USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 998 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 82 CYS SG : rot -152:sc= 0.117 USER MOD Set 1.2: A 102 GLN : amide:sc= -4.91! K(o=-4.8!,f=-5.9) USER MOD Set 2.1: A 50 GLN : amide:sc= -1.75 X(o=-2.4,f=-2.9!) USER MOD Set 2.2: A 56 THR OG1 : rot -179:sc= -0.691 USER MOD Set 3.1: A 45 HIS : no HD1:sc= -5.33! C(o=-12!,f=-14!) USER MOD Set 3.2: A 124 HIS : no HE2:sc= -6.93! C(o=-12!,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= -0.0898 (180deg=-0.859) USER MOD Single : A 4 SER OG : rot 180:sc= -0.486 USER MOD Single : A 5 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.31) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.963 X(o=-0.96,f=-0.95) USER MOD Single : A 8 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.012) USER MOD Single : A 9 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=-0.45) USER MOD Single : A 10 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 11 THR OG1 : rot 56:sc= 0.556 USER MOD Single : A 14 MET CE :methyl 162:sc= -0.0665 (180deg=-0.473) USER MOD Single : A 15 SER OG : rot -52:sc= 1.2 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.2!) USER MOD Single : A 21 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -68:sc= 1.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00281 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.67! C(o=-1.7!,f=-4.4!) USER MOD Single : A 52 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.81) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.0495 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 61 GLN : amide:sc= -4.98! C(o=-5!,f=-5.2!) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.0216 USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 0.171 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= -0.211 (180deg=-0.851) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 1.11 (180deg=0.767) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= 0.414 (180deg=-1.83!) USER MOD Single : A 83 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.085) USER MOD Single : A 85 THR OG1 : rot -82:sc= 0.46 USER MOD Single : A 89 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-5.7) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 97 GLN : amide:sc= -7.62! C(o=-7.6!,f=-8.8!) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.51) USER MOD Single : A 107 CYS SG : rot -78:sc= 0.667 USER MOD Single : A 108 GLN : amide:sc= -0.582 K(o=-0.58,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -6.96 K(o=-7,f=-5.5!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.391 -5.490 0.162 1.00 0.00 N ATOM 2 CA MET A 1 -38.975 -5.789 -1.233 1.00 0.00 C ATOM 3 C MET A 1 -37.698 -5.041 -1.601 1.00 0.00 C ATOM 4 O MET A 1 -37.249 -4.161 -0.866 1.00 0.00 O ATOM 5 CB MET A 1 -40.112 -5.390 -2.177 1.00 0.00 C ATOM 6 CG MET A 1 -40.470 -3.916 -2.113 1.00 0.00 C ATOM 7 SD MET A 1 -42.123 -3.575 -2.746 1.00 0.00 S ATOM 8 CE MET A 1 -41.870 -1.978 -3.517 1.00 0.00 C ATOM 0 H1 MET A 1 -40.411 -5.288 0.184 1.00 0.00 H new ATOM 0 H2 MET A 1 -39.187 -6.310 0.768 1.00 0.00 H new ATOM 0 H3 MET A 1 -38.867 -4.662 0.511 1.00 0.00 H new ATOM 0 HA MET A 1 -38.767 -6.855 -1.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 -39.829 -5.642 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 -40.996 -5.980 -1.936 1.00 0.00 H new ATOM 0 HG2 MET A 1 -40.403 -3.574 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 -39.740 -3.344 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 -42.806 -1.633 -3.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 -41.535 -1.261 -2.767 1.00 0.00 H new ATOM 0 HE3 MET A 1 -41.115 -2.067 -4.298 1.00 0.00 H new ATOM 20 N ARG A 2 -37.117 -5.398 -2.742 1.00 0.00 N ATOM 21 CA ARG A 2 -35.889 -4.763 -3.208 1.00 0.00 C ATOM 22 C ARG A 2 -34.742 -5.018 -2.237 1.00 0.00 C ATOM 23 O ARG A 2 -34.808 -4.638 -1.068 1.00 0.00 O ATOM 24 CB ARG A 2 -36.101 -3.257 -3.381 1.00 0.00 C ATOM 25 CG ARG A 2 -35.370 -2.674 -4.581 1.00 0.00 C ATOM 26 CD ARG A 2 -34.860 -1.272 -4.296 1.00 0.00 C ATOM 27 NE ARG A 2 -33.728 -0.917 -5.151 1.00 0.00 N ATOM 28 CZ ARG A 2 -32.974 0.165 -4.971 1.00 0.00 C ATOM 29 NH1 ARG A 2 -33.226 1.001 -3.971 1.00 0.00 N ATOM 30 NH2 ARG A 2 -31.963 0.412 -5.794 1.00 0.00 N ATOM 0 H ARG A 2 -37.477 -6.124 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 2 -35.629 -5.199 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -37.168 -3.058 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -35.767 -2.745 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -34.533 -3.320 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -36.040 -2.651 -5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -35.667 -0.555 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -34.561 -1.200 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 2 -33.503 -1.535 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -34.001 0.816 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -32.644 1.828 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -31.764 -0.227 -6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -31.385 1.241 -5.657 1.00 0.00 H new ATOM 44 N GLY A 3 -33.691 -5.664 -2.729 1.00 0.00 N ATOM 45 CA GLY A 3 -32.544 -5.960 -1.892 1.00 0.00 C ATOM 46 C GLY A 3 -31.660 -7.043 -2.481 1.00 0.00 C ATOM 47 O GLY A 3 -30.495 -6.800 -2.793 1.00 0.00 O ATOM 0 H GLY A 3 -33.613 -5.988 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -31.957 -5.053 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -32.888 -6.273 -0.906 1.00 0.00 H new ATOM 51 N SER A 4 -32.217 -8.241 -2.632 1.00 0.00 N ATOM 52 CA SER A 4 -31.471 -9.365 -3.187 1.00 0.00 C ATOM 53 C SER A 4 -32.382 -10.264 -4.016 1.00 0.00 C ATOM 54 O SER A 4 -33.597 -10.068 -4.056 1.00 0.00 O ATOM 55 CB SER A 4 -30.819 -10.176 -2.066 1.00 0.00 C ATOM 56 OG SER A 4 -30.293 -11.396 -2.558 1.00 0.00 O ATOM 0 H SER A 4 -33.181 -8.458 -2.378 1.00 0.00 H new ATOM 0 HA SER A 4 -30.692 -8.966 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 4 -30.022 -9.592 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 4 -31.553 -10.381 -1.287 1.00 0.00 H new ATOM 0 HG SER A 4 -29.880 -11.895 -1.822 1.00 0.00 H new ATOM 62 N HIS A 5 -31.787 -11.252 -4.678 1.00 0.00 N ATOM 63 CA HIS A 5 -32.545 -12.182 -5.507 1.00 0.00 C ATOM 64 C HIS A 5 -33.269 -13.212 -4.646 1.00 0.00 C ATOM 65 O HIS A 5 -34.481 -13.127 -4.447 1.00 0.00 O ATOM 66 CB HIS A 5 -31.616 -12.889 -6.497 1.00 0.00 C ATOM 67 CG HIS A 5 -31.094 -11.989 -7.574 1.00 0.00 C ATOM 68 ND1 HIS A 5 -30.266 -10.915 -7.322 1.00 0.00 N ATOM 69 CD2 HIS A 5 -31.286 -12.007 -8.914 1.00 0.00 C ATOM 70 CE1 HIS A 5 -29.973 -10.312 -8.461 1.00 0.00 C ATOM 71 NE2 HIS A 5 -30.578 -10.955 -9.441 1.00 0.00 N ATOM 0 H HIS A 5 -30.783 -11.429 -4.656 1.00 0.00 H new ATOM 0 HA HIS A 5 -33.290 -11.612 -6.062 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -30.774 -13.316 -5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -32.152 -13.719 -6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -31.885 -12.717 -9.466 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -29.345 -9.440 -8.571 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -30.528 -10.710 -10.430 1.00 0.00 H new ATOM 80 N HIS A 6 -32.519 -14.183 -4.138 1.00 0.00 N ATOM 81 CA HIS A 6 -33.088 -15.229 -3.296 1.00 0.00 C ATOM 82 C HIS A 6 -34.153 -16.018 -4.052 1.00 0.00 C ATOM 83 O HIS A 6 -35.343 -15.714 -3.965 1.00 0.00 O ATOM 84 CB HIS A 6 -33.691 -14.622 -2.029 1.00 0.00 C ATOM 85 CG HIS A 6 -34.197 -15.643 -1.058 1.00 0.00 C ATOM 86 ND1 HIS A 6 -33.364 -16.414 -0.275 1.00 0.00 N ATOM 87 CD2 HIS A 6 -35.460 -16.019 -0.745 1.00 0.00 C ATOM 88 CE1 HIS A 6 -34.092 -17.221 0.477 1.00 0.00 C ATOM 89 NE2 HIS A 6 -35.366 -17.001 0.211 1.00 0.00 N ATOM 0 H HIS A 6 -31.515 -14.268 -4.295 1.00 0.00 H new ATOM 0 HA HIS A 6 -32.285 -15.912 -3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -32.938 -14.007 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -34.511 -13.960 -2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -36.371 -15.621 -1.168 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -33.710 -17.938 1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.154 -17.482 0.645 1.00 0.00 H new ATOM 98 N HIS A 7 -33.717 -17.032 -4.791 1.00 0.00 N ATOM 99 CA HIS A 7 -34.632 -17.866 -5.562 1.00 0.00 C ATOM 100 C HIS A 7 -34.449 -19.339 -5.207 1.00 0.00 C ATOM 101 O HIS A 7 -33.480 -19.972 -5.624 1.00 0.00 O ATOM 102 CB HIS A 7 -34.407 -17.658 -7.060 1.00 0.00 C ATOM 103 CG HIS A 7 -33.018 -17.991 -7.508 1.00 0.00 C ATOM 104 ND1 HIS A 7 -31.940 -17.154 -7.309 1.00 0.00 N ATOM 105 CD2 HIS A 7 -32.532 -19.082 -8.149 1.00 0.00 C ATOM 106 CE1 HIS A 7 -30.853 -17.713 -7.809 1.00 0.00 C ATOM 107 NE2 HIS A 7 -31.185 -18.882 -8.323 1.00 0.00 N ATOM 0 H HIS A 7 -32.735 -17.297 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 7 -35.652 -17.573 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -35.116 -18.273 -7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -34.622 -16.619 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -33.098 -19.946 -8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -29.861 -17.286 -7.799 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -30.544 -19.533 -8.777 1.00 0.00 H new ATOM 116 N HIS A 8 -35.386 -19.875 -4.432 1.00 0.00 N ATOM 117 CA HIS A 8 -35.331 -21.273 -4.017 1.00 0.00 C ATOM 118 C HIS A 8 -34.084 -21.543 -3.177 1.00 0.00 C ATOM 119 O HIS A 8 -34.141 -21.535 -1.947 1.00 0.00 O ATOM 120 CB HIS A 8 -35.355 -22.196 -5.239 1.00 0.00 C ATOM 121 CG HIS A 8 -36.680 -22.231 -5.937 1.00 0.00 C ATOM 122 ND1 HIS A 8 -36.817 -22.084 -7.301 1.00 0.00 N ATOM 123 CD2 HIS A 8 -37.933 -22.401 -5.451 1.00 0.00 C ATOM 124 CE1 HIS A 8 -38.096 -22.160 -7.624 1.00 0.00 C ATOM 125 NE2 HIS A 8 -38.793 -22.353 -6.521 1.00 0.00 N ATOM 0 H HIS A 8 -36.194 -19.362 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 8 -36.209 -21.478 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -34.590 -21.871 -5.945 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -35.091 -23.206 -4.926 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -38.205 -22.547 -4.416 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -38.502 -22.078 -8.622 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -39.807 -22.451 -6.471 1.00 0.00 H new ATOM 134 N HIS A 9 -32.956 -21.781 -3.846 1.00 0.00 N ATOM 135 CA HIS A 9 -31.695 -22.052 -3.160 1.00 0.00 C ATOM 136 C HIS A 9 -31.883 -23.076 -2.042 1.00 0.00 C ATOM 137 O HIS A 9 -31.896 -22.727 -0.862 1.00 0.00 O ATOM 138 CB HIS A 9 -31.113 -20.757 -2.589 1.00 0.00 C ATOM 139 CG HIS A 9 -29.634 -20.816 -2.364 1.00 0.00 C ATOM 140 ND1 HIS A 9 -28.928 -21.999 -2.303 1.00 0.00 N ATOM 141 CD2 HIS A 9 -28.724 -19.828 -2.188 1.00 0.00 C ATOM 142 CE1 HIS A 9 -27.650 -21.738 -2.096 1.00 0.00 C ATOM 143 NE2 HIS A 9 -27.499 -20.427 -2.023 1.00 0.00 N ATOM 0 H HIS A 9 -32.891 -21.791 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 9 -30.999 -22.467 -3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -31.337 -19.936 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -31.608 -20.531 -1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -28.924 -18.767 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -26.862 -22.471 -2.002 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -26.616 -19.939 -1.869 1.00 0.00 H new ATOM 152 N HIS A 10 -32.028 -24.341 -2.424 1.00 0.00 N ATOM 153 CA HIS A 10 -32.215 -25.414 -1.454 1.00 0.00 C ATOM 154 C HIS A 10 -31.231 -26.553 -1.705 1.00 0.00 C ATOM 155 O HIS A 10 -31.625 -27.667 -2.049 1.00 0.00 O ATOM 156 CB HIS A 10 -33.652 -25.937 -1.512 1.00 0.00 C ATOM 157 CG HIS A 10 -34.218 -26.283 -0.170 1.00 0.00 C ATOM 158 ND1 HIS A 10 -34.713 -27.532 0.141 1.00 0.00 N ATOM 159 CD2 HIS A 10 -34.365 -25.534 0.949 1.00 0.00 C ATOM 160 CE1 HIS A 10 -35.141 -27.535 1.391 1.00 0.00 C ATOM 161 NE2 HIS A 10 -34.940 -26.336 1.903 1.00 0.00 N ATOM 0 H HIS A 10 -32.020 -24.648 -3.397 1.00 0.00 H new ATOM 0 HA HIS A 10 -32.025 -25.010 -0.460 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -34.285 -25.184 -1.981 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -33.683 -26.821 -2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -34.082 -24.498 1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -35.581 -28.376 1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -35.174 -26.051 2.854 1.00 0.00 H new ATOM 170 N THR A 11 -29.945 -26.263 -1.532 1.00 0.00 N ATOM 171 CA THR A 11 -28.903 -27.261 -1.740 1.00 0.00 C ATOM 172 C THR A 11 -27.972 -27.335 -0.532 1.00 0.00 C ATOM 173 O THR A 11 -26.801 -26.964 -0.611 1.00 0.00 O ATOM 174 CB THR A 11 -28.099 -26.934 -3.000 1.00 0.00 C ATOM 175 OG1 THR A 11 -27.464 -25.674 -2.878 1.00 0.00 O ATOM 176 CG2 THR A 11 -28.943 -26.902 -4.256 1.00 0.00 C ATOM 0 H THR A 11 -29.600 -25.346 -1.249 1.00 0.00 H new ATOM 0 HA THR A 11 -29.383 -28.231 -1.866 1.00 0.00 H new ATOM 0 HB THR A 11 -27.368 -27.737 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 11 -26.903 -25.667 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 11 -28.312 -26.665 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 11 -29.408 -27.876 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 11 -29.718 -26.142 -4.154 1.00 0.00 H new ATOM 184 N ASP A 12 -28.505 -27.816 0.587 1.00 0.00 N ATOM 185 CA ASP A 12 -27.725 -27.940 1.814 1.00 0.00 C ATOM 186 C ASP A 12 -26.769 -29.127 1.733 1.00 0.00 C ATOM 187 O ASP A 12 -27.035 -30.102 1.031 1.00 0.00 O ATOM 188 CB ASP A 12 -28.654 -28.100 3.018 1.00 0.00 C ATOM 189 CG ASP A 12 -29.222 -26.776 3.492 1.00 0.00 C ATOM 190 OD1 ASP A 12 -28.660 -25.723 3.126 1.00 0.00 O ATOM 191 OD2 ASP A 12 -30.231 -26.793 4.228 1.00 0.00 O ATOM 0 H ASP A 12 -29.473 -28.126 0.670 1.00 0.00 H new ATOM 0 HA ASP A 12 -27.137 -27.030 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -29.473 -28.770 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -28.107 -28.571 3.835 1.00 0.00 H new ATOM 196 N PRO A 13 -25.635 -29.060 2.455 1.00 0.00 N ATOM 197 CA PRO A 13 -24.639 -30.137 2.461 1.00 0.00 C ATOM 198 C PRO A 13 -25.259 -31.497 2.763 1.00 0.00 C ATOM 199 O PRO A 13 -24.845 -32.515 2.208 1.00 0.00 O ATOM 200 CB PRO A 13 -23.679 -29.727 3.579 1.00 0.00 C ATOM 201 CG PRO A 13 -23.807 -28.246 3.664 1.00 0.00 C ATOM 202 CD PRO A 13 -25.238 -27.934 3.321 1.00 0.00 C ATOM 0 HA PRO A 13 -24.158 -30.253 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -23.945 -30.202 4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.655 -30.023 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.559 -27.889 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.124 -27.755 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -25.861 -27.874 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.328 -26.978 2.804 1.00 0.00 H new ATOM 210 N MET A 14 -26.255 -31.506 3.642 1.00 0.00 N ATOM 211 CA MET A 14 -26.932 -32.741 4.016 1.00 0.00 C ATOM 212 C MET A 14 -27.858 -33.212 2.898 1.00 0.00 C ATOM 213 O MET A 14 -28.046 -34.412 2.699 1.00 0.00 O ATOM 214 CB MET A 14 -27.732 -32.540 5.305 1.00 0.00 C ATOM 215 CG MET A 14 -26.940 -31.868 6.414 1.00 0.00 C ATOM 216 SD MET A 14 -27.858 -31.772 7.964 1.00 0.00 S ATOM 217 CE MET A 14 -27.931 -33.502 8.422 1.00 0.00 C ATOM 0 H MET A 14 -26.611 -30.672 4.109 1.00 0.00 H new ATOM 0 HA MET A 14 -26.173 -33.506 4.184 1.00 0.00 H new ATOM 0 HB2 MET A 14 -28.615 -31.939 5.085 1.00 0.00 H new ATOM 0 HB3 MET A 14 -28.086 -33.509 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 14 -26.014 -32.418 6.578 1.00 0.00 H new ATOM 0 HG3 MET A 14 -26.662 -30.863 6.098 1.00 0.00 H new ATOM 0 HE1 MET A 14 -28.172 -33.588 9.482 1.00 0.00 H new ATOM 0 HE2 MET A 14 -28.700 -34.002 7.833 1.00 0.00 H new ATOM 0 HE3 MET A 14 -26.966 -33.970 8.230 1.00 0.00 H new ATOM 227 N SER A 15 -28.432 -32.259 2.171 1.00 0.00 N ATOM 228 CA SER A 15 -29.339 -32.576 1.073 1.00 0.00 C ATOM 229 C SER A 15 -28.637 -33.415 0.011 1.00 0.00 C ATOM 230 O SER A 15 -29.264 -34.236 -0.659 1.00 0.00 O ATOM 231 CB SER A 15 -29.883 -31.290 0.448 1.00 0.00 C ATOM 232 OG SER A 15 -28.955 -30.736 -0.470 1.00 0.00 O ATOM 0 H SER A 15 -28.285 -31.261 2.322 1.00 0.00 H new ATOM 0 HA SER A 15 -30.169 -33.156 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 15 -30.823 -31.499 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 15 -30.101 -30.565 1.232 1.00 0.00 H new ATOM 0 HG SER A 15 -28.082 -30.639 -0.035 1.00 0.00 H new ATOM 238 N ALA A 16 -27.333 -33.204 -0.141 1.00 0.00 N ATOM 239 CA ALA A 16 -26.550 -33.942 -1.123 1.00 0.00 C ATOM 240 C ALA A 16 -25.176 -34.307 -0.570 1.00 0.00 C ATOM 241 O ALA A 16 -24.167 -33.706 -0.938 1.00 0.00 O ATOM 242 CB ALA A 16 -26.407 -33.130 -2.402 1.00 0.00 C ATOM 0 H ALA A 16 -26.798 -32.528 0.404 1.00 0.00 H new ATOM 0 HA ALA A 16 -27.079 -34.868 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -25.820 -33.694 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -27.395 -32.925 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -25.904 -32.189 -2.181 1.00 0.00 H new ATOM 248 N ILE A 17 -25.145 -35.299 0.314 1.00 0.00 N ATOM 249 CA ILE A 17 -23.896 -35.746 0.917 1.00 0.00 C ATOM 250 C ILE A 17 -23.179 -36.743 0.014 1.00 0.00 C ATOM 251 O ILE A 17 -23.404 -37.950 0.105 1.00 0.00 O ATOM 252 CB ILE A 17 -24.135 -36.397 2.293 1.00 0.00 C ATOM 253 CG1 ILE A 17 -25.092 -35.546 3.128 1.00 0.00 C ATOM 254 CG2 ILE A 17 -22.815 -36.591 3.024 1.00 0.00 C ATOM 255 CD1 ILE A 17 -25.482 -36.187 4.442 1.00 0.00 C ATOM 0 H ILE A 17 -25.971 -35.808 0.628 1.00 0.00 H new ATOM 0 HA ILE A 17 -23.273 -34.861 1.047 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.591 -37.375 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -24.627 -34.581 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -25.993 -35.351 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.001 -37.052 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.164 -37.236 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.333 -35.624 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -26.162 -35.527 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -25.977 -37.139 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -24.589 -36.357 5.043 1.00 0.00 H new ATOM 267 N GLN A 18 -22.318 -36.232 -0.860 1.00 0.00 N ATOM 268 CA GLN A 18 -21.571 -37.080 -1.782 1.00 0.00 C ATOM 269 C GLN A 18 -20.329 -36.361 -2.304 1.00 0.00 C ATOM 270 O GLN A 18 -19.882 -36.611 -3.422 1.00 0.00 O ATOM 271 CB GLN A 18 -22.463 -37.502 -2.951 1.00 0.00 C ATOM 272 CG GLN A 18 -22.800 -38.984 -2.956 1.00 0.00 C ATOM 273 CD GLN A 18 -22.790 -39.580 -4.350 1.00 0.00 C ATOM 274 OE1 GLN A 18 -23.471 -39.091 -5.252 1.00 0.00 O ATOM 275 NE2 GLN A 18 -22.014 -40.642 -4.534 1.00 0.00 N ATOM 0 H GLN A 18 -22.120 -35.235 -0.949 1.00 0.00 H new ATOM 0 HA GLN A 18 -21.248 -37.969 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -23.389 -36.928 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.965 -37.248 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -22.083 -39.518 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -23.783 -39.131 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.466 -41.014 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -21.966 -41.085 -5.451 1.00 0.00 H new ATOM 284 N ASN A 19 -19.776 -35.469 -1.488 1.00 0.00 N ATOM 285 CA ASN A 19 -18.586 -34.720 -1.874 1.00 0.00 C ATOM 286 C ASN A 19 -17.320 -35.528 -1.595 1.00 0.00 C ATOM 287 O ASN A 19 -16.828 -36.241 -2.469 1.00 0.00 O ATOM 288 CB ASN A 19 -18.539 -33.378 -1.137 1.00 0.00 C ATOM 289 CG ASN A 19 -19.523 -32.374 -1.702 1.00 0.00 C ATOM 290 OD1 ASN A 19 -19.840 -32.399 -2.891 1.00 0.00 O ATOM 291 ND2 ASN A 19 -20.012 -31.481 -0.851 1.00 0.00 N ATOM 0 H ASN A 19 -20.132 -35.248 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 19 -18.636 -34.528 -2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -18.754 -33.539 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -17.531 -32.968 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -20.678 -30.779 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -19.722 -31.496 0.127 1.00 0.00 H new ATOM 298 N LEU A 20 -16.797 -35.418 -0.373 1.00 0.00 N ATOM 299 CA LEU A 20 -15.589 -36.143 0.014 1.00 0.00 C ATOM 300 C LEU A 20 -15.164 -35.772 1.432 1.00 0.00 C ATOM 301 O LEU A 20 -15.357 -36.543 2.371 1.00 0.00 O ATOM 302 CB LEU A 20 -14.447 -35.850 -0.965 1.00 0.00 C ATOM 303 CG LEU A 20 -13.087 -36.433 -0.572 1.00 0.00 C ATOM 304 CD1 LEU A 20 -13.210 -37.916 -0.259 1.00 0.00 C ATOM 305 CD2 LEU A 20 -12.070 -36.202 -1.679 1.00 0.00 C ATOM 0 H LEU A 20 -17.192 -34.834 0.364 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.815 -37.209 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.722 -36.239 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.346 -34.770 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.740 -35.922 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.233 -38.312 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.906 -38.057 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.579 -38.444 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.109 -36.622 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.412 -36.686 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.959 -35.132 -1.854 1.00 0.00 H new ATOM 317 N HIS A 21 -14.580 -34.586 1.577 1.00 0.00 N ATOM 318 CA HIS A 21 -14.121 -34.114 2.879 1.00 0.00 C ATOM 319 C HIS A 21 -14.772 -32.782 3.239 1.00 0.00 C ATOM 320 O HIS A 21 -15.600 -32.262 2.491 1.00 0.00 O ATOM 321 CB HIS A 21 -12.599 -33.966 2.882 1.00 0.00 C ATOM 322 CG HIS A 21 -12.066 -33.228 1.692 1.00 0.00 C ATOM 323 ND1 HIS A 21 -12.542 -31.997 1.295 1.00 0.00 N ATOM 324 CD2 HIS A 21 -11.090 -33.554 0.812 1.00 0.00 C ATOM 325 CE1 HIS A 21 -11.883 -31.597 0.221 1.00 0.00 C ATOM 326 NE2 HIS A 21 -10.996 -32.524 -0.090 1.00 0.00 N ATOM 0 H HIS A 21 -14.414 -33.935 0.810 1.00 0.00 H new ATOM 0 HA HIS A 21 -14.411 -34.852 3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.295 -33.444 3.789 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.146 -34.957 2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.496 -34.456 0.819 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.043 -30.671 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.345 -32.482 -0.874 1.00 0.00 H new ATOM 335 N SER A 22 -14.391 -32.237 4.389 1.00 0.00 N ATOM 336 CA SER A 22 -14.935 -30.965 4.851 1.00 0.00 C ATOM 337 C SER A 22 -14.644 -29.852 3.849 1.00 0.00 C ATOM 338 O SER A 22 -13.498 -29.431 3.690 1.00 0.00 O ATOM 339 CB SER A 22 -14.350 -30.602 6.216 1.00 0.00 C ATOM 340 OG SER A 22 -15.012 -29.478 6.772 1.00 0.00 O ATOM 0 H SER A 22 -13.707 -32.656 5.019 1.00 0.00 H new ATOM 0 HA SER A 22 -16.016 -31.073 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.441 -31.452 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.286 -30.388 6.114 1.00 0.00 H new ATOM 0 HG SER A 22 -14.621 -29.267 7.645 1.00 0.00 H new ATOM 346 N PHE A 23 -15.689 -29.380 3.177 1.00 0.00 N ATOM 347 CA PHE A 23 -15.546 -28.315 2.191 1.00 0.00 C ATOM 348 C PHE A 23 -14.996 -27.047 2.837 1.00 0.00 C ATOM 349 O PHE A 23 -15.311 -26.739 3.986 1.00 0.00 O ATOM 350 CB PHE A 23 -16.893 -28.021 1.529 1.00 0.00 C ATOM 351 CG PHE A 23 -18.029 -27.909 2.505 1.00 0.00 C ATOM 352 CD1 PHE A 23 -18.157 -26.792 3.315 1.00 0.00 C ATOM 353 CD2 PHE A 23 -18.969 -28.922 2.613 1.00 0.00 C ATOM 354 CE1 PHE A 23 -19.201 -26.688 4.214 1.00 0.00 C ATOM 355 CE2 PHE A 23 -20.015 -28.823 3.509 1.00 0.00 C ATOM 356 CZ PHE A 23 -20.132 -27.703 4.312 1.00 0.00 C ATOM 0 H PHE A 23 -16.644 -29.718 3.297 1.00 0.00 H new ATOM 0 HA PHE A 23 -14.841 -28.649 1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -16.816 -27.092 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -17.117 -28.811 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.433 -25.994 3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -18.882 -29.799 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.289 -25.813 4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -20.741 -29.619 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 23 -20.949 -27.623 5.014 1.00 0.00 H new ATOM 366 N ASP A 24 -14.175 -26.315 2.091 1.00 0.00 N ATOM 367 CA ASP A 24 -13.584 -25.081 2.593 1.00 0.00 C ATOM 368 C ASP A 24 -14.067 -23.877 1.787 1.00 0.00 C ATOM 369 O ASP A 24 -14.309 -23.980 0.584 1.00 0.00 O ATOM 370 CB ASP A 24 -12.056 -25.162 2.539 1.00 0.00 C ATOM 371 CG ASP A 24 -11.510 -26.322 3.347 1.00 0.00 C ATOM 372 OD1 ASP A 24 -11.371 -27.427 2.782 1.00 0.00 O ATOM 373 OD2 ASP A 24 -11.222 -26.127 4.547 1.00 0.00 O ATOM 0 H ASP A 24 -13.904 -26.555 1.137 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.899 -24.954 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.737 -25.263 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.632 -24.230 2.914 1.00 0.00 H new ATOM 378 N PRO A 25 -14.213 -22.710 2.442 1.00 0.00 N ATOM 379 CA PRO A 25 -14.668 -21.484 1.778 1.00 0.00 C ATOM 380 C PRO A 25 -13.821 -21.137 0.557 1.00 0.00 C ATOM 381 O PRO A 25 -14.276 -20.435 -0.345 1.00 0.00 O ATOM 382 CB PRO A 25 -14.510 -20.409 2.857 1.00 0.00 C ATOM 383 CG PRO A 25 -14.559 -21.151 4.148 1.00 0.00 C ATOM 384 CD PRO A 25 -13.945 -22.496 3.877 1.00 0.00 C ATOM 0 HA PRO A 25 -15.686 -21.582 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.568 -19.873 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.307 -19.668 2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.008 -20.620 4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.585 -21.255 4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.876 -22.501 4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.397 -23.275 4.491 1.00 0.00 H new ATOM 392 N PHE A 26 -12.588 -21.632 0.537 1.00 0.00 N ATOM 393 CA PHE A 26 -11.677 -21.373 -0.575 1.00 0.00 C ATOM 394 C PHE A 26 -11.457 -22.635 -1.402 1.00 0.00 C ATOM 395 O PHE A 26 -10.410 -22.804 -2.026 1.00 0.00 O ATOM 396 CB PHE A 26 -10.330 -20.849 -0.061 1.00 0.00 C ATOM 397 CG PHE A 26 -10.412 -20.142 1.263 1.00 0.00 C ATOM 398 CD1 PHE A 26 -10.555 -20.861 2.438 1.00 0.00 C ATOM 399 CD2 PHE A 26 -10.347 -18.760 1.331 1.00 0.00 C ATOM 400 CE1 PHE A 26 -10.631 -20.216 3.657 1.00 0.00 C ATOM 401 CE2 PHE A 26 -10.422 -18.108 2.548 1.00 0.00 C ATOM 402 CZ PHE A 26 -10.564 -18.837 3.713 1.00 0.00 C ATOM 0 H PHE A 26 -12.196 -22.214 1.277 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.134 -20.613 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.637 -21.686 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.912 -20.166 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.608 -21.939 2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.237 -18.185 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -10.743 -20.789 4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.370 -17.030 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.622 -18.330 4.665 1.00 0.00 H new ATOM 412 N ALA A 27 -12.449 -23.519 -1.401 1.00 0.00 N ATOM 413 CA ALA A 27 -12.362 -24.765 -2.151 1.00 0.00 C ATOM 414 C ALA A 27 -12.301 -24.501 -3.652 1.00 0.00 C ATOM 415 O ALA A 27 -13.305 -24.613 -4.354 1.00 0.00 O ATOM 416 CB ALA A 27 -13.544 -25.663 -1.818 1.00 0.00 C ATOM 0 H ALA A 27 -13.322 -23.395 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.441 -25.271 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.467 -26.591 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.541 -25.888 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.472 -25.154 -2.079 1.00 0.00 H new ATOM 422 N ASP A 28 -11.115 -24.148 -4.136 1.00 0.00 N ATOM 423 CA ASP A 28 -10.921 -23.867 -5.554 1.00 0.00 C ATOM 424 C ASP A 28 -10.231 -25.033 -6.254 1.00 0.00 C ATOM 425 O ASP A 28 -10.428 -25.257 -7.449 1.00 0.00 O ATOM 426 CB ASP A 28 -10.095 -22.591 -5.734 1.00 0.00 C ATOM 427 CG ASP A 28 -10.616 -21.719 -6.859 1.00 0.00 C ATOM 428 OD1 ASP A 28 -11.851 -21.621 -7.011 1.00 0.00 O ATOM 429 OD2 ASP A 28 -9.788 -21.132 -7.587 1.00 0.00 O ATOM 0 H ASP A 28 -10.274 -24.050 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.903 -23.726 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.103 -22.022 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.058 -22.858 -5.936 1.00 0.00 H new ATOM 434 N ALA A 29 -9.419 -25.772 -5.505 1.00 0.00 N ATOM 435 CA ALA A 29 -8.697 -26.912 -6.057 1.00 0.00 C ATOM 436 C ALA A 29 -7.729 -26.469 -7.147 1.00 0.00 C ATOM 437 O ALA A 29 -7.966 -25.475 -7.835 1.00 0.00 O ATOM 438 CB ALA A 29 -9.672 -27.945 -6.601 1.00 0.00 C ATOM 0 H ALA A 29 -9.245 -25.602 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.118 -27.367 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.117 -28.790 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.321 -28.292 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.278 -27.495 -7.387 1.00 0.00 H new ATOM 444 N SER A 30 -6.636 -27.209 -7.300 1.00 0.00 N ATOM 445 CA SER A 30 -5.630 -26.888 -8.305 1.00 0.00 C ATOM 446 C SER A 30 -5.060 -25.490 -8.078 1.00 0.00 C ATOM 447 O SER A 30 -5.272 -24.887 -7.025 1.00 0.00 O ATOM 448 CB SER A 30 -6.233 -26.988 -9.709 1.00 0.00 C ATOM 449 OG SER A 30 -6.907 -25.792 -10.064 1.00 0.00 O ATOM 0 H SER A 30 -6.424 -28.035 -6.741 1.00 0.00 H new ATOM 0 HA SER A 30 -4.817 -27.609 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.444 -27.192 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.928 -27.826 -9.750 1.00 0.00 H new ATOM 0 HG SER A 30 -7.704 -25.687 -9.503 1.00 0.00 H new ATOM 455 N LYS A 31 -4.337 -24.979 -9.070 1.00 0.00 N ATOM 456 CA LYS A 31 -3.738 -23.651 -8.975 1.00 0.00 C ATOM 457 C LYS A 31 -2.716 -23.597 -7.845 1.00 0.00 C ATOM 458 O LYS A 31 -3.062 -23.748 -6.673 1.00 0.00 O ATOM 459 CB LYS A 31 -4.822 -22.594 -8.752 1.00 0.00 C ATOM 460 CG LYS A 31 -4.609 -21.324 -9.561 1.00 0.00 C ATOM 461 CD LYS A 31 -5.564 -21.246 -10.743 1.00 0.00 C ATOM 462 CE LYS A 31 -7.016 -21.261 -10.291 1.00 0.00 C ATOM 463 NZ LYS A 31 -7.845 -20.285 -11.050 1.00 0.00 N ATOM 0 H LYS A 31 -4.152 -25.463 -9.948 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.226 -23.441 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.792 -23.020 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.857 -22.339 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.752 -20.455 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.581 -21.289 -9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.368 -20.336 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.383 -22.085 -11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.426 -22.263 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.067 -21.030 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.827 -20.327 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.470 -19.326 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.818 -20.520 -12.063 1.00 0.00 H new ATOM 477 N GLY A 32 -1.455 -23.376 -8.204 1.00 0.00 N ATOM 478 CA GLY A 32 -0.402 -23.305 -7.209 1.00 0.00 C ATOM 479 C GLY A 32 0.744 -24.252 -7.505 1.00 0.00 C ATOM 480 O GLY A 32 1.912 -23.877 -7.403 1.00 0.00 O ATOM 0 H GLY A 32 -1.144 -23.245 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.022 -22.285 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.817 -23.538 -6.229 1.00 0.00 H new ATOM 484 N ASP A 33 0.409 -25.484 -7.873 1.00 0.00 N ATOM 485 CA ASP A 33 1.418 -26.490 -8.184 1.00 0.00 C ATOM 486 C ASP A 33 0.952 -27.389 -9.324 1.00 0.00 C ATOM 487 O ASP A 33 1.266 -28.579 -9.359 1.00 0.00 O ATOM 488 CB ASP A 33 1.727 -27.332 -6.946 1.00 0.00 C ATOM 489 CG ASP A 33 2.174 -26.487 -5.769 1.00 0.00 C ATOM 490 OD1 ASP A 33 3.349 -26.066 -5.753 1.00 0.00 O ATOM 491 OD2 ASP A 33 1.347 -26.246 -4.863 1.00 0.00 O ATOM 0 H ASP A 33 -0.553 -25.810 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 33 2.326 -25.976 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.840 -27.900 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.506 -28.055 -7.187 1.00 0.00 H new ATOM 496 N ASP A 34 0.200 -26.812 -10.255 1.00 0.00 N ATOM 497 CA ASP A 34 -0.312 -27.559 -11.399 1.00 0.00 C ATOM 498 C ASP A 34 -0.127 -26.769 -12.691 1.00 0.00 C ATOM 499 O ASP A 34 0.568 -27.210 -13.606 1.00 0.00 O ATOM 500 CB ASP A 34 -1.790 -27.892 -11.195 1.00 0.00 C ATOM 501 CG ASP A 34 -1.997 -29.278 -10.616 1.00 0.00 C ATOM 502 OD1 ASP A 34 -1.065 -29.795 -9.966 1.00 0.00 O ATOM 503 OD2 ASP A 34 -3.092 -29.846 -10.811 1.00 0.00 O ATOM 0 H ASP A 34 -0.069 -25.828 -10.240 1.00 0.00 H new ATOM 0 HA ASP A 34 0.254 -28.487 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.237 -27.153 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.311 -27.819 -12.150 1.00 0.00 H new ATOM 508 N LEU A 35 -0.756 -25.600 -12.758 1.00 0.00 N ATOM 509 CA LEU A 35 -0.661 -24.747 -13.938 1.00 0.00 C ATOM 510 C LEU A 35 0.061 -23.444 -13.609 1.00 0.00 C ATOM 511 O LEU A 35 -0.471 -22.589 -12.900 1.00 0.00 O ATOM 512 CB LEU A 35 -2.058 -24.449 -14.490 1.00 0.00 C ATOM 513 CG LEU A 35 -2.239 -24.735 -15.982 1.00 0.00 C ATOM 514 CD1 LEU A 35 -1.336 -23.837 -16.812 1.00 0.00 C ATOM 515 CD2 LEU A 35 -1.957 -26.201 -16.278 1.00 0.00 C ATOM 0 H LEU A 35 -1.337 -25.222 -12.010 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.085 -25.277 -14.696 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.786 -25.038 -13.932 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.289 -23.400 -14.306 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.273 -24.521 -16.252 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.479 -24.055 -17.870 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.585 -22.793 -16.620 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.296 -24.018 -16.542 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.090 -26.389 -17.343 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.932 -26.439 -15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.646 -26.826 -15.710 1.00 0.00 H new ATOM 527 N LEU A 36 1.276 -23.298 -14.128 1.00 0.00 N ATOM 528 CA LEU A 36 2.070 -22.098 -13.890 1.00 0.00 C ATOM 529 C LEU A 36 1.399 -20.870 -14.501 1.00 0.00 C ATOM 530 O LEU A 36 0.753 -20.962 -15.546 1.00 0.00 O ATOM 531 CB LEU A 36 3.475 -22.268 -14.471 1.00 0.00 C ATOM 532 CG LEU A 36 4.417 -23.143 -13.645 1.00 0.00 C ATOM 533 CD1 LEU A 36 4.622 -22.549 -12.261 1.00 0.00 C ATOM 534 CD2 LEU A 36 3.876 -24.561 -13.545 1.00 0.00 C ATOM 0 H LEU A 36 1.732 -23.996 -14.716 1.00 0.00 H new ATOM 0 HA LEU A 36 2.145 -21.950 -12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.389 -22.696 -15.470 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.926 -21.282 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 36 5.383 -23.179 -14.148 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.296 -23.186 -11.688 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.055 -21.553 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.662 -22.481 -11.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.559 -25.170 -12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.897 -24.544 -13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.783 -24.986 -14.544 1.00 0.00 H new ATOM 546 N PRO A 37 1.544 -19.699 -13.856 1.00 0.00 N ATOM 547 CA PRO A 37 0.949 -18.452 -14.345 1.00 0.00 C ATOM 548 C PRO A 37 1.675 -17.906 -15.570 1.00 0.00 C ATOM 549 O PRO A 37 2.818 -17.461 -15.479 1.00 0.00 O ATOM 550 CB PRO A 37 1.111 -17.500 -13.160 1.00 0.00 C ATOM 551 CG PRO A 37 2.310 -18.004 -12.435 1.00 0.00 C ATOM 552 CD PRO A 37 2.300 -19.499 -12.604 1.00 0.00 C ATOM 0 HA PRO A 37 -0.084 -18.588 -14.665 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.253 -16.472 -13.494 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.228 -17.509 -12.521 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.223 -17.571 -12.844 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.272 -17.730 -11.381 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.310 -19.902 -12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.819 -19.995 -11.761 1.00 0.00 H new ATOM 560 N ALA A 38 1.002 -17.945 -16.715 1.00 0.00 N ATOM 561 CA ALA A 38 1.585 -17.454 -17.958 1.00 0.00 C ATOM 562 C ALA A 38 0.590 -16.592 -18.728 1.00 0.00 C ATOM 563 O ALA A 38 -0.478 -17.060 -19.122 1.00 0.00 O ATOM 564 CB ALA A 38 2.053 -18.620 -18.817 1.00 0.00 C ATOM 0 H ALA A 38 0.054 -18.311 -16.808 1.00 0.00 H new ATOM 0 HA ALA A 38 2.445 -16.833 -17.708 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.486 -18.240 -19.742 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.804 -19.194 -18.274 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.205 -19.263 -19.051 1.00 0.00 H new ATOM 570 N GLY A 39 0.949 -15.330 -18.941 1.00 0.00 N ATOM 571 CA GLY A 39 0.078 -14.422 -19.663 1.00 0.00 C ATOM 572 C GLY A 39 -0.041 -13.070 -18.989 1.00 0.00 C ATOM 573 O GLY A 39 0.028 -12.032 -19.646 1.00 0.00 O ATOM 0 H GLY A 39 1.828 -14.920 -18.626 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.459 -14.287 -20.675 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.913 -14.868 -19.752 1.00 0.00 H new ATOM 577 N THR A 40 -0.223 -13.082 -17.672 1.00 0.00 N ATOM 578 CA THR A 40 -0.355 -11.846 -16.906 1.00 0.00 C ATOM 579 C THR A 40 0.872 -11.604 -16.028 1.00 0.00 C ATOM 580 O THR A 40 1.069 -10.502 -15.518 1.00 0.00 O ATOM 581 CB THR A 40 -1.616 -11.889 -16.038 1.00 0.00 C ATOM 582 OG1 THR A 40 -2.201 -13.180 -16.059 1.00 0.00 O ATOM 583 CG2 THR A 40 -2.675 -10.899 -16.474 1.00 0.00 C ATOM 0 H THR A 40 -0.282 -13.933 -17.113 1.00 0.00 H new ATOM 0 HA THR A 40 -0.435 -11.022 -17.615 1.00 0.00 H new ATOM 0 HB THR A 40 -1.283 -11.625 -15.034 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.004 -13.185 -15.497 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.542 -10.981 -15.818 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.272 -9.888 -16.419 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.975 -11.115 -17.500 1.00 0.00 H new ATOM 591 N GLU A 41 1.691 -12.637 -15.849 1.00 0.00 N ATOM 592 CA GLU A 41 2.892 -12.528 -15.027 1.00 0.00 C ATOM 593 C GLU A 41 2.547 -12.153 -13.588 1.00 0.00 C ATOM 594 O GLU A 41 3.409 -11.705 -12.831 1.00 0.00 O ATOM 595 CB GLU A 41 3.852 -11.501 -15.625 1.00 0.00 C ATOM 596 CG GLU A 41 5.098 -12.119 -16.239 1.00 0.00 C ATOM 597 CD GLU A 41 6.121 -12.526 -15.197 1.00 0.00 C ATOM 598 OE1 GLU A 41 6.677 -11.628 -14.529 1.00 0.00 O ATOM 599 OE2 GLU A 41 6.367 -13.741 -15.049 1.00 0.00 O ATOM 0 H GLU A 41 1.545 -13.558 -16.262 1.00 0.00 H new ATOM 0 HA GLU A 41 3.378 -13.503 -15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.327 -10.927 -16.389 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.151 -10.799 -14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.814 -12.993 -16.825 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.551 -11.406 -16.928 1.00 0.00 H new ATOM 606 N ASP A 42 1.284 -12.342 -13.213 1.00 0.00 N ATOM 607 CA ASP A 42 0.827 -12.030 -11.862 1.00 0.00 C ATOM 608 C ASP A 42 1.270 -10.632 -11.441 1.00 0.00 C ATOM 609 O ASP A 42 2.045 -10.471 -10.497 1.00 0.00 O ATOM 610 CB ASP A 42 1.359 -13.068 -10.872 1.00 0.00 C ATOM 611 CG ASP A 42 0.649 -13.009 -9.534 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.527 -12.592 -9.505 1.00 0.00 O ATOM 613 OD2 ASP A 42 1.270 -13.380 -8.516 1.00 0.00 O ATOM 0 H ASP A 42 0.558 -12.710 -13.827 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.263 -12.058 -11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.243 -14.065 -11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.427 -12.908 -10.721 1.00 0.00 H new ATOM 618 N TYR A 43 0.774 -9.624 -12.147 1.00 0.00 N ATOM 619 CA TYR A 43 1.118 -8.241 -11.847 1.00 0.00 C ATOM 620 C TYR A 43 0.504 -7.800 -10.523 1.00 0.00 C ATOM 621 O TYR A 43 -0.294 -8.523 -9.927 1.00 0.00 O ATOM 622 CB TYR A 43 0.642 -7.316 -12.970 1.00 0.00 C ATOM 623 CG TYR A 43 1.216 -7.646 -14.333 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.441 -8.294 -14.463 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.531 -7.301 -15.491 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.963 -8.585 -15.709 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.047 -7.593 -16.739 1.00 0.00 C ATOM 628 CZ TYR A 43 2.263 -8.234 -16.843 1.00 0.00 C ATOM 629 OH TYR A 43 2.781 -8.525 -18.084 1.00 0.00 O ATOM 0 H TYR A 43 0.132 -9.739 -12.931 1.00 0.00 H new ATOM 0 HA TYR A 43 2.203 -8.177 -11.766 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.446 -7.361 -13.026 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.906 -6.289 -12.716 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.992 -8.573 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.421 -6.796 -15.415 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.916 -9.086 -15.794 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.500 -7.320 -17.629 1.00 0.00 H new ATOM 0 HH TYR A 43 2.164 -8.212 -18.778 1.00 0.00 H new ATOM 639 N ILE A 44 0.876 -6.606 -10.072 1.00 0.00 N ATOM 640 CA ILE A 44 0.353 -6.067 -8.822 1.00 0.00 C ATOM 641 C ILE A 44 -0.465 -4.806 -9.084 1.00 0.00 C ATOM 642 O ILE A 44 0.081 -3.711 -9.214 1.00 0.00 O ATOM 643 CB ILE A 44 1.482 -5.757 -7.816 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.294 -7.018 -7.507 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.908 -5.171 -6.534 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.446 -8.250 -7.267 1.00 0.00 C ATOM 0 H ILE A 44 1.536 -5.995 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.290 -6.830 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 44 2.148 -5.021 -8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.974 -7.213 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.910 -6.835 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.718 -4.959 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.375 -4.248 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.219 -5.886 -6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.093 -9.101 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.784 -8.077 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.850 -8.460 -8.155 1.00 0.00 H new ATOM 658 N HIS A 45 -1.777 -4.981 -9.174 1.00 0.00 N ATOM 659 CA HIS A 45 -2.693 -3.877 -9.438 1.00 0.00 C ATOM 660 C HIS A 45 -2.736 -2.884 -8.283 1.00 0.00 C ATOM 661 O HIS A 45 -3.048 -3.244 -7.150 1.00 0.00 O ATOM 662 CB HIS A 45 -4.099 -4.426 -9.696 1.00 0.00 C ATOM 663 CG HIS A 45 -4.622 -4.141 -11.068 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.350 -4.940 -12.158 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.423 -3.148 -11.522 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.959 -4.452 -13.223 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.617 -3.365 -12.863 1.00 0.00 N ATOM 0 H HIS A 45 -2.235 -5.886 -9.067 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.329 -3.347 -10.318 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.091 -5.504 -9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.784 -4.001 -8.962 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.832 -2.337 -10.938 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.925 -4.870 -14.218 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.179 -2.781 -13.482 1.00 0.00 H new ATOM 676 N ILE A 46 -2.439 -1.628 -8.586 1.00 0.00 N ATOM 677 CA ILE A 46 -2.467 -0.570 -7.577 1.00 0.00 C ATOM 678 C ILE A 46 -3.899 -0.033 -7.416 1.00 0.00 C ATOM 679 O ILE A 46 -4.703 -0.635 -6.706 1.00 0.00 O ATOM 680 CB ILE A 46 -1.491 0.571 -7.933 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.058 0.036 -7.971 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.612 1.718 -6.937 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.485 -0.357 -6.611 1.00 0.00 C ATOM 0 H ILE A 46 -2.176 -1.314 -9.520 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.142 -0.995 -6.627 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.749 0.957 -8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.021 -0.831 -8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.592 0.795 -8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.915 2.511 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.629 2.109 -6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.379 1.356 -5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.505 -0.726 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.482 0.512 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.141 -1.139 -6.182 1.00 0.00 H new ATOM 695 N ARG A 47 -4.224 1.082 -8.092 1.00 0.00 N ATOM 696 CA ARG A 47 -5.567 1.668 -8.036 1.00 0.00 C ATOM 697 C ARG A 47 -5.713 2.681 -6.906 1.00 0.00 C ATOM 698 O ARG A 47 -5.465 2.378 -5.739 1.00 0.00 O ATOM 699 CB ARG A 47 -6.640 0.582 -7.901 1.00 0.00 C ATOM 700 CG ARG A 47 -7.947 0.927 -8.596 1.00 0.00 C ATOM 701 CD ARG A 47 -8.715 2.003 -7.843 1.00 0.00 C ATOM 702 NE ARG A 47 -10.077 1.581 -7.523 1.00 0.00 N ATOM 703 CZ ARG A 47 -11.008 1.318 -8.438 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.729 1.433 -9.731 1.00 0.00 N ATOM 705 NH2 ARG A 47 -12.221 0.942 -8.059 1.00 0.00 N ATOM 0 H ARG A 47 -3.570 1.594 -8.684 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.710 2.197 -8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.255 -0.351 -8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.836 0.406 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.741 1.269 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.562 0.031 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.186 2.249 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.749 2.912 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.330 1.482 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.798 1.724 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.446 1.230 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.441 0.854 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.935 0.740 -8.759 1.00 0.00 H new ATOM 719 N ILE A 48 -6.146 3.881 -7.277 1.00 0.00 N ATOM 720 CA ILE A 48 -6.370 4.963 -6.325 1.00 0.00 C ATOM 721 C ILE A 48 -7.869 5.227 -6.184 1.00 0.00 C ATOM 722 O ILE A 48 -8.642 4.943 -7.099 1.00 0.00 O ATOM 723 CB ILE A 48 -5.658 6.268 -6.773 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.199 6.274 -6.311 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.384 7.502 -6.246 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.468 7.556 -6.650 1.00 0.00 C ATOM 0 H ILE A 48 -6.351 4.131 -8.244 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.954 4.656 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.680 6.300 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.166 6.120 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.677 5.434 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.862 8.400 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.405 7.515 -6.628 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.405 7.474 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.440 7.493 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.470 7.701 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.967 8.397 -6.170 1.00 0.00 H new ATOM 738 N GLN A 49 -8.276 5.777 -5.045 1.00 0.00 N ATOM 739 CA GLN A 49 -9.683 6.079 -4.815 1.00 0.00 C ATOM 740 C GLN A 49 -9.854 7.438 -4.140 1.00 0.00 C ATOM 741 