USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 30:sc= -1.45! USER MOD Set 1.2: A 113 LYS NZ :NH3+ -163:sc= 0.418 (180deg=0.193) USER MOD Set 2.1: A 102 TYR OH : rot -150:sc= -5.07! USER MOD Set 2.2: A 106 GLN : amide:sc= -1.89! C(o=-7!,f=-7.7!) USER MOD Set 3.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 27 THR OG1 : rot -160:sc= -4.63! USER MOD Set 4.2: A 88 ASN : amide:sc= -2.35! C(o=-7!,f=-6.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.02) USER MOD Single : A 48 CYS SG : rot 69:sc= -10.5! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= -3.63! (180deg=-3.72!) USER MOD Single : A 66 THR OG1 : rot -54:sc= 0.974 USER MOD Single : A 71 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.6!) USER MOD Single : A 72 CYS SG : rot 27:sc= -2.4! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 84:sc= 1.02 USER MOD Single : A 82 ASN : amide:sc= -4.94! K(o=-4.9!,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -1.72! K(o=-1.7!,f=-0.65) USER MOD Single : A 87 GLN : amide:sc= -6.74! C(o=-6.7!,f=-5.5!) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= -0.0133 (180deg=-0.183) USER MOD Single : A 92 SER OG : rot 85:sc= 0.0405 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 108:sc= 1.12 USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -1.22 (180deg=-1.9!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD Single : A 111 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.8!) USER MOD Single : A 114 SER OG : rot 74:sc= 0.189 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.374 2.385 -3.625 1.00 0.00 N ATOM 71 CA THR A 27 -19.153 3.013 -4.093 1.00 0.00 C ATOM 72 C THR A 27 -18.479 3.762 -2.944 1.00 0.00 C ATOM 73 O THR A 27 -17.260 3.925 -2.927 1.00 0.00 O ATOM 74 CB THR A 27 -19.462 3.948 -5.269 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.032 3.373 -6.489 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.815 5.308 -5.155 1.00 0.00 C ATOM 0 HA THR A 27 -18.462 2.248 -4.446 1.00 0.00 H new ATOM 0 HB THR A 27 -20.544 4.082 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.938 4.075 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.080 5.911 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.165 5.803 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.732 5.193 -5.110 1.00 0.00 H new ATOM 84 N LYS A 28 -19.281 4.198 -1.975 1.00 0.00 N ATOM 85 CA LYS A 28 -18.752 4.905 -0.818 1.00 0.00 C ATOM 86 C LYS A 28 -17.841 3.976 -0.028 1.00 0.00 C ATOM 87 O LYS A 28 -16.781 4.379 0.451 1.00 0.00 O ATOM 88 CB LYS A 28 -19.892 5.411 0.071 1.00 0.00 C ATOM 89 CG LYS A 28 -20.055 6.922 0.048 1.00 0.00 C ATOM 90 CD LYS A 28 -20.729 7.428 1.313 1.00 0.00 C ATOM 91 CE LYS A 28 -19.715 7.697 2.413 1.00 0.00 C ATOM 92 NZ LYS A 28 -20.334 7.630 3.766 1.00 0.00 N ATOM 0 H LYS A 28 -20.293 4.074 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.179 5.767 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.825 4.948 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.713 5.089 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.078 7.393 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -20.645 7.212 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -21.280 8.342 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -21.456 6.693 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.906 6.969 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.271 8.681 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.610 7.819 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.089 8.341 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.735 6.683 3.918 1.00 0.00 H new ATOM 106 N GLU A 29 -18.259 2.718 0.083 1.00 0.00 N ATOM 107 CA GLU A 29 -17.481 1.713 0.791 1.00 0.00 C ATOM 108 C GLU A 29 -16.129 1.535 0.116 1.00 0.00 C ATOM 109 O GLU A 29 -15.112 1.323 0.776 1.00 0.00 O ATOM 110 CB GLU A 29 -18.234 0.382 0.819 1.00 0.00 C ATOM 111 CG GLU A 29 -19.023 0.155 2.097 1.00 0.00 C ATOM 112 CD GLU A 29 -19.757 -1.171 2.101 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.091 -2.219 2.239 1.00 0.00 O ATOM 114 OE2 GLU A 29 -20.999 -1.162 1.967 1.00 0.00 O ATOM 0 H GLU A 29 -19.134 2.373 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.325 2.046 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.916 0.342 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.520 -0.432 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.345 0.193 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.742 0.964 2.224 1.00 0.00 H new ATOM 121 N LEU A 30 -16.128 1.633 -1.210 1.00 0.00 N ATOM 122 CA LEU A 30 -14.904 1.497 -1.987 1.00 0.00 C ATOM 123 C LEU A 30 -13.898 2.567 -1.578 1.00 0.00 C ATOM 124 O LEU A 30 -12.750 2.264 -1.254 1.00 0.00 O ATOM 125 CB LEU A 30 -15.216 1.595 -3.483 1.00 0.00 C ATOM 126 CG LEU A 30 -14.042 1.997 -4.378 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.964 0.927 -4.349 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.518 2.242 -5.802 1.00 0.00 C ATOM 0 H LEU A 30 -16.964 1.806 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.466 0.519 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.594 0.630 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.020 2.318 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.616 2.925 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.136 1.228 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.605 0.800 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.377 -0.016 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.670 2.527 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.969 1.331 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.257 3.043 -5.806 1.00 0.00 H new ATOM 140 N SER A 31 -14.345 3.819 -1.582 1.00 0.00 N ATOM 141 CA SER A 31 -13.488 4.934 -1.195 1.00 0.00 C ATOM 142 C SER A 31 -12.919 4.700 0.201 1.00 0.00 C ATOM 143 O SER A 31 -11.865 5.230 0.548 1.00 0.00 O ATOM 144 CB SER A 31 -14.272 6.247 -1.229 1.00 0.00 C ATOM 145 OG SER A 31 -13.419 7.357 -1.010 1.00 0.00 O ATOM 0 H SER A 31 -15.293 4.086 -1.848 1.00 0.00 H new ATOM 0 HA SER A 31 -12.664 5.001 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.770 6.352 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.052 6.228 -0.468 1.00 0.00 H new ATOM 0 HG SER A 31 -13.944 8.184 -1.038 1.00 0.00 H new ATOM 151 N ASN A 32 -13.619 3.888 0.994 1.00 0.00 N ATOM 152 CA ASN A 32 -13.169 3.570 2.342 1.00 0.00 C ATOM 153 C ASN A 32 -11.944 2.668 2.270 1.00 0.00 C ATOM 154 O ASN A 32 -11.012 2.802 3.063 1.00 0.00 O ATOM 155 CB ASN A 32 -14.288 2.889 3.136 1.00 0.00 C ATOM 156 CG ASN A 32 -14.754 3.727 4.311 1.00 0.00 C ATOM 157 OD1 ASN A 32 -14.459 3.417 5.465 1.00 0.00 O ATOM 158 ND2 ASN A 32 -15.487 4.796 4.021 1.00 0.00 N ATOM 0 H ASN A 32 -14.496 3.442 0.724 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.903 4.494 2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.132 2.694 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.937 1.923 3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.829 5.398 4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.707 5.015 3.049 1.00 0.00 H new ATOM 165 N LEU A 33 -11.944 1.768 1.290 1.00 0.00 N ATOM 166 CA LEU A 33 -10.821 0.863 1.087 1.00 0.00 C ATOM 167 C LEU A 33 -9.677 1.634 0.453 1.00 0.00 C ATOM 168 O LEU A 33 -8.518 1.493 0.842 1.00 0.00 O ATOM 169 CB LEU A 33 -11.221 -0.314 0.190 1.00 0.00 C ATOM 170 CG LEU A 33 -12.671 -0.784 0.327 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.074 -1.623 -0.875 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.856 -1.568 1.616 1.00 0.00 C ATOM 0 H LEU A 33 -12.709 1.648 0.626 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.510 0.460 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.045 -0.033 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.563 -1.155 0.409 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.317 0.093 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.108 -1.949 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.979 -1.027 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.424 -2.495 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.893 -1.895 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.201 -2.439 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.608 -0.933 2.467 1.00 0.00 H new ATOM 184 N ILE A 34 -10.026 2.475 -0.511 1.00 0.00 N ATOM 185 CA ILE A 34 -9.053 3.307 -1.193 1.00 0.00 C ATOM 186 C ILE A 34 -8.471 4.318 -0.215 1.00 0.00 C ATOM 187 O ILE A 34 -7.259 4.526 -0.165 1.00 0.00 O ATOM 188 CB ILE A 34 -9.705 4.045 -2.381 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.985 3.068 -3.521 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.834 5.195 -2.867 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.779 3.675 -4.654 1.00 0.00 C ATOM 0 H ILE A 34 -10.984 2.597 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.256 2.670 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.649 4.467 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.038 2.696 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.528 2.209 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.323 5.693 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.687 5.908 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.867 4.808 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.941 2.925 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.742 4.022 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.228 4.517 -5.074 1.00 0.00 H new ATOM 203 N GLU A 35 -9.348 4.938 0.570 1.00 0.00 N ATOM 204 CA GLU A 35 -8.926 5.919 1.558 1.00 0.00 C ATOM 205 C GLU A 35 -7.848 5.323 2.451 1.00 0.00 C ATOM 206 O GLU A 35 -6.914 6.011 2.866 1.00 0.00 O ATOM 207 CB GLU A 35 -10.116 6.374 2.405 1.00 0.00 C ATOM 208 CG GLU A 35 -10.896 7.526 1.791 1.00 0.00 C ATOM 209 CD GLU A 35 -10.608 8.851 2.469 1.00 0.00 C ATOM 210 OE1 GLU A 35 -11.096 9.057 3.600 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.896 9.683 1.869 1.00 0.00 O ATOM 0 H GLU A 35 -10.355 4.777 0.539 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.520 6.786 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.789 5.530 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.757 6.673 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.650 7.603 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.963 7.313 1.856 1.00 0.00 H new ATOM 218 N THR A 36 -7.971 4.027 2.722 1.00 0.00 N ATOM 219 CA THR A 36 -6.994 3.332 3.540 1.00 0.00 C ATOM 220 C THR A 36 -5.757 3.048 2.700 1.00 0.00 C ATOM 221 O THR A 36 -4.629 3.222 3.155 1.00 0.00 O ATOM 222 CB THR A 36 -7.592 2.037 4.116 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.302 1.927 5.498 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.095 0.770 3.446 1.00 0.00 C ATOM 0 H THR A 36 -8.736 3.442 2.386 1.00 0.00 H new ATOM 0 HA THR A 36 -6.710 3.959 4.385 1.00 0.00 H new ATOM 0 HB THR A 36 -8.663 2.120 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.691 1.099 5.849 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.565 -0.096 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.349 0.795 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.013 0.699 3.558 1.00 0.00 H new ATOM 232 N PHE A 37 -5.985 2.635 1.455 1.00 0.00 N ATOM 233 CA PHE A 37 -4.894 2.354 0.535 1.00 0.00 C ATOM 234 C PHE A 37 -4.032 3.596 0.375 1.00 0.00 C ATOM 235 O PHE A 37 -2.805 3.520 0.378 1.00 0.00 O ATOM 236 CB PHE A 37 -5.438 1.915 -0.825 1.00 0.00 C ATOM 237 CG PHE A 37 -4.458 1.135 -1.662 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.431 0.396 -1.081 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.563 1.149 -3.041 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.537 -0.308 -1.867 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.672 0.449 -3.828 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.658 -0.280 -3.240 1.00 0.00 C ATOM 0 H PHE A 37 -6.916 2.489 1.064 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.290 1.543 0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.329 1.307 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.750 2.799 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.331 0.372 -0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.354 1.716 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.745 -0.879 -1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.768 0.471 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.960 -0.828 -3.855 1.00 0.00 H new ATOM 252 N ALA A 38 -4.691 4.745 0.258 1.00 0.00 N ATOM 253 CA ALA A 38 -3.990 6.013 0.126 1.00 0.00 C ATOM 254 C ALA A 38 -3.084 6.227 1.330 1.00 0.00 C ATOM 255 O ALA A 38 -1.957 6.703 1.199 1.00 0.00 O ATOM 256 CB ALA A 38 -4.981 7.159 -0.010 1.00 0.00 C ATOM 0 H ALA A 38 -5.708 4.822 0.252 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.378 5.987 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.439 8.099 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.599 7.003 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.617 7.197 0.875 1.00 0.00 H new ATOM 262 N GLU A 39 -3.582 5.845 2.504 1.00 0.00 N ATOM 263 CA GLU A 39 -2.813 5.967 3.733 1.00 0.00 C ATOM 264 C GLU A 39 -1.716 4.908 3.744 1.00 0.00 C ATOM 265 O GLU A 39 -0.556 5.198 4.036 1.00 0.00 O ATOM 266 CB GLU A 39 -3.738 5.826 4.954 1.00 0.00 C ATOM 267 CG GLU A 39 -3.184 4.955 6.075 1.00 0.00 C ATOM 268 CD GLU A 39 -3.815 5.265 7.418 1.00 0.00 C ATOM 269 OE1 GLU A 39 -5.032 5.543 7.453 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.092 5.229 8.436 1.00 0.00 O ATOM 0 H GLU A 39 -4.514 5.449 2.627 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.348 6.952 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.945 6.819 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.690 5.409 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.352 3.906 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.106 5.098 6.142 1.00 0.00 H new ATOM 277 N GLN A 40 -2.095 3.680 3.399 1.00 0.00 N ATOM 278 CA GLN A 40 -1.151 2.576 3.343 1.00 0.00 C ATOM 279 C GLN A 40 -0.055 2.885 2.330 1.00 0.00 C ATOM 280 O GLN A 40 1.107 2.531 2.527 1.00 0.00 O ATOM 281 CB GLN A 40 -1.869 1.279 2.959 1.00 0.00 C ATOM 282 CG GLN A 40 -3.027 0.925 3.877 1.00 0.00 C ATOM 283 CD GLN A 40 -2.596 0.090 5.064 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.404 -0.092 5.312 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.568 -0.424 5.805 1.00 0.00 N ATOM 0 H GLN A 40 -3.053 3.428 3.154 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.703 2.447 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.241 1.369 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.149 0.461 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.496 1.842 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.782 0.381 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.543 -0.247 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.341 -0.996 6.618 1.00 0.00 H new ATOM 294 N SER A 41 -0.438 3.566 1.250 1.00 0.00 N ATOM 295 CA SER A 41 0.509 3.946 0.210 1.00 0.00 C ATOM 296 C SER A 41 1.599 4.823 0.806 1.00 0.00 C ATOM 297 O SER A 41 2.788 4.549 0.650 1.00 0.00 O ATOM 298 CB SER A 41 -0.207 4.685 -0.924 1.00 0.00 C ATOM 299 OG SER A 41 -0.320 3.866 -2.075 1.00 0.00 O ATOM 0 H SER A 41 -1.398 3.864 1.075 1.00 0.00 H new ATOM 0 HA SER A 41 0.962 3.044 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.199 4.991 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.341 5.594 -1.173 1.00 0.00 H new ATOM 0 HG SER A 41 -0.782 4.360 -2.784 1.00 0.00 H new ATOM 305 N ARG A 42 1.181 5.864 1.519 1.00 0.00 N ATOM 306 CA ARG A 42 2.128 6.759 2.170 1.00 0.00 C ATOM 307 C ARG A 42 2.876 5.992 3.247 1.00 0.00 C ATOM 308 O ARG A 42 4.041 6.261 3.528 1.00 0.00 O ATOM 309 CB ARG A 42 1.419 7.970 2.790 1.00 0.00 C ATOM 310 CG ARG A 42 0.134 8.371 2.083 1.00 0.00 C ATOM 311 CD ARG A 42 -0.071 9.877 2.111 1.00 0.00 C ATOM 312 NE ARG A 42 -1.244 10.284 1.341 1.00 0.00 N ATOM 313 CZ ARG A 42 -1.251 10.423 0.016 1.00 0.00 C ATOM 314 NH1 ARG A 42 -0.152 10.187 -0.689 1.00 0.00 N ATOM 315 NH2 ARG A 42 -2.361 10.797 -0.604 1.00 0.00 N ATOM 0 H ARG A 42 0.200 6.107 1.659 1.00 0.00 H new ATOM 0 HA ARG A 42 2.826 7.131 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.193 7.749 3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.103 8.819 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.163 8.026 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.714 7.878 2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.182 10.209 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.815 10.371 1.711 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.109 10.473 1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.704 9.897 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.164 10.295 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.209 10.978 -0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.367 10.904 -1.618 1.00 0.00 H new ATOM 329 N VAL A 43 2.194 5.015 3.836 1.00 0.00 N ATOM 330 CA VAL A 43 2.791 4.187 4.867 1.00 0.00 C ATOM 331 C VAL A 43 3.931 3.369 4.279 1.00 0.00 C ATOM 332 O VAL A 43 5.047 3.385 4.789 1.00 0.00 O ATOM 333 CB VAL A 43 1.746 3.249 5.509 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.389 1.972 6.026 1.00 0.00 C ATOM 335 CG2 VAL A 43 1.019 3.965 6.630 1.00 0.00 C ATOM 0 H VAL A 43 1.227 4.780 3.614 1.00 0.00 H new ATOM 0 HA VAL A 43 3.178 4.844 5.646 1.00 0.00 H new ATOM 0 HB VAL A 43 1.027 2.971 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.625 1.335 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.865 1.444 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.138 2.220 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.285 3.293 7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.736 4.273 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.512 4.844 6.232 1.00 0.00 H new ATOM 345 N LEU A 44 3.655 2.665 3.187 1.00 0.00 N ATOM 346 CA LEU A 44 4.684 1.869 2.541 1.00 0.00 C ATOM 347 C LEU A 44 5.898 2.746 2.276 1.00 0.00 C ATOM 348 O LEU A 44 7.012 2.402 2.648 1.00 0.00 O ATOM 349 CB LEU A 44 4.160 1.254 1.233 1.00 0.00 C ATOM 350 CG LEU A 44 4.364 -0.265 1.058 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.635 -0.555 0.274 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.394 -0.990 2.399 1.00 0.00 C ATOM 0 H LEU A 44 2.740 2.631 2.738 1.00 0.00 H new ATOM 0 HA LEU A 44 4.969 1.048 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.093 1.466 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.644 1.762 0.399 1.00 0.00 H new ATOM 0 HG LEU A 44 3.510 -0.641 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.757 -1.633 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.567 -0.095 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.493 -0.146 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.539 -2.057 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.214 -0.602 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.450 -0.829 2.921 1.00 0.00 H new ATOM 364 N GLU A 45 5.668 3.905 1.668 1.00 0.00 N ATOM 365 CA GLU A 45 6.754 4.834 1.392 1.00 0.00 C ATOM 366 C GLU A 45 7.383 5.315 2.702 1.00 0.00 C ATOM 367 O GLU A 45 8.565 5.656 2.744 1.00 0.00 O ATOM 368 CB GLU A 45 6.254 6.015 0.541 1.00 0.00 C ATOM 369 CG GLU A 45 5.966 7.289 1.323 1.00 0.00 C ATOM 370 CD GLU A 45 5.605 8.455 0.423 1.00 0.00 C ATOM 371 OE1 GLU A 45 4.822 8.251 -0.529 1.00 0.00 O ATOM 372 OE2 GLU A 45 6.106 9.572 0.670 1.00 0.00 O ATOM 0 H GLU A 45 4.748 4.220 1.360 1.00 0.00 H new ATOM 0 HA GLU A 45 7.523 4.317 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.000 6.235 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.345 5.711 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.149 7.106 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.840 7.551 1.918 1.00 0.00 H new ATOM 379 N LYS A 46 6.587 5.324 3.773 1.00 0.00 N ATOM 380 CA LYS A 46 7.078 5.746 5.083 1.00 0.00 C ATOM 381 C LYS A 46 7.973 4.665 5.677 1.00 0.00 C ATOM 382 O LYS A 46 9.107 4.930 6.075 1.00 0.00 O ATOM 383 CB LYS A 46 5.907 6.080 6.025 1.00 0.00 C ATOM 384 CG LYS A 46 5.579 5.007 7.061 1.00 0.00 C ATOM 385 CD LYS A 46 4.442 5.432 7.974 1.00 0.00 C ATOM 386 CE LYS A 46 4.032 4.304 8.907 1.00 0.00 C ATOM 387 NZ LYS A 46 4.868 4.271 10.139 1.00 0.00 N ATOM 0 H LYS A 46 5.606 5.045 3.758 1.00 0.00 H new ATOM 0 HA LYS A 46 7.670 6.653 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.136 7.009 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.018 6.264 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.310 4.081 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.466 4.796 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.748 6.299 8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.586 5.739 