USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 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 68 MET CE :methyl -166:sc= -0.0163 (180deg=-0.273) USER MOD Set 1.2: A 73 THR OG1 : rot 76:sc= 1.16 USER MOD Set 2.1: A 64 ASN : amide:sc= -0.97 K(o=-0.82,f=-1.9) USER MOD Set 2.2: A 66 THR OG1 : rot 31:sc= 0.152 USER MOD Set 3.1: A 47 TYR OH : rot -144:sc= 0.0086 USER MOD Set 3.2: A 50 ASN : amide:sc= -0.085 K(o=-0.076,f=-0.68) USER MOD Set 4.1: A 6 TYR OH : rot -133:sc= 1.92 USER MOD Set 4.2: A 38 TYR OH : rot 130:sc= 0.479 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.724 (180deg=-3.42!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0955 USER MOD Single : A 14 THR OG1 : rot 129:sc= 1.87 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0479) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 22 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.18) USER MOD Single : A 25 SER OG : rot -81:sc= 0.23 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.656 (180deg=-1.29) USER MOD Single : A 28 SER OG : rot -86:sc= 0.0698 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 84:sc= -0.905 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.0894 (180deg=-0.83) USER MOD Single : A 45 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.8!) USER MOD Single : A 46 MET CE :methyl -173:sc= -1.28 (180deg=-1.3) USER MOD Single : A 51 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.6) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.588 F(o=-1.7,f=-0.59) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 76 LYS NZ :NH3+ -111:sc= 0.98 (180deg=-0.0756) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.816 11.953 7.433 1.00 55.13 N ATOM 2 CA MET A 1 -2.015 10.886 8.022 1.00 72.32 C ATOM 3 C MET A 1 -2.518 9.518 7.572 1.00 62.34 C ATOM 4 O MET A 1 -3.686 9.181 7.761 1.00 53.55 O ATOM 5 CB MET A 1 -2.049 10.977 9.549 1.00 32.01 C ATOM 6 CG MET A 1 -1.445 9.768 10.243 1.00 20.02 C ATOM 7 SD MET A 1 -0.676 10.184 11.820 1.00 1.54 S ATOM 8 CE MET A 1 -1.895 9.550 12.969 1.00 44.32 C ATOM 0 H1 MET A 1 -2.190 12.716 7.104 1.00 55.13 H new ATOM 0 H2 MET A 1 -3.356 11.577 6.628 1.00 55.13 H new ATOM 0 H3 MET A 1 -3.473 12.328 8.146 1.00 55.13 H new ATOM 0 HA MET A 1 -0.987 11.007 7.681 1.00 72.32 H new ATOM 0 HB2 MET A 1 -1.512 11.872 9.864 1.00 32.01 H new ATOM 0 HB3 MET A 1 -3.083 11.094 9.875 1.00 32.01 H new ATOM 0 HG2 MET A 1 -2.223 9.023 10.408 1.00 20.02 H new ATOM 0 HG3 MET A 1 -0.701 9.313 9.589 1.00 20.02 H new ATOM 0 HE1 MET A 1 -1.562 9.733 13.991 1.00 44.32 H new ATOM 0 HE2 MET A 1 -2.848 10.053 12.803 1.00 44.32 H new ATOM 0 HE3 MET A 1 -2.018 8.478 12.814 1.00 44.32 H new ATOM 16 N VAL A 2 -1.627 8.733 6.972 1.00 44.51 N ATOM 17 CA VAL A 2 -1.979 7.401 6.496 1.00 12.32 C ATOM 18 C VAL A 2 -1.137 6.331 7.180 1.00 20.10 C ATOM 19 O VAL A 2 0.088 6.438 7.248 1.00 35.32 O ATOM 20 CB VAL A 2 -1.798 7.284 4.971 1.00 14.20 