.00 72.24 C ATOM 0 H ILE A 7 16.885 -2.915 -3.534 1.00 43.54 H new ATOM 0 HA ILE A 7 16.890 -2.986 -6.420 1.00 11.04 H new ATOM 0 HB ILE A 7 14.465 -3.041 -4.588 1.00 31.03 H new ATOM 0 HG12 ILE A 7 14.655 -5.664 -5.089 1.00 31.11 H new ATOM 0 HG13 ILE A 7 16.363 -5.297 -5.228 1.00 31.11 H new ATOM 0 HG21 ILE A 7 13.399 -4.311 -6.494 1.00 43.34 H new ATOM 0 HG22 ILE A 7 13.926 -2.684 -6.984 1.00 43.34 H new ATOM 0 HG23 ILE A 7 14.895 -4.106 -7.436 1.00 43.34 H new ATOM 0 HD11 ILE A 7 15.813 -6.065 -2.970 1.00 72.24 H new ATOM 0 HD12 ILE A 7 16.364 -4.373 -2.933 1.00 72.24 H new ATOM 0 HD13 ILE A 7 14.630 -4.747 -2.792 1.00 72.24 H new ATOM 120 N LYS A 8 15.868 -0.688 -7.060 1.00 1.22 N ATOM 121 CA LYS A 8 15.352 0.659 -7.425 1.00 12.23 C ATOM 122 C LYS A 8 13.798 0.688 -7.445 1.00 44.31 C ATOM 123 O LYS A 8 13.136 -0.333 -7.655 1.00 43.42 O ATOM 124 CB LYS A 8 15.936 1.139 -8.795 1.00 54.43 C ATOM 125 CG LYS A 8 17.391 1.685 -8.747 1.00 2.01 C ATOM 126 CD LYS A 8 18.457 0.619 -8.409 1.00 32.21 C ATOM 127 CE LYS A 8 19.871 1.215 -8.283 1.00 74.11 C ATOM 128 NZ LYS A 8 20.294 1.946 -9.512 1.00 72.34 N ATOM 0 H LYS A 8 16.219 -1.227 -7.851 1.00 1.22 H new ATOM 0 HA LYS A 8 15.687 1.354 -6.655 1.00 12.23 H new ATOM 0 HB2 LYS A 8 15.902 0.306 -9.497 1.00 54.43 H new ATOM 0 HB3 LYS A 8 15.287 1.918 -9.194 1.00 54.43 H new ATOM 0 HG2 LYS A 8 17.632 2.130 -9.712 1.00 2.01 H new ATOM 0 HG3 LYS A 8 17.443 2.483 -8.006 1.00 2.01 H new ATOM 0 HD2 LYS A 8 18.190 0.127 -7.474 1.00 32.21 H new ATOM 0 HD3 LYS A 8 18.458 -0.148 -9.184 1.00 32.21 H new ATOM 0 HE2 LYS A 8 19.901 1.895 -7.431 1.00 74.11 H new ATOM 0 HE3 LYS A 8 20.582 0.415 -8.077 1.00 74.11 H new ATOM 0 HZ1 LYS A 8 21.287 2.240 -9.417 1.00 72.34 H new ATOM 0 HZ2 LYS A 8 20.196 1.322 -10.338 1.00 72.34 H new ATOM 0 HZ3 LYS A 8 19.695 2.786 -9.640 1.00 72.34 H new ATOM 142 N LYS A 9 13.234 1.899 -7.273 1.00 75.42 N ATOM 143 CA LYS A 9 11.770 2.127 -7.133 1.00 63.04 C ATOM 144 C LYS A 9 11.116 2.413 -8.520 1.00 35.15 C ATOM 145 O LYS A 9 10.100 3.120 -8.597 1.00 5.14 O ATOM 146 CB LYS A 9 11.503 3.328 -6.160 1.00 31.51 C ATOM 147 CG LYS A 9 11.892 3.123 -4.666 1.00 32.33 C ATOM 148 CD LYS A 9 13.420 2.988 -4.410 1.00 15.15 C ATOM 149 CE LYS A 9 14.237 4.206 -4.892 1.00 43.34 C ATOM 150 NZ LYS A 9 13.879 5.456 -4.176 1.00 60.14 N ATOM 0 H LYS A 9 13.781 2.759 -7.226 1.00 75.42 H new ATOM 0 HA LYS A 9 11.322 1.223 -6.721 1.00 63.04 H new ATOM 0 HB2 LYS A 9 12.045 4.196 -6.536 1.00 31.51 H new ATOM 0 HB3 LYS A 9 10.441 3.571 -6.204 1.00 31.51 H new ATOM 0 HG2 LYS A 9 11.512 3.964 -4.086 1.00 32.33 H new ATOM 0 HG3 LYS A 9 11.394 2.228 -4.293 1.00 32.33 H new ATOM 0 HD2 LYS A 9 13.590 2.846 -3.343 1.00 15.15 H new ATOM 0 HD3 LYS A 9 13.787 2.093 -4.913 1.00 15.15 H new ATOM 0 HE2 LYS A 9 15.299 4.004 -4.753 1.00 43.34 H new ATOM 0 HE3 LYS A 9 14.077 4.346 -5.961 1.00 43.34 H new ATOM 0 HZ1 LYS A 9 14.457 6.241 -4.538 1.00 60.14 H new ATOM 0 HZ2 LYS A 9 12.872 5.668 -4.329 1.00 60.14 H new ATOM 0 HZ3 LYS A 9 14.057 5.336 -3.158 1.00 60.14 H new ATOM 164 N LYS A 10 11.715 1.839 -9.597 1.00 64.11 N ATOM 165 CA LYS A 10 11.316 2.045 -11.018 1.00 54.12 C ATOM 166 C LYS A 10 11.651 3.485 -11.507 1.00 2.01 C ATOM 167 O LYS A 10 12.540 3.675 -12.355 1.00 44.22 O ATOM 168 CB LYS A 10 9.815 1.672 -11.258 1.00 43.11 C ATOM 169 CG LYS A 10 9.337 1.795 -12.723 1.00 35.03 C ATOM 170 CD LYS A 10 7.883 1.312 -12.919 1.00 34.25 C ATOM 171 CE LYS A 10 7.422 1.394 -14.387 1.00 64.44 C ATOM 172 NZ LYS A 10 6.013 0.945 -14.554 1.00 35.04 N ATOM 0 H LYS A 10 12.508 1.205 -9.500 1.00 64.11 H new ATOM 0 HA LYS A 10 11.910 1.361 -11.624 1.00 54.12 H new ATOM 0 HB2 LYS A 10 9.653 0.647 -10.924 1.00 43.11 H new ATOM 0 HB3 LYS A 10 9.193 2.313 -10.634 1.00 43.11 H new ATOM 0 HG2 LYS A 10 9.416 2.835 -13.040 1.00 35.03 H new ATOM 0 HG3 LYS A 10 9.998 1.214 -13.366 1.00 35.03 H new ATOM 0 HD2 LYS A 10 7.797 0.282 -12.572 1.00 34.25 H new ATOM 0 HD3 LYS A 10 7.218 1.914 -12.299 1.00 34.25 H new ATOM 0 HE2 LYS A 10 7.520 2.420 -14.741 1.00 64.44 H new ATOM 0 HE3 LYS A 10 8.074 0.779 -15.007 1.00 64.44 H new ATOM 0 HZ1 LYS A 10 5.742 1.016 -15.556 1.00 35.04 H new ATOM 0 HZ2 LYS A 10 5.924 -0.043 -14.240 1.00 35.04 H new ATOM 0 HZ3 LYS A 10 5.387 1.548 -13.983 1.00 35.04 H new ATOM 186 N GLY A 11 10.945 4.487 -10.957 1.00 11.34 N ATOM 187 CA GLY A 11 11.201 5.910 -11.257 1.00 1.45 C ATOM 188 C GLY A 11 11.300 6.770 -9.995 1.00 31.31 C ATOM 189 O GLY A 11 11.214 6.249 -8.873 1.00 71.22 O ATOM 0 H GLY A 11 10.184 4.337 -10.295 1.00 11.34 H new ATOM 0 HA2 GLY A 11 12.128 5.997 -11.825 1.00 1.45 H new ATOM 0 HA3 GLY A 11 10.402 6.293 -11.891 1.00 1.45 H new ATOM 193 N GLU A 12 11.495 8.090 -10.174 1.00 42.43 N ATOM 194 CA GLU A 12 11.563 9.052 -9.052 1.00 42.35 C ATOM 195 C GLU A 12 10.142 9.397 -8.557 1.00 43.11 C ATOM 196 O GLU A 12 9.424 10.169 -9.202 1.00 73.23 O ATOM 197 CB GLU A 12 12.302 10.347 -9.483 1.00 3.12 C ATOM 198 CG GLU A 12 13.692 10.125 -10.125 1.00 65.33 C ATOM 199 CD GLU A 12 14.385 11.442 -10.529 1.00 44.23 C ATOM 200 OE1 GLU A 12 14.010 12.029 -11.569 1.00 14.23 O ATOM 201 OE2 GLU A 12 15.297 11.902 -9.804 1.00 13.00 O ATOM 0 H GLU A 12 11.609 8.520 -11.092 1.00 42.43 H new ATOM 0 HA GLU A 12 12.121 8.588 -8.238 1.00 42.35 H new ATOM 0 HB2 GLU A 12 11.674 10.887 -10.191 1.00 3.12 H new ATOM 0 HB3 GLU A 12 12.420 10.988 -8.609 1.00 3.12 H new ATOM 0 HG2 GLU A 12 14.329 9.586 -9.423 1.00 65.33 H new ATOM 0 HG3 GLU A 12 13.583 9.493 -11.006 1.00 65.33 H new ATOM 208 N ILE A 13 9.728 8.787 -7.439 1.00 45.32 N ATOM 209 CA ILE A 13 8.387 9.005 -6.856 1.00 20.21 C ATOM 210 C ILE A 13 8.411 10.174 -5.823 1.00 13.05 C ATOM 211 O ILE A 13 8.926 10.044 -4.706 1.00 14.31 O ATOM 212 CB ILE A 13 7.809 7.659 -6.252 1.00 2.11 C ATOM 213 CG1 ILE A 13 8.802 7.008 -5.230 1.00 3.41 C ATOM 214 CG2 ILE A 13 7.456 6.658 -7.393 1.00 1.43 C ATOM 215 CD1 ILE A 13 8.338 5.694 -4.623 1.00 33.43 C ATOM 0 H ILE A 13 10.305 8.131 -6.912 1.00 45.32 H new ATOM 0 HA ILE A 13 7.705 9.308 -7.650 1.00 20.21 H new ATOM 0 HB ILE A 13 6.897 7.905 -5.708 1.00 2.11 H new ATOM 0 HG12 ILE A 13 9.756 6.842 -5.731 1.00 3.41 H new ATOM 0 HG13 ILE A 13 8.985 7.718 -4.423 1.00 3.41 H new ATOM 0 HG21 ILE A 13 7.060 5.739 -6.961 1.00 1.43 H new ATOM 0 HG22 ILE A 13 6.707 7.103 -8.048 1.00 1.43 H new ATOM 0 HG23 ILE A 13 8.353 6.431 -7.969 1.00 1.43 H new ATOM 0 HD11 ILE A 13 9.095 5.326 -3.930 1.00 33.43 H new ATOM 0 HD12 ILE A 13 7.402 5.851 -4.088 1.00 33.43 H new ATOM 0 HD13 ILE A 13 8.185 4.961 -5.415 1.00 33.43 H new ATOM 227 N ILE A 14 7.871 11.338 -6.243 1.00 72.44 N ATOM 228 CA ILE A 14 7.935 12.609 -5.472 1.00 44.14 C ATOM 229 C ILE A 14 6.992 12.601 -4.236 1.00 51.55 C ATOM 230 O ILE A 14 7.227 13.314 -3.254 1.00 64.44 O ATOM 231 CB ILE A 14 7.636 13.842 -6.421 1.00 33.25 C ATOM 232 CG1 ILE A 14 8.621 13.821 -7.645 1.00 64.24 C ATOM 233 CG2 ILE A 14 7.715 15.200 -5.666 1.00 15.42 C ATOM 234 CD1 ILE A 14 8.456 14.969 -8.632 1.00 72.35 C ATOM 0 H ILE A 14 7.375 11.428 -7.130 1.00 72.44 H new ATOM 0 HA ILE A 14 8.948 12.707 -5.083 1.00 44.14 H new ATOM 0 HB ILE A 14 6.612 13.746 -6.782 1.00 33.25 H new ATOM 0 HG12 ILE A 14 9.644 13.832 -7.268 1.00 64.24 H new ATOM 0 HG13 ILE A 14 8.489 12.881 -8.181 1.00 64.24 H new ATOM 0 HG21 ILE A 14 7.503 16.014 -6.359 1.00 15.42 H new ATOM 0 HG22 ILE A 14 6.983 15.210 -4.858 1.00 15.42 H new ATOM 0 HG23 ILE A 14 8.715 15.328 -5.251 1.00 15.42 H new ATOM 0 HD11 ILE A 14 9.181 14.862 -9.439 1.00 72.35 H new ATOM 0 HD12 ILE A 14 7.448 14.951 -9.046 1.00 