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.984 4.423 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.118 3.351 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.394 3.697 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.795 3.853 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.000 5.239 10.495 1.00 0.00 H new ATOM 401 N GLU A 47 7.468 3.438 5.711 1.00 0.00 N ATOM 402 CA GLU A 47 8.241 2.324 6.231 1.00 0.00 C ATOM 403 C GLU A 47 9.383 2.007 5.278 1.00 0.00 C ATOM 404 O GLU A 47 10.469 1.614 5.700 1.00 0.00 O ATOM 405 CB GLU A 47 7.354 1.092 6.413 1.00 0.00 C ATOM 406 CG GLU A 47 6.423 1.170 7.612 1.00 0.00 C ATOM 407 CD GLU A 47 7.096 1.726 8.853 1.00 0.00 C ATOM 408 OE1 GLU A 47 7.809 0.960 9.535 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.909 2.927 9.142 1.00 0.00 O ATOM 0 H GLU A 47 6.533 3.193 5.386 1.00 0.00 H new ATOM 0 HA GLU A 47 8.647 2.602 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.757 0.951 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.989 0.212 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.567 1.795 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.037 0.174 7.830 1.00 0.00 H new ATOM 416 N CYS A 48 9.124 2.198 3.988 1.00 0.00 N ATOM 417 CA CYS A 48 10.122 1.950 2.960 1.00 0.00 C ATOM 418 C CYS A 48 11.274 2.936 3.088 1.00 0.00 C ATOM 419 O CYS A 48 12.434 2.573 2.897 1.00 0.00 O ATOM 420 CB CYS A 48 9.494 2.052 1.569 1.00 0.00 C ATOM 421 SG CYS A 48 8.395 0.678 1.153 1.00 0.00 S ATOM 0 H CYS A 48 8.226 2.525 3.631 1.00 0.00 H new ATOM 0 HA CYS A 48 10.510 0.940 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.933 2.984 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.290 2.105 0.826 1.00 0.00 H new ATOM 0 HG CYS A 48 7.321 0.746 1.882 1.00 0.00 H new ATOM 427 N THR A 49 10.956 4.185 3.429 1.00 0.00 N ATOM 428 CA THR A 49 11.992 5.196 3.593 1.00 0.00 C ATOM 429 C THR A 49 12.894 4.821 4.764 1.00 0.00 C ATOM 430 O THR A 49 14.081 5.146 4.781 1.00 0.00 O ATOM 431 CB THR A 49 11.378 6.589 3.793 1.00 0.00 C ATOM 432 OG1 THR A 49 12.354 7.596 3.596 1.00 0.00 O ATOM 433 CG2 THR A 49 10.769 6.809 5.163 1.00 0.00 C ATOM 0 H THR A 49 10.005 4.514 3.594 1.00 0.00 H new ATOM 0 HA THR A 49 12.593 5.234 2.684 1.00 0.00 H new ATOM 0 HB THR A 49 10.578 6.648 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.946 8.477 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.358 7.817 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.973 6.083 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.537 6.686 5.927 1.00 0.00 H new ATOM 441 N LYS A 50 12.316 4.119 5.738 1.00 0.00 N ATOM 442 CA LYS A 50 13.057 3.678 6.910 1.00 0.00 C ATOM 443 C LYS A 50 13.952 2.489 6.568 1.00 0.00 C ATOM 444 O LYS A 50 14.988 2.280 7.198 1.00 0.00 O ATOM 445 CB LYS A 50 12.087 3.303 8.030 1.00 0.00 C ATOM 446 CG LYS A 50 11.331 4.494 8.592 1.00 0.00 C ATOM 447 CD LYS A 50 9.928 4.112 9.028 1.00 0.00 C ATOM 448 CE LYS A 50 9.303 5.194 9.890 1.00 0.00 C ATOM 449 NZ LYS A 50 9.441 4.899 11.343 1.00 0.00 N ATOM 0 H LYS A 50 11.334 3.845 5.735 1.00 0.00 H new ATOM 0 HA LYS A 50 13.691 4.498 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.372 2.572 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.641 2.820 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.877 4.904 9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.277 5.280 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.306 3.940 8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.960 3.175 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.774 6.152 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.247 5.293 9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.001 5.662 11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.969 3.998 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.449 4.830 11.589 1.00 0.00 H new ATOM 463 N ILE A 51 13.548 1.712 5.563 1.00 0.00 N ATOM 464 CA ILE A 51 14.319 0.548 5.139 1.00 0.00 C ATOM 465 C ILE A 51 15.758 0.936 4.814 1.00 0.00 C ATOM 466 O ILE A 51 16.013 1.985 4.221 1.00 0.00 O ATOM 467 CB ILE A 51 13.682 -0.134 3.907 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.263 -0.606 4.242 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.545 -1.300 3.425 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.218 -1.772 5.205 1.00 0.00 C ATOM 0 H ILE A 51 12.693 1.869 5.030 1.00 0.00 H new ATOM 0 HA ILE A 51 14.316 -0.157 5.970 1.00 0.00 H new ATOM 0 HB ILE A 51 13.623 0.594 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.704 0.227 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.757 -0.890 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.077 -1.765 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.534 -0.932 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.641 -2.036 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.181 -2.049 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.747 -2.621 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.694 -1.487 6.144 1.00 0.00 H new ATOM 606 N LEU A 60 10.160 -4.033 11.375 1.00 0.00 N ATOM 607 CA LEU A 60 9.643 -3.161 10.332 1.00 0.00 C ATOM 608 C LEU A 60 9.358 -3.968 9.070 1.00 0.00 C ATOM 609 O LEU A 60 8.223 -4.009 8.599 1.00 0.00 O ATOM 610 CB LEU A 60 10.634 -2.020 10.048 1.00 0.00 C ATOM 611 CG LEU A 60 10.836 -1.653 8.572 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.512 -1.277 7.925 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.836 -0.514 8.441 1.00 0.00 C ATOM 0 HA LEU A 60 8.708 -2.716 10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.295 -1.131 10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.602 -2.293 10.469 1.00 0.00 H new ATOM 0 HG LEU A 60 11.234 -2.525 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.678 -1.020 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.824 -2.120 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.083 -0.420 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.968 -0.265 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.464 0.360 8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.793 -0.819 8.865 1.00 0.00 H new ATOM 625 N ARG A 61 10.388 -4.616 8.527 1.00 0.00 N ATOM 626 CA ARG A 61 10.213 -5.421 7.322 1.00 0.00 C ATOM 627 C ARG A 61 9.165 -6.500 7.559 1.00 0.00 C ATOM 628 O ARG A 61 8.421 -6.863 6.648 1.00 0.00 O ATOM 629 CB ARG A 61 11.534 -6.053 6.867 1.00 0.00 C ATOM 630 CG ARG A 61 12.466 -6.432 8.004 1.00 0.00 C ATOM 631 CD ARG A 61 13.628 -5.458 8.122 1.00 0.00 C ATOM 632 NE ARG A 61 14.285 -5.215 6.840 1.00 0.00 N ATOM 633 CZ ARG A 61 14.933 -6.145 6.140 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.022 -7.390 6.589 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.505 -5.824 4.988 1.00 0.00 N ATOM 0 H ARG A 61 11.338 -4.600 8.897 1.00 0.00 H new ATOM 0 HA ARG A 61 9.872 -4.759 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.314 -6.945 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.049 -5.355 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.909 -6.451 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.850 -7.439 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.266 -4.513 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.356 -5.850 8.832 1.00 0.00 H new ATOM 0 HE ARG A 61 14.245 -4.271 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.592 -7.643 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.521 -8.094 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.448 -4.867 4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.002 -6.534 4.450 1.00 0.00 H new ATOM 649 N TYR A 62 9.087 -6.992 8.795 1.00 0.00 N ATOM 650 CA TYR A 62 8.098 -8.002 9.136 1.00 0.00 C ATOM 651 C TYR A 62 6.717 -7.375 9.097 1.00 0.00 C ATOM 652 O TYR A 62 5.821 -7.857 8.412 1.00 0.00 O ATOM 653 CB TYR A 62 8.377 -8.592 10.519 1.00 0.00 C ATOM 654 CG TYR A 62 8.910 -10.004 10.470 1.00 0.00 C ATOM 655 CD1 TYR A 62 10.273 -10.250 10.388 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.047 -11.089 10.503 1.00 0.00 C ATOM 657 CE1 TYR A 62 10.763 -11.541 10.341 1.00 0.00 C ATOM 658 CE2 TYR A 62 8.527 -12.384 10.457 1.00 0.00 C ATOM 659 CZ TYR A 62 9.885 -12.605 10.376 1.00 0.00 C ATOM 660 OH TYR A 62 10.368 -13.893 10.330 1.00 0.00 O ATOM 0 H TYR A 62 9.692 -6.709 9.566 1.00 0.00 H new ATOM 0 HA TYR A 62 8.152 -8.814 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.095 -7.958 11.039 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.458 -8.578 11.104 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.962 -9.419 10.360 1.00 0.00 H new ATOM 0 HD2 TYR A 62 6.982 -10.919 10.566 1.00 0.00 H new ATOM 0 HE1 TYR A 62 11.827 -11.716 10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.842 -13.218 10.484 1.00 0.00 H new ATOM 0 HH TYR A 62 9.619 -14.525 10.365 1.00 0.00 H new ATOM 670 N LYS A 63 6.568 -6.269 9.813 1.00 0.00 N ATOM 671 CA LYS A 63 5.310 -5.540 9.841 1.00 0.00 C ATOM 672 C LYS A 63 4.955 -5.089 8.427 1.00 0.00 C ATOM 673 O LYS A 63 3.785 -5.016 8.055 1.00 0.00 O ATOM 674 CB LYS A 63 5.435 -4.337 10.787 1.00 0.00 C ATOM 675 CG LYS A 63 4.350 -3.283 10.621 1.00 0.00 C ATOM 676 CD LYS A 63 4.877 -1.891 10.933 1.00 0.00 C ATOM 677 CE LYS A 63 5.118 -1.088 9.664 1.00 0.00 C ATOM 678 NZ LYS A 63 4.052 -0.072 9.442 1.00 0.00 N ATOM 0 H LYS A 63 7.306 -5.857 10.384 1.00 0.00 H new ATOM 0 HA LYS A 63 4.513 -6.185 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.418 -4.697 11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.406 -3.867 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.968 -3.309 9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.513 -3.513 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.164 -1.365 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.807 -1.971 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.086 -0.591 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.161 -1.763 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.242 0.443 8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.129 -0.546 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.039 0.598 10.238 1.00 0.00 H new ATOM 692 N ILE A 64 5.983 -4.785 7.645 1.00 0.00 N ATOM 693 CA ILE A 64 5.804 -4.340 6.279 1.00 0.00 C ATOM 694 C ILE A 64 5.282 -5.464 5.381 1.00 0.00 C ATOM 695 O ILE A 64 4.272 -5.303 4.696 1.00 0.00 O ATOM 696 CB ILE A 64 7.139 -3.783 5.722 