O GLN A 49 -9.795 7.550 -2.915 1.00 0.00 O ATOM 742 CB GLN A 49 -10.344 4.979 -3.980 1.00 0.00 C ATOM 743 CG GLN A 49 -9.715 4.773 -2.612 1.00 0.00 C ATOM 744 CD GLN A 49 -10.752 4.648 -1.510 1.00 0.00 C ATOM 745 OE1 GLN A 49 -10.826 5.485 -0.612 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.563 3.599 -1.581 1.00 0.00 N ATOM 0 H GLN A 49 -7.656 6.021 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.177 6.121 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.399 5.221 -3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.298 4.041 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.098 3.874 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.052 5.610 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.465 2.930 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.284 3.463 -0.872 1.00 0.00 H new ATOM 755 N GLN A 50 -10.068 8.469 -4.952 1.00 0.00 N ATOM 756 CA GLN A 50 -10.252 9.823 -4.441 1.00 0.00 C ATOM 757 C GLN A 50 -11.729 10.208 -4.460 1.00 0.00 C ATOM 758 O GLN A 50 -12.389 10.120 -5.495 1.00 0.00 O ATOM 759 CB GLN A 50 -9.433 10.821 -5.267 1.00 0.00 C ATOM 760 CG GLN A 50 -8.607 11.775 -4.419 1.00 0.00 C ATOM 761 CD GLN A 50 -7.568 12.530 -5.222 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.502 12.413 -6.445 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.744 13.312 -4.533 1.00 0.00 N ATOM 0 H GLN A 50 -10.118 8.392 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.901 9.851 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.768 10.271 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.108 11.399 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.272 12.489 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.110 11.213 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.834 13.380 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.022 13.845 -5.018 1.00 0.00 H new ATOM 772 N ARG A 51 -12.244 10.626 -3.307 1.00 0.00 N ATOM 773 CA ARG A 51 -13.646 11.014 -3.191 1.00 0.00 C ATOM 774 C ARG A 51 -13.832 12.504 -3.463 1.00 0.00 C ATOM 775 O ARG A 51 -13.159 13.345 -2.865 1.00 0.00 O ATOM 776 CB ARG A 51 -14.175 10.665 -1.799 1.00 0.00 C ATOM 777 CG ARG A 51 -14.960 9.364 -1.753 1.00 0.00 C ATOM 778 CD ARG A 51 -14.052 8.157 -1.931 1.00 0.00 C ATOM 779 NE ARG A 51 -14.747 7.039 -2.565 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.701 6.327 -1.970 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.076 6.611 -0.729 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.282 5.328 -2.619 1.00 0.00 N ATOM 0 H ARG A 51 -11.712 10.705 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.212 10.460 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.335 10.597 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.813 11.477 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.485 9.288 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.719 9.368 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.190 8.438 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.671 7.843 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.486 6.790 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.632 7.379 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.808 6.061 -0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.998 5.106 -3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.013 4.781 -2.164 1.00 0.00 H new ATOM 796 N ASN A 52 -14.757 12.823 -4.365 1.00 0.00 N ATOM 797 CA ASN A 52 -15.047 14.211 -4.718 1.00 0.00 C ATOM 798 C ASN A 52 -13.772 14.968 -5.081 1.00 0.00 C ATOM 799 O ASN A 52 -13.683 16.181 -4.887 1.00 0.00 O ATOM 800 CB ASN A 52 -15.757 14.915 -3.560 1.00 0.00 C ATOM 801 CG ASN A 52 -16.278 16.285 -3.949 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.269 16.404 -4.668 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.609 17.329 -3.474 1.00 0.00 N ATOM 0 H ASN A 52 -15.321 12.137 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.700 14.204 -5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.587 14.297 -3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.067 15.016 -2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.912 18.276 -3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.792 17.184 -2.881 1.00 0.00 H new ATOM 810 N GLY A 53 -12.788 14.246 -5.604 1.00 0.00 N ATOM 811 CA GLY A 53 -11.533 14.868 -5.979 1.00 0.00 C ATOM 812 C GLY A 53 -10.625 15.101 -4.787 1.00 0.00 C ATOM 813 O GLY A 53 -9.680 15.886 -4.862 1.00 0.00 O ATOM 0 H GLY A 53 -12.837 13.242 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.020 14.237 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.735 15.820 -6.470 1.00 0.00 H new ATOM 817 N ARG A 54 -10.914 14.418 -3.683 1.00 0.00 N ATOM 818 CA ARG A 54 -10.118 14.554 -2.471 1.00 0.00 C ATOM 819 C ARG A 54 -10.042 13.229 -1.723 1.00 0.00 C ATOM 820 O ARG A 54 -10.541 12.210 -2.201 1.00 0.00 O ATOM 821 CB ARG A 54 -10.709 15.640 -1.570 1.00 0.00 C ATOM 822 CG ARG A 54 -12.080 15.292 -1.012 1.00 0.00 C ATOM 823 CD ARG A 54 -12.348 16.014 0.299 1.00 0.00 C ATOM 824 NE ARG A 54 -13.494 15.453 1.008 1.00 0.00 N ATOM 825 CZ ARG A 54 -13.931 15.902 2.183 1.00 0.00 C ATOM 826 NH1 ARG A 54 -13.322 16.917 2.782 1.00 0.00 N ATOM 827 NH2 ARG A 54 -14.982 15.334 2.760 1.00 0.00 N ATOM 0 H ARG A 54 -11.694 13.765 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.106 14.844 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.025 15.824 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.782 16.569 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.848 15.558 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.148 14.215 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.464 15.953 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.526 17.071 0.101 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.989 14.671 0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.514 17.358 2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.662 17.256 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.455 14.554 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.317 15.677 3.660 1.00 0.00 H new ATOM 841 N LYS A 55 -9.410 13.247 -0.550 1.00 0.00 N ATOM 842 CA LYS A 55 -9.260 12.037 0.264 1.00 0.00 C ATOM 843 C LYS A 55 -8.936 10.826 -0.614 1.00 0.00 C ATOM 844 O LYS A 55 -9.812 10.015 -0.913 1.00 0.00 O ATOM 845 CB LYS A 55 -10.535 11.773 1.067 1.00 0.00 C ATOM 846 CG LYS A 55 -10.911 12.909 2.004 1.00 0.00 C ATOM 847 CD LYS A 55 -9.783 13.230 2.971 1.00 0.00 C ATOM 848 CE LYS A 55 -9.459 12.044 3.864 1.00 0.00 C ATOM 849 NZ LYS A 55 -8.914 12.470 5.182 1.00 0.00 N ATOM 0 H LYS A 55 -8.994 14.084 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.432 12.195 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.359 11.595 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.405 10.861 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.156 13.797 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.806 12.639 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.894 13.518 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.063 14.085 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.360 11.450 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.735 11.400 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.707 11.630 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.040 13.015 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.614 13.063 5.672 1.00 0.00 H new ATOM 863 N THR A 56 -7.679 10.719 -1.033 1.00 0.00 N ATOM 864 CA THR A 56 -7.246 9.623 -1.886 1.00 0.00 C ATOM 865 C THR A 56 -6.837 8.411 -1.058 1.00 0.00 C ATOM 866 O THR A 56 -6.400 8.547 0.086 1.00 0.00 O ATOM 867 CB THR A 56 -6.081 10.080 -2.765 1.00 0.00 C ATOM 868 OG1 THR A 56 -5.935 11.488 -2.716 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.232 9.688 -4.218 1.00 0.00 C ATOM 0 H THR A 56 -6.942 11.382 -0.793 1.00 0.00 H new ATOM 0 HA THR A 56 -8.083 9.330 -2.520 1.00 0.00 H new ATOM 0 HB THR A 56 -5.204 9.576 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.194 11.760 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.370 10.044 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.294 8.603 -4.297 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.140 10.134 -4.623 1.00 0.00 H new ATOM 877 N LEU A 57 -6.982 7.226 -1.641 1.00 0.00 N ATOM 878 CA LEU A 57 -6.628 5.990 -0.956 1.00 0.00 C ATOM 879 C LEU A 57 -6.084 4.955 -1.939 1.00 0.00 C ATOM 880 O LEU A 57 -6.836 4.142 -2.477 1.00 0.00 O ATOM 881 CB LEU A 57 -7.847 5.427 -0.225 1.00 0.00 C ATOM 882 CG LEU A 57 -7.771 5.481 1.302 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.992 6.902 1.793 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.787 4.531 1.920 1.00 0.00 C ATOM 0 H LEU A 57 -7.342 7.096 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.847 6.215 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.731 5.976 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.987 4.390 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.776 5.163 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.935 6.924 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.225 7.554 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.975 7.248 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.719 4.582 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.791 4.817 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.580 3.513 1.591 1.00 0.00 H new ATOM 896 N THR A 58 -4.776 4.991 -2.168 1.00 0.00 N ATOM 897 CA THR A 58 -4.132 4.055 -3.085 1.00 0.00 C ATOM 898 C THR A 58 -4.195 2.633 -2.540 1.00 0.00 C ATOM 899 O THR A 58 -3.735 2.365 -1.433 1.00 0.00 O ATOM 900 CB THR A 58 -2.676 4.461 -3.313 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.514 5.860 -3.148 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.162 4.098 -4.688 1.00 0.00 C ATOM 0 H THR A 58 -4.140 5.658 -1.732 1.00 0.00 H new ATOM 0 HA THR A 58 -4.666 4.085 -4.035 1.00 0.00 H new ATOM 0 HB THR A 58 -2.102 3.907 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.528 6.081 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.123 4.414 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.227 3.019 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.765 4.599 -5.446 1.00 0.00 H new ATOM 910 N THR A 59 -4.765 1.720 -3.320 1.00 0.00 N ATOM 911 CA THR A 59 -4.877 0.329 -2.896 1.00 0.00 C ATOM 912 C THR A 59 -3.863 -0.551 -3.617 1.00 0.00 C ATOM 913 O THR A 59 -3.359 -0.196 -4.682 1.00 0.00 O ATOM 914 CB THR A 59 -6.292 -0.200 -3.141 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.957 0.577 -4.121 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.151 -0.204 -1.896 1.00 0.00 C ATOM 0 H THR A 59 -5.154 1.916 -4.242 1.00 0.00 H new ATOM 0 HA THR A 59 -4.666 0.294 -1.827 1.00 0.00 H new ATOM 0 HB THR A 59 -6.162 -1.229 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.859 0.221 -4.264 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.141 -0.590 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.690 -0.837 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.242 0.813 -1.513 1.00 0.00 H new ATOM 924 N VAL A 60 -3.571 -1.706 -3.027 1.00 0.00 N ATOM 925 CA VAL A 60 -2.621 -2.646 -3.609 1.00 0.00 C ATOM 926 C VAL A 60 -3.237 -4.035 -3.740 1.00 0.00 C ATOM 927 O VAL A 60 -3.535 -4.690 -2.739 1.00 0.00 O ATOM 928 CB VAL A 60 -1.333 -2.740 -2.768 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.352 -3.731 -3.381 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.696 -1.368 -2.630 1.00 0.00 C ATOM 0 H VAL A 60 -3.980 -2.013 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.367 -2.269 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.597 -3.103 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.548 -3.778 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.812 -4.718 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.089 -3.407 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.213 -1.447 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.449 -0.980 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.394 -0.690 -2.139 1.00 0.00 H new ATOM 940 N GLN A 61 -3.420 -4.477 -4.980 1.00 0.00 N ATOM 941 CA GLN A 61 -3.992 -5.792 -5.250 1.00 0.00 C ATOM 942 C GLN A 61 -2.990 -6.662 -5.999 1.00 0.00 C ATOM 943 O GLN A 61 -2.265 -6.182 -6.871 1.00 0.00 O ATOM 944 CB GLN A 61 -5.295 -5.675 -6.057 1.00 0.00 C ATOM 945 CG GLN A 61 -5.751 -4.243 -6.309 1.00 0.00 C ATOM 946 CD GLN A 61 -7.187 -4.154 -6.798 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.878 -3.170 -6.539 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.642 -5.178 -7.515 1.00 0.00 N ATOM 0 H GLN A 61 -3.180 -3.943 -5.815 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.224 -6.260 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.161 -6.175 -7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.085 -6.208 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.650 -3.668 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.093 -3.782 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.036 -5.975 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.597 -5.166 -7.873 1.00 0.00 H new ATOM 957 N GLY A 62 -2.944 -7.940 -5.646 1.00 0.00 N ATOM 958 CA GLY A 62 -2.018 -8.856 -6.284 1.00 0.00 C ATOM 959 C GLY A 62 -0.964 -9.356 -5.319 1.00 0.00 C ATOM 960 O GLY A 62 -0.432 -10.455 -5.477 1.00 0.00 O ATOM 0 H GLY A 62 -3.533 -8.360 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.569 -9.704 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.534 -8.357 -7.124 1.00 0.00 H new ATOM 964 N ILE A 63 -0.666 -8.540 -4.314 1.00 0.00 N ATOM 965 CA ILE A 63 0.326 -8.886 -3.307 1.00 0.00 C ATOM 966 C ILE A 63 -0.119 -10.099 -2.494 1.00 0.00 C ATOM 967 O ILE A 63 -1.311 -10.309 -2.270 1.00 0.00 O ATOM 968 CB ILE A 63 0.594 -7.685 -2.367 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.382 -6.584 -3.096 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.330 -8.120 -1.107 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.376 -7.098 -4.116 1.00 0.00 C ATOM 0 H ILE A 63 -1.102 -7.628 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 63 1.251 -9.139 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.373 -7.279 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.677 -5.920 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.915 -5.985 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.503 -7.253 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.729 -8.853 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.287 -8.566 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.887 -6.256 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.107 -7.738 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.850 -7.671 -4.880 1.00 0.00 H new ATOM 983 N ALA A 64 0.852 -10.895 -2.060 1.00 0.00 N ATOM 984 CA ALA A 64 0.571 -12.089 -1.275 1.00 0.00 C ATOM 985 C ALA A 64 0.218 -11.736 0.165 1.00 0.00 C ATOM 986 O ALA A 64 0.761 -10.789 0.735 1.00 0.00 O ATOM 987 CB ALA A 64 1.761 -13.035 -1.309 1.00 0.00 C ATOM 0 H ALA A 64 1.843 -10.733 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.291 -12.587 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.537 -13.923 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.965 -13.327 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.636 -12.534 -0.894 1.00 0.00 H new ATOM 993 N ASP A 65 -0.693 -12.508 0.750 1.00 0.00 N ATOM 994 CA ASP A 65 -1.116 -12.281 2.127 1.00 0.00 C ATOM 995 C ASP A 65 -0.027 -12.693 3.116 1.00 0.00 C ATOM 996 O ASP A 65 -0.131 -12.424 4.312 1.00 0.00 O ATOM 997 CB ASP A 65 -2.403 -13.056 2.419 1.00 0.00 C ATOM 998 CG ASP A 65 -3.203 -12.444 3.550 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.474 -11.226 3.496 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.561 -13.183 4.493 1.00 0.00 O ATOM 0 H ASP A 65 -1.152 -13.295 0.292 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.302 -11.214 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.017 -13.087 1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.154 -14.087 2.671 1.00 0.00 H new ATOM 1005 N ASP A 66 1.019 -13.347 2.613 1.00 0.00 N ATOM 1006 CA ASP A 66 2.120 -13.792 3.459 1.00 0.00 C ATOM 1007 C ASP A 66 3.252 -12.768 3.480 1.00 0.00 C ATOM 1008 O ASP A 66 4.400 -13.108 3.765 1.00 0.00 O ATOM 1009 CB ASP A 66 2.648 -15.142 2.971 1.00 0.00 C ATOM 1010 CG ASP A 66 1.542 -16.157 2.768 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.711 -16.322 3.686 1.00 0.00 O ATOM 1012 OD2 ASP A 66 1.504 -16.787 1.690 1.00 0.00 O ATOM 0 H ASP A 66 1.125 -13.579 1.625 1.00 0.00 H new ATOM 0 HA ASP A 66 1.740 -13.899 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.185 -15.001 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.366 -15.531 3.693 1.00 0.00 H new ATOM 1017 N TYR A 67 2.925 -11.512 3.179 1.00 0.00 N ATOM 1018 CA TYR A 67 3.920 -10.447 3.169 1.00 0.00 C ATOM 1019 C TYR A 67 4.037 -9.779 4.535 1.00 0.00 C ATOM 1020 O TYR A 67 4.535 -8.659 4.645 1.00 0.00 O ATOM 1021 CB TYR A 67 3.548 -9.394 2.126 1.00 0.00 C ATOM 1022 CG TYR A 67 3.911 -9.761 0.705 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.138 -11.079 0.326 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.020 -8.775 -0.259 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.464 -11.398 -0.979 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.343 -9.081 -1.564 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.566 -10.394 -1.921 1.00 0.00 C ATOM 1028 OH TYR A 67 4.890 -10.705 -3.221 1.00 0.00 O ATOM 0 H TYR A 67 1.981 -11.210 2.940 1.00 0.00 H new ATOM 0 HA TYR A 67 4.882 -10.896 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.474 -9.213 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.042 -8.457 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.059 -11.865 1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.849 -7.745 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.638 -12.426 -1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.421 -8.297 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 67 5.526 -10.044 -3.567 1.00 0.00 H new ATOM 1038 N ASP A 68 3.571 -10.463 5.574 1.00 0.00 N ATOM 1039 CA ASP A 68 3.621 -9.921 6.927 1.00 0.00 C ATOM 1040 C ASP A 68 3.065 -8.498 6.962 1.00 0.00 C ATOM 1041 O ASP A 68 3.815 -7.529 6.845 1.00 0.00 O ATOM 1042 CB ASP A 68 5.060 -9.935 7.452 1.00 0.00 C ATOM 1043 CG ASP A 68 5.191 -10.699 8.756 1.00 0.00 C ATOM 1044 OD1 ASP A 68 5.179 -11.947 8.717 1.00 0.00 O ATOM 1045 OD2 ASP A 68 5.307 -10.048 9.815 1.00 0.00 O ATOM 0 H ASP A 68 3.155 -11.392 5.506 1.00 0.00 H new ATOM 0 HA ASP A 68 3.003 -10.549 7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.713 -10.384 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.401 -8.910 7.598 1.00 0.00 H new ATOM 1050 N LYS A 69 1.745 -8.386 7.115 1.00 0.00 N ATOM 1051 CA LYS A 69 1.071 -7.087 7.159 1.00 0.00 C ATOM 1052 C LYS A 69 1.914 -6.043 7.886 1.00 0.00 C ATOM 1053 O LYS A 69 1.971 -4.883 7.478 1.00 0.00 O ATOM 1054 CB LYS A 69 -0.291 -7.221 7.844 1.00 0.00 C ATOM 1055 CG LYS A 69 -1.395 -7.697 6.915 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.275 -9.183 6.621 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.621 -9.791 6.262 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.721 -11.212 6.692 1.00 0.00 N ATOM 0 H LYS A 69 1.118 -9.185 7.211 1.00 0.00 H new ATOM 0 HA LYS A 69 0.930 -6.753 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.202 -7.919 8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.573 -6.256 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.365 -7.492 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.353 -7.136 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.575 -9.337 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.864 -9.695 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.417 -9.213 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.773 -9.726 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.351 -11.727 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.777 -11.647 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.105 -11.256 7.658 1.00 0.00 H new ATOM 1072 N LYS A 70 2.578 -6.466 8.957 1.00 0.00 N ATOM 1073 CA LYS A 70 3.429 -5.566 9.725 1.00 0.00 C ATOM 1074 C LYS A 70 4.555 -5.034 8.847 1.00 0.00 C ATOM 1075 O LYS A 70 4.614 -3.840 8.550 1.00 0.00 O ATOM 1076 CB LYS A 70 4.009 -6.287 10.942 1.00 0.00 C ATOM 1077 CG LYS A 70 2.982 -7.096 11.718 1.00 0.00 C ATOM 1078 CD LYS A 70 3.113 -6.876 13.218 1.00 0.00 C ATOM 1079 CE LYS A 70 2.265 -7.864 14.003 1.00 0.00 C ATOM 1080 NZ LYS A 70 2.902 -8.238 15.297 1.00 0.00 N ATOM 0 H LYS A 70 2.543 -7.422 9.311 1.00 0.00 H new ATOM 0 HA LYS A 70 2.824 -4.728 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.809 -6.951 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.459 -5.552 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.979 -6.817 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.107 -8.155 11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.158 -6.978 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.810 -5.858 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.284 -7.429 14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.105 -8.761 13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.293 -8.913 15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.827 -8.676 15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.031 -7.386 15.879 1.00 0.00 H new ATOM 1094 N LYS A 71 5.437 -5.932 8.421 1.00 0.00 N ATOM 1095 CA LYS A 71 6.554 -5.561 7.560 1.00 0.00 C ATOM 1096 C LYS A 71 6.084 -5.424 6.114 1.00 0.00 C ATOM 1097 O LYS A 71 6.566 -6.122 5.222 1.00 0.00 O ATOM 1098 CB LYS A 71 7.668 -6.604 7.655 1.00 0.00 C ATOM 1099 CG LYS A 71 8.926 -6.221 6.896 1.00 0.00 C ATOM 1100 CD LYS A 71 10.116 -7.062 7.330 1.00 0.00 C ATOM 1101 CE LYS A 71 11.265 -6.955 6.341 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.854 -7.352 4.967 1.00 0.00 N ATOM 0 H LYS A 71 5.400 -6.923 8.658 1.00 0.00 H new ATOM 0 HA LYS A 71 6.946 -4.600 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.920 -6.760 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.298 -7.555 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.760 -6.348 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.145 -5.166 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.451 -6.738 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.811 -8.104 7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.637 -5.931 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.088 -7.589 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.685 -7.690 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.146 -8.112 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.443 -6.532 4.477 1.00 0.00 H new ATOM 1116 N LEU A 72 5.130 -4.525 5.898 1.00 0.00 N ATOM 1117 CA LEU A 72 4.575 -4.294 4.571 1.00 0.00 C ATOM 1118 C LEU A 72 3.979 -2.893 4.485 1.00 0.00 C ATOM 1119 O LEU A 72 4.480 -2.036 3.757 1.00 0.00 O ATOM 1120 CB LEU A 72 3.503 -5.345 4.265 1.00 0.00 C ATOM 1121 CG LEU A 72 3.178 -5.551 2.783 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.025 -6.531 2.628 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.843 -4.223 2.120 1.00 0.00 C ATOM 0 H LEU A 72 4.724 -3.942 6.630 1.00 0.00 H new ATOM 0 HA LEU A 72 5.374 -4.378 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.826 -6.299 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.586 -5.064 4.783 1.00 0.00 H new ATOM 0 HG LEU A 72 4.056 -5.967 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.804 -6.668 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.300 -7.489 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.143 -6.139 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.615 -4.389 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.979 -3.778 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.695 -3.549 2.204 1.00 0.00 H new ATOM 1135 N VAL A 73 2.907 -2.668 5.237 1.00 0.00 N ATOM 1136 CA VAL A 73 2.241 -1.373 5.253 1.00 0.00 C ATOM 1137 C VAL A 73 2.842 -0.463 6.318 1.00 0.00 C ATOM 1138 O VAL A 73 2.918 0.753 6.136 1.00 0.00 O ATOM 1139 CB VAL A 73 0.729 -1.531 5.505 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.468 -2.096 6.895 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.012 -0.205 5.315 1.00 0.00 C ATOM 0 H VAL A 73 2.481 -3.368 5.844 1.00 0.00 H new ATOM 0 HA VAL A 73 2.390 -0.919 4.273 1.00 0.00 H new ATOM 0 HB VAL A 73 0.334 -2.238 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.606 -2.199 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.943 -3.073 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.880 -1.421 7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.054 -0.339 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.411 0.528 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.164 0.148 4.295 1.00 0.00 H new ATOM 1151 N LYS A 74 3.279 -1.056 7.426 1.00 0.00 N ATOM 1152 CA LYS A 74 3.884 -0.289 8.507 1.00 0.00 C ATOM 1153 C LYS A 74 5.138 0.415 8.007 1.00 0.00 C ATOM 1154 O LYS A 74 5.386 1.576 8.330 1.00 0.00 O ATOM 1155 CB LYS A 74 4.236 -1.201 9.684 1.00 0.00 C ATOM 1156 CG LYS A 74 3.075 -2.058 10.160 1.00 0.00 C ATOM 1157 CD LYS A 74 2.200 -1.308 11.153 1.00 0.00 C ATOM 1158 CE LYS A 74 2.520 -1.702 12.587 1.00 0.00 C ATOM 1159 NZ LYS A 74 2.626 -0.513 13.479 1.00 0.00 N ATOM 0 H LYS A 74 3.225 -2.060 7.597 1.00 0.00 H new ATOM 0 HA LYS A 74 3.164 0.456 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.061 -1.851 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.589 -0.589 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.474 -2.367 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.458 -2.966 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.344 -0.235 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.151 -1.515 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.744 -2.369 12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.457 -2.258 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.845 -0.824 14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.384 0.112 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.724 0.004 13.477 1.00 0.00 H new ATOM 1173 N ALA A 75 5.920 -0.300 7.205 1.00 0.00 N ATOM 1174 CA ALA A 75 7.143 0.251 6.643 1.00 0.00 C ATOM 1175 C ALA A 75 6.831 1.443 5.746 1.00 0.00 C ATOM 1176 O ALA A 75 7.643 2.357 5.606 1.00 0.00 O ATOM 1177 CB ALA A 75 7.898 -0.820 5.868 1.00 0.00 C ATOM 0 H ALA A 75 5.726 -1.263 6.931 1.00 0.00 H new ATOM 0 HA ALA A 75 7.775 0.596 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.811 -0.393 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.153 -1.642 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.271 -1.193 5.058 1.00 0.00 H new ATOM 1183 N PHE A 76 5.644 1.428 5.143 1.00 0.00 N ATOM 1184 CA PHE A 76 5.223 2.511 4.264 1.00 0.00 C ATOM 1185 C PHE A 76 5.245 3.844 5.004 1.00 0.00 C ATOM 1186 O PHE A 76 5.882 4.801 4.563 1.00 0.00 O ATOM 1187 CB PHE A 76 3.820 2.245 3.714 1.00 0.00 C ATOM 1188 CG PHE A 76 3.544 2.974 2.432 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.942 2.437 1.217 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.899 4.201 2.440 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.702 3.110 0.037 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.656 4.877 1.261 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.059 4.332 0.057 1.00 0.00 C ATOM 0 H PHE A 76 4.960 0.679 5.248 1.00 0.00 H new ATOM 0 HA PHE A 76 5.924 2.560 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.697 1.174 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.082 2.540 4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.445 1.482 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.583 4.633 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.017 2.681 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.151 5.832 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.872 4.860 -0.866 1.00 0.00 H new ATOM 1203 N LYS A 77 4.550 3.895 6.134 1.00 0.00 N ATOM 1204 CA LYS A 77 4.489 5.106 6.946 1.00 0.00 C ATOM 1205 C LYS A 77 5.867 5.477 7.495 1.00 0.00 C ATOM 1206 O LYS A 77 6.065 6.582 7.998 1.00 0.00 O ATOM 1207 CB LYS A 77 3.506 4.916 8.100 1.00 0.00 C ATOM 1208 CG LYS A 77 2.122 4.478 7.651 1.00 0.00 C ATOM 1209 CD LYS A 77 1.894 2.997 7.909 1.00 0.00 C ATOM 1210 CE LYS A 77 1.236 2.762 9.260 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.249 2.715 9.155 1.00 0.00 N ATOM 0 H LYS A 77 4.019 3.110 6.510 1.00 0.00 H new ATOM 0 HA LYS A 77 4.146 5.920 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.907 4.174 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.421 5.852 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.366 5.061 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.001 4.686 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.267 2.581 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.847 2.469 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.600 1.825 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.526 3.556 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.627 2.063 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.638 3.666 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.520 2.383 8.207 1.00 0.00 H new ATOM 1225 N LYS A 78 6.816 4.552 7.402 1.00 0.00 N ATOM 1226 CA LYS A 78 8.167 4.793 7.893 1.00 0.00 C ATOM 1227 C LYS A 78 9.090 5.247 6.763 1.00 0.00 C ATOM 1228 O LYS A 78 10.151 5.819 7.011 1.00 0.00 O ATOM 1229 CB LYS A 78 8.724 3.523 8.538 1.00 0.00 C ATOM 1230 CG LYS A 78 10.087 3.714 9.184 1.00 0.00 C ATOM 1231 CD LYS A 78 11.096 2.698 8.669 1.00 0.00 C ATOM 1232 CE LYS A 78 12.200 2.447 9.685 1.00 0.00 C ATOM 1233 NZ LYS A 78 12.982 1.222 9.364 1.00 0.00 N ATOM 0 H LYS A 78 6.674 3.629 6.991 1.00 0.00 H new ATOM 0 HA LYS A 78 8.120 5.588 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.020 3.170 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.797 2.743 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.449 4.722 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.994 3.620 10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.588 1.761 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.532 3.057 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.869 3.307 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.763 2.349 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.724 1.086 10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.349 0.397 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.420 1.326 8.427 1.00 0.00 H new ATOM 1247 N LYS A 79 8.686 4.977 5.525 1.00 0.00 N ATOM 1248 CA LYS A 79 9.485 5.348 4.362 1.00 0.00 C ATOM 1249 C LYS A 79 9.052 6.695 3.785 1.00 0.00 C ATOM 1250 O LYS A 79 9.889 7.539 3.469 1.00 0.00 O ATOM 1251 CB LYS A 79 9.382 4.264 3.287 1.00 0.00 C ATOM 1252 CG LYS A 79 10.677 4.041 2.522 1.00 0.00 C ATOM 1253 CD LYS A 79 10.413 3.584 1.094 1.00 0.00 C ATOM 1254 CE LYS A 79 11.189 4.419 0.086 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.591 4.666 0.525 1.00 0.00 N ATOM 0 H LYS A 79 7.811 4.503 5.302 1.00 0.00 H new ATOM 0 HA LYS A 79 10.521 5.442 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.080 3.327 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.596 4.536 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.256 4.965 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.281 3.294 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.691 2.535 