72.35 H new ATOM 0 HD13 ILE A 14 8.621 15.916 -8.119 1.00 72.35 H new ATOM 246 N ILE A 15 5.947 11.763 -4.286 1.00 22.33 N ATOM 247 CA ILE A 15 5.024 11.545 -3.142 1.00 22.22 C ATOM 248 C ILE A 15 5.782 10.893 -1.946 1.00 0.14 C ATOM 249 O ILE A 15 6.613 10.000 -2.154 1.00 32.41 O ATOM 250 CB ILE A 15 3.802 10.642 -3.572 1.00 70.53 C ATOM 251 CG1 ILE A 15 3.062 11.276 -4.794 1.00 62.12 C ATOM 252 CG2 ILE A 15 2.814 10.403 -2.393 1.00 41.31 C ATOM 253 CD1 ILE A 15 1.974 10.408 -5.400 1.00 22.43 C ATOM 0 H ILE A 15 5.711 11.215 -5.113 1.00 22.33 H new ATOM 0 HA ILE A 15 4.640 12.515 -2.826 1.00 22.22 H new ATOM 0 HB ILE A 15 4.197 9.669 -3.865 1.00 70.53 H new ATOM 0 HG12 ILE A 15 2.621 12.223 -4.482 1.00 62.12 H new ATOM 0 HG13 ILE A 15 3.796 11.506 -5.566 1.00 62.12 H new ATOM 0 HG21 ILE A 15 1.988 9.777 -2.732 1.00 41.31 H new ATOM 0 HG22 ILE A 15 3.336 9.904 -1.576 1.00 41.31 H new ATOM 0 HG23 ILE A 15 2.425 11.360 -2.045 1.00 41.31 H new ATOM 0 HD11 ILE A 15 1.518 10.931 -6.241 1.00 22.43 H new ATOM 0 HD12 ILE A 15 2.408 9.471 -5.748 1.00 22.43 H new ATOM 0 HD13 ILE A 15 1.214 10.199 -4.647 1.00 22.43 H new ATOM 265 N LEU A 16 5.498 11.360 -0.708 1.00 23.41 N ATOM 266 CA LEU A 16 6.186 10.880 0.520 1.00 11.31 C ATOM 267 C LEU A 16 5.909 9.375 0.794 1.00 1.23 C ATOM 268 O LEU A 16 4.844 9.010 1.290 1.00 72.03 O ATOM 269 CB LEU A 16 5.785 11.744 1.761 1.00 43.11 C ATOM 270 CG LEU A 16 6.428 13.170 1.876 1.00 31.50 C ATOM 271 CD1 LEU A 16 5.913 14.142 0.795 1.00 33.14 C ATOM 272 CD2 LEU A 16 6.228 13.761 3.294 1.00 64.34 C ATOM 0 H LEU A 16 4.792 12.074 -0.529 1.00 23.41 H new ATOM 0 HA LEU A 16 7.257 10.991 0.348 1.00 11.31 H new ATOM 0 HB2 LEU A 16 4.701 11.861 1.756 1.00 43.11 H new ATOM 0 HB3 LEU A 16 6.041 11.184 2.660 1.00 43.11 H new ATOM 0 HG LEU A 16 7.497 13.044 1.703 1.00 31.50 H new ATOM 0 HD11 LEU A 16 6.391 15.113 0.922 1.00 33.14 H new ATOM 0 HD12 LEU A 16 6.151 13.747 -0.193 1.00 33.14 H new ATOM 0 HD13 LEU A 16 4.833 14.254 0.891 1.00 33.14 H new ATOM 0 HD21 LEU A 16 6.684 14.750 3.344 1.00 64.34 H new ATOM 0 HD22 LEU A 16 5.162 13.842 3.507 1.00 64.34 H new ATOM 0 HD23 LEU A 16 6.697 13.108 4.030 1.00 64.34 H new ATOM 284 N TRP A 17 6.873 8.512 0.438 1.00 11.13 N ATOM 285 CA TRP A 17 6.802 7.055 0.691 1.00 2.22 C ATOM 286 C TRP A 17 8.044 6.589 1.471 1.00 54.25 C ATOM 287 O TRP A 17 9.178 6.769 1.011 1.00 13.33 O ATOM 288 CB TRP A 17 6.680 6.275 -0.647 1.00 32.53 C ATOM 289 CG TRP A 17 5.360 6.484 -1.355 1.00 10.32 C ATOM 290 CD1 TRP A 17 5.118 7.190 -2.499 1.00 50.35 C ATOM 291 CD2 TRP A 17 4.091 5.965 -0.940 1.00 55.13 C ATOM 292 NE1 TRP A 17 3.786 7.131 -2.816 1.00 3.31 N ATOM 293 CE2 TRP A 17 3.133 6.384 -1.878 1.00 73.11 C ATOM 294 CE3 TRP A 17 3.681 5.182 0.139 1.00 51.33 C ATOM 295 CZ2 TRP A 17 1.789 6.039 -1.775 1.00 20.41 C ATOM 296 CZ3 TRP A 17 2.356 4.844 0.246 1.00 51.14 C ATOM 297 CH2 TRP A 17 1.420 5.267 -0.707 1.00 20.00 C ATOM 0 H TRP A 17 7.729 8.801 -0.035 1.00 11.13 H new ATOM 0 HA TRP A 17 5.915 6.850 1.291 1.00 2.22 H new ATOM 0 HB2 TRP A 17 7.490 6.580 -1.310 1.00 32.53 H new ATOM 0 HB3 TRP A 17 6.812 5.211 -0.450 1.00 32.53 H new ATOM 0 HD1 TRP A 17 5.867 7.718 -3.070 1.00 50.35 H new ATOM 0 HE1 TRP A 17 3.351 7.575 -3.625 1.00 3.31 H new ATOM 0 HE3 TRP A 17 4.395 4.848 0.878 1.00 51.33 H new ATOM 0 HZ2 TRP A 17 1.067 6.367 -2.508 1.00 20.41 H new ATOM 0 HZ3 TRP A 17 2.028 4.241 1.080 1.00 51.14 H new ATOM 0 HH2 TRP A 17 0.385 4.978 -0.596 1.00 20.00 H new ATOM 308 N THR A 18 7.825 5.998 2.660 1.00 2.11 N ATOM 309 CA THR A 18 8.918 5.493 3.537 1.00 4.23 C ATOM 310 C THR A 18 8.665 4.034 3.963 1.00 62.41 C ATOM 311 O THR A 18 7.563 3.507 3.776 1.00 14.42 O ATOM 312 CB THR A 18 9.110 6.376 4.825 1.00 13.11 C ATOM 313 OG1 THR A 18 7.913 6.383 5.620 1.00 40.02 O ATOM 314 CG2 THR A 18 9.504 7.826 4.482 1.00 30.41 C ATOM 0 H THR A 18 6.892 5.854 3.046 1.00 2.11 H new ATOM 0 HA THR A 18 9.830 5.548 2.942 1.00 4.23 H new ATOM 0 HB THR A 18 9.925 5.928 5.394 1.00 13.11 H new ATOM 0 HG1 THR A 18 7.135 6.514 5.039 1.00 40.02 H new ATOM 0 HG21 THR A 18 9.625 8.397 5.402 1.00 30.41 H new ATOM 0 HG22 THR A 18 10.443 7.827 3.928 1.00 30.41 H new ATOM 0 HG23 THR A 18 8.723 8.281 3.873 1.00 30.41 H new ATOM 322 N ARG A 19 9.704 3.426 4.589 1.00 20.11 N ATOM 323 CA ARG A 19 9.731 1.989 4.997 1.00 4.22 C ATOM 324 C ARG A 19 8.504 1.562 5.853 1.00 24.55 C ATOM 325 O ARG A 19 8.103 0.397 5.836 1.00 70.12 O ATOM 326 CB ARG A 19 11.049 1.704 5.781 1.00 1.32 C ATOM 327 CG ARG A 19 11.187 2.508 7.100 1.00 72.54 C ATOM 328 CD ARG A 19 12.459 2.186 7.912 1.00 23.22 C ATOM 329 NE ARG A 19 12.458 2.890 9.210 1.00 4.22 N ATOM 330 CZ ARG A 19 13.375 2.783 10.155 1.00 13.22 C ATOM 331 NH1 ARG A 19 14.441 2.059 10.004 1.00 41.25 N ATOM 332 NH2 ARG A 19 13.213 3.422 11.264 1.00 40.41 N ATOM 0 H ARG A 19 10.561 3.923 4.830 1.00 20.11 H new ATOM 0 HA ARG A 19 9.686 1.397 4.083 1.00 4.22 H new ATOM 0 HB2 ARG A 19 11.100 0.640 6.010 1.00 1.32 H new ATOM 0 HB3 ARG A 19 11.899 1.933 5.138 1.00 1.32 H new ATOM 0 HG2 ARG A 19 11.180 3.572 6.865 1.00 72.54 H new ATOM 0 HG3 ARG A 19 10.314 2.314 7.723 1.00 72.54 H new ATOM 0 HD2 ARG A 19 12.524 1.111 8.079 1.00 23.22 H new ATOM 0 HD3 ARG A 19 13.341 2.474 7.340 1.00 23.22 H new ATOM 0 HE ARG A 19 11.676 3.518 9.394 1.00 4.22 H new ATOM 0 HH11 ARG A 19 14.592 1.549 9.134 1.00 41.25 H new ATOM 0 HH12 ARG A 19 15.128 2.000 10.756 1.00 41.25 H new ATOM 0 HH21 ARG A 19 12.385 4.001 11.403 1.00 40.41 H new ATOM 0 HH22 ARG A 19 13.913 3.348 12.002 1.00 40.41 H new ATOM 346 N ASN A 20 7.939 2.512 6.624 1.00 5.24 N ATOM 347 CA ASN A 20 6.742 2.276 7.452 1.00 75.31 C ATOM 348 C ASN A 20 5.448 2.283 6.603 1.00 34.43 C ATOM 349 O ASN A 20 4.603 1.400 6.767 1.00 31.43 O ATOM 350 CB ASN A 20 6.666 3.323 8.590 1.00 32.12 C ATOM 351 CG ASN A 20 7.845 3.207 9.560 1.00 43.04 C ATOM 352 OD1 ASN A 20 8.890 3.827 9.379 1.00 13.53 O ATOM 353 ND2 ASN A 20 7.693 2.397 10.587 1.00 24.35 N ATOM 0 H ASN A 20 8.300 3.464 6.690 1.00 5.24 H new ATOM 0 HA ASN A 20 6.829 1.284 7.895 1.00 75.31 H new ATOM 0 HB2 ASN A 20 6.648 4.324 8.160 1.00 32.12 H new ATOM 0 HB3 ASN A 20 5.732 3.195 9.138 1.00 32.12 H new ATOM 0 HD21 ASN A 20 8.453 2.273 11.255 1.00 24.35 H new ATOM 0 HD22 ASN A 20 6.815 1.894 10.714 1.00 24.35 H new ATOM 360 N ASP A 21 5.316 3.267 5.679 1.00 41.31 N ATOM 361 CA ASP A 21 4.106 3.415 4.816 1.00 54.12 C ATOM 362 C ASP A 21 3.866 2.157 3.954 1.00 33.31 C ATOM 363 O ASP A 21 2.756 1.607 3.925 1.00 35.13 O ATOM 364 CB ASP A 21 4.229 4.651 3.881 1.00 1.33 C ATOM 365 CG ASP A 21 4.385 5.984 4.630 1.00 41.53 C ATOM 366 OD1 ASP A 21 3.554 6.279 5.512 1.00 11.53 O ATOM 367 OD2 ASP A 21 5.336 6.739 4.345 1.00 33.01 O ATOM 0 H ASP A 21 6.032 3.974 5.508 1.00 41.31 H new ATOM 0 HA ASP A 21 3.259 3.552 5.488 1.00 54.12 H new ATOM 0 HB2 ASP A 21 5.087 4.513 3.223 1.00 1.33 H new ATOM 0 HB3 ASP A 21 3.345 4.703 3.246 1.00 1.33 H new ATOM 372 N ASP A 22 4.935 1.710 3.271 1.00 32.53 N ATOM 373 CA ASP A 22 4.883 0.554 2.362 1.00 2.05 C ATOM 374 C ASP A 22 4.664 -0.787 3.125 1.00 63.24 C ATOM 375 O ASP A 22 4.019 -1.711 2.608 1.00 12.15 O ATOM 376 CB ASP A 22 6.148 0.523 1.462 1.00 71.31 C ATOM 377 CG ASP A 22 7.503 0.459 2.198 1.00 14.31 C ATOM 378 OD1 ASP A 22 7.747 -0.502 2.962 1.00 32.20 O ATOM 379 OD2 ASP A 22 8.354 1.346 1.978 1.00 41.00 O ATOM 0 H ASP A 22 5.858 2.140 3.334 1.00 32.53 H new ATOM 0 HA ASP A 22 4.013 0.670 1.715 1.00 2.05 H new ATOM 0 HB2 ASP A 22 6.076 -0.339 0.799 1.00 71.31 H new ATOM 0 HB3 ASP A 22 6.142 1.412 0.831 1.00 71.31 H