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.060 -2.261 5.629 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.495 -4.394 4.372 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.133 -1.638 4.763 1.00 0.00 C ATOM 0 H ILE A 64 6.957 -4.841 7.942 1.00 0.00 H new ATOM 0 HA ILE A 64 5.056 -3.547 6.282 1.00 0.00 H new ATOM 0 HB ILE A 64 7.936 -4.061 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.083 -1.982 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.130 -1.842 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.438 -3.975 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.595 -5.474 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.707 -4.171 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.007 -0.555 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.115 -1.884 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.051 -2.026 3.747 1.00 0.00 H new ATOM 711 N GLU A 65 5.991 -6.588 5.368 1.00 0.00 N ATOM 712 CA GLU A 65 5.616 -7.721 4.526 1.00 0.00 C ATOM 713 C GLU A 65 4.494 -8.559 5.133 1.00 0.00 C ATOM 714 O GLU A 65 3.752 -9.221 4.408 1.00 0.00 O ATOM 715 CB GLU A 65 6.837 -8.606 4.268 1.00 0.00 C ATOM 716 CG GLU A 65 7.886 -7.953 3.382 1.00 0.00 C ATOM 717 CD GLU A 65 8.148 -8.736 2.110 1.00 0.00 C ATOM 718 OE1 GLU A 65 7.954 -9.970 2.122 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.546 -8.116 1.102 1.00 0.00 O ATOM 0 H GLU A 65 6.828 -6.740 5.930 1.00 0.00 H new ATOM 0 HA GLU A 65 5.243 -7.311 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.293 -8.869 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.509 -9.536 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.561 -6.945 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.817 -7.854 3.941 1.00 0.00 H new ATOM 726 N THR A 66 4.384 -8.561 6.457 1.00 0.00 N ATOM 727 CA THR A 66 3.369 -9.351 7.129 1.00 0.00 C ATOM 728 C THR A 66 2.166 -8.514 7.567 1.00 0.00 C ATOM 729 O THR A 66 1.168 -9.066 8.031 1.00 0.00 O ATOM 730 CB THR A 66 3.982 -10.048 8.340 1.00 0.00 C ATOM 731 OG1 THR A 66 4.076 -9.162 9.441 1.00 0.00 O ATOM 732 CG2 THR A 66 5.363 -10.613 8.077 1.00 0.00 C ATOM 0 H THR A 66 4.986 -8.024 7.082 1.00 0.00 H new ATOM 0 HA THR A 66 3.004 -10.087 6.413 1.00 0.00 H new ATOM 0 HB THR A 66 3.309 -10.876 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.564 -8.356 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.738 -11.094 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.309 -11.346 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.037 -9.806 7.789 1.00 0.00 H new ATOM 740 N GLU A 67 2.249 -7.190 7.435 1.00 0.00 N ATOM 741 CA GLU A 67 1.138 -6.334 7.845 1.00 0.00 C ATOM 742 C GLU A 67 0.834 -5.239 6.815 1.00 0.00 C ATOM 743 O GLU A 67 -0.326 -5.021 6.470 1.00 0.00 O ATOM 744 CB GLU A 67 1.420 -5.726 9.230 1.00 0.00 C ATOM 745 CG GLU A 67 1.103 -4.240 9.350 1.00 0.00 C ATOM 746 CD GLU A 67 -0.380 -3.949 9.232 1.00 0.00 C ATOM 747 OE1 GLU A 67 -1.146 -4.404 10.108 1.00 0.00 O ATOM 748 OE2 GLU A 67 -0.776 -3.265 8.264 1.00 0.00 O ATOM 0 H GLU A 67 3.056 -6.696 7.055 1.00 0.00 H new ATOM 0 HA GLU A 67 0.247 -6.959 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.839 -6.269 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.472 -5.880 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.467 -3.871 10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.640 -3.694 8.574 1.00 0.00 H new ATOM 755 N LEU A 68 1.861 -4.540 6.337 1.00 0.00 N ATOM 756 CA LEU A 68 1.647 -3.466 5.368 1.00 0.00 C ATOM 757 C LEU A 68 1.264 -4.017 3.995 1.00 0.00 C ATOM 758 O LEU A 68 0.079 -4.161 3.695 1.00 0.00 O ATOM 759 CB LEU A 68 2.884 -2.569 5.261 1.00 0.00 C ATOM 760 CG LEU A 68 3.153 -1.688 6.485 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.272 -0.697 6.197 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.888 -0.954 6.906 1.00 0.00 C ATOM 0 H LEU A 68 2.835 -4.693 6.599 1.00 0.00 H new ATOM 0 HA LEU A 68 0.814 -2.863 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.757 -3.198 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.774 -1.927 4.387 1.00 0.00 H new ATOM 0 HG LEU A 68 3.467 -2.332 7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.448 -0.081 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.183 -1.240 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.987 -0.060 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.100 -0.334 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.543 -0.323 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.113 -1.679 7.157 1.00 0.00 H new ATOM 774 N ILE A 69 2.264 -4.315 3.160 1.00 0.00 N ATOM 775 CA ILE A 69 2.021 -4.841 1.814 1.00 0.00 C ATOM 776 C ILE A 69 0.820 -5.794 1.785 1.00 0.00 C ATOM 777 O ILE A 69 -0.115 -5.593 1.010 1.00 0.00 O ATOM 778 CB ILE A 69 3.277 -5.553 1.252 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.266 -4.519 0.707 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.908 -6.551 0.158 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.464 -4.290 1.597 1.00 0.00 C ATOM 0 H ILE A 69 3.250 -4.201 3.393 1.00 0.00 H new ATOM 0 HA ILE A 69 1.792 -3.986 1.178 1.00 0.00 H new ATOM 0 HB ILE A 69 3.744 -6.105 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.612 -4.843 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.745 -3.572 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.812 -7.033 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.236 -7.306 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.412 -6.028 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.117 -3.545 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.130 -3.934 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.010 -5.225 1.720 1.00 0.00 H new ATOM 793 N PRO A 70 0.823 -6.843 2.627 1.00 0.00 N ATOM 794 CA PRO A 70 -0.277 -7.808 2.679 1.00 0.00 C ATOM 795 C PRO A 70 -1.635 -7.128 2.806 1.00 0.00 C ATOM 796 O PRO A 70 -2.623 -7.583 2.233 1.00 0.00 O ATOM 797 CB PRO A 70 0.018 -8.645 3.933 1.00 0.00 C ATOM 798 CG PRO A 70 1.126 -7.938 4.643 1.00 0.00 C ATOM 799 CD PRO A 70 1.878 -7.176 3.591 1.00 0.00 C ATOM 0 HA PRO A 70 -0.332 -8.400 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.865 -8.724 4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.310 -9.660 3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.733 -7.265 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.779 -8.648 5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.353 -6.283 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.666 -7.778 3.139 1.00 0.00 H new ATOM 807 N ASN A 71 -1.676 -6.038 3.565 1.00 0.00 N ATOM 808 CA ASN A 71 -2.914 -5.296 3.770 1.00 0.00 C ATOM 809 C ASN A 71 -3.145 -4.287 2.651 1.00 0.00 C ATOM 810 O ASN A 71 -4.281 -4.065 2.232 1.00 0.00 O ATOM 811 CB ASN A 71 -2.890 -4.578 5.121 1.00 0.00 C ATOM 812 CG ASN A 71 -3.121 -5.523 6.284 1.00 0.00 C ATOM 813 OD1 ASN A 71 -3.697 -6.599 6.120 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.672 -5.125 7.470 1.00 0.00 N ATOM 0 H ASN A 71 -0.866 -5.649 4.048 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.735 -6.012 3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.929 -4.080 5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.655 -3.802 5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.799 -5.719 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.200 -4.225 7.561 1.00 0.00 H new ATOM 821 N CYS A 72 -2.066 -3.680 2.164 1.00 0.00 N ATOM 822 CA CYS A 72 -2.173 -2.701 1.089 1.00 0.00 C ATOM 823 C CYS A 72 -2.714 -3.363 -0.168 1.00 0.00 C ATOM 824 O CYS A 72 -3.731 -2.939 -0.718 1.00 0.00 O ATOM 825 CB CYS A 72 -0.817 -2.054 0.793 1.00 0.00 C ATOM 826 SG CYS A 72 0.158 -1.648 2.260 1.00 0.00 S ATOM 0 H CYS A 72 -1.116 -3.848 2.494 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.861 -1.920 1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.237 -2.728 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.982 -1.143 0.218 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.174 -2.442 3.235 1.00 0.00 H new ATOM 832 N THR A 73 -2.037 -4.416 -0.612 1.00 0.00 N ATOM 833 CA THR A 73 -2.466 -5.142 -1.796 1.00 0.00 C ATOM 834 C THR A 73 -3.822 -5.788 -1.537 1.00 0.00 C ATOM 835 O THR A 73 -4.717 -5.731 -2.379 1.00 0.00 O ATOM 836 CB THR A 73 -1.428 -6.197 -2.185 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.582 -6.577 -3.540 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.502 -7.453 -1.345 1.00 0.00 C ATOM 0 H THR A 73 -1.194 -4.783 -0.171 1.00 0.00 H new ATOM 0 HA THR A 73 -2.561 -4.443 -2.627 1.00 0.00 H new ATOM 0 HB THR A 73 -0.461 -5.724 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.908 -7.251 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.738 -8.157 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.335 -7.201 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.487 -7.907 -1.456 1.00 0.00 H new ATOM 846 N SER A 74 -3.985 -6.374 -0.351 1.00 0.00 N ATOM 847 CA SER A 74 -5.257 -6.986 0.012 1.00 0.00 C ATOM 848 C SER A 74 -6.356 -5.938 -0.101 1.00 0.00 C ATOM 849 O SER A 74 -7.505 -6.245 -0.419 1.00 0.00 O ATOM 850 CB SER A 74 -5.205 -7.545 1.435 1.00 0.00 C ATOM 851 OG SER A 74 -6.498 -7.902 1.891 1.00 0.00 O ATOM 0 H SER A 74 -3.261 -6.436 0.365 1.00 0.00 H new ATOM 0 HA SER A 74 -5.463 -7.815 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.553 -8.418 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.772 -6.802 2.105 1.00 0.00 H new ATOM 0 HG SER A 74 -6.437 -8.258 2.802 1.00 0.00 H new ATOM 857 N VAL A 75 -5.967 -4.687 0.138 1.00 0.00 N ATOM 858 CA VAL A 75 -6.877 -3.562 0.044 1.00 0.00 C ATOM 859 C VAL A 75 -7.228 -3.312 -1.425 1.00 0.00 C ATOM 860 O VAL A 75 -8.326 -2.857 -1.745 1.00 0.00 O ATOM 861 CB VAL A 75 -6.241 -2.304 0.699 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.278 -1.090 -0.215 1.00 0.00 C ATOM 863 CG2 VAL A 75 -6.915 -1.992 2.027 1.00 0.00 C ATOM 0 H VAL A 75 -5.015 -4.432 0.401 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.797 -3.786 0.583 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.191 -2.537 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.821 -0.239 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.727 -1.307 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.313 -0.852 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.455 -1.108 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.976 -1.805 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.797 -2.839 2.703 1.00 0.00 H new ATOM 873 N ARG A 76 -6.291 -3.650 -2.314 1.00 0.00 N ATOM 874 CA ARG A 76 -6.503 -3.502 -3.749 1.00 0.00 C ATOM 875 C ARG A 76 -7.574 -4.480 -4.206 1.00 0.00 C ATOM 876 O ARG A 76 -8.598 -4.084 -4.756 1.00 0.00 O ATOM 877 CB ARG A 76 -5.211 -3.785 -4.518 1.00 0.00 C ATOM 878 CG ARG A 76 -4.092 -2.795 -4.247 1.00 0.00 C ATOM 879 CD ARG A 76 -2.806 -3.222 -4.938 1.00 0.00 C ATOM 880 NE ARG A 76 -3.001 -3.435 -6.370 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.021 -3.751 -7.213 1.00 0.00 C ATOM 882 NH1 ARG A 76 -0.777 -3.891 -6.772 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.285 -3.928 -8.500 1.00 0.00 N ATOM 0 H ARG A 76 -5.378 -4.028 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.818 -2.478 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.863 -4.787 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.430 -3.784 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.385 -1.805 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.923 -2.717 -3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.042 -2.460 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.436 -4.140 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.944 -3.336 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.568 -3.756 -5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.030 -4.133 -7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.239 -3.822 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.534 -4.170 -9.146 1.00 0.00 H new ATOM 897 N ASP A 77 -7.326 -5.767 -3.960 1.00 0.00 N ATOM 898 CA ASP A 77 -8.270 -6.815 -4.334 1.00 0.00 C ATOM 899 C ASP A 77 -9.674 -6.443 -3.878 1.00 0.00 C ATOM 900 O ASP A 77 -10.659 -6.734 -4.556 1.00 0.00 O ATOM 901 CB ASP A 77 -7.855 -8.152 -3.717 1.00 0.00 C ATOM 902 CG ASP A 77 -8.100 -9.321 -4.652 1.00 0.00 C ATOM 903 OD1 ASP A 77 -9.265 -9.528 -5.051 1.00 0.00 O ATOM 904 OD2 ASP A 77 -7.127 -10.030 -4.984 1.00 0.00 O ATOM 0 H ASP A 77 -6.479 -6.106 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.265 -6.915 -5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.798 -8.115 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.408 -8.309 -2.791 1.00 0.00 H new ATOM 909 N LYS A 78 -9.751 -5.774 -2.732 1.00 0.00 N ATOM 910 CA LYS A 78 -11.028 -5.337 -2.194 1.00 0.00 C ATOM 911 C LYS A 78 -11.609 -4.248 -3.083 1.00 0.00 C ATOM 912 O LYS A 78 -12.806 -4.234 -3.373 1.00 0.00 O ATOM 913 CB LYS A 78 -10.855 -4.820 -0.763 1.00 0.00 C ATOM 914 CG LYS A 78 -10.796 -5.924 0.279 1.00 0.00 C ATOM 915 CD LYS A 78 -11.267 -5.433 1.638 1.00 0.00 C ATOM 916 CE LYS A 78 -10.194 -4.611 2.333 1.00 0.00 C ATOM 917 NZ LYS A 78 -9.183 -5.472 3.006 1.00 0.00 N ATOM 0 H LYS A 78 -8.944 -5.524 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.714 -6.184 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.941 -4.230 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.682 -4.151 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.416 -6.761 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.775 -6.296 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.167 -4.831 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.535 -6.286 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.698 -3.971 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.659 -3.955 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.469 -4.873 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.652 -6.065 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.721 -6.080 2.301 1.00 0.00 H new ATOM 931 N ILE A 79 -10.741 -3.348 -3.530 1.00 0.00 N ATOM 932 CA ILE A 79 -11.146 -2.263 -4.405 1.00 0.00 C ATOM 933 C ILE A 79 -11.462 -2.800 -5.797 1.00 0.00 C ATOM 934 O ILE A 79 -12.489 -2.465 -6.386 1.00 0.00 O ATOM 935 CB ILE A 79 -10.037 -1.195 -4.496 1.00 0.00 C ATOM 936 CG1 ILE A 79 -9.944 -0.424 -3.180 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.282 -0.247 -5.659 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.619 0.275 -2.982 1.00 0.00 C ATOM 0 H ILE A 79 -9.748 -3.352 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.041 -1.802 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.088 -1.700 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.744 0.315 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.109 -1.113 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.484 0.495 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.299 -0.812 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.239 0.256 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.625 0.802 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.815 -0.461 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.460 0.989 -3.790 1.00 0.00 H new ATOM 950 N GLU A 80 -10.573 -3.643 -6.309 1.00 0.00 N ATOM 951 CA GLU A 80 -10.758 -4.237 -7.623 1.00 0.00 C ATOM 952 C GLU A 80 -11.959 -5.174 -7.613 1.00 0.00 C ATOM 953 O GLU A 80 -12.660 -5.311 -8.616 1.00 0.00 O ATOM 954 CB GLU A 80 -9.501 -4.999 -8.048 1.00 0.00 C ATOM 955 CG GLU A 80 -8.246 -4.143 -8.058 1.00 0.00 C ATOM 956 CD GLU A 80 -7.059 -4.858 -8.674 1.00 0.00 C ATOM 957 OE1 GLU A 80 -6.519 -5.779 -8.026 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.670 -4.498 -9.805 1.00 0.00 O ATOM 0 H GLU A 80 -9.718 -3.929 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.940 -3.437 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.351 -5.841 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.656 -5.413 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.441 -3.225 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.001 -3.852 -7.037 1.00 0.00 H new ATOM 965 N SER A 81 -12.200 -5.808 -6.467 1.00 0.00 N ATOM 966 CA SER A 81 -13.329 -6.718 -6.329 1.00 0.00 C ATOM 967 C SER A 81 -14.634 -5.955 -6.506 1.00 0.00 C ATOM 968 O SER A 81 -15.615 -6.485 -7.028 1.00 0.00 O ATOM 969 CB SER A 81 -13.301 -7.403 -4.961 1.00 0.00 C ATOM 970 OG SER A 81 -12.489 -8.564 -4.988 1.00 0.00 O ATOM 0 H SER A 81 -11.631 -5.708 -5.627 1.00 0.00 H new ATOM 0 HA SER A 81 -13.257 -7.484 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.923 -6.708 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.315 -7.671 -4.665 1.00 0.00 H new ATOM 0 HG SER A 81 -11.553 -8.312 -4.845 1.00 0.00 H new ATOM 976 N ASN A 82 -14.628 -4.699 -6.072 1.00 0.00 N ATOM 977 CA ASN A 82 -15.797 -3.840 -6.184 1.00 0.00 C ATOM 978 C ASN A 82 -15.945 -3.329 -7.615 1.00 0.00 C ATOM 979 O ASN A 82 -15.269 -2.384 -8.019 1.00 0.00 O ATOM 980 CB ASN A 82 -15.665 -2.668 -5.213 1.00 0.00 C ATOM 981 CG ASN A 82 -16.982 -1.970 -4.955 1.00 0.00 C ATOM 982 OD1 ASN A 82 -17.993 -2.608 -4.661 1.00 0.00 O ATOM 983 ND2 ASN A 82 -16.972 -0.650 -5.065 1.00 0.00 N ATOM 0 H ASN A 82 -13.820 -4.253 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.688 -4.415 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.259 -3.029 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.950 -1.949 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.827 -0.118 -4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.109 -0.165 -5.311 1.00 0.00 H new ATOM 990 N ILE A 83 -16.823 -3.971 -8.381 1.00 0.00 N ATOM 991 CA ILE A 83 -17.051 -3.599 -9.777 1.00 0.00 C ATOM 992 C ILE A 83 -17.233 -2.093 -9.952 1.00 0.00 C ATOM 993 O ILE A 83 -16.887 -1.539 -10.996 1.00 0.00 O ATOM 994 CB ILE A 83 -18.280 -4.327 -10.359 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.366 -4.098 -11.869 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.553 -3.855 -9.673 1.00 0.00 C ATOM 997 CD1 ILE A 83 -17.128 -4.538 -12.620 1.00 0.00 C ATOM 0 H ILE A 83 -17.391 -4.754 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.157 -3.905 -10.321 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.170 -5.396 -10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.229 -4.636 -12.261 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.538 -3.038 -12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.410 -4.379 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.490 -4.065 -8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.672 -2.782 -9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -17.261 -4.345 -13.685 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.264 -3.982 -12.255 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.966 -5.604 -12.462 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.774 -1.432 -8.934 1.00 0.00 N ATOM 1010 CA LEU A 84 -17.991 0.009 -8.997 1.00 0.00 C ATOM 1011 C LEU A 84 -16.705 0.740 -9.376 1.00 0.00 C ATOM 1012 O LEU A 84 -16.745 1.863 -9.877 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.515 0.529 -7.658 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.033 0.459 -7.489 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.400 0.328 -6.019 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.694 1.686 -8.098 1.00 0.00 C ATOM 0 H LEU A 84 -18.069 -1.868 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.736 0.203 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.048 -0.042 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.198 1.565 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.398 -0.424 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.484 0.280 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.957 -0.581 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.023 1.192 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.774 1.619 -7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.324 2.583 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.458 1.736 -9.161 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.564 0.092 -9.145 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.275 0.683 -9.476 1.00 0.00 C ATOM 1030 C ILE A 85 -14.091 0.763 -10.990 1.00 0.00 C ATOM 1031 O ILE A 85 -13.360 1.615 -11.494 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.110 -0.119 -8.855 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.776 0.585 -9.108 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.078 -1.536 -9.408 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.299 1.413 -7.936 1.00 0.00 C ATOM 0 H ILE A 85 -15.509 -0.839 -8.731 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.263 1.690 -9.058 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.271 -0.175 -7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.019 -0.162 -9.346 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.874 1.229 -9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.250 -2.084 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.016 -2.039 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.945 -1.502 -10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.348 1.883 -8.186 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.036 2.183 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.168 0.770 -7.066 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.768 -0.127 -11.711 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.685 -0.153 -13.166 1.00 0.00 C ATOM 1049 C HIS A 86 -15.715 0.787 -13.787 1.00 0.00 C ATOM 1050 O HIS A 86 -15.522 1.293 -14.892 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.899 -1.576 -13.685 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.749 -2.493 -13.407 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.820 -2.847 -14.363 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.378 -3.131 -12.271 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -11.930 -3.664 -13.828 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -12.245 -3.851 -12.560 1.00 0.00 N ATOM 0 H HIS A 86 -15.379 -0.839 -11.310 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.690 0.186 -13.454 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.800 -1.988 -13.231 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.072 -1.540 -14.760 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.880 -3.082 -11.316 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.088 -4.104 -14.341 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.730 -4.436 -11.901 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.810 1.015 -13.068 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.873 1.892 -13.545 1.00 0.00 C ATOM 1067 C GLN A 87 -17.521 3.355 -13.289 1.00 0.00 C ATOM 1068 O GLN A 87 -17.660 4.204 -14.170 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.200 1.522 -12.865 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.651 2.492 -11.780 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.980 2.100 -11.163 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.880 2.927 -11.023 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.109 0.832 -10.789 1.00 0.00 N ATOM 0 H GLN A 87 -16.984 0.603 -12.151 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.983 1.759 -14.621 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.978 1.462 -13.626 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.104 0.528 -12.428 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.891 2.537 -10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.732 3.493 -12.204 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.337 0.179 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.980 0.511 -10.367 1.00 0.00 H new ATOM 1082 N ASN A 88 -17.070 3.637 -12.073 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.701 4.995 -11.690 1.00 0.00 C ATOM 1084 C ASN A 88 -15.313 5.351 -12.215 1.00 0.00 C ATOM 1085 O ASN A 88 -14.300 4.962 -11.635 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.736 5.146 -10.167 1.00 0.00 C ATOM 1087 CG ASN A 88 -18.029 5.767 -9.677 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.992 5.902 -10.432 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.057 6.151 -8.406 1.00 0.00 N ATOM 0 H ASN A 88 -16.951 2.944 -11.335 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.425 5.679 -12.133 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.608 4.167 -9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.896 5.762 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.900 6.577 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.236 6.020 -7.815 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.278 6.093 -13.318 1.00 0.00 N ATOM 1097 CA GLY A 89 -14.012 6.491 -13.907 1.00 0.00 C ATOM 1098 C GLY A 89 -13.125 7.237 -12.930 1.00 0.00 C ATOM 1099 O GLY A 89 -11.919 7.000 -12.870 1.00 0.00 O ATOM 0 H GLY A 89 -16.104 6.426 -13.815 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.487 5.605 -14.265 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.202 7.122 -14.775 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.725 8.140 -12.160 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.981 8.921 -11.178 1.00 0.00 C ATOM 1105 C LYS A 90 -12.288 8.007 -10.173 1.00 0.00 C ATOM 1106 O LYS A 90 -11.060 7.958 -10.109 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.915 9.887 -10.448 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.235 11.172 -10.004 1.00 0.00 C ATOM 1109 CD LYS A 90 -13.910 11.766 -8.779 1.00 0.00 C ATOM 1110 CE LYS A 90 -15.240 12.410 -9.134 1.00 0.00 C ATOM 1111 NZ LYS A 90 -15.059 13.660 -9.923 1.00 0.00 N ATOM 0 H LYS A 90 -14.723 8.349 -12.197 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.220 9.495 -11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.751 10.135 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.332 9.386 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.187 10.972 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.256 11.896 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.070 10.985 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.254 12.509 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.844 11.705 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.790 12.634 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.948 14.199 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.308 14.236 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.794 13.419 -10.899 1.00 0.00 H new ATOM 1125 N LEU A 91 -13.084 7.282 -9.392 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.544 6.369 -8.393 1.00 0.00 C ATOM 1127 C LEU A 91 -11.591 5.366 -9.028 1.00 0.00 C ATOM 1128 O LEU A 91 -10.551 5.036 -8.458 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.674 5.630 -7.684 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.209 6.327 -6.438 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.412 5.578 -5.892 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.118 6.444 -5.381 1.00 0.00 C ATOM 0 H LEU A 91 -14.103 7.310 -9.432 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.989 6.960 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.496 5.491 -8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.321 4.637 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.526 7.334 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.784 6.086 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.196 5.549 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.120 4.560 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.518 6.944 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.769 5.449 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.285 7.023 -5.780 1.00 0.00 H new ATOM 1144 N SER A 92 -11.950 4.888 -10.216 1.00 0.00 N ATOM 1145 CA SER A 92 -11.121 3.926 -10.935 1.00 0.00 C ATOM 1146 C SER A 92 -9.669 4.386 -10.950 1.00 0.00 C ATOM 1147 O SER A 92 -8.747 3.588 -10.780 1.00 0.00 O ATOM 1148 CB SER A 92 -11.629 3.749 -12.368 1.00 0.00 C ATOM 1149 OG SER A 92 -10.997 2.650 -13.001 1.00 0.00 O ATOM 0 H SER A 92 -12.808 5.151 -10.701 1.00 0.00 H new ATOM 0 HA SER A 92 -11.181 2.967 -10.421 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.708 3.596 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.441 4.659 -12.939 1.00 0.00 H new ATOM 0 HG SER A 92 -11.475 1.824 -12.777 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.480 5.687 -11.134 1.00 0.00 N ATOM 1156 CA ALA A 93 -8.147 6.272 -11.152 1.00 0.00 C ATOM 1157 C ALA A 93 -7.587 6.360 -9.737 1.00 0.00 C ATOM 1158 O ALA A 93 -6.378 6.269 -9.526 1.00 0.00 O ATOM 1159 CB ALA A 93 -8.185 7.651 -11.793 1.00 0.00 C ATOM 0 H ALA A 93 -10.236 6.358 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.494 5.631 -11.744 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.182 8.077 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.550 7.567 -12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.850 8.299 -11.223 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.484 6.535 -8.769 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.100 6.633 -7.365 1.00 0.00 C ATOM 1167 C ASP A 94 -7.147 5.506 -6.975 1.00 0.00 C ATOM 1168 O ASP A 94 -5.961 5.736 -6.746 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.342 6.594 -6.473 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.297 7.636 -5.373 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.524 7.450 -4.410 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.035 8.639 -5.475 1.00 0.00 O ATOM 0 H ASP A 94 -9.488 6.612 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.585 7.583 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.230 6.753 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.435 5.603 -6.028 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.677 4.290 -6.903 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.883 3.123 -6.540 1.00 0.00 C ATOM 1179 C PHE A 95 -5.740 2.908 -7.533 1.00 0.00 C ATOM 1180 O PHE A 95 -4.626 2.555 -7.145 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.786 1.888 -6.472 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.205 0.656 -7.108 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.340 0.447 -8.470 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.526 -0.288 -6.351 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -6.810 -0.680 -9.068 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -5.995 -1.415 -6.945 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.136 -1.612 -8.304 1.00 0.00 C ATOM 0 H PHE A 95 -8.658 4.087 -7.092 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.438 3.291 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.007 1.672 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.734 2.119 -6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.866 1.173 -9.072 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.412 -0.140 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.923 -0.832 -10.131 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.469 -2.143 -6.346 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.720 -2.494 -8.769 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.026 3.117 -8.816 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.024 2.940 -9.865 1.00 0.00 C ATOM 1199 C LYS A 96 -3.744 3.701 -9.537 1.00 0.00 C ATOM 1200 O LYS A 96 -2.639 3.203 -9.755 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.577 3.411 -11.211 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.450 2.378 -11.904 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.294 3.007 -13.002 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.849 2.550 -14.382 1.00 0.00 C ATOM 1205 NZ LYS A 96 -5.987 3.563 -15.052 1.00 0.00 N ATOM 0 H LYS A 96 -6.943 3.409 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.786 1.878 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.157 4.321 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.745 3.670 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.821 1.596 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.101 1.900 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.341 2.745 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.225 4.093 -12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.304 1.610 -14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.726 2.354 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.705 3.213 -15.