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.346 3.653 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.196 3.910 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.682 5.373 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.713 5.675 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.794 4.100 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.246 4.396 -0.236 1.00 0.00 H new ATOM 1269 N PHE A 80 7.744 6.887 3.631 1.00 0.00 N ATOM 1270 CA PHE A 80 7.218 8.132 3.072 1.00 0.00 C ATOM 1271 C PHE A 80 6.497 8.972 4.124 1.00 0.00 C ATOM 1272 O PHE A 80 6.231 10.153 3.903 1.00 0.00 O ATOM 1273 CB PHE A 80 6.263 7.835 1.914 1.00 0.00 C ATOM 1274 CG PHE A 80 6.677 6.663 1.070 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.359 5.373 1.456 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.382 6.854 -0.107 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.737 4.291 0.685 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.764 5.776 -0.883 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.440 4.493 -0.486 1.00 0.00 C ATOM 0 H PHE A 80 7.032 6.202 3.883 1.00 0.00 H new ATOM 0 HA PHE A 80 8.071 8.705 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.267 7.647 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 80 6.190 8.719 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.809 5.210 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.636 7.856 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.483 3.289 0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.315 5.936 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.736 3.649 -1.091 1.00 0.00 H new ATOM 1289 N ALA A 81 6.170 8.362 5.262 1.00 0.00 N ATOM 1290 CA ALA A 81 5.469 9.067 6.332 1.00 0.00 C ATOM 1291 C ALA A 81 3.994 9.244 5.989 1.00 0.00 C ATOM 1292 O ALA A 81 3.352 10.197 6.431 1.00 0.00 O ATOM 1293 CB ALA A 81 6.116 10.418 6.605 1.00 0.00 C ATOM 0 H ALA A 81 6.379 7.385 5.466 1.00 0.00 H new ATOM 0 HA ALA A 81 5.542 8.462 7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.577 10.925 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.154 10.271 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.081 11.027 5.702 1.00 0.00 H new ATOM 1299 N CYS A 82 3.463 8.316 5.199 1.00 0.00 N ATOM 1300 CA CYS A 82 2.064 8.363 4.794 1.00 0.00 C ATOM 1301 C CYS A 82 1.213 7.482 5.700 1.00 0.00 C ATOM 1302 O CYS A 82 1.688 6.987 6.721 1.00 0.00 O ATOM 1303 CB CYS A 82 1.919 7.916 3.338 1.00 0.00 C ATOM 1304 SG CYS A 82 2.924 8.863 2.173 1.00 0.00 S ATOM 0 H CYS A 82 3.982 7.521 4.826 1.00 0.00 H new ATOM 0 HA CYS A 82 1.715 9.392 4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.191 6.863 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.872 7.996 3.047 1.00 0.00 H new ATOM 0 HG CYS A 82 2.351 8.863 1.006 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.045 7.288 5.322 1.00 0.00 N ATOM 1311 CA ASN A 83 -0.954 6.462 6.104 1.00 0.00 C ATOM 1312 C ASN A 83 -1.273 5.166 5.372 1.00 0.00 C ATOM 1313 O ASN A 83 -1.986 5.161 4.369 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.240 7.230 6.413 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.341 7.609 7.877 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -3.419 7.566 8.468 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -1.213 7.980 8.470 1.00 0.00 N ATOM 0 H ASN A 83 -0.457 7.691 4.480 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.463 6.211 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.279 8.132 5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.101 6.621 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.218 8.244 9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.341 8.001 7.941 1.00 0.00 H new ATOM 1324 N GLY A 84 -0.734 4.066 5.882 1.00 0.00 N ATOM 1325 CA GLY A 84 -0.965 2.774 5.267 1.00 0.00 C ATOM 1326 C GLY A 84 -1.941 1.926 6.056 1.00 0.00 C ATOM 1327 O GLY A 84 -1.851 1.843 7.281 1.00 0.00 O ATOM 0 H GLY A 84 -0.141 4.046 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.348 2.919 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.017 2.243 5.176 1.00 0.00 H new ATOM 1331 N THR A 85 -2.878 1.296 5.354 1.00 0.00 N ATOM 1332 CA THR A 85 -3.875 0.453 6.006 1.00 0.00 C ATOM 1333 C THR A 85 -4.130 -0.822 5.208 1.00 0.00 C ATOM 1334 O THR A 85 -3.706 -0.943 4.060 1.00 0.00 O ATOM 1335 CB THR A 85 -5.185 1.223 6.185 1.00 0.00 C ATOM 1336 OG1 THR A 85 -5.886 1.311 4.957 1.00 0.00 O ATOM 1337 CG2 THR A 85 -4.986 2.632 6.701 1.00 0.00 C ATOM 0 H THR A 85 -2.968 1.352 4.340 1.00 0.00 H new ATOM 0 HA THR A 85 -3.485 0.172 6.984 1.00 0.00 H new ATOM 0 HB THR A 85 -5.753 0.659 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.519 2.046 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.954 3.122 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.491 2.598 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.369 3.193 5.999 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.827 -1.771 5.828 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.147 -3.040 5.185 1.00 0.00 C ATOM 1347 C VAL A 86 -6.658 -3.259 5.135 1.00 0.00 C ATOM 1348 O VAL A 86 -7.369 -2.947 6.091 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.490 -4.220 5.928 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -5.055 -4.357 7.334 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.668 -5.511 5.144 1.00 0.00 C ATOM 0 H VAL A 86 -5.182 -1.683 6.780 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.755 -2.996 4.169 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.422 -4.018 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.576 -5.196 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.865 -3.441 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.129 -4.532 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.198 -6.333 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.731 -5.719 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.203 -5.408 4.163 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.143 -3.792 4.019 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.571 -4.046 3.856 1.00 0.00 C ATOM 1363 C ILE A 87 -8.822 -5.233 2.935 1.00 0.00 C ATOM 1364 O ILE A 87 -8.085 -5.453 1.974 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.299 -2.813 3.284 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.706 -2.425 1.929 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.218 -1.647 4.256 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.642 -1.600 1.073 1.00 0.00 C ATOM 0 H ILE A 87 -6.572 -4.056 3.216 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.963 -4.269 4.848 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.349 -3.067 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.786 -1.864 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.435 -3.331 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.737 -0.786 3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.686 -1.927 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.173 -1.391 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.155 -1.361 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.553 -2.167 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.893 -0.677 1.595 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.873 -5.993 3.226 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.223 -7.148 2.414 1.00 0.00 C ATOM 1382 C GLU A 88 -11.338 -6.796 1.435 1.00 0.00 C ATOM 1383 O GLU A 88 -12.476 -7.242 1.582 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.650 -8.319 3.297 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.504 -9.668 2.615 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.936 -10.822 3.500 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.967 -10.686 4.192 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.244 -11.861 3.499 1.00 0.00 O ATOM 0 H GLU A 88 -10.495 -5.828 4.017 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.340 -7.444 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.053 -8.314 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.689 -8.181 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.098 -9.674 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.464 -9.811 2.321 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.999 -5.986 0.440 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.962 -5.559 -0.569 1.00 0.00 C ATOM 1397 C HIS A 89 -12.661 -6.759 -1.209 1.00 0.00 C ATOM 1398 O HIS A 89 -12.041 -7.797 -1.435 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.258 -4.731 -1.643 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.128 -3.676 -2.251 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.687 -3.796 -3.505 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.536 -2.478 -1.772 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.401 -2.718 -3.772 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.326 -1.902 -2.736 1.00 0.00 N ATOM 0 H HIS A 89 -10.060 -5.610 0.309 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.720 -4.948 -0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.378 -4.258 -1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.905 -5.397 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.287 -2.054 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.952 -2.535 -4.682 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.781 -0.992 -2.664 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.966 -6.630 -1.509 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.743 -7.706 -2.123 1.00 0.00 C ATOM 1415 C PRO A 90 -14.526 -7.794 -3.631 1.00 0.00 C ATOM 1416 O PRO A 90 -14.678 -8.860 -4.229 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.182 -7.304 -1.813 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.155 -5.815 -1.773 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.786 -5.426 -1.271 1.00 0.00 C ATOM 0 HA PRO A 90 -14.462 -8.688 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.869 -7.668 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.514 -7.720 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.339 -5.397 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.934 -5.430 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.394 -4.563 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.808 -5.160 -0.214 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.171 -6.667 -4.239 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.933 -6.615 -5.677 1.00 0.00 C ATOM 1429 C GLU A 91 -12.509 -7.047 -6.017 1.00 0.00 C ATOM 1430 O GLU A 91 -12.222 -7.434 -7.150 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.187 -5.202 -6.205 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.502 -4.603 -5.732 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.196 -3.793 -6.809 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.644 -4.394 -7.808 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.291 -2.557 -6.653 1.00 0.00 O ATOM 0 H GLU A 91 -14.042 -5.777 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.625 -7.308 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.369 -4.554 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.178 -5.223 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.164 -5.404 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.316 -3.966 -4.867 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.618 -6.975 -5.032 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.224 -7.355 -5.232 1.00 0.00 C ATOM 1444 C TYR A 92 -9.855 -8.557 -4.370 1.00 0.00 C ATOM 1445 O TYR A 92 -9.292 -9.536 -4.860 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.306 -6.174 -4.907 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.871 -4.836 -5.333 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.618 -4.718 -6.497 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.660 -3.695 -4.569 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.141 -3.502 -6.889 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.179 -2.474 -4.956 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.918 -2.383 -6.117 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.438 -1.168 -6.504 1.00 0.00 O ATOM 0 H TYR A 92 -11.837 -6.657 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.094 -7.633 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.118 -6.155 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.344 -6.326 -5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.793 -5.592 -7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.082 -3.763 -3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.722 -3.428 -7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.007 -1.595 -4.352 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.190 -0.482 -5.849 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.178 -8.476 -3.084 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.874 -9.565 -2.176 1.00 0.00 C ATOM 1465 C GLY A 93 -8.533 -9.396 -1.488 1.00 0.00 C ATOM 1466 O GLY A 93 -7.491 -9.726 -2.054 1.00 0.00 O ATOM 0 H GLY A 93 -10.644 -7.677 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.658 -9.634 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.879 -10.505 -2.728 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.561 -8.884 -0.262 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.341 -8.674 0.509 1.00 0.00 C ATOM 1472 C GLU A 94 -6.407 -7.690 -0.189 1.00 0.00 C ATOM 1473 O GLU A 94 -5.494 -8.092 -0.910 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.622 -10.006 0.731 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.933 -10.106 2.082 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.908 -10.363 3.216 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.445 -11.488 3.292 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -7.132 -9.441 4.027 1.00 0.00 O ATOM 0 H GLU A 94 -9.416 -8.607 0.219 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.623 -8.250 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.343 -10.818 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.882 -10.146 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.197 -10.909 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.389 -9.182 2.278 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.638 -6.399 0.032 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.813 -5.361 -0.572 1.00 0.00 C ATOM 1487 C VAL A 95 -5.474 -4.277 0.445 1.00 0.00 C ATOM 1488 O VAL A 95 -6.307 -3.905 1.270 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.516 -4.715 -1.781 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.604 -5.701 -2.936 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.899 -4.211 -1.392 1.00 0.00 C ATOM 0 H VAL A 95 -7.390 -6.048 0.625 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.895 -5.840 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.924 -3.860 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.103 -5.228 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.600 -6.005 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.172 -6.578 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.379 -3.758 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.504 -5.045 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.806 -3.468 -0.600 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.248 -3.770 0.381 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.811 -2.725 1.299 1.00 0.00 C ATOM 1503 C ILE A 96 -4.339 -1.370 0.841 1.00 0.00 C ATOM 1504 O ILE A 96 -4.395 -1.093 -0.354 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.266 -2.702 1.423 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.827 -3.646 2.552 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.732 -1.287 1.647 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.824 -3.017 3.933 1.00 0.00 C ATOM 0 H