new ATOM 384 N ARG A 23 5.202 -0.870 4.360 1.00 10.13 N ATOM 385 CA ARG A 23 4.977 -2.016 5.269 1.00 73.42 C ATOM 386 C ARG A 23 3.476 -2.134 5.670 1.00 72.11 C ATOM 387 O ARG A 23 2.948 -3.242 5.778 1.00 32.12 O ATOM 388 CB ARG A 23 5.886 -1.894 6.529 1.00 23.24 C ATOM 389 CG ARG A 23 5.748 -3.052 7.548 1.00 11.05 C ATOM 390 CD ARG A 23 6.688 -2.921 8.767 1.00 75.44 C ATOM 391 NE ARG A 23 6.499 -4.034 9.717 1.00 41.00 N ATOM 392 CZ ARG A 23 7.021 -4.122 10.925 1.00 43.12 C ATOM 393 NH1 ARG A 23 7.780 -3.194 11.416 1.00 50.12 N ATOM 394 NH2 ARG A 23 6.761 -5.161 11.644 1.00 54.33 N ATOM 0 H ARG A 23 5.803 -0.147 4.755 1.00 10.13 H new ATOM 0 HA ARG A 23 5.245 -2.929 4.738 1.00 73.42 H new ATOM 0 HB2 ARG A 23 6.925 -1.837 6.205 1.00 23.24 H new ATOM 0 HB3 ARG A 23 5.657 -0.956 7.034 1.00 23.24 H new ATOM 0 HG2 ARG A 23 4.717 -3.095 7.898 1.00 11.05 H new ATOM 0 HG3 ARG A 23 5.952 -3.996 7.042 1.00 11.05 H new ATOM 0 HD2 ARG A 23 7.724 -2.902 8.429 1.00 75.44 H new ATOM 0 HD3 ARG A 23 6.500 -1.974 9.273 1.00 75.44 H new ATOM 0 HE ARG A 23 5.909 -4.808 9.411 1.00 41.00 H new ATOM 0 HH11 ARG A 23 7.991 -2.362 10.864 1.00 50.12 H new ATOM 0 HH12 ARG A 23 8.167 -3.295 12.354 1.00 50.12 H new ATOM 0 HH21 ARG A 23 6.160 -5.898 11.276 1.00 54.33 H new ATOM 0 HH22 ARG A 23 7.156 -5.245 12.580 1.00 54.33 H new ATOM 408 N VAL A 24 2.802 -0.975 5.870 1.00 73.13 N ATOM 409 CA VAL A 24 1.343 -0.920 6.180 1.00 34.41 C ATOM 410 C VAL A 24 0.491 -1.350 4.958 1.00 61.24 C ATOM 411 O VAL A 24 -0.526 -2.041 5.120 1.00 23.03 O ATOM 412 CB VAL A 24 0.907 0.515 6.679 1.00 54.14 C ATOM 413 CG1 VAL A 24 -0.619 0.607 6.951 1.00 54.31 C ATOM 414 CG2 VAL A 24 1.694 0.914 7.943 1.00 53.54 C ATOM 0 H VAL A 24 3.245 -0.057 5.823 1.00 73.13 H new ATOM 0 HA VAL A 24 1.162 -1.627 6.990 1.00 34.41 H new ATOM 0 HB VAL A 24 1.139 1.213 5.875 1.00 54.14 H new ATOM 0 HG11 VAL A 24 -0.868 1.612 7.291 1.00 54.31 H new ATOM 0 HG12 VAL A 24 -1.166 0.389 6.034 1.00 54.31 H new ATOM 0 HG13 VAL A 24 -0.896 -0.115 7.719 1.00 54.31 H new ATOM 0 HG21 VAL A 24 1.379 1.905 8.270 1.00 53.54 H new ATOM 0 HG22 VAL A 24 1.500 0.191 8.736 1.00 53.54 H new ATOM 0 HG23 VAL A 24 2.760 0.928 7.718 1.00 53.54 H new ATOM 424 N ILE A 25 0.928 -0.952 3.733 1.00 23.34 N ATOM 425 CA ILE A 25 0.287 -1.408 2.470 1.00 11.54 C ATOM 426 C ILE A 25 0.272 -2.954 2.405 1.00 24.40 C ATOM 427 O ILE A 25 -0.794 -3.571 2.323 1.00 12.44 O ATOM 428 CB ILE A 25 1.006 -0.837 1.182 1.00 22.40 C ATOM 429 CG1 ILE A 25 0.960 0.723 1.155 1.00 31.10 C ATOM 430 CG2 ILE A 25 0.387 -1.422 -0.123 1.00 73.22 C ATOM 431 CD1 ILE A 25 1.729 1.355 -0.003 1.00 54.15 C ATOM 0 H ILE A 25 1.717 -0.320 3.594 1.00 23.34 H new ATOM 0 HA ILE A 25 -0.732 -1.022 2.479 1.00 11.54 H new ATOM 0 HB ILE A 25 2.049 -1.148 1.230 1.00 22.40 H new ATOM 0 HG12 ILE A 25 -0.081 1.043 1.102 1.00 31.10 H new ATOM 0 HG13 ILE A 25 1.363 1.103 2.094 1.00 31.10 H new ATOM 0 HG21 ILE A 25 0.905 -1.008 -0.988 1.00 73.22 H new ATOM 0 HG22 ILE A 25 0.493 -2.507 -0.121 1.00 73.22 H new ATOM 0 HG23 ILE A 25 -0.670 -1.160 -0.173 1.00 73.22 H new ATOM 0 HD11 ILE A 25 1.645 2.440 0.054 1.00 54.15 H new ATOM 0 HD12 ILE A 25 2.779 1.069 0.058 1.00 54.15 H new ATOM 0 HD13 ILE A 25 1.313 1.008 -0.949 1.00 54.15 H new ATOM 443 N LEU A 26 1.472 -3.554 2.494 1.00 51.43 N ATOM 444 CA LEU A 26 1.658 -5.021 2.473 1.00 41.51 C ATOM 445 C LEU A 26 0.922 -5.728 3.635 1.00 21.35 C ATOM 446 O LEU A 26 0.387 -6.821 3.451 1.00 51.00 O ATOM 447 CB LEU A 26 3.170 -5.359 2.518 1.00 43.23 C ATOM 448 CG LEU A 26 3.992 -4.888 1.283 1.00 23.02 C ATOM 449 CD1 LEU A 26 5.504 -5.111 1.486 1.00 41.21 C ATOM 450 CD2 LEU A 26 3.488 -5.569 -0.013 1.00 72.32 C ATOM 0 H LEU A 26 2.346 -3.035 2.583 1.00 51.43 H new ATOM 0 HA LEU A 26 1.222 -5.391 1.545 1.00 41.51 H new ATOM 0 HB2 LEU A 26 3.600 -4.910 3.413 1.00 43.23 H new ATOM 0 HB3 LEU A 26 3.282 -6.439 2.618 1.00 43.23 H new ATOM 0 HG LEU A 26 3.838 -3.814 1.176 1.00 23.02 H new ATOM 0 HD11 LEU A 26 6.044 -4.770 0.603 1.00 41.21 H new ATOM 0 HD12 LEU A 26 5.841 -4.549 2.357 1.00 41.21 H new ATOM 0 HD13 LEU A 26 5.698 -6.172 1.642 1.00 41.21 H new ATOM 0 HD21 LEU A 26 4.080 -5.222 -0.860 1.00 72.32 H new ATOM 0 HD22 LEU A 26 3.589 -6.650 0.081 1.00 72.32 H new ATOM 0 HD23 LEU A 26 2.440 -5.315 -0.174 1.00 72.32 H new ATOM 462 N LEU A 27 0.896 -5.081 4.812 1.00 54.32 N ATOM 463 CA LEU A 27 0.250 -5.634 6.027 1.00 3.33 C ATOM 464 C LEU A 27 -1.255 -5.892 5.777 1.00 72.22 C ATOM 465 O LEU A 27 -1.707 -7.034 5.840 1.00 31.24 O ATOM 466 CB LEU A 27 0.459 -4.675 7.237 1.00 15.23 C ATOM 467 CG LEU A 27 -0.053 -5.174 8.626 1.00 24.14 C ATOM 468 CD1 LEU A 27 0.632 -6.498 9.043 1.00 23.21 C ATOM 469 CD2 LEU A 27 0.139 -4.080 9.710 1.00 20.44 C ATOM 0 H LEU A 27 1.319 -4.164 4.954 1.00 54.32 H new ATOM 0 HA LEU A 27 0.718 -6.589 6.264 1.00 3.33 H new ATOM 0 HB2 LEU A 27 1.525 -4.464 7.323 1.00 15.23 H new ATOM 0 HB3 LEU A 27 -0.036 -3.730 7.012 1.00 15.23 H new ATOM 0 HG LEU A 27 -1.120 -5.376 8.532 1.00 24.14 H new ATOM 0 HD11 LEU A 27 0.251 -6.815 10.014 1.00 23.21 H new ATOM 0 HD12 LEU A 27 0.419 -7.267 8.301 1.00 23.21 H new ATOM 0 HD13 LEU A 27 1.709 -6.346 9.108 1.00 23.21 H new ATOM 0 HD21 LEU A 27 -0.225 -4.450 10.669 1.00 20.44 H new ATOM 0 HD22 LEU A 27 1.197 -3.833 9.794 1.00 20.44 H new ATOM 0 HD23 LEU A 27 -0.421 -3.188 9.430 1.00 20.44 H new ATOM 481 N GLU A 28 -1.998 -4.827 5.420 1.00 44.11 N ATOM 482 CA GLU A 28 -3.454 -4.902 5.154 1.00 51.12 C ATOM 483 C GLU A 28 -3.781 -5.660 3.835 1.00 71.33 C ATOM 484 O GLU A 28 -4.871 -6.209 3.696 1.00 53.20 O ATOM 485 CB GLU A 28 -4.070 -3.477 5.119 1.00 40.42 C ATOM 486 CG GLU A 28 -3.857 -2.641 6.401 1.00 33.13 C ATOM 487 CD GLU A 28 -4.523 -3.234 7.664 1.00 32.32 C ATOM 488 OE1 GLU A 28 -5.776 -3.225 7.748 1.00 51.01 O ATOM 489 OE2 GLU A 28 -3.804 -3.704 8.577 1.00 23.54 O ATOM 0 H GLU A 28 -1.610 -3.890 5.307 1.00 44.11 H new ATOM 0 HA GLU A 28 -3.898 -5.471 5.971 1.00 51.12 H new ATOM 0 HB2 GLU A 28 -3.645 -2.934 4.275 1.00 40.42 H new ATOM 0 HB3 GLU A 28 -5.141 -3.565 4.934 1.00 40.42 H new ATOM 0 HG2 GLU A 28 -2.787 -2.541 6.582 1.00 33.13 H new ATOM 0 HG3 GLU A 28 -4.248 -1.637 6.235 1.00 33.13 H new ATOM 496 N CYS A 29 -2.837 -5.682 2.872 1.00 20.13 N ATOM 497 CA CYS A 29 -3.026 -6.401 1.573 1.00 5.54 C ATOM 498 C CYS A 29 -2.931 -7.942 1.732 1.00 54.24 C ATOM 499 O CYS A 29 -3.647 -8.681 1.068 1.00 61.42 O ATOM 500 CB CYS A 29 -2.022 -5.904 0.504 1.00 53.34 C ATOM 501 SG CYS A 29 -2.344 -4.223 -0.089 1.00 14.42 S ATOM 0 H CYS A 29 -1.935 -5.215 2.959 1.00 20.13 H new ATOM 0 HA CYS A 29 -4.036 -6.170 1.235 1.00 5.54 H new ATOM 0 HB2 CYS A 29 -1.015 -5.944 0.920 1.00 53.34 H new ATOM 0 HB3 CYS A 29 -2.044 -6.587 -0.345 1.00 53.34 H new ATOM 0 HG CYS A 29 -1.821 -3.364 0.736 1.00 14.42 H new ATOM 507 N GLN A 30 -2.040 -8.423 2.608 1.00 44.13 N ATOM 508 CA GLN A 30 -1.914 -9.878 2.911 1.00 55.24 C ATOM 509 C GLN A 30 -2.987 -10.328 3.939 1.00 3.32 C ATOM 510 O GLN A 30 -3.454 -11.470 3.922 1.00 71.22 O ATOM 511 CB GLN A 30 -0.483 -10.180 3.425 1.00 42.53 C ATOM 512 CG GLN A 30 0.631 -9.826 2.411 1.00 62.34 C ATOM 513 CD GLN A 30 2.046 -9.978 2.974 1.00 61.41 C ATOM 514 OE1 GLN A 30 2.677 -11.024 2.857 1.00 13.21 O ATOM 515 NE2 GLN A 30 2.543 -8.945 3.626 1.00 70.24 N ATOM 0 H GLN A 30 -1.388 -7.834 3.127 1.00 44.13 H new ATOM 0 HA GLN A 30 -2.085 -10.446 1.996 1.00 55.24 H new ATOM 0 HB2 GLN A 30 -0.313 -9.624 4.347 1.00 42.53 H new ATOM 0 HB3 GLN A 30 -0.412 -11.239 3.674 1.00 42.53 H new ATOM 0 HG2 GLN A 30 0.528 -10.465 1.534 1.00 