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.515 4.452 -15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.138 3.732 -14.476 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.902 4.908 -9.007 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.760 5.739 -8.643 1.00 0.00 C ATOM 1221 C ASN A 97 -2.088 5.205 -7.384 1.00 0.00 C ATOM 1222 O ASN A 97 -0.867 5.267 -7.244 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.204 7.186 -8.421 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.216 8.188 -8.982 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -1.247 8.560 -8.320 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.456 8.632 -10.211 1.00 0.00 N ATOM 0 H ASN A 97 -4.810 5.334 -8.820 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.042 5.710 -9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.177 7.340 -8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.331 7.364 -7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.825 9.308 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.271 8.297 -10.724 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.897 4.678 -6.473 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.387 4.129 -5.224 1.00 0.00 C ATOM 1235 C LEU A 98 -1.620 2.839 -5.479 1.00 0.00 C ATOM 1236 O LEU A 98 -0.435 2.738 -5.164 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.537 3.876 -4.249 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.515 5.041 -4.095 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.837 4.563 -3.517 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.914 6.130 -3.223 1.00 0.00 C ATOM 0 H LEU A 98 -3.910 4.619 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.704 4.855 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.090 2.997 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.120 3.639 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.707 5.458 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.517 5.409 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.278 3.820 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.666 4.117 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.624 6.951 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.690 5.724 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.996 6.498 -3.681 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.298 1.854 -6.060 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.663 0.576 -6.364 1.00 0.00 C ATOM 1254 C LYS A 99 -0.426 0.798 -7.222 1.00 0.00 C ATOM 1255 O LYS A 99 0.561 0.072 -7.109 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.639 -0.361 -7.083 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.256 0.243 -8.336 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.152 -0.702 -9.524 1.00 0.00 C ATOM 1259 CE LYS A 99 -2.753 0.036 -10.792 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.772 -0.856 -11.983 1.00 0.00 N ATOM 0 H LYS A 99 -3.280 1.915 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.368 0.109 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.116 -1.279 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.436 -0.639 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.304 0.479 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.755 1.182 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.419 -1.479 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.109 -1.201 -9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.433 0.873 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.755 0.456 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.494 -0.315 -12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.105 -1.641 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.731 -1.237 -12.116 1.00 0.00 H new ATOM 1274 N THR A 100 -0.485 1.820 -8.067 1.00 0.00 N ATOM 1275 CA THR A 100 0.631 2.159 -8.935 1.00 0.00 C ATOM 1276 C THR A 100 1.792 2.690 -8.104 1.00 0.00 C ATOM 1277 O THR A 100 2.902 2.159 -8.158 1.00 0.00 O ATOM 1278 CB THR A 100 0.190 3.197 -9.973 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.513 2.575 -11.035 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.335 3.979 -10.581 1.00 0.00 C ATOM 0 H THR A 100 -1.297 2.429 -8.168 1.00 0.00 H new ATOM 0 HA THR A 100 0.962 1.263 -9.461 1.00 0.00 H new ATOM 0 HB THR A 100 -0.445 3.892 -9.424 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.466 2.792 -10.968 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.944 4.693 -11.306 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.868 4.514 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.019 3.293 -11.081 1.00 0.00 H new ATOM 1288 N LYS A 101 1.527 3.734 -7.325 1.00 0.00 N ATOM 1289 CA LYS A 101 2.552 4.320 -6.476 1.00 0.00 C ATOM 1290 C LYS A 101 3.065 3.277 -5.492 1.00 0.00 C ATOM 1291 O LYS A 101 4.256 3.220 -5.194 1.00 0.00 O ATOM 1292 CB LYS A 101 2.001 5.546 -5.732 1.00 0.00 C ATOM 1293 CG LYS A 101 1.187 5.215 -4.488 1.00 0.00 C ATOM 1294 CD LYS A 101 0.959 6.449 -3.630 1.00 0.00 C ATOM 1295 CE LYS A 101 2.083 6.642 -2.624 1.00 0.00 C ATOM 1296 NZ LYS A 101 3.377 6.956 -3.290 1.00 0.00 N ATOM 0 H LYS A 101 0.615 4.188 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 101 3.382 4.651 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.835 6.187 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.378 6.121 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.226 4.792 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.705 4.454 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.885 7.329 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.009 6.357 -3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.822 7.449 -1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.193 5.738 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.037 7.358 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.782 6.085 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.217 7.645 -4.053 1.00 0.00 H new ATOM 1310 N TYR A 102 2.149 2.446 -5.003 1.00 0.00 N ATOM 1311 CA TYR A 102 2.492 1.391 -4.058 1.00 0.00 C ATOM 1312 C TYR A 102 3.530 0.447 -4.662 1.00 0.00 C ATOM 1313 O TYR A 102 4.456 0.009 -3.980 1.00 0.00 O ATOM 1314 CB TYR A 102 1.227 0.622 -3.657 1.00 0.00 C ATOM 1315 CG TYR A 102 1.485 -0.754 -3.081 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.217 -0.918 -1.911 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.990 -1.889 -3.710 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.449 -2.176 -1.386 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.218 -3.149 -3.190 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.946 -3.285 -2.030 1.00 0.00 C ATOM 1321 OH TYR A 102 2.173 -4.536 -1.513 1.00 0.00 O ATOM 0 H TYR A 102 1.160 2.484 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 102 2.926 1.842 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.676 1.211 -2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.586 0.521 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.611 -0.049 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.418 -1.785 -4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.021 -2.288 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.827 -4.022 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 102 2.203 -5.191 -2.242 1.00 0.00 H new ATOM 1331 N GLN A 103 3.369 0.138 -5.945 1.00 0.00 N ATOM 1332 CA GLN A 103 4.294 -0.752 -6.637 1.00 0.00 C ATOM 1333 C GLN A 103 5.712 -0.198 -6.596 1.00 0.00 C ATOM 1334 O GLN A 103 6.674 -0.939 -6.400 1.00 0.00 O ATOM 1335 CB GLN A 103 3.856 -0.957 -8.089 1.00 0.00 C ATOM 1336 CG GLN A 103 2.554 -1.728 -8.233 1.00 0.00 C ATOM 1337 CD GLN A 103 2.647 -2.845 -9.253 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.835 -4.009 -8.902 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.514 -2.494 -10.527 1.00 0.00 N ATOM 0 H GLN A 103 2.608 0.490 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 103 4.282 -1.714 -6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.746 0.017 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.643 -1.488 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.275 -2.147 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.760 -1.041 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.359 -1.516 -10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.567 -3.202 -11.259 1.00 0.00 H new ATOM 1348 N SER A 104 5.835 1.108 -6.778 1.00 0.00 N ATOM 1349 CA SER A 104 7.138 1.757 -6.752 1.00 0.00 C ATOM 1350 C SER A 104 7.766 1.634 -5.372 1.00 0.00 C ATOM 1351 O SER A 104 8.979 1.476 -5.239 1.00 0.00 O ATOM 1352 CB SER A 104 7.000 3.231 -7.115 1.00 0.00 C ATOM 1353 OG SER A 104 6.294 3.396 -8.333 1.00 0.00 O ATOM 0 H SER A 104 5.051 1.738 -6.945 1.00 0.00 H new ATOM 0 HA SER A 104 7.780 1.263 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.479 3.758 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.989 3.681 -7.201 1.00 0.00 H new ATOM 0 HG SER A 104 6.219 4.351 -8.541 1.00 0.00 H new ATOM 1359 N LEU A 105 6.927 1.714 -4.347 1.00 0.00 N ATOM 1360 CA LEU A 105 7.390 1.619 -2.975 1.00 0.00 C ATOM 1361 C LEU A 105 7.935 0.234 -2.681 1.00 0.00 C ATOM 1362 O LEU A 105 9.060 0.091 -2.207 1.00 0.00 O