C ATOM 21 CG1 VAL A 2 -2.715 8.260 4.248 1.00 44.31 C ATOM 22 CG2 VAL A 2 -0.345 7.523 4.588 1.00 1.31 C ATOM 0 H VAL A 2 -0.656 8.998 6.805 1.00 44.51 H new ATOM 0 HA VAL A 2 -3.029 7.245 6.743 1.00 12.32 H new ATOM 0 HB VAL A 2 -2.070 6.273 4.667 1.00 14.20 H new ATOM 0 HG11 VAL A 2 -2.573 8.163 3.172 1.00 44.31 H new ATOM 0 HG12 VAL A 2 -3.752 8.039 4.499 1.00 44.31 H new ATOM 0 HG13 VAL A 2 -2.477 9.278 4.555 1.00 44.31 H new ATOM 0 HG21 VAL A 2 -0.235 7.437 3.507 1.00 1.31 H new ATOM 0 HG22 VAL A 2 -0.045 8.522 4.905 1.00 1.31 H new ATOM 0 HG23 VAL A 2 0.287 6.782 5.078 1.00 1.31 H new ATOM 32 N THR A 3 -1.801 5.298 7.688 1.00 65.23 N ATOM 33 CA THR A 3 -1.113 4.207 8.367 1.00 53.44 C ATOM 34 C THR A 3 -1.076 2.953 7.500 1.00 14.41 C ATOM 35 O THR A 3 -2.095 2.542 6.945 1.00 65.24 O ATOM 36 CB THR A 3 -1.787 3.868 9.711 1.00 20.12 C ATOM 37 OG1 THR A 3 -2.242 5.068 10.347 1.00 74.44 O ATOM 38 CG2 THR A 3 -0.823 3.134 10.631 1.00 3.35 C ATOM 0 H THR A 3 -2.815 5.194 7.642 1.00 65.23 H new ATOM 0 HA THR A 3 -0.094 4.545 8.554 1.00 53.44 H new ATOM 0 HB THR A 3 -2.639 3.218 9.511 1.00 20.12 H new ATOM 0 HG1 THR A 3 -2.671 4.844 11.199 1.00 74.44 H new ATOM 0 HG21 THR A 3 -1.322 2.906 11.573 1.00 3.35 H new ATOM 0 HG22 THR A 3 -0.502 2.207 10.156 1.00 3.35 H new ATOM 0 HG23 THR A 3 0.046 3.763 10.824 1.00 3.35 H new ATOM 46 N VAL A 4 0.103 2.351 7.388 1.00 1.33 N ATOM 47 CA VAL A 4 0.272 1.143 6.590 1.00 24.11 C ATOM 48 C VAL A 4 0.638 -0.049 7.467 1.00 32.20 C ATOM 49 O VAL A 4 1.613 -0.004 8.217 1.00 1.01 O ATOM 50 CB VAL A 4 1.359 1.329 5.514 1.00 3.24 C ATOM 51 CG1 VAL A 4 0.838 2.188 4.372 1.00 33.01 C ATOM 52 CG2 VAL A 4 2.611 1.937 6.124 1.00 75.42 C ATOM 0 H VAL A 4 0.956 2.680 7.840 1.00 1.33 H new ATOM 0 HA VAL A 4 -0.683 0.950 6.101 1.00 24.11 H new ATOM 0 HB VAL A 4 1.619 0.351 5.110 1.00 3.24 H new ATOM 0 HG11 VAL A 4 1.619 2.309 3.622 1.00 33.01 H new ATOM 0 HG12 VAL A 4 -0.028 1.705 3.920 1.00 33.01 H new ATOM 0 HG13 VAL A 4 0.549 3.167 4.755 1.00 33.01 H new ATOM 0 HG21 VAL A 4 3.369 2.062 5.351 1.00 75.42 H new ATOM 0 HG22 VAL A 4 2.370 2.908 6.556 1.00 75.42 H new ATOM 0 HG23 VAL A 4 2.993 1.278 6.903 1.00 75.42 H new ATOM 62 N ARG A 5 -0.150 -1.115 7.367 1.00 20.44 N ATOM 63 CA ARG A 5 0.091 -2.319 8.152 1.00 64.45 C ATOM 64 C ARG A 5 0.515 -3.477 7.254 1.00 23.43 C ATOM 65 O ARG A 5 0.068 -3.588 6.112 1.00 21.13 O ATOM 66 CB ARG A 5 -1.165 -2.702 8.936 1.00 43.32 C ATOM 67 CG ARG A 5 -1.218 -2.101 10.332 1.00 23.21 C ATOM 68 CD ARG A 5 -2.650 -1.964 10.825 1.00 61.24 C ATOM 69 NE ARG A 5 -3.218 -3.249 11.222 1.00 52.14 N ATOM 70 CZ ARG A 5 -4.378 -3.376 11.858 1.00 71.52 C ATOM 71 NH1 ARG A 5 -5.089 -2.300 12.166 1.00 15.20 N ATOM 72 NH2 ARG A 5 -4.828 -4.580 12.185 1.00 50.13 N ATOM 0 H ARG A 5 -0.960 -1.169 6.750 1.00 20.44 H new ATOM 0 HA ARG A 5 0.899 -2.110 8.853 1.00 64.45 H new ATOM 0 HB2 ARG A 5 -2.044 -2.380 8.377 1.00 