62.34 H new ATOM 0 HG3 GLN A 30 0.491 -8.798 2.075 1.00 62.34 H new ATOM 0 HE21 GLN A 30 2.000 -8.086 3.710 1.00 70.24 H new ATOM 0 HE22 GLN A 30 3.471 -9.005 4.046 1.00 70.24 H new ATOM 524 N LYS A 31 -3.363 -9.393 4.817 1.00 62.00 N ATOM 525 CA LYS A 31 -4.386 -9.577 5.874 1.00 4.51 C ATOM 526 C LYS A 31 -5.831 -9.643 5.300 1.00 70.44 C ATOM 527 O LYS A 31 -6.619 -10.520 5.667 1.00 53.34 O ATOM 528 CB LYS A 31 -4.237 -8.385 6.855 1.00 45.40 C ATOM 529 CG LYS A 31 -5.298 -8.233 7.963 1.00 3.12 C ATOM 530 CD LYS A 31 -5.131 -6.878 8.690 1.00 65.43 C ATOM 531 CE LYS A 31 -6.225 -6.574 9.716 1.00 34.40 C ATOM 532 NZ LYS A 31 -6.044 -5.217 10.306 1.00 34.25 N ATOM 0 H LYS A 31 -2.958 -8.457 4.820 1.00 62.00 H new ATOM 0 HA LYS A 31 -4.226 -10.530 6.378 1.00 4.51 H new ATOM 0 HB2 LYS A 31 -3.261 -8.464 7.334 1.00 45.40 H new ATOM 0 HB3 LYS A 31 -4.231 -7.466 6.268 1.00 45.40 H new ATOM 0 HG2 LYS A 31 -6.296 -8.300 7.530 1.00 3.12 H new ATOM 0 HG3 LYS A 31 -5.205 -9.050 8.678 1.00 3.12 H new ATOM 0 HD2 LYS A 31 -4.164 -6.866 9.193 1.00 65.43 H new ATOM 0 HD3 LYS A 31 -5.114 -6.080 7.947 1.00 65.43 H new ATOM 0 HE2 LYS A 31 -7.203 -6.639 9.240 1.00 34.40 H new ATOM 0 HE3 LYS A 31 -6.205 -7.324 10.507 1.00 34.40 H new ATOM 0 HZ1 LYS A 31 -5.749 -5.307 11.299 1.00 34.25 H new ATOM 0 HZ2 LYS A 31 -5.314 -4.702 9.774 1.00 34.25 H new ATOM 0 HZ3 LYS A 31 -6.942 -4.695 10.257 1.00 34.25 H new ATOM 546 N ARG A 32 -6.157 -8.702 4.397 1.00 23.03 N ATOM 547 CA ARG A 32 -7.543 -8.476 3.894 1.00 10.45 C ATOM 548 C ARG A 32 -7.690 -8.789 2.384 1.00 4.53 C ATOM 549 O ARG A 32 -8.792 -9.100 1.919 1.00 44.34 O ATOM 550 CB ARG A 32 -7.935 -6.997 4.165 1.00 13.54 C ATOM 551 CG ARG A 32 -8.017 -6.624 5.666 1.00 30.14 C ATOM 552 CD ARG A 32 -7.862 -5.113 5.925 1.00 34.33 C ATOM 553 NE ARG A 32 -8.803 -4.289 5.150 1.00 43.40 N ATOM 554 CZ ARG A 32 -8.908 -2.981 5.240 1.00 55.14 C ATOM 555 NH1 ARG A 32 -8.182 -2.297 6.075 1.00 11.22 N ATOM 556 NH2 ARG A 32 -9.749 -2.360 4.484 1.00 43.03 N ATOM 0 H ARG A 32 -5.470 -8.069 3.987 1.00 23.03 H new ATOM 0 HA ARG A 32 -8.208 -9.159 4.423 1.00 10.45 H new ATOM 0 HB2 ARG A 32 -7.208 -6.346 3.680 1.00 13.54 H new ATOM 0 HB3 ARG A 32 -8.901 -6.798 3.700 1.00 13.54 H new ATOM 0 HG2 ARG A 32 -8.975 -6.958 6.065 1.00 30.14 H new ATOM 0 HG3 ARG A 32 -7.240 -7.161 6.210 1.00 30.14 H new ATOM 0 HD2 ARG A 32 -8.008 -4.917 6.987 1.00 34.33 H new ATOM 0 HD3 ARG A 32 -6.843 -4.813 5.683 1.00 34.33 H new ATOM 0 HE ARG A 32 -9.420 -4.768 4.494 1.00 43.40 H new ATOM 0 HH11 ARG A 32 -7.513 -2.774 6.679 1.00 11.22 H new ATOM 0 HH12 ARG A 32 -8.282 -1.283 6.126 1.00 11.22 H new ATOM 0 HH21 ARG A 32 -10.325 -2.883 3.824 1.00 43.03 H new ATOM 0 HH22 ARG A 32 -9.838 -1.346 4.546 1.00 43.03 H new ATOM 570 N GLY A 33 -6.584 -8.704 1.623 1.00 12.23 N ATOM 571 CA GLY A 33 -6.625 -8.850 0.152 1.00 41.35 C ATOM 572 C GLY A 33 -6.379 -7.511 -0.564 1.00 12.04 C ATOM 573 O GLY A 33 -7.037 -6.522 -0.224 1.00 31.35 O ATOM 0 H GLY A 33 -5.651 -8.535 1.999 1.00 12.23 H new ATOM 0 HA2 GLY A 33 -5.873 -9.573 -0.162 1.00 41.35 H new ATOM 0 HA3 GLY A 33 -7.595 -9.249 -0.146 1.00 41.35 H new ATOM 577 N PRO A 34 -5.431 -7.425 -1.559 1.00 44.32 N ATOM 578 CA PRO A 34 -5.149 -6.163 -2.289 1.00 64.32 C ATOM 579 C PRO A 34 -6.262 -5.800 -3.310 1.00 3.11 C ATOM 580 O PRO A 34 -6.195 -6.145 -4.498 1.00 21.42 O ATOM 581 CB PRO A 34 -3.786 -6.452 -2.969 1.00 62.33 C ATOM 582 CG PRO A 34 -3.791 -7.933 -3.201 1.00 3.10 C ATOM 583 CD PRO A 34 -4.557 -8.535 -2.036 1.00 20.23 C ATOM 0 HA PRO A 34 -5.119 -5.293 -1.634 1.00 64.32 H new ATOM 0 HB2 PRO A 34 -3.685 -5.904 -3.906 1.00 62.33 H new ATOM 0 HB3 PRO A 34 -2.953 -6.152 -2.333 1.00 62.33 H new ATOM 0 HG2 PRO A 34 -4.268 -8.178 -4.150 1.00 3.10 H new ATOM 0 HG3 PRO A 34 -2.775 -8.325 -3.244 1.00 3.10 H new ATOM 0 HD2 PRO A 34 -5.145 -9.398 -2.349 1.00 20.23 H new ATOM 0 HD3 PRO A 34 -3.883 -8.877 -1.250 1.00 20.23 H new ATOM 591 N SER A 35 -7.305 -5.120 -2.808 1.00 50.32 N ATOM 592 CA SER A 35 -8.450 -4.658 -3.628 1.00 72.35 C ATOM 593 C SER A 35 -8.912 -3.253 -3.171 1.00 45.53 C ATOM 594 O SER A 35 -8.336 -2.683 -2.235 1.00 75.45 O ATOM 595 CB SER A 35 -9.605 -5.690 -3.558 1.00 2.40 C ATOM 596 OG SER A 35 -10.632 -5.390 -4.490 1.00 4.53 O ATOM 0 H SER A 35 -7.384 -4.872 -1.822 1.00 50.32 H new ATOM 0 HA SER A 35 -8.135 -4.577 -4.668 1.00 72.35 H new ATOM 0 HB2 SER A 35 -9.214 -6.688 -3.756 1.00 2.40 H new ATOM 0 HB3 SER A 35 -10.020 -5.704 -2.550 1.00 2.40 H new ATOM 0 HG SER A 35 -11.384 -4.969 -4.024 1.00 4.53 H new ATOM 602 N SER A 36 -9.962 -2.711 -3.822 1.00 12.34 N ATOM 603 CA SER A 36 -10.380 -1.291 -3.669 1.00 51.25 C ATOM 604 C SER A 36 -10.738 -0.889 -2.218 1.00 64.14 C ATOM 605 O SER A 36 -10.447 0.233 -1.802 1.00 74.14 O ATOM 606 CB SER A 36 -11.572 -0.986 -4.595 1.00 11.31 C ATOM 607 OG SER A 36 -12.749 -1.664 -4.172 1.00 32.43 O ATOM 0 H SER A 36 -10.547 -3.240 -4.469 1.00 12.34 H new ATOM 0 HA SER A 36 -9.511 -0.696 -3.949 1.00 51.25 H new ATOM 0 HB2 SER A 36 -11.756 0.088 -4.611 1.00 11.31 H new ATOM 0 HB3 SER A 36 -11.327 -1.283 -5.615 1.00 11.31 H new ATOM 0 HG SER A 36 -13.487 -1.448 -4.779 1.00 32.43 H new ATOM 613 N LYS A 37 -11.360 -1.808 -1.457 1.00 54.52 N ATOM 614 CA LYS A 37 -11.791 -1.544 -0.056 1.00 2.22 C ATOM 615 C LYS A 37 -10.579 -1.421 0.909 1.00 24.55 C ATOM 616 O LYS A 37 -10.646 -0.725 1.932 1.00 22.24 O ATOM 617 CB LYS A 37 -12.751 -2.666 0.428 1.00 12.23 C ATOM 618 CG LYS A 37 -14.036 -2.839 -0.421 1.00 73.00 C ATOM 619 CD LYS A 37 -14.942 -1.584 -0.407 1.00 5.31 C ATOM 620 CE LYS A 37 -16.208 -1.746 -1.272 1.00 52.13 C ATOM 621 NZ LYS A 37 -17.052 -0.520 -1.247 1.00 63.52 N ATOM 0 H LYS A 37 -11.580 -2.749 -1.784 1.00 54.52 H new ATOM 0 HA LYS A 37 -12.317 -0.589 -0.046 1.00 2.22 H new ATOM 0 HB2 LYS A 37 -12.208 -3.611 0.434 1.00 12.23 H new ATOM 0 HB3 LYS A 37 -13.039 -2.457 1.458 1.00 12.23 H new ATOM 0 HG2 LYS A 37 -13.757 -3.068 -1.450 1.00 73.00 H new ATOM 0 HG3 LYS A 37 -14.601 -3.693 -0.046 1.00 73.00 H new ATOM 0 HD2 LYS A 37 -15.236 -1.366 0.620 1.00 5.31 H new ATOM 0 HD3 LYS A 37 -14.372 -0.727 -0.764 1.00 5.31 H new ATOM 0 HE2 LYS A 37 -15.921 -1.969 -2.299 1.00 52.13 H new ATOM 0 HE3 LYS A 37 -16.789 -2.595 -0.912 1.00 52.13 H new ATOM 0 HZ1 LYS A 37 -17.894 -0.666 -1.840 1.00 63.52 H new ATOM 0 HZ2 LYS A 37 -17.347 -0.321 -0.270 1.00 63.52 H new ATOM 0 HZ3 LYS A 37 -16.506 0.285 -1.614 1.00 63.52 H new ATOM 635 N THR A 38 -9.469 -2.093 0.555 1.00 63.05 N ATOM 636 CA THR A 38 -8.226 -2.087 1.351 1.00 10.22 C ATOM 637 C THR A 38 -7.366 -0.866 0.975 1.00 52.12 C ATOM 638 O THR A 38 -6.859 -0.168 1.851 1.00 14.54 O ATOM 639 CB THR A 38 -7.415 -3.420 1.155 1.00 40.25 C ATOM 640 OG1 THR A 38 -8.187 -4.538 1.644 1.00 43.11 O ATOM 641 CG2 THR A 38 -6.049 -3.407 1.868 1.00 11.42 C ATOM 0 H THR A 38 -9.407 -2.657 -0.293 1.00 63.05 H new ATOM 0 HA THR A 38 -8.495 -2.019 2.405 1.00 10.22 H new ATOM 0 HB THR A 38 -7.226 -3.514 0.086 1.00 40.25 H new ATOM 0 HG1 THR A 38 -7.942 -5.347 1.147 1.00 43.11 H new ATOM 0 HG21 THR A 38 -5.539 -4.355 1.694 1.00 11.42 H new ATOM 0 HG22 THR A 38 -5.442 -2.591 1.476 1.00 11.42 H new ATOM 0 HG23 THR A 38 -6.199 -3.266 2.938 1.00 11.42 H new ATOM 649 N PHE A 39 -7.253 -0.591 -0.339 1.00 33.25 N ATOM 650 CA PHE A 39 -6.484 0.562 -0.868 1.00 35.24 C ATOM 651 C PHE A 39 -7.144 1.918 -0.505 1.00 75.11 C ATOM 652 O PHE A 39 -6.452 2.931 -0.379 1.00 1.22 O ATOM 653 CB PHE A 39 -6.316 0.444 -2.405 1.00 22.43 C ATOM 654 CG PHE A 39 -5.415 -0.702 -2.873 1.00 73.51 C ATOM 655 CD1 PHE A 39 -4.165 -0.913 -2.291 1.00 71.11 C ATOM 656 CD2 PHE A 39 -5.805 -1.548 -3.911 1.00 42.43 C ATOM 657 CE1 PHE A 39 -3.342 -1.932 -2.725 1.00 61.23 C ATOM 658 CE2 PHE A 39 -4.984 -2.569 -4.342 1.00 10.24 C ATOM 659 CZ PHE A 39 -3.749 -2.762 -3.749 1.00 64.11 C ATOM 0 H PHE A 39 -7.690 -1.158 -1.066 1.00 33.25 H new ATOM 0 HA PHE A 39 -5.501 0.537 -0.397 1.00 35.24 H new ATOM 0 HB2 PHE A 39 -7.301 0.318 -2.854 1.00 22.43 H new ATOM 0 HB3 PHE A 39 -5.911 1.382 -2.784 1.00 22.43 H new ATOM 0 HD1 PHE A 39 -3.836 -0.269 -1.489 1.00 71.11 H new ATOM 0 HD2 PHE A 39 -6.765 -1.401 -4.385 1.00 42.43 H new ATOM 0 HE1 PHE A 39 -2.377 -2.080 -2.262 1.00 61.23 H new ATOM 0 HE2 PHE A 39 -5.305 -3.218 -5.143 1.00 10.24 H new ATOM 0 HZ PHE A 39 -3.105 -3.561 -4.087 1.00 64.11 H new ATOM 669 N ALA A 40 -8.486 1.922 -0.357 1.00 24.23 N ATOM 670 CA ALA A 40 -9.241 3.105 0.131 1.00 75.50 C ATOM 671 C ALA A 40 -8.892 3.423 1.604 1.00 15.33 C ATOM 672 O ALA A 40 -8.755 4.594 1.985 1.00 24.44 O ATOM 673 CB ALA A 40 -10.752 2.879 -0.019 1.00 45.44 C ATOM 0 H ALA A 40 -9.075 1.117 -0.569 1.00 24.23 H new ATOM 0 HA ALA A 40 -8.951 3.960 -0.479 1.00 75.50 H new ATOM 0 HB1 ALA A 40 -11.289 3.756 0.343 1.00 45.44 H new ATOM 0 HB2 ALA A 40 -10.993 2.715 -1.069 1.00 45.44 H new ATOM 0 HB3 ALA A 40 -11.049 2.006 0.562 1.00 45.44 H new ATOM 679 N TYR A 41 -8.746 2.357 2.424 1.00 11.30 N ATOM 680 CA TYR A 41 -8.306 2.487 3.829 1.00 41.21 C ATOM 681 C TYR A 41 -6.854 3.010 3.900 1.00 62.14 C ATOM 682 O TYR A 41 -6.586 3.971 4.599 1.00 10.24 O ATOM 683 CB TYR A 41 -8.420 1.138 4.592 1.00 31.22 C ATOM 684 CG TYR A 41 -7.920 1.225 6.054 1.00 42.42 C ATOM 685 CD1 TYR A 41 -8.596 2.009 6.991 1.00 62.34 C ATOM 686 CD2 TYR A 41 -6.760 0.557 6.480 1.00 54.43 C ATOM 687 CE1 TYR A 41 -8.140 2.126 8.290 1.00 21.22 C ATOM 688 CE2 TYR A 41 -6.308 0.667 7.784 1.00 44.25 C ATOM 689 CZ TYR A 41 -7.000 1.456 8.682 1.00 34.43 C ATOM 690 OH TYR A 41 -6.549 1.573 9.984 1.00 72.20 O ATOM 0 H TYR A 41 -8.927 1.396 2.134 1.00 11.30 H new ATOM 0 HA TYR A 41 -8.968 3.206 4.311 1.00 41.21 H new ATOM 0 HB2 TYR A 41 -9.460 0.812 4.589 1.00 31.22 H new ATOM 0 HB3 TYR A 41 -7.846 0.378 4.062 1.00 31.22 H new ATOM 0 HD1 TYR A 41 -9.492 2.534 6.695 1.00 62.34 H new ATOM 0 HD2 TYR A 41 -6.211 -0.053 5.778 1.00 54.43 H new ATOM 0 HE1 TYR A 41 -8.676 2.741 8.998 1.00 21.22 H new ATOM 0 HE2 TYR A 41 -5.419 0.139 8.097 1.00 44.25 H new ATOM 0 HH TYR A 41 -5.736 1.038 10.098 1.00 72.20 H new ATOM 700 N LEU A 42 -5.943 2.358 3.154 1.00 11.41 N ATOM 701 CA LEU A 42 -4.497 2.713 3.092 1.00 51.12 C ATOM 702 C LEU A 42 -4.261 4.159 2.588 1.00 63.31 C ATOM 703 O LEU A 42 -3.294 4.815 2.983 1.00 32.32 O ATOM 704 CB LEU A 42 -3.767 1.699 2.183 1.00 41.52 C ATOM 705 CG LEU A 42 -3.764 0.227 2.703 1.00 0.41 C ATOM 706 CD1 LEU A 42 -3.270 -0.762 1.626 1.00 63.45 C ATOM 707 CD2 LEU A 42 -2.939 0.108 4.000 1.00 75.35 C ATOM 0 H LEU A 42 -6.185 1.559 2.567 1.00 11.41 H new ATOM 0 HA LEU A 42 -4.096 2.668 4.104 1.00 51.12 H new ATOM 0 HB2 LEU A 42 -4.231 1.719 1.197 1.00 41.52 H new ATOM 0 HB3 LEU A 42 -2.735 2.025 2.056 1.00 41.52 H new ATOM 0 HG LEU A 42 -4.794 -0.045 2.932 1.00 0.41 H new ATOM 0 HD11 LEU A 42 -3.283 -1.775 2.029 1.00 63.45 H new ATOM 0 HD12 LEU A 42 -3.924 -0.709 0.756 1.00 63.45 H new ATOM 0 HD13 LEU A 42 -2.253 -0.502 1.332 1.00 63.45 H new ATOM 0 HD21 LEU A 42 -2.950 -0.926 4.345 1.00 75.35 H new ATOM 0 HD22 LEU A 42 -1.911 0.415 3.807 1.00 75.35 H new ATOM 0 HD23 LEU A 42 -3.372 0.751 4.767 1.00 75.35 H new ATOM 719 N ALA A 43 -5.166 4.633 1.719 1.00 32.10 N ATOM 720 CA ALA A 43 -5.190 6.035 1.256 1.00 35.22 C ATOM 721 C ALA A 43 -5.520 6.998 2.420 1.00 12.44 C ATOM 722 O ALA A 43 -4.747 7.896 2.734 1.00 72.15 O ATOM 723 CB ALA A 43 -6.211 6.187 0.119 1.00 44.21 C ATOM 0 H ALA A 43 -5.904 4.057 1.315 1.00 32.10 H new ATOM 0 HA ALA A 43 -4.200 6.296 0.882 1.00 35.22 H new ATOM 0 HB1 ALA A 43 -6.226 7.223 -0.220 1.00 44.21 H new ATOM 0 HB2 ALA A 43 -5.931 5.537 -0.710 1.00 44.21 H new ATOM 0 HB3 ALA A 43 -7.201 5.909 0.480 1.00 44.21 H new ATOM 729 N ALA A 44 -6.663 6.760 3.081 1.00 3.34 N ATOM 730 CA ALA A 44 -7.121 7.558 4.248 1.00 21.10 C ATOM 731 C ALA A 44 -6.172 7.420 5.479 1.00 50.01 C ATOM 732 O ALA A 44 -6.114 8.305 6.335 1.00 11.45 O ATOM 733 CB ALA A 44 -8.559 7.153 4.612 1.00 2.24 C ATOM 0 H ALA A 44 -7.304 6.008 2.827 1.00 3.34 H new ATOM 0 HA ALA A 44 -7.099 8.610 3.964 1.00 21.10 H new ATOM 0 HB1 ALA A 44 -8.896 7.738 5.468 1.00 2.24 H new ATOM 0 HB2 ALA A 44 -9.216 7.341 3.763 1.00 2.24 H new ATOM 0 HB3 ALA A 44 -8.586 6.093 4.864 1.00 2.24 H new ATOM 739 N LYS A 45 -5.453 6.285 5.551 1.00 24.21 N ATOM 740 CA LYS A 45 -4.544 5.945 6.674 1.00 61.44 C ATOM 741 C LYS A 45 -3.212 6.729 6.578 1.00 73.44 C ATOM 742 O LYS A 45 -2.780 7.382 7.536 1.00 14.12 O ATOM 743 CB LYS A 45 -4.261 4.413 6.654 1.00 21.23 C ATOM 744 CG LYS A 45 -3.396 3.879 7.816 1.00 74.22 C ATOM 745 CD LYS A 45 -4.106 3.984 9.185 1.00 32.34 C ATOM 746 CE LYS A 45 -3.213 3.540 10.352 1.00 15.14 C ATOM 747 NZ LYS A 45 -2.658 2.170 10.156 1.00 35.44 N ATOM 0 H LYS A 45 -5.483 5.567 4.827 1.00 24.21 H new ATOM 0 HA LYS A 45 -5.027 6.224 7.610 1.00 61.44 H new ATOM 0 HB2 LYS A 45 -5.215 3.885 6.663 1.00 21.23 H new ATOM 0 HB3 LYS A 45 -3.768 4.165 5.714 1.00 21.23 H new ATOM 0 HG2 LYS A 45 -3.139 2.837 7.623 1.00 74.22 H new ATOM 0 HG3 LYS A 45 -2.460 4.437 7.853 1.00 74.22 H new ATOM 0 HD2 LYS A 45 -4.423 5.014 9.347 1.00 32.34 H new ATOM 0 HD3 LYS A 45 -5.008 3.372 9.170 1.00 32.34 H new ATOM 0 HE2 LYS A 45 -2.392 4.248 10.467 1.00 15.14 H new ATOM 0 HE3 LYS A 45 -3.789 3.566 11.277 1.00 15.14 H new ATOM 0 HZ1 LYS A 45 -2.161 1.870 11.019 1.00 35.44 H new ATOM 0 HZ2 LYS A 45 -3.433 1.507 9.954 1.00 35.44 H new ATOM 0 HZ3 LYS A 45 -1.992 2.176 9.358 1.00 35.44 H new ATOM 761 N LEU A 46 -2.576 6.644 5.398 1.00 4.40 N ATOM 762 CA LEU A 46 -1.250 7.249 5.123 1.00 21.43 C ATOM 763 C LEU A 46 -1.377 8.691 4.552 1.00 11.04 C ATOM 764 O LEU A 46 -0.356 9.349 4.306 1.00 24.44 O ATOM 765 CB LEU A 46 -0.486 6.328 4.129 1.00 53.53 C ATOM 766 CG LEU A 46 -0.340 4.829 4.555 1.00 21.22 C ATOM 767 CD1 LEU A 46 0.259 3.977 3.416 1.00 53.33 C ATOM 768 CD2 LEU A 46 0.487 4.693 5.853 1.00 61.15 C ATOM 0 H LEU A 46 -2.967 6.150 4.596 1.00 4.40 H new ATOM 0 HA LEU A 46 -0.697 7.333 6.059 1.00 21.43 H new ATOM 0 HB2 LEU A 46 -0.996 6.363 3.167 1.00 53.53 H new ATOM 0 HB3 LEU A 46 0.511 6.740 3.976 1.00 53.53 H new ATOM 0 HG LEU A 46 -1.340 4.446 4.760 1.00 21.22 H new ATOM 0 HD11 LEU A 46 0.347 2.941 3.744 1.00 53.33 H new ATOM 0 HD12 LEU A 46 -0.392 4.027 2.543 1.00 53.33 H new ATOM 0 HD13 LEU A 46 1.245 4.360 3.155 1.00 53.33 H new ATOM 0 HD21 LEU A 46 0.570 3.640 6.123 1.00 61.15 H new ATOM 0 HD22 LEU A 46 1.483 5.107 5.695 1.00 61.15 H new ATOM 0 HD23 LEU A 46 -0.008 5.236 6.658 1.00 61.15 H new ATOM 780 N ASP A 47 -2.640 9.151 4.346 1.00 13.34 N ATOM 781 CA ASP A 47 -2.990 10.481 3.765 1.00 12.10 C ATOM 782 C ASP A 47 -2.616 10.558 2.244 1.00 71.41 C ATOM 783 O ASP A 47 -2.259 11.613 1.709 1.00 21.01 O ATOM 784 CB ASP A 47 -2.378 11.644 4.615 1.00 33.44 C ATOM 785 CG ASP A 47 -3.022 13.020 4.342 1.00 21.10 C ATOM 786 OD1 ASP A 47 -4.242 13.161 4.573 1.00 22.53 O ATOM 787 OD2 ASP A 47 -2.323 13.956 3.891 1.00 41.42 O ATOM 0 H ASP A 47 -3.463 8.597 4.584 1.00 13.34 H new ATOM 0 HA ASP A 47 -4.072 10.605 3.812 1.00 12.10 H new ATOM 0 HB2 ASP A 47 -2.488 11.405 5.673 1.00 33.44 H new ATOM 0 HB3 ASP A 47 -1.309 11.707 4.412 1.00 33.44 H new ATOM 792 N LYS A 48 -2.737 9.402 1.557 1.00 14.12 