ATOM 1363 CB LEU A 105 6.246 1.938 -2.014 1.00 0.00 C ATOM 1364 CG LEU A 105 5.501 3.240 -2.298 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.219 3.311 -1.481 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.393 4.434 -2.005 1.00 0.00 C ATOM 0 H LEU A 105 5.920 1.845 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 105 8.193 2.343 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.531 1.116 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.645 1.980 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 105 5.232 3.263 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.702 4.246 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.575 2.471 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.461 3.267 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.848 5.355 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.691 4.417 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.281 4.388 -2.636 1.00 0.00 H new ATOM 1378 N GLN A 106 7.137 -0.788 -2.965 1.00 0.00 N ATOM 1379 CA GLN A 106 7.568 -2.165 -2.720 1.00 0.00 C ATOM 1380 C GLN A 106 8.871 -2.445 -3.457 1.00 0.00 C ATOM 1381 O GLN A 106 9.788 -3.064 -2.919 1.00 0.00 O ATOM 1382 CB GLN A 106 6.506 -3.190 -3.148 1.00 0.00 C ATOM 1383 CG GLN A 106 5.405 -2.644 -4.044 1.00 0.00 C ATOM 1384 CD GLN A 106 4.760 -3.726 -4.890 1.00 0.00 C ATOM 1385 OE1 GLN A 106 5.011 -3.822 -6.091 1.00 0.00 O ATOM 1386 NE2 GLN A 106 3.924 -4.546 -4.265 1.00 0.00 N ATOM 0 H GLN A 106 6.201 -0.696 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 106 7.718 -2.269 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.003 -4.009 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.049 -3.611 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.643 -2.165 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.819 -1.875 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.746 -4.429 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.460 -5.293 -4.782 1.00 0.00 H new ATOM 1395 N GLN A 107 8.933 -1.979 -4.695 1.00 0.00 N ATOM 1396 CA GLN A 107 10.107 -2.161 -5.535 1.00 0.00 C ATOM 1397 C GLN A 107 11.296 -1.373 -4.994 1.00 0.00 C ATOM 1398 O GLN A 107 12.381 -1.920 -4.799 1.00 0.00 O ATOM 1399 CB GLN A 107 9.770 -1.734 -6.973 1.00 0.00 C ATOM 1400 CG GLN A 107 10.480 -0.477 -7.458 1.00 0.00 C ATOM 1401 CD GLN A 107 10.295 -0.242 -8.944 1.00 0.00 C ATOM 1402 OE1 GLN A 107 9.510 0.612 -9.357 1.00 0.00 O ATOM 1403 NE2 GLN A 107 11.020 -1.001 -9.758 1.00 0.00 N ATOM 0 H GLN A 107 8.174 -1.466 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 107 10.389 -3.214 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.017 -2.555 -7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.694 -1.575 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.103 0.385 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.544 -0.556 -7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.659 -1.697 -9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.938 -0.888 -10.768 1.00 0.00 H new ATOM 1412 N SER A 108 11.082 -0.083 -4.767 1.00 0.00 N ATOM 1413 CA SER A 108 12.137 0.790 -4.260 1.00 0.00 C ATOM 1414 C SER A 108 12.679 0.285 -2.926 1.00 0.00 C ATOM 1415 O SER A 108 13.875 0.386 -2.648 1.00 0.00 O ATOM 1416 CB SER A 108 11.611 2.217 -4.100 1.00 0.00 C ATOM 1417 OG SER A 108 12.677 3.145 -3.990 1.00 0.00 O ATOM 0 H SER A 108 10.189 0.383 -4.925 1.00 0.00 H new ATOM 0 HA SER A 108 12.952 0.785 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.987 2.476 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.979 2.278 -3.214 1.00 0.00 H new ATOM 0 HG SER A 108 12.314 4.050 -3.890 1.00 0.00 H new ATOM 1423 N TYR A 109 11.787 -0.248 -2.102 1.00 0.00 N ATOM 1424 CA TYR A 109 12.160 -0.760 -0.789 1.00 0.00 C ATOM 1425 C TYR A 109 12.710 -2.177 -0.881 1.00 0.00 C ATOM 1426 O TYR A 109 13.707 -2.505 -0.238 1.00 0.00 O ATOM 1427 CB TYR A 109 10.942 -0.695 0.140 1.00 0.00 C ATOM 1428 CG TYR A 109 10.639 -1.957 0.927 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.603 -2.568 1.717 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.372 -2.523 0.887 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.318 -3.709 2.438 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.077 -3.662 1.606 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.054 -4.253 2.380 1.00 0.00 C ATOM 1434 OH TYR A 109 9.764 -5.389 3.100 1.00 0.00 O ATOM 0 H TYR A 109 10.795 -0.338 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 109 12.956 -0.139 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.091 0.123 0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.066 -0.444 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.594 -2.142 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.604 -2.063 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.082 -4.173 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.086 -4.089 1.563 1.00 0.00 H new ATOM 0 HH TYR A 109 10.317 -5.414 3.909 1.00 0.00 H new ATOM 1444 N ASN A 110 12.054 -3.019 -1.668 1.00 0.00 N ATOM 1445 CA ASN A 110 12.490 -4.400 -1.815 1.00 0.00 C ATOM 1446 C ASN A 110 13.961 -4.459 -2.207 1.00 0.00 C ATOM 1447 O ASN A 110 14.734 -5.242 -1.655 1.00 0.00 O ATOM 1448 CB ASN A 110 11.636 -5.130 -2.853 1.00 0.00 C ATOM 1449 CG ASN A 110 10.347 -5.671 -2.265 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.258 -5.923 -1.063 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.340 -5.852 -3.111 1.00 0.00 N ATOM 0 H ASN A 110 11.226 -2.773 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 110 12.366 -4.898 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.401 -4.448 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.211 -5.952 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.448 -6.213 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.458 -5.630 -4.099 1.00 0.00 H new ATOM 1458 N GLN A 111 14.352 -3.613 -3.149 1.00 0.00 N ATOM 1459 CA GLN A 111 15.741 -3.572 -3.579 1.00 0.00 C ATOM 1460 C GLN A 111 16.623 -3.123 -2.426 1.00 0.00 C ATOM 1461 O GLN A 111 17.540 -3.832 -2.015 1.00 0.00 O ATOM 1462 CB GLN A 111 15.928 -2.632 -4.773 1.00 0.00 C ATOM 1463 CG GLN A 111 15.319 -1.252 -4.593 1.00 0.00 C ATOM 1464 CD GLN A 111 15.061 -0.559 -5.917 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.938 -0.556 -6.421 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.106 0.029 -6.488 1.00 0.00 N ATOM 0 H GLN A 111 13.736 -2.954 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 111 16.028 -4.576 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.995 -2.521 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.489 -3.096 -5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.382 -1.340 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.987 -0.639 -3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.019 0.001 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.996 0.509 -7.381 1.00 0.00 H new ATOM 1475 N ARG A 112 16.321 -1.940 -1.903 1.00 0.00 N ATOM 1476 CA ARG A 112 17.064 -1.368 -0.787 1.00 0.00 C ATOM 1477 C ARG A 112 17.218 -2.378 0.345 1.00 0.00 C ATOM 1478 O ARG A 112 18.280 -2.483 0.957 1.00 0.00 O ATOM 1479 CB ARG A 112 16.347 -0.121 -0.267 1.00 0.00 C ATOM 1480 CG ARG A 112 16.954 1.180 -0.758 1.00 0.00 C ATOM 1481 CD ARG A 112 16.740 2.301 0.246 1.00 0.00 C ATOM 1482 NE ARG A 112 17.811 3.294 0.194 1.00 0.00 N ATOM 1483 CZ ARG A 112 17.697 4.533 0.668 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.565 4.936 1.231 1.00 0.00 N ATOM 1485 NH2 ARG A 112 18.720 5.373 0.577 1.00 0.00 N ATOM 0 H ARG A 112 15.558 -1.353 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 112 18.057 -1.097 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.301 -0.161 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.363 -0.131 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.021 1.043 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.508 1.454 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.785 2.787 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 112 16.683 1.882 1.251 1.00 0.00 H new ATOM 0 HE ARG A 112 18.698 3.022 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 112 15.775 4.295 1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.485 5.887 1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 112 19.592 5.069 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 112 18.634 6.322 0.940 1.00 0.00 H new ATOM 1499 N LYS A 113 16.148 -3.115 0.620 1.00 0.00 N ATOM 1500 CA LYS A 113 16.171 -4.112 1.685 1.00 0.00 C ATOM 1501 C LYS A 113 17.214 -5.188 1.392 1.00 0.00 C ATOM 1502 O LYS A 113 17.773 -5.792 2.307 1.00 0.00 O ATOM 1503 CB LYS A 113 14.774 -4.726 1.883 1.00 0.00 C ATOM 1504 CG LYS A 113 14.446 -5.894 0.960 1.00 0.00 C ATOM 1505 CD LYS A 113 13.805 -7.042 1.724 1.00 0.00 C ATOM 1506 CE LYS A 113 12.329 -6.780 1.986 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.484 -7.947 1.610 1.00 0.00 N ATOM 0 H LYS A 113 15.259 -3.043 0.125 1.00 0.00 H new ATOM 0 HA LYS A 113 16.453 -3.619 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.685 -5.063 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.027 -3.946 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.772 -5.559 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.357 -6.242 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.917 -7.966 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.324 -7.185 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.183 -6.550 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.010 -5.904 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.492 -7.645 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.807 -8.331 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.561 -8.682 2.342 1.00 0.00 H new ATOM 1521 N SER A 114 17.473 -5.417 0.108 1.00 0.00 N ATOM 1522 CA SER A 114 18.453 -6.413 -0.311 1.00 0.00 C ATOM 1523 C SER A 114 19.866 -5.833 -0.287 1.00 0.00 C ATOM 1524 O SER A 114 20.847 -6.570 -0.179 1.00 0.00 O ATOM 1525 CB SER A 114 18.124 -6.920 -1.715 1.00 0.00 C ATOM 1526 OG SER A 114 16.856 -7.552 -1.746 1.00 0.00 O ATOM 0 H SER A 114 17.017 -4.926 -0.661 1.00 0.00 H new ATOM 0 HA SER A 114 18.410 -7.246 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.136 -6.087 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.892 -7.622 -2.040 1.00 0.00 H new ATOM 0 HG SER A 114 16.151 -6.873 -1.702 1.00 0.00 H new