ILE A 96 -3.542 -4.064 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.218 -2.942 2.286 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.841 -3.050 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.489 -4.512 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.825 -4.014 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.645 -1.317 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.016 -0.654 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.154 -0.880 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.501 -3.754 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.139 -2.169 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.829 -2.675 4.179 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.745 -0.540 1.797 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.289 0.775 1.480 1.00 0.00 C ATOM 1522 C GLN A 97 -4.387 1.897 1.987 1.00 0.00 C ATOM 1523 O GLN A 97 -4.399 2.232 3.172 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.692 0.923 2.078 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.766 1.230 1.047 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.105 1.557 1.682 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.233 1.595 2.905 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.112 1.793 0.848 1.00 0.00 N ATOM 0 H GLN A 97 -4.708 -0.754 2.794 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.345 0.856 0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.954 0.002 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.678 1.719 2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.445 2.070 0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.882 0.374 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.960 1.751 -0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.037 2.017 1.215 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.623 2.486 1.074 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.730 3.588 1.410 1.00 0.00 C ATOM 1539 C LEU A 98 -3.513 4.895 1.448 1.00 0.00 C ATOM 1540 O LEU A 98 -4.671 4.939 1.036 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.601 3.685 0.379 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.247 3.110 0.812 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.422 1.906 1.730 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.570 2.732 -0.414 1.00 0.00 C ATOM 0 H LEU A 98 -3.605 2.217 0.090 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.295 3.404 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.919 3.171 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.462 4.734 0.119 1.00 0.00 H new ATOM 0 HG LEU A 98 0.286 3.877 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.557 1.523 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.971 2.206 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.977 1.127 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.531 2.324 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.030 1.983 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.735 3.617 -1.028 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.884 5.955 1.935 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.540 7.258 2.009 1.00 0.00 C ATOM 1558 C GLN A 99 -2.947 8.222 0.988 1.00 0.00 C ATOM 1559 O GLN A 99 -1.732 8.265 0.794 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.412 7.840 3.418 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.746 8.026 4.121 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.195 9.474 4.147 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.890 10.214 5.083 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.925 9.886 3.117 1.00 0.00 N ATOM 0 H GLN A 99 -1.926 5.942 2.284 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.596 7.120 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.783 7.183 4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.904 8.802 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.504 7.424 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.669 7.655 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.154 9.239 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.256 10.850 3.080 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.813 8.990 0.334 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.354 9.940 -0.664 1.00 0.00 C ATOM 1575 C GLY A 100 -2.882 9.253 -1.930 1.00 0.00 C ATOM 1576 O GLY A 100 -2.727 8.033 -1.958 1.00 0.00 O ATOM 0 H GLY A 100 -4.823 8.972 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.162 10.630 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.540 10.535 -0.250 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.651 10.033 -2.981 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.194 9.478 -4.250 1.00 0.00 C ATOM 1582 C ASP A 101 -0.786 8.910 -4.118 1.00 0.00 C ATOM 1583 O ASP A 101 0.203 9.611 -4.335 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.230 10.545 -5.347 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.377 11.752 -5.008 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.751 12.504 -4.085 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.334 11.945 -5.669 1.00 0.00 O ATOM 0 H ASP A 101 -2.772 11.046 -2.980 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.869 8.668 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.883 10.110 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.260 10.864 -5.506 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.707 7.633 -3.760 1.00 0.00 N ATOM 1593 CA GLN A 102 0.573 6.958 -3.596 1.00 0.00 C ATOM 1594 C GLN A 102 0.860 6.039 -4.780 1.00 0.00 C ATOM 1595 O GLN A 102 1.850 5.315 -4.781 1.00 0.00 O ATOM 1596 CB GLN A 102 0.577 6.143 -2.299 1.00 0.00 C ATOM 1597 CG GLN A 102 1.336 6.805 -1.157 1.00 0.00 C ATOM 1598 CD GLN A 102 1.016 8.281 -1.014 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.887 9.089 -0.692 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.239 8.640 -1.253 1.00 0.00 N ATOM 0 H GLN A 102 -1.519 7.043 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 102 1.353 7.718 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.453 5.971 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.017 5.166 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.097 6.294 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.407 6.685 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.929 7.937 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.514 9.619 -1.172 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.011 6.071 -5.786 1.00 0.00 N ATOM 1610 CA ARG A 103 0.159 5.233 -6.969 1.00 0.00 C ATOM 1611 C ARG A 103 1.594 5.300 -7.491 1.00 0.00 C ATOM 1612 O ARG A 103 2.088 4.353 -8.102 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.820 5.662 -8.064 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.522 7.034 -8.649 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.595 7.463 -9.637 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.203 7.198 -11.020 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.421 8.002 -11.737 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.059 9.120 -11.207 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -0.116 7.685 -12.988 1.00 0.00 N ATOM 0 H ARG A 103 -0.839 6.666 -5.805 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.051 4.202 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.801 4.923 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.830 5.663 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.453 7.766 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.447 7.015 -9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.523 6.936 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.796 8.527 -9.515 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.549 6.346 -11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.171 9.368 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.658 9.731 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.481 6.826 -13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.483 8.300 -13.538 1.00 0.00 H new ATOM 1633 N LYS A 104 2.259 6.426 -7.240 1.00 0.00 N ATOM 1634 CA LYS A 104 3.638 6.614 -7.679 1.00 0.00 C ATOM 1635 C LYS A 104 4.622 6.214 -6.582 1.00 0.00 C ATOM 1636 O LYS A 104 5.765 5.855 -6.863 1.00 0.00 O ATOM 1637 CB LYS A 104 3.871 8.071 -8.083 1.00 0.00 C ATOM 1638 CG LYS A 104 3.726 8.320 -9.576 1.00 0.00 C ATOM 1639 CD LYS A 104 2.580 9.274 -9.877 1.00 0.00 C ATOM 1640 CE LYS A 104 2.797 10.629 -9.222 1.00 0.00 C ATOM 1641 NZ LYS A 104 1.965 11.691 -9.854 1.00 0.00 N ATOM 0 H LYS A 104 1.865 7.220 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 104 3.808 5.971 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.165 8.705 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.871 8.371 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.656 8.732 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.556 7.373 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.484 9.401 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.644 8.843 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.556 10.562 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.850 10.902 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.142 12.599 -9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.213 11.773 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.959 11.443 -9.764 1.00 0.00 H new ATOM 1655 N ASN A 105 4.175 6.285 -5.331 1.00 0.00 N ATOM 1656 CA ASN A 105 5.025 5.932 -4.196 1.00 0.00 C ATOM 1657 C ASN A 105 4.919 4.445 -3.871 1.00 0.00 C ATOM 1658 O ASN A 105 5.906 3.812 -3.496 1.00 0.00 O ATOM 1659 CB ASN A 105 4.638 6.762 -2.970 1.00 0.00 C ATOM 1660 CG ASN A 105 5.412 8.064 -2.886 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.636 8.065 -2.753 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.698 9.182 -2.964 1.00 0.00 N ATOM 0 H ASN A 105 3.233 6.582 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 105 6.058 6.150 -4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.570 6.979 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.817 6.177 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.163 10.089 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.685 9.134 -3.074 1.00 0.00 H new ATOM 1669 N ILE A 106 3.720 3.889 -4.017 1.00 0.00 N ATOM 1670 CA ILE A 106 3.499 2.477 -3.737 1.00 0.00 C ATOM 1671 C ILE A 106 4.329 1.601 -4.668 1.00 0.00 C ATOM 1672 O ILE A 106 5.080 0.740 -4.209 1.00 0.00 O ATOM 1673 CB ILE A 106 2.009 2.099 -3.844 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.794 0.654 -3.393 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.499 2.299 -5.263 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.323 0.368 -2.002 1.00 0.00 C ATOM 0 H ILE A 106 2.890 4.394 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 106 3.818 2.301 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 106 1.441 2.757 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.728 0.428 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.280 -0.016 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.445 2.025 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.616 3.345 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.070 1.670 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.136 -0.676 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.395 0.562 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.819 1.012 -1.281 1.00 0.00 H new ATOM 1688 N CYS A 107 4.225 1.840 -5.974 1.00 0.00 N ATOM 1689 CA CYS A 107 5.009 1.082 -6.943 1.00 0.00 C ATOM 1690 C CYS A 107 6.483 1.210 -6.591 1.00 0.00 C ATOM 1691 O CYS A 107 7.263 0.263 -6.719 1.00 0.00 O ATOM 1692 CB CYS A 107 4.758 1.600 -8.362 1.00 0.00 C ATOM 1693 SG CYS A 107 4.811 3.401 -8.512 1.00 0.00 S ATOM 0 H CYS A 107 3.611 2.546 -6.381 1.00 0.00 H new ATOM 0 HA CYS A 107 4.711 0.034 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.502 1.169 -9.031 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.783 1.247 -8.699 1.00 0.00 H new ATOM 0 HG CYS A 107 3.696 3.906 -8.074 1.00 0.00 H new ATOM 1699 N GLN A 108 6.838 2.396 -6.114 1.00 0.00 N ATOM 1700 CA GLN A 108 8.197 2.695 -5.695 1.00 0.00 C ATOM 1701 C GLN A 108 8.511 1.942 -4.404 1.00 0.00 C ATOM 1702 O GLN A 108 9.643 1.519 -4.176 1.00 0.00 O ATOM 1703 CB GLN A 108 8.345 4.215 -5.510 1.00 0.00 C ATOM 1704 CG GLN A 108 9.436 4.646 -4.540 1.00 0.00 C ATOM 1705 CD GLN A 108 10.754 4.932 -5.231 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.094 6.085 -5.494 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.505 3.878 -5.532 1.00 0.00 N ATOM 0 H GLN A 108 6.190 3.177 -6.007 1.00 0.00 H new ATOM 0 HA GLN A 108 8.908 2.370 -6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.546 4.665 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.393 4.617 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.110 5.538 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.583 3.864 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.184 2.939 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.402 4.008 -6.000 1.00 0.00 H new ATOM 1716 N PHE A 109 7.488 1.771 -3.571 1.00 0.00 N ATOM 1717 CA PHE A 109 7.633 1.062 -2.307 1.00 0.00 C ATOM 1718 C PHE A 109 7.809 -0.432 -2.550 1.00 0.00 C ATOM 1719 O PHE A 109 8.664 -1.075 -1.943 1.00 0.00 O ATOM 1720 CB PHE A 109 6.405 1.300 -1.426 1.00 0.00 C ATOM 1721 CG PHE A 109 6.469 0.601 -0.098 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.374 1.006 0.869 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.621 -0.458 0.183 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.433 0.368 2.092 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.675 -1.100 1.405 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.583 -0.686 2.361 1.00 0.00 C ATOM 0 H PHE A 109 6.546 2.117 -3.752 1.00 0.00 H new ATOM 0 HA PHE A 109 8.519 1.443 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.292 2.371 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.516 0.966 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.041 1.830 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.910 -0.785 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.143 0.693 2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.009 -1.924 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.628 -1.186 3.317 1.00 0.00 H new ATOM 1736 N LEU A 110 6.992 -0.973 -3.447 1.00 0.00 N ATOM 1737 CA LEU A 110 7.048 -2.390 -3.781 1.00 0.00 C ATOM 1738 C LEU A 110 8.432 -2.773 -4.287 1.00 0.00 C ATOM 1739 O LEU A 110 8.880 -3.906 -4.108 1.00 0.00 O ATOM 1740 CB LEU A 110 5.992 -2.724 -4.839 1.00 0.00 C ATOM 1741 CG LEU A 110 4.621 -3.134 -4.290 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.219 -2.248 -3.120 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.571 -3.075 -5.388 1.00 0.00 C ATOM 0 H LEU A 110 6.281 -0.449 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 110 6.842 -2.963 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.861 -1.856 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.371 -3.532 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 110 4.691 -4.161 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.243 -2.558 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.957 -2.340 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.168 -1.210 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.603 -3.369 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.508 -2.059 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.848 -3.755 -6.193 1.00 0.00 H new ATOM 1755 N VAL A 111 9.109 -1.821 -4.919 1.00 0.00 N ATOM 1756 CA VAL A 111 10.444 -2.056 -5.449 1.00 0.00 C ATOM 1757 C VAL A 111 11.516 -1.664 -4.435 1.00 0.00 C ATOM 1758 O VAL A 111 12.621 -2.206 -4.445 1.00 0.00 O ATOM 1759 CB VAL