N ATOM 793 CA LYS A 48 -2.491 9.260 0.093 1.00 71.44 C ATOM 794 C LYS A 48 -3.832 9.126 -0.680 1.00 1.41 C ATOM 795 O LYS A 48 -4.903 9.397 -0.132 1.00 74.33 O ATOM 796 CB LYS A 48 -1.609 8.001 -0.161 1.00 73.43 C ATOM 797 CG LYS A 48 -0.415 7.850 0.801 1.00 60.31 C ATOM 798 CD LYS A 48 0.554 9.052 0.792 1.00 62.33 C ATOM 799 CE LYS A 48 1.690 8.881 1.812 1.00 1.12 C ATOM 800 NZ LYS A 48 2.490 10.119 1.957 1.00 32.13 N ATOM 0 H LYS A 48 -3.011 8.526 2.003 1.00 14.12 H new ATOM 0 HA LYS A 48 -1.976 10.151 -0.265 1.00 71.44 H new ATOM 0 HB2 LYS A 48 -2.236 7.113 -0.083 1.00 73.43 H new ATOM 0 HB3 LYS A 48 -1.233 8.037 -1.183 1.00 73.43 H new ATOM 0 HG2 LYS A 48 -0.793 7.709 1.814 1.00 60.31 H new ATOM 0 HG3 LYS A 48 0.138 6.948 0.538 1.00 60.31 H new ATOM 0 HD2 LYS A 48 0.977 9.170 -0.206 1.00 62.33 H new ATOM 0 HD3 LYS A 48 0.002 9.965 1.014 1.00 62.33 H new ATOM 0 HE2 LYS A 48 1.271 8.603 2.779 1.00 1.12 H new ATOM 0 HE3 LYS A 48 2.339 8.063 1.499 1.00 1.12 H new ATOM 0 HZ1 LYS A 48 3.497 9.900 1.818 1.00 32.13 H new ATOM 0 HZ2 LYS A 48 2.185 10.814 1.246 1.00 32.13 H new ATOM 0 HZ3 LYS A 48 2.350 10.513 2.909 1.00 32.13 H new ATOM 814 N ASN A 49 -3.758 8.726 -1.970 1.00 61.23 N ATOM 815 CA ASN A 49 -4.946 8.375 -2.797 1.00 4.53 C ATOM 816 C ASN A 49 -4.856 6.883 -3.256 1.00 12.32 C ATOM 817 O ASN A 49 -3.740 6.386 -3.442 1.00 62.14 O ATOM 818 CB ASN A 49 -5.044 9.329 -4.016 1.00 42.01 C ATOM 819 CG ASN A 49 -5.113 10.818 -3.655 1.00 43.11 C ATOM 820 OD1 ASN A 49 -4.639 11.670 -4.405 1.00 72.40 O ATOM 821 ND2 ASN A 49 -5.718 11.159 -2.531 1.00 41.11 N ATOM 0 H ASN A 49 -2.874 8.636 -2.472 1.00 61.23 H new ATOM 0 HA ASN A 49 -5.850 8.493 -2.199 1.00 4.53 H new ATOM 0 HB2 ASN A 49 -4.181 9.164 -4.661 1.00 42.01 H new ATOM 0 HB3 ASN A 49 -5.929 9.067 -4.596 1.00 42.01 H new ATOM 0 HD21 ASN A 49 -5.798 12.143 -2.273 1.00 41.11 H new ATOM 0 HD22 ASN A 49 -6.105 10.439 -1.921 1.00 41.11 H new ATOM 828 N PRO A 50 -6.018 6.151 -3.447 1.00 42.43 N ATOM 829 CA PRO A 50 -6.037 4.671 -3.720 1.00 72.23 C ATOM 830 C PRO A 50 -5.117 4.184 -4.882 1.00 73.22 C ATOM 831 O PRO A 50 -4.454 3.151 -4.745 1.00 2.34 O ATOM 832 CB PRO A 50 -7.529 4.383 -4.028 1.00 32.30 C ATOM 833 CG PRO A 50 -8.273 5.448 -3.282 1.00 14.12 C ATOM 834 CD PRO A 50 -7.409 6.691 -3.386 1.00 21.43 C ATOM 0 HA PRO A 50 -5.634 4.127 -2.866 1.00 72.23 H new ATOM 0 HB2 PRO A 50 -7.731 4.432 -5.098 1.00 32.30 H new ATOM 0 HB3 PRO A 50 -7.819 3.387 -3.694 1.00 32.30 H new ATOM 0 HG2 PRO A 50 -9.258 5.617 -3.717 1.00 14.12 H new ATOM 0 HG3 PRO A 50 -8.428 5.163 -2.241 1.00 14.12 H new ATOM 0 HD2 PRO A 50 -7.652 7.274 -4.274 1.00 21.43 H new ATOM 0 HD3 PRO A 50 -7.546 7.347 -2.527 1.00 21.43 H new ATOM 842 N ASN A 51 -5.083 4.928 -6.012 1.00 5.33 N ATOM 843 CA ASN A 51 -4.199 4.595 -7.169 1.00 14.24 C ATOM 844 C ASN A 51 -2.702 4.727 -6.794 1.00 72.43 C ATOM 845 O ASN A 51 -1.885 3.891 -7.189 1.00 74.31 O ATOM 846 CB ASN A 51 -4.513 5.494 -8.396 1.00 73.14 C ATOM 847 CG ASN A 51 -5.892 5.242 -9.014 1.00 1.14 C ATOM 848 OD1 ASN A 51 -6.397 4.127 -9.004 1.00 4.24 O ATOM 849 ND2 ASN A 51 -6.523 6.274 -9.553 1.00 44.01 N ATOM 0 H ASN A 51 -5.653 5.762 -6.153 1.00 5.33 H new ATOM 0 HA ASN A 51 -4.401 3.557 -7.434 1.00 14.24 H new ATOM 0 HB2 ASN A 51 -4.446 6.539 -8.095 1.00 73.14 H new ATOM 0 HB3 ASN A 51 -3.750 5.333 -9.157 1.00 73.14 H new ATOM 0 HD21 ASN A 51 -7.446 6.147 -9.969 1.00 44.01 H new ATOM 0 HD22 ASN A 51 -6.086 7.196 -9.552 1.00 44.01 H new ATOM 856 N GLN A 52 -2.373 5.772 -6.008 1.00 1.30 N ATOM 857 CA GLN A 52 -0.990 6.051 -5.552 1.00 63.44 C ATOM 858 C GLN A 52 -0.477 4.939 -4.603 1.00 22.42 C ATOM 859 O GLN A 52 0.720 4.653 -4.552 1.00 5.21 O ATOM 860 CB GLN A 52 -0.929 7.429 -4.838 1.00 2.24 C ATOM 861 CG GLN A 52 -1.516 8.599 -5.661 1.00 44.12 C ATOM 862 CD GLN A 52 -1.533 9.935 -4.903 1.00 52.42 C ATOM 863 OE1 GLN A 52 -1.634 9.974 -3.677 1.00 72.04 O ATOM 864 NE2 GLN A 52 -1.467 11.038 -5.623 1.00 60.22 N ATOM 0 H GLN A 52 -3.057 6.449 -5.670 1.00 1.30 H new ATOM 0 HA GLN A 52 -0.344 6.072 -6.430 1.00 63.44 H new ATOM 0 HB2 GLN A 52 -1.467 7.359 -3.893 1.00 2.24 H new ATOM 0 HB3 GLN A 52 0.110 7.655 -4.597 1.00 2.24 H new ATOM 0 HG2 GLN A 52 -0.935 8.717 -6.575 1.00 44.12 H new ATOM 0 HG3 GLN A 52 -2.533 8.347 -5.960 1.00 44.12 H new ATOM 0 HE21 GLN A 52 -1.384 10.980 -6.638 1.00 60.22 H new ATOM 0 HE22 GLN A 52 -1.499 11.949 -5.165 1.00 60.22 H new ATOM 873 N VAL A 53 -1.407 4.336 -3.848 1.00 23.33 N ATOM 874 CA VAL A 53 -1.121 3.188 -2.964 1.00 44.44 C ATOM 875 C VAL A 53 -0.933 1.883 -3.788 1.00 72.12 C ATOM 876 O VAL A 53 0.035 1.140 -3.586 1.00 13.40 O ATOM 877 CB VAL A 53 -2.284 2.993 -1.914 1.00 65.23 C ATOM 878 CG1 VAL A 53 -2.034 1.771 -1.002 1.00 71.32 C ATOM 879 CG2 VAL A 53 -2.499 4.277 -1.071 1.00 65.45 C ATOM 0 H VAL A 53 -2.384 4.629 -3.831 1.00 23.33 H new ATOM 0 HA VAL A 53 -0.193 3.401 -2.433 1.00 44.44 H new ATOM 0 HB VAL A 53 -3.197 2.800 -2.477 1.00 65.23 H new ATOM 0 HG11 VAL A 53 -2.857 1.671 -0.294 1.00 71.32 H new ATOM 0 HG12 VAL A 53 -1.968 0.870 -1.611 1.00 71.32 H new ATOM 0 HG13 VAL A 53 -1.100 1.909 -0.457 1.00 71.32 H new ATOM 0 HG21 VAL A 53 -3.306 4.113 -0.357 1.00 65.45 H new ATOM 0 HG22 VAL A 53 -1.582 4.517 -0.533 1.00 65.45 H new ATOM 0 HG23 VAL A 53 -2.761 5.105 -1.730 1.00 65.45 H new ATOM 889 N SER A 54 -1.865 1.649 -4.733 1.00 31.30 N ATOM 890 CA SER A 54 -1.935 0.404 -5.546 1.00 62.42 C ATOM 891 C SER A 54 -0.706 0.222 -6.473 1.00 50.13 C ATOM 892 O SER A 54 -0.238 -0.901 -6.676 1.00 74.35 O ATOM 893 CB SER A 54 -3.240 0.394 -6.383 1.00 53.53 C ATOM 894 OG SER A 54 -3.389 -0.809 -7.132 1.00 71.45 O ATOM 0 H SER A 54 -2.599 2.320 -4.960 1.00 31.30 H new ATOM 0 HA SER A 54 -1.933 -0.435 -4.850 1.00 62.42 H new ATOM 0 HB2 SER A 54 -4.096 0.515 -5.720 1.00 53.53 H new ATOM 0 HB3 SER A 54 -3.240 1.246 -7.063 1.00 53.53 H new ATOM 0 HG SER A 54 -3.820 -1.490 -6.574 1.00 71.45 H new ATOM 900 N GLU A 55 -0.184 1.337 -7.021 1.00 31.41 N ATOM 901 CA GLU A 55 1.026 1.316 -7.885 1.00 5.33 C ATOM 902 C GLU A 55 2.321 1.036 -7.064 1.00 53.13 C ATOM 903 O GLU A 55 3.195 0.290 -7.520 1.00 20.41 O ATOM 904 CB GLU A 55 1.157 2.642 -8.687 1.00 15.53 C ATOM 905 CG GLU A 55 1.267 3.901 -7.816 1.00 22.51 C ATOM 906 CD GLU A 55 1.457 5.200 -8.610 1.00 42.42 C ATOM 907 OE1 GLU A 55 2.615 5.558 -8.899 1.00 70.42 O ATOM 908 OE2 GLU A 55 0.456 5.883 -8.915 1.00 41.12 O ATOM 0 H GLU A 55 -0.578 2.268 -6.884 1.00 31.41 H new ATOM 0 HA GLU A 55 0.905 0.495 -8.592 1.00 5.33 H new ATOM 0 HB2 GLU A 55 2.037 2.580 -9.327 1.00 15.53 H new ATOM 0 HB3 GLU A 55 0.292 2.743 -9.343 1.00 15.53 H new ATOM 0 HG2 GLU A 55 0.367 3.988 -7.208 1.00 22.51 H new ATOM 0 HG3 GLU A 55 2.105 3.782 -7.129 1.00 22.51 H new ATOM 915 N ARG A 56 2.432 1.617 -5.843 1.00 35.20 N ATOM 916 CA ARG A 56 3.592 1.369 -4.935 1.00 24.14 C ATOM 917 C ARG A 56 3.567 -0.073 -4.386 1.00 22.42 C ATOM 918 O ARG A 56 4.617 -0.643 -4.113 1.00 2.42 O ATOM 919 CB ARG A 56 3.669 2.420 -3.777 1.00 55.12 C ATOM 920 CG ARG A 56 4.420 3.733 -4.130 1.00 54.24 C ATOM 921 CD ARG A 56 3.816 4.464 -5.335 1.00 3.22 C ATOM 922 NE ARG A 56 4.402 5.794 -5.578 1.00 64.04 N ATOM 923 CZ ARG A 56 3.721 6.856 -5.969 1.00 41.31 C ATOM 924 NH1 ARG A 56 2.424 6.850 -5.982 1.00 0.45 N ATOM 925 NH2 ARG A 56 4.337 7.939 -6.299 1.00 1.23 N ATOM 0 H ARG A 56 1.738 2.259 -5.461 1.00 35.20 H new ATOM 0 HA ARG A 56 4.498 1.487 -5.529 1.00 24.14 H new ATOM 0 HB2 ARG A 56 2.655 2.672 -3.467 1.00 55.12 H new ATOM 0 HB3 ARG A 56 4.159 1.958 -2.920 1.00 55.12 H new ATOM 0 HG2 ARG A 56 4.406 4.397 -3.265 1.00 54.24 H new ATOM 0 HG3 ARG A 56 5.465 3.503 -4.338 1.00 54.24 H new ATOM 0 HD2 ARG A 56 3.950 3.850 -6.225 1.00 3.22 H new ATOM 0 HD3 ARG A 56 2.742 4.573 -5.182 1.00 3.22 H new ATOM 0 HE ARG A 56 5.406 5.902 -5.434 1.00 64.04 H new ATOM 0 HH11 ARG A 56 1.915 6.017 -5.687 1.00 0.45 H new ATOM 0 HH12 ARG A 56 1.913 7.679 -6.287 1.00 0.45 H new ATOM 0 HH21 ARG A 56 5.355 7.979 -6.259 1.00 1.23 H new ATOM 0 HH22 ARG A 56 3.806 8.756 -6.600 1.00 1.23 H new ATOM 939 N PHE A 57 2.353 -0.644 -4.251 1.00 75.44 N ATOM 940 CA PHE A 57 2.148 -2.088 -3.974 1.00 24.45 C ATOM 941 C PHE A 57 2.862 -2.968 -5.041 1.00 34.11 C ATOM 942 O PHE A 57 3.517 -3.961 -4.710 1.00 61.22 O ATOM 943 CB PHE A 57 0.612 -2.388 -3.910 1.00 54.10 C ATOM 944 CG PHE A 57 0.195 -3.841 -4.187 1.00 34.21 C ATOM 945 CD1 PHE A 57 0.574 -4.871 -3.328 1.00 24.03 C ATOM 946 CD2 PHE A 57 -0.563 -4.173 -5.314 1.00 4.22 C ATOM 947 CE1 PHE A 57 0.214 -6.181 -3.585 1.00 52.14 C ATOM 948 CE2 PHE A 57 -0.924 -5.482 -5.568 1.00 33.33 C ATOM 949 CZ PHE A 57 -0.532 -6.487 -4.705 1.00 51.41 C ATOM 0 H PHE A 57 1.482 -0.119 -4.330 1.00 75.44 H new ATOM 0 HA PHE A 57 2.593 -2.338 -3.011 1.00 24.45 H new ATOM 0 HB2 PHE A 57 0.249 -2.110 -2.921 1.00 54.10 H new ATOM 0 HB3 PHE A 57 0.106 -1.743 -4.628 1.00 54.10 H new ATOM 0 HD1 PHE A 57 1.158 -4.642 -2.448 1.00 24.03 H new ATOM 0 HD2 PHE A 57 -0.871 -3.394 -5.996 1.00 4.22 H new ATOM 0 HE1 PHE A 57 0.517 -6.966 -2.908 1.00 52.14 H new ATOM 0 HE2 PHE A 57 -1.513 -5.720 -6.442 1.00 33.33 H new ATOM 0 HZ PHE A 57 -0.809 -7.511 -4.907 1.00 51.41 H new ATOM 959 N GLN A 58 2.727 -2.580 -6.314 1.00 70.34 N ATOM 960 CA GLN A 58 3.335 -3.301 -7.457 1.00 42.41 C ATOM 961 C GLN A 58 4.871 -3.063 -7.559 1.00 71.41 C ATOM 962 O GLN A 58 5.599 -3.899 -8.106 1.00 53.25 O ATOM 963 CB GLN A 58 2.592 -2.906 -8.754 1.00 43.12 C ATOM 964 CG GLN A 58 1.064 -3.124 -8.659 1.00 63.15 C ATOM 965 CD GLN A 58 0.299 -2.746 -9.931 1.00 24.24 C ATOM 966 OE1 GLN A 58 0.699 -1.859 -10.681 1.00 33.03 O ATOM 967 NE2 GLN A 58 -0.822 -3.397 -10.170 1.00 41.41 N ATOM 0 H GLN A 58 2.193 -1.756 -6.590 1.00 70.34 H new ATOM 0 HA GLN A 58 3.221 -4.373 -7.298 1.00 42.41 H new ATOM 0 HB2 GLN A 58 2.792 -1.858 -8.977 1.00 43.12 H new ATOM 0 HB3 GLN A 58 2.987 -3.490 -9.586 1.00 43.12 H new ATOM 0 HG2 GLN A 58 0.871 -4.172 -8.429 1.00 63.15 H new ATOM 0 HG3 GLN A 58 0.675 -2.538 -7.826 1.00 63.15 H new ATOM 0 HE21 GLN A 58 -1.132 -4.130 -9.532 1.00 41.41 H new ATOM 0 HE22 GLN A 58 -1.379 -3.168 -10.993 1.00 41.41 H new ATOM 976 N GLN A 59 5.349 -1.922 -7.019 1.00 64.05 N ATOM 977 CA GLN A 59 6.808 -1.643 -6.873 1.00 5.25 C ATOM 978 C GLN A 59 7.402 -2.485 -5.714 1.00 30.14 C ATOM 979 O GLN A 59 8.566 -2.899 -5.751 1.00 55.52 O ATOM 980 CB GLN A 59 7.048 -0.122 -6.633 1.00 22.44 C ATOM 981 CG GLN A 59 6.608 0.785 -7.809 1.00 62.22 C ATOM 982 CD GLN A 59 6.826 2.289 -7.562 1.00 34.40 C ATOM 983 OE1 GLN A 59 6.765 2.771 -6.434 1.00 5.54 O ATOM 984 NE2 GLN A 59 7.072 3.043 -8.619 1.00 33.43 N ATOM 0 H GLN A 59 4.750 -1.172 -6.674 1.00 64.05 H new ATOM 0 HA GLN A 59 7.314 -1.926 -7.796 1.00 5.25 H new ATOM 0 HB2 GLN A 59 6.511 0.182 -5.734 1.00 22.44 H new ATOM 0 HB3 GLN A 59 8.108 0.041 -6.441 1.00 22.44 H new ATOM 0 HG2 GLN A 59 7.157 0.492 -8.704 1.00 62.22 H new ATOM 0 HG3 GLN A 59 5.551 0.611 -8.012 1.00 62.22 H new ATOM 0 HE21 GLN A 59 7.118 2.621 -9.547 1.00 33.43 H new ATOM 0 HE22 GLN A 59 7.216 4.047 -8.507 1.00 33.43 H new ATOM 993 N LEU A 60 6.564 -2.739 -4.692 1.00 50.40 N ATOM 994 CA LEU A 60 6.876 -3.649 -3.567 1.00 72.24 C ATOM 995 C LEU A 60 7.010 -5.114 -4.044 1.00 64.43 C ATOM 996 O LEU A 60 7.836 -5.869 -3.524 1.00 10.30 O ATOM 997 CB LEU A 60 5.776 -3.522 -2.480 1.00 33.44 C ATOM 998 CG LEU A 60 5.834 -2.211 -1.629 1.00 53.34 C ATOM 999 CD1 LEU A 60 4.497 -1.926 -0.903 1.00 22.22 C ATOM 1000 CD2 LEU A 60 7.012 -2.267 -0.636 1.00 42.33 C ATOM 0 H LEU A 60 5.639 -2.314 -4.621 1.00 50.40 H new ATOM 0 HA LEU A 60 7.837 -3.360 -3.142 1.00 72.24 H new ATOM 0 HB2 LEU A 60 4.801 -3.580 -2.963 1.00 33.44 H new ATOM 0 HB3 LEU A 60 5.850 -4.377 -1.808 1.00 33.44 H new ATOM 0 HG LEU A 60 5.999 -1.380 -2.314 1.00 53.34 H new ATOM 0 HD11 LEU A 60 4.586 -1.006 -0.325 1.00 22.22 H new ATOM 0 HD12 LEU A 60 3.700 -1.817 -1.638 1.00 22.22 H new ATOM 0 HD13 LEU A 60 4.263 -2.754 -0.234 1.00 22.22 H new ATOM 0 HD21 LEU A 60 7.039 -1.348 -0.051 1.00 42.33 H new ATOM 0 HD22 LEU A 60 6.884 -3.119 0.032 1.00 42.33 H new ATOM 0 HD23 LEU A 60 7.947 -2.375 -1.186 1.00 42.33 H new ATOM 1012 N MET A 61 6.197 -5.494 -5.051 1.00 44.33 N ATOM 1013 CA MET A 61 6.273 -6.829 -5.690 1.00 13.52 C ATOM 1014 C MET A 61 7.645 -7.052 -6.386 1.00 32.22 C ATOM 1015 O MET A 61 8.139 -8.179 -6.443 1.00 11.31 O ATOM 1016 CB MET A 61 5.108 -7.019 -6.699 1.00 10.41 C ATOM 1017 CG MET A 61 3.687 -6.939 -6.106 1.00 54.21 C ATOM 1018 SD MET A 61 3.363 -8.163 -4.799 1.00 74.11 S ATOM 1019 CE MET A 61 3.766 -7.276 -3.289 1.00 71.44 C ATOM 0 H MET A 61 5.474 -4.891 -5.443 1.00 44.33 H new ATOM 0 HA MET A 61 6.177 -7.578 -4.904 1.00 13.52 H new ATOM 0 HB2 MET A 61 5.200 -6.262 -7.478 1.00 10.41 H new ATOM 0 HB3 MET A 61 5.226 -7.989 -7.182 1.00 10.41 H new ATOM 0 HG2 MET A 61 3.529 -5.939 -5.701 1.00 54.21 H new ATOM 0 HG3 MET A 61 2.961 -7.077 -6.907 1.00 54.21 H new ATOM 0 HE1 MET A 61 4.543 -7.815 -2.747 1.00 71.44 H new ATOM 0 HE2 MET A 61 4.124 -6.277 -3.538 1.00 71.44 H new ATOM 0 HE3 MET A 61 2.876 -7.197 -2.665 1.00 71.44 H new ATOM 1029 N LYS A 62 8.250 -5.958 -6.901 1.00 65.41 N ATOM 1030 CA LYS A 62 9.614 -5.987 -7.494 1.00 43.20 C ATOM 1031 C LYS A 62 10.724 -6.161 -6.430 1.00 40.01 C ATOM 1032 O LYS A 62 11.771 -6.755 -6.728 1.00 1.40 O ATOM 1033 CB LYS A 62 9.874 -4.724 -8.377 1.00 60.41 C ATOM 1034 CG LYS A 62 9.311 -4.832 -9.816 1.00 13.34 C ATOM 1035 CD LYS A 62 9.933 -6.025 -10.586 1.00 70.21 C ATOM 1036 CE LYS A 62 9.466 -6.132 -12.046 1.00 23.25 C ATOM 1037 NZ LYS A 62 9.973 -7.376 -12.684 1.00 35.32 N ATOM 0 H LYS A 62 7.814 -5.036 -6.919 1.00 65.41 H new ATOM 0 HA LYS A 62 9.655 -6.867 -8.136 1.00 43.20 H new ATOM 0 HB2 LYS A 62 9.431 -3.855 -7.889 1.00 60.41 H new ATOM 0 HB3 LYS A 62 10.948 -4.546 -8.431 1.00 60.41 H new ATOM 0 HG2 LYS A 62 8.228 -4.950 -9.775 1.00 13.34 H new ATOM 0 HG3 LYS A 62 9.511 -3.906 -10.356 1.00 13.34 H new ATOM 0 HD2 LYS A 62 11.019 -5.931 -10.568 1.00 70.21 H new ATOM 0 HD3 LYS A 62 9.684 -6.950 -10.066 1.00 70.21 H new ATOM 0 HE2 LYS A 62 8.377 -6.119 -12.084 1.00 23.25 H new ATOM 0 HE3 LYS A 62 9.815 -5.265 -12.606 1.00 23.25 H new ATOM 0 HZ1 LYS A 62 10.434 -7.141 -13.586 1.00 35.32 H new ATOM 0 HZ2 LYS A 62 10.661 -7.834 -12.053 1.00 35.32 H new ATOM 0 HZ3 LYS A 62 9.179 -8.024 -12.860 1.00 35.32 H new ATOM 1051 N LEU A 63 10.491 -5.666 -5.198 1.00 32.44 N ATOM 1052 CA LEU A 63 11.417 -5.908 -4.062 1.00 71.14 C ATOM 1053 C LEU A 63 11.502 -7.427 -3.743 1.00 54.23 C ATOM 1054 O LEU A 63 12.583 -7.961 -3.457 1.00 40.13 O ATOM 1055 CB LEU A 63 10.973 -5.129 -2.790 1.00 21.13 C ATOM 1056 CG LEU A 63 10.772 -3.579 -2.932 1.00 60.43 C ATOM 1057 CD1 LEU A 63 10.448 -2.932 -1.567 1.00 75.22 C ATOM 1058 CD2 LEU A 63 11.986 -2.892 -3.585 1.00 51.05 C ATOM 0 H LEU A 63 9.677 -5.100 -4.960 1.00 32.44 H new ATOM 0 HA LEU A 63 12.401 -5.546 -4.359 1.00 71.14 H new ATOM 0 HB2 LEU A 63 10.035 -5.561 -2.440 1.00 21.13 H new ATOM 0 HB3 LEU A 63 11.715 -5.303 -2.011 1.00 21.13 H new ATOM 0 HG LEU A 63 9.920 -3.431 -3.595 1.00 60.43 H new ATOM 0 HD11 LEU A 63 10.314 -1.858 -1.696 1.00 75.22 H new