A 111 10.672 -1.275 -6.757 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.054 -1.562 -7.325 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.592 -1.609 -7.775 1.00 0.00 C ATOM 0 H VAL A 111 8.753 -0.878 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 111 10.521 -3.123 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 111 10.613 -0.210 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.192 -0.999 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.814 -1.265 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.148 -2.628 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.770 -1.048 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.615 -2.677 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.616 -1.342 -7.370 1.00 0.00 H new ATOM 1771 N GLU A 112 11.182 -0.719 -3.560 1.00 0.00 N ATOM 1772 CA GLU A 112 12.118 -0.256 -2.541 1.00 0.00 C ATOM 1773 C GLU A 112 12.280 -1.294 -1.436 1.00 0.00 C ATOM 1774 O GLU A 112 13.374 -1.484 -0.903 1.00 0.00 O ATOM 1775 CB GLU A 112 11.640 1.068 -1.943 1.00 0.00 C ATOM 1776 CG GLU A 112 11.898 2.270 -2.837 1.00 0.00 C ATOM 1777 CD GLU A 112 13.136 3.046 -2.432 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.541 2.946 -1.255 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.700 3.753 -3.292 1.00 0.00 O ATOM 0 H GLU A 112 10.271 -0.260 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 112 13.086 -0.105 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.571 1.000 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.137 1.225 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.006 1.934 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.033 2.932 -2.807 1.00 0.00 H new ATOM 1786 N ILE A 113 11.183 -1.961 -1.092 1.00 0.00 N ATOM 1787 CA ILE A 113 11.201 -2.976 -0.047 1.00 0.00 C ATOM 1788 C ILE A 113 11.374 -4.378 -0.630 1.00 0.00 C ATOM 1789 O ILE A 113 11.743 -5.313 0.079 1.00 0.00 O ATOM 1790 CB ILE A 113 9.906 -2.936 0.797 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.730 -3.534 0.014 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.596 -1.507 1.218 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.406 -3.451 0.744 1.00 0.00 C ATOM 0 H ILE A 113 10.270 -1.816 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 113 12.054 -2.750 0.593 1.00 0.00 H new ATOM 0 HB ILE A 113 10.059 -3.538 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.641 -3.017 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.947 -4.579 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.682 -1.493 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.421 -1.116 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.462 -0.887 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.623 -3.893 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.476 -3.993 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.165 -2.407 0.943 1.00 0.00 H new ATOM 1805 N GLY A 114 11.089 -4.519 -1.921 1.00 0.00 N ATOM 1806 CA GLY A 114 11.204 -5.813 -2.565 1.00 0.00 C ATOM 1807 C GLY A 114 9.914 -6.600 -2.472 1.00 0.00 C ATOM 1808 O GLY A 114 9.925 -7.831 -2.430 1.00 0.00 O ATOM 0 H GLY A 114 10.781 -3.761 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.472 -5.676 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.011 -6.380 -2.101 1.00 0.00 H new ATOM 1812 N LEU A 115 8.797 -5.880 -2.433 1.00 0.00 N ATOM 1813 CA LEU A 115 7.481 -6.503 -2.337 1.00 0.00 C ATOM 1814 C LEU A 115 7.040 -7.050 -3.689 1.00 0.00 C ATOM 1815 O LEU A 115 6.986 -8.263 -3.892 1.00 0.00 O ATOM 1816 CB LEU A 115 6.457 -5.487 -1.820 1.00 0.00 C ATOM 1817 CG LEU A 115 5.439 -6.034 -0.817 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.135 -6.815 0.290 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.610 -4.903 -0.229 1.00 0.00 C ATOM 0 H LEU A 115 8.777 -4.861 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 115 7.545 -7.335 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.994 -4.661 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.917 -5.075 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 115 4.772 -6.714 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.391 -7.194 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.684 -7.651 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.829 -6.160 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.891 -5.310 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.266 -4.198 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.077 -4.389 -1.029 1.00 0.00 H new ATOM 1831 N ALA A 116 6.732 -6.147 -4.612 1.00 0.00 N ATOM 1832 CA ALA A 116 6.301 -6.539 -5.946 1.00 0.00 C ATOM 1833 C ALA A 116 7.480 -6.534 -6.913 1.00 0.00 C ATOM 1834 O ALA A 116 8.635 -6.449 -6.497 1.00 0.00 O ATOM 1835 CB ALA A 116 5.206 -5.607 -6.442 1.00 0.00 C ATOM 0 H ALA A 116 6.773 -5.139 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 116 5.901 -7.552 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.893 -5.912 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.353 -5.654 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.585 -4.586 -6.477 1.00 0.00 H new ATOM 1841 N LYS A 117 7.183 -6.617 -8.205 1.00 0.00 N ATOM 1842 CA LYS A 117 8.222 -6.613 -9.228 1.00 0.00 C ATOM 1843 C LYS A 117 8.022 -5.449 -10.190 1.00 0.00 C ATOM 1844 O LYS A 117 6.919 -4.917 -10.315 1.00 0.00 O ATOM 1845 CB LYS A 117 8.219 -7.933 -9.999 1.00 0.00 C ATOM 1846 CG LYS A 117 9.605 -8.520 -10.208 1.00 0.00 C ATOM 1847 CD LYS A 117 9.995 -9.447 -9.068 1.00 0.00 C ATOM 1848 CE LYS A 117 10.136 -8.690 -7.757 1.00 0.00 C ATOM 1849 NZ LYS A 117 10.825 -9.503 -6.717 1.00 0.00 N ATOM 0 H LYS A 117 6.233 -6.688 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 117 9.186 -6.497 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.605 -8.656 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.750 -7.775 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.631 -9.069 -11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.334 -7.714 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.242 -10.228 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.936 -9.942 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.695 -7.770 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.149 -8.401 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 10.901 -8.951 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.279 -10.369 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.777 -9.757 -7.050 1.00 0.00 H new ATOM 1863 N ASP A 118 9.091 -5.060 -10.872 1.00 0.00 N ATOM 1864 CA ASP A 118 9.022 -3.961 -11.825 1.00 0.00 C ATOM 1865 C ASP A 118 8.085 -4.312 -12.974 1.00 0.00 C ATOM 1866 O ASP A 118 7.498 -3.433 -13.604 1.00 0.00 O ATOM 1867 CB ASP A 118 10.412 -3.624 -12.367 1.00 0.00 C ATOM 1868 CG ASP A 118 11.466 -3.588 -11.277 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.107 -3.324 -10.111 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.652 -3.823 -11.591 1.00 0.00 O ATOM 0 H ASP A 118 10.013 -5.487 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 118 8.632 -3.086 -11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.695 -4.362 -13.118 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.379 -2.657 -12.868 1.00 0.00 H new ATOM 1875 N ASP A 119 7.942 -5.608 -13.234 1.00 0.00 N ATOM 1876 CA ASP A 119 7.070 -6.084 -14.298 1.00 0.00 C ATOM 1877 C ASP A 119 5.625 -6.129 -13.818 1.00 0.00 C ATOM 1878 O ASP A 119 4.693 -5.919 -14.594 1.00 0.00 O ATOM 1879 CB ASP A 119 7.510 -7.472 -14.767 1.00 0.00 C ATOM 1880 CG ASP A 119 7.600 -8.464 -13.623 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.539 -8.911 -13.140 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.733 -8.793 -13.211 1.00 0.00 O ATOM 0 H ASP A 119 8.421 -6.348 -12.720 1.00 0.00 H new ATOM 0 HA ASP A 119 7.140 -5.392 -15.137 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.805 -7.842 -15.511 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.481 -7.397 -15.257 1.00 0.00 H new ATOM 1887 N GLN A 120 5.450 -6.398 -12.528 1.00 0.00 N ATOM 1888 CA GLN A 120 4.121 -6.464 -11.934 1.00 0.00 C ATOM 1889 C GLN A 120 3.558 -5.068 -11.683 1.00 0.00 C ATOM 1890 O GLN A 120 2.374 -4.913 -11.386 1.00 0.00 O ATOM 1891 CB GLN A 120 4.163 -7.237 -10.618 1.00 0.00 C ATOM 1892 CG GLN A 120 4.799 -8.613 -10.728 1.00 0.00 C ATOM 1893 CD GLN A 120 4.788 -9.353 -9.406 1.00 0.00 C ATOM 1894 OE1 GLN A 120 5.811 -9.874 -8.962 1.00 0.00 O ATOM 1895 NE2 GLN A 120 3.624 -9.403 -8.770 1.00 0.00 N ATOM 0 H GLN A 120 6.213 -6.574 -11.874 1.00 0.00 H new ATOM 0 HA GLN A 120 3.471 -6.981 -12.639 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.714 -6.651 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.146 -7.347 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.266 -9.200 -11.476 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.827 -8.510 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.802 -8.957 -9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.552 -9.888 -7.875 1.00 0.00 H new ATOM 1904 N LEU A 121 4.414 -4.057 -11.797 1.00 0.00 N ATOM 1905 CA LEU A 121 4.005 -2.673 -11.577 1.00 0.00 C ATOM 1906 C LEU A 121 2.750 -2.338 -12.373 1.00 0.00 C ATOM 1907 O LEU A 121 2.825 -1.940 -13.535 1.00 0.00 O ATOM 1908 CB LEU A 121 5.138 -1.717 -11.957 1.00 0.00 C ATOM 1909 CG LEU A 121 6.326 -1.716 -10.996 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.489 -0.930 -11.584 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.919 -1.146 -9.644 1.00 0.00 C ATOM 0 H LEU A 121 5.398 -4.170 -12.041 1.00 0.00 H new ATOM 0 HA LEU A 121 3.779 -2.554 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.495 -1.977 -12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.736 -0.706 -12.017 1.00 0.00 H new ATOM 0 HG LEU A 121 6.651 -2.746 -10.849 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.326 -0.941 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.797 -1.385 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.179 0.099 -11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.778 -1.153 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.567 -0.122 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.121 -1.754 -9.218 1.00 0.00 H new ATOM 1923 N LYS A 122 1.598 -2.505 -11.735 1.00 0.00 N ATOM 1924 CA LYS A 122 0.322 -2.224 -12.376 1.00 0.00 C ATOM 1925 C LYS A 122 -0.341 -1.001 -11.750 1.00 0.00 C ATOM 1926 O LYS A 122 -1.288 -1.124 -10.974 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.602 -3.439 -12.269 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.566 -4.340 -13.492 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.281 -3.705 -14.674 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.543 -3.964 -15.978 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.478 -4.099 -17.128 1.00 0.00 N ATOM 0 H LYS A 122 1.523 -2.834 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 122 0.507 -2.012 -13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.323 -4.021 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.624 -3.095 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.469 -4.548 -13.761 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.032 -5.296 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.294 -4.102 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.370 -2.631 -14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.153 -3.147 -16.170 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.051 -4.873 -15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.935 -4.275 -17.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.126 -4.895 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.027 -3.222 -17.234 1.00 0.00 H new ATOM 1945 N VAL A 123 0.169 0.178 -12.090 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.366 1.428 -11.562 1.00 0.00 C ATOM 1947 C VAL A 123 -1.491 1.961 -12.444 1.00 0.00 C ATOM 1948 O VAL A 123 -1.261 2.354 -13.586 1.00 0.00 O ATOM 1949 CB VAL A 123 0.735 2.501 -11.445 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.332 2.810 -12.811 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.187 3.765 -10.797 1.00 0.00 C ATOM 0 H VAL A 123 0.954 0.294 -12.731 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.761 1.212 -10.569 1.00 0.00 H new ATOM 0 HB VAL A 123 1.528 2.109 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.107 3.569 -12.706 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.767 1.903 -13.231 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.550 3.179 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.980 4.509 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.628 4.161 -11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.184 3.531 -9.799 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.710 1.968 -11.910 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.863 2.451 -12.661 1.00 0.00 C ATOM 1963 C HIS A 124 -4.438 3.718 -12.040 1.00 0.00 C ATOM 1964 O HIS A 124 -4.959 4.583 -12.746 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.939 1.370 -12.726 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.421 0.053 -13.211 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.577 -0.383 -14.509 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.735 -0.920 -12.568 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.009 -1.568 -14.644 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.490 -1.915 -13.482 1.00 0.00 N ATOM 0 H HIS A 124 -2.923 1.647 -10.966 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.528 2.689 -13.671 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.374 1.240 -11.735 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.741 1.703 -13.385 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.056 0.129 -15.250 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.436 -0.915 -11.530 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.975 -2.153 -15.551 1.00 0.00 H new ATOM 1979 N GLY A 125 -4.348 3.823 -10.720 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.874 4.989 -10.037 1.00 0.00 C ATOM 1981 C GLY A 125 -6.359 5.169 -10.280 1.00 0.00 C ATOM 1982 O GLY A 125 -7.168 4.345 -9.852 1.00 0.00 O ATOM 0 H GLY A 125 -3.922 3.124 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.691 4.895 -8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.341 5.878 -10.375 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.718 6.242 -10.972 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.118 6.518 -11.273 1.00 0.00 C ATOM 1988 C PHE A 126 -8.253 7.767 -12.142 1.00 0.00 C ATOM 1989 O PHE A 126 -7.264 8.128 -12.814 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.920 6.675 -9.973 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.907 8.067 -9.406 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.726 8.637 -8.958 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -10.077 8.804 -9.326 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.713 9.917 -8.441 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.070 10.085 -8.808 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.886 10.643 -8.366 1.00 0.00 C ATOM 1997 OXT PHE A 126 -9.345 8.373 -12.143 1.00 0.00 O ATOM 0 H PHE A 126 -6.062 6.934 -11.335 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.522 5.674 -11.832 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.953 6.380 -10.158 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.521 5.987 -9.228 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.806 8.074 -9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.005 8.373 -9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.786 10.351 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.989 10.649 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.877 11.645 -7.963 1.00 0.00 H new TER 2007 PHE A 126