ATOM 0 HD12 LEU A 63 9.532 -3.367 -1.167 1.00 75.22 H new ATOM 0 HD13 LEU A 63 11.269 -3.114 -0.874 1.00 75.22 H new ATOM 0 HD21 LEU A 63 11.800 -1.821 -3.662 1.00 51.05 H new ATOM 0 HD22 LEU A 63 12.873 -3.064 -2.975 1.00 51.05 H new ATOM 0 HD23 LEU A 63 12.145 -3.305 -4.581 1.00 51.05 H new ATOM 1070 N PHE A 64 10.338 -8.104 -3.802 1.00 41.22 N ATOM 1071 CA PHE A 64 10.230 -9.571 -3.599 1.00 30.15 C ATOM 1072 C PHE A 64 10.703 -10.376 -4.841 1.00 74.33 C ATOM 1073 O PHE A 64 11.214 -11.496 -4.702 1.00 74.44 O ATOM 1074 CB PHE A 64 8.769 -9.961 -3.244 1.00 34.42 C ATOM 1075 CG PHE A 64 8.262 -9.355 -1.932 1.00 34.45 C ATOM 1076 CD1 PHE A 64 8.839 -9.716 -0.714 1.00 72.54 C ATOM 1077 CD2 PHE A 64 7.218 -8.428 -1.916 1.00 42.34 C ATOM 1078 CE1 PHE A 64 8.389 -9.172 0.474 1.00 24.32 C ATOM 1079 CE2 PHE A 64 6.769 -7.885 -0.726 1.00 41.23 C ATOM 1080 CZ PHE A 64 7.357 -8.256 0.468 1.00 41.24 C ATOM 0 H PHE A 64 9.443 -7.653 -3.992 1.00 41.22 H new ATOM 0 HA PHE A 64 10.890 -9.827 -2.770 1.00 30.15 H new ATOM 0 HB2 PHE A 64 8.113 -9.646 -4.055 1.00 34.42 H new ATOM 0 HB3 PHE A 64 8.699 -11.047 -3.181 1.00 34.42 H new ATOM 0 HD1 PHE A 64 9.649 -10.431 -0.699 1.00 72.54 H new ATOM 0 HD2 PHE A 64 6.755 -8.131 -2.845 1.00 42.34 H new ATOM 0 HE1 PHE A 64 8.846 -9.464 1.408 1.00 24.32 H new ATOM 0 HE2 PHE A 64 5.959 -7.171 -0.730 1.00 41.23 H new ATOM 0 HZ PHE A 64 7.009 -7.829 1.397 1.00 41.24 H new ATOM 1090 N GLU A 65 10.534 -9.787 -6.044 1.00 64.35 N ATOM 1091 CA GLU A 65 10.853 -10.453 -7.332 1.00 2.13 C ATOM 1092 C GLU A 65 12.375 -10.686 -7.469 1.00 24.24 C ATOM 1093 O GLU A 65 12.831 -11.836 -7.491 1.00 11.43 O ATOM 1094 CB GLU A 65 10.296 -9.578 -8.507 1.00 32.41 C ATOM 1095 CG GLU A 65 10.264 -10.222 -9.925 1.00 21.42 C ATOM 1096 CD GLU A 65 11.596 -10.162 -10.714 1.00 23.40 C ATOM 1097 OE1 GLU A 65 12.004 -9.052 -11.134 1.00 15.14 O ATOM 1098 OE2 GLU A 65 12.231 -11.221 -10.932 1.00 3.44 O ATOM 0 H GLU A 65 10.174 -8.839 -6.153 1.00 64.35 H new ATOM 0 HA GLU A 65 10.378 -11.434 -7.365 1.00 2.13 H new ATOM 0 HB2 GLU A 65 9.280 -9.276 -8.251 1.00 32.41 H new ATOM 0 HB3 GLU A 65 10.894 -8.669 -8.563 1.00 32.41 H new ATOM 0 HG2 GLU A 65 9.968 -11.266 -9.824 1.00 21.42 H new ATOM 0 HG3 GLU A 65 9.491 -9.727 -10.513 1.00 21.42 H new ATOM 1105 N LYS A 66 13.150 -9.578 -7.472 1.00 63.31 N ATOM 1106 CA LYS A 66 14.612 -9.608 -7.737 1.00 72.44 C ATOM 1107 C LYS A 66 15.225 -8.195 -7.597 1.00 20.33 C ATOM 1108 O LYS A 66 14.539 -7.193 -7.822 1.00 1.11 O ATOM 1109 CB LYS A 66 14.864 -10.138 -9.184 1.00 14.21 C ATOM 1110 CG LYS A 66 16.337 -10.376 -9.591 1.00 33.52 C ATOM 1111 CD LYS A 66 16.527 -10.625 -11.118 1.00 74.44 C ATOM 1112 CE LYS A 66 16.328 -9.357 -11.989 1.00 14.40 C ATOM 1113 NZ LYS A 66 14.922 -8.843 -12.007 1.00 24.24 N ATOM 0 H LYS A 66 12.786 -8.642 -7.292 1.00 63.31 H new ATOM 0 HA LYS A 66 15.084 -10.267 -7.008 1.00 72.44 H new ATOM 0 HB2 LYS A 66 14.323 -11.077 -9.301 1.00 14.21 H new ATOM 0 HB3 LYS A 66 14.427 -9.428 -9.887 1.00 14.21 H new ATOM 0 HG2 LYS A 66 16.932 -9.512 -9.295 1.00 33.52 H new ATOM 0 HG3 LYS A 66 16.724 -11.233 -9.040 1.00 33.52 H new ATOM 0 HD2 LYS A 66 17.528 -11.019 -11.290 1.00 74.44 H new ATOM 0 HD3 LYS A 66 15.823 -11.391 -11.442 1.00 74.44 H new ATOM 0 HE2 LYS A 66 16.987 -8.570 -11.622 1.00 14.40 H new ATOM 0 HE3 LYS A 66 16.636 -9.579 -13.011 1.00 14.40 H new ATOM 0 HZ1 LYS A 66 14.724 -8.406 -12.930 1.00 24.24 H new ATOM 0 HZ2 LYS A 66 14.262 -9.631 -11.848 1.00 24.24 H new ATOM 0 HZ3 LYS A 66 14.802 -8.134 -11.256 1.00 24.24 H new ATOM 1127 N SER A 67 16.518 -8.127 -7.229 1.00 32.54 N ATOM 1128 CA SER A 67 17.311 -6.884 -7.347 1.00 23.21 C ATOM 1129 C SER A 67 17.609 -6.586 -8.838 1.00 70.33 C ATOM 1130 O SER A 67 17.886 -7.514 -9.604 1.00 0.12 O ATOM 1131 CB SER A 67 18.632 -7.001 -6.557 1.00 1.45 C ATOM 1132 OG SER A 67 18.408 -7.245 -5.173 1.00 55.31 O ATOM 0 H SER A 67 17.038 -8.917 -6.847 1.00 32.54 H new ATOM 0 HA SER A 67 16.730 -6.063 -6.926 1.00 23.21 H new ATOM 0 HB2 SER A 67 19.233 -7.809 -6.974 1.00 1.45 H new ATOM 0 HB3 SER A 67 19.207 -6.082 -6.674 1.00 1.45 H new ATOM 0 HG SER A 67 19.269 -7.314 -4.710 1.00 55.31 H new ATOM 1138 N LYS A 68 17.558 -5.288 -9.224 1.00 31.12 N ATOM 1139 CA LYS A 68 17.752 -4.799 -10.626 1.00 15.24 C ATOM 1140 C LYS A 68 16.535 -5.129 -11.542 1.00 71.30 C ATOM 1141 O LYS A 68 15.771 -6.071 -11.283 1.00 44.42 O ATOM 1142 CB LYS A 68 19.092 -5.313 -11.256 1.00 44.30 C ATOM 1143 CG LYS A 68 20.353 -5.029 -10.394 1.00 44.13 C ATOM 1144 CD LYS A 68 21.638 -5.673 -10.973 1.00 51.24 C ATOM 1145 CE LYS A 68 22.846 -5.564 -10.020 1.00 35.02 C ATOM 1146 NZ LYS A 68 23.252 -4.153 -9.757 1.00 45.20 N ATOM 0 H LYS A 68 17.378 -4.532 -8.564 1.00 31.12 H new ATOM 0 HA LYS A 68 17.822 -3.713 -10.559 1.00 15.24 H new ATOM 0 HB2 LYS A 68 19.014 -6.388 -11.421 1.00 44.30 H new ATOM 0 HB3 LYS A 68 19.222 -4.849 -12.234 1.00 44.30 H new ATOM 0 HG2 LYS A 68 20.497 -3.952 -10.314 1.00 44.13 H new ATOM 0 HG3 LYS A 68 20.188 -5.404 -9.384 1.00 44.13 H new ATOM 0 HD2 LYS A 68 21.446 -6.724 -11.189 1.00 51.24 H new ATOM 0 HD3 LYS A 68 21.884 -5.193 -11.920 1.00 51.24 H new ATOM 0 HE2 LYS A 68 22.602 -6.049 -9.075 1.00 35.02 H new ATOM 0 HE3 LYS A 68 23.690 -6.106 -10.447 1.00 35.02 H new ATOM 0 HZ1 LYS A 68 24.067 -4.141 -9.111 1.00 45.20 H new ATOM 0 HZ2 LYS A 68 23.513 -3.694 -10.653 1.00 45.20 H new ATOM 0 HZ3 LYS A 68 22.459 -3.639 -9.323 1.00 45.20 H new ATOM 1160 N CYS A 69 16.364 -4.328 -12.612 1.00 64.41 N ATOM 1161 CA CYS A 69 15.242 -4.472 -13.570 1.00 60.43 C ATOM 1162 C CYS A 69 15.359 -5.790 -14.379 1.00 34.41 C ATOM 1163 O CYS A 69 14.545 -6.708 -14.209 1.00 33.52 O ATOM 1164 CB CYS A 69 15.195 -3.251 -14.518 1.00 64.45 C ATOM 1165 SG CYS A 69 13.925 -3.348 -15.802 1.00 51.22 S ATOM 0 H CYS A 69 16.998 -3.562 -12.839 1.00 64.41 H new ATOM 0 HA CYS A 69 14.312 -4.515 -13.004 1.00 60.43 H new ATOM 0 HB2 CYS A 69 15.026 -2.352 -13.925 1.00 64.45 H new ATOM 0 HB3 CYS A 69 16.169 -3.140 -14.995 1.00 64.45 H new ATOM 0 HG CYS A 69 13.969 -2.277 -16.538 1.00 51.22 H new ATOM 1171 N ARG A 70 16.393 -5.883 -15.241 1.00 33.30 N ATOM 1172 CA ARG A 70 16.680 -7.110 -16.033 1.00 2.23 C ATOM 1173 C ARG A 70 17.596 -8.107 -15.248 1.00 1.43 C ATOM 1174 O ARG A 70 17.425 -9.339 -15.399 1.00 37.59 O ATOM 1175 CB ARG A 70 17.249 -6.746 -17.454 1.00 12.01 C ATOM 1176 CG ARG A 70 18.389 -5.678 -17.518 1.00 21.32 C ATOM 1177 CD ARG A 70 19.775 -6.204 -17.083 1.00 61.32 C ATOM 1178 NE ARG A 70 20.262 -7.325 -17.916 1.00 44.52 N ATOM 1179 CZ ARG A 70 20.725 -8.473 -17.459 1.00 34.43 C ATOM 1180 NH1 ARG A 70 20.643 -8.782 -16.200 1.00 43.11 N ATOM 1181 NH2 ARG A 70 21.241 -9.324 -18.281 1.00 32.12 N ATOM 1182 OXT ARG A 70 18.466 -7.656 -14.465 1.00 37.59 O ATOM 0 H ARG A 70 17.050 -5.121 -15.411 1.00 33.30 H new ATOM 0 HA ARG A 70 15.738 -7.633 -16.196 1.00 2.23 H new ATOM 0 HB2 ARG A 70 17.619 -7.662 -17.914 1.00 12.01 H new ATOM 0 HB3 ARG A 70 16.421 -6.393 -18.069 1.00 12.01 H new ATOM 0 HG2 ARG A 70 18.460 -5.300 -18.538 1.00 21.32 H new ATOM 0 HG3 ARG A 70 18.117 -4.835 -16.883 1.00 21.32 H new ATOM 0 HD2 ARG A 70 20.496 -5.388 -17.127 1.00 61.32 H new ATOM 0 HD3 ARG A 70 19.723 -6.528 -16.044 1.00 61.32 H new ATOM 0 HE ARG A 70 20.238 -7.200 -18.928 1.00 44.52 H new ATOM 0 HH11 ARG A 70 20.214 -8.131 -15.542 1.00 43.11 H new ATOM 0 HH12 ARG A 70 21.008 -9.675 -15.869 1.00 43.11 H new ATOM 0 HH21 ARG A 70 21.289 -9.107 -19.276 1.00 32.12 H new ATOM 0 HH22 ARG A 70 21.601 -10.213 -17.935 1.00 32.12 H new TER 1196 ARG A 70