43.32 H new ATOM 0 HB3 ARG A 5 -1.217 -3.788 9.015 1.00 43.32 H new ATOM 0 HG2 ARG A 5 -0.653 -2.729 11.021 1.00 23.21 H new ATOM 0 HG3 ARG A 5 -0.739 -1.122 10.326 1.00 23.21 H new ATOM 0 HD2 ARG A 5 -2.678 -1.278 11.672 1.00 61.24 H new ATOM 0 HD3 ARG A 5 -3.263 -1.524 10.039 1.00 61.24 H new ATOM 0 HE ARG A 5 -2.696 -4.096 10.999 1.00 52.14 H new ATOM 0 HH11 ARG A 5 -4.746 -1.373 11.915 1.00 15.20 H new ATOM 0 HH12 ARG A 5 -5.979 -2.399 12.654 1.00 15.20 H new ATOM 0 HH21 ARG A 5 -4.284 -5.410 11.948 1.00 50.13 H new ATOM 0 HH22 ARG A 5 -5.718 -4.676 12.673 1.00 50.13 H new ATOM 83 N TYR A 6 1.381 -4.339 7.777 1.00 34.43 N ATOM 84 CA TYR A 6 1.868 -5.487 7.021 1.00 71.22 C ATOM 85 C TYR A 6 1.936 -6.730 7.903 1.00 54.12 C ATOM 86 O TYR A 6 2.364 -6.664 9.055 1.00 1.51 O ATOM 87 CB TYR A 6 3.248 -5.188 6.433 1.00 51.04 C ATOM 88 CG TYR A 6 3.353 -3.823 5.793 1.00 14.53 C ATOM 89 CD1 TYR A 6 2.675 -3.532 4.616 1.00 31.13 C ATOM 90 CD2 TYR A 6 4.127 -2.821 6.368 1.00 24.21 C ATOM 91 CE1 TYR A 6 2.767 -2.286 4.027 1.00 54.51 C ATOM 92 CE2 TYR A 6 4.224 -1.572 5.787 1.00 14.35 C ATOM 93 CZ TYR A 6 3.543 -1.309 4.617 1.00 71.02 C ATOM 94 OH TYR A 6 3.637 -0.065 4.035 1.00 24.13 O ATOM 0 H TYR A 6 1.760 -4.264 8.721 1.00 34.43 H new ATOM 0 HA TYR A 6 1.168 -5.679 6.208 1.00 71.22 H new ATOM 0 HB2 TYR A 6 3.995 -5.267 7.223 1.00 51.04 H new ATOM 0 HB3 TYR A 6 3.489 -5.948 5.689 1.00 51.04 H new ATOM 0 HD1 TYR A 6 2.065 -4.294 4.153 1.00 31.13 H new ATOM 0 HD2 TYR A 6 4.661 -3.023 7.285 1.00 24.21 H new ATOM 0 HE1 TYR A 6 2.235 -2.078 3.111 1.00 54.51 H new ATOM 0 HE2 TYR A 6 4.830 -0.805 6.246 1.00 14.35 H new ATOM 0 HH TYR A 6 4.577 0.211 4.004 1.00 24.13 H new ATOM 103 N TYR A 7 1.513 -7.861 7.352 1.00 25.13 N ATOM 104 CA TYR A 7 1.523 -9.120 8.087 1.00 53.24 C ATOM 105 C TYR A 7 2.774 -9.931 7.762 1.00 2.22 C ATOM 106 O TYR A 7 3.671 -9.456 7.067 1.00 63.54 O ATOM 107 CB TYR A 7 0.272 -9.938 7.760 1.00 33.44 C ATOM 108 CG TYR A 7 -0.686 -10.070 8.921 1.00 40.15 C ATOM 109 CD1 TYR A 7 -1.155 -8.948 9.593 1.00 30.25 C ATOM 110 CD2 TYR A 7 -1.122 -11.318 9.348 1.00 25.04 C ATOM 111 CE1 TYR A 7 -2.030 -9.066 10.655 1.00 12.43 C ATOM 112 CE2 TYR A 7 -1.998 -11.446 10.409 1.00 10.04 C ATOM 113 CZ TYR A 7 -2.449 -10.316 11.059 1.00 22.03 C ATOM 114 OH TYR A 7 -3.322 -10.437 12.116 1.00 0.02 O ATOM 0 H TYR A 7 1.159 -7.932 6.398 1.00 25.13 H new ATOM 0 HA TYR A 7 1.528 -8.888 9.152 1.00 53.24 H new ATOM 0 HB2 TYR A 7 -0.247 -9.472 6.922 1.00 33.44 H new ATOM 0 HB3 TYR A 7 0.574 -10.933 7.434 1.00 33.44 H new ATOM 0 HD1 TYR A 7 -0.830 -7.967 9.280 1.00 30.25 H new ATOM 0 HD2 TYR A 7 -0.770 -12.204 8.841 1.00 25.04 H new ATOM 0 HE1 TYR A 7 -2.384 -8.183 11.167 1.00 12.43 H new ATOM 0 HE2 TYR A 7 -2.327 -12.424 10.727 1.00 10.04 H new ATOM 0 HH TYR A 7 -3.518 -11.385 12.272 1.00 0.02 H new ATOM 123 N ALA A 8 2.824 -11.158 8.270 1.00 2.12 N ATOM 124 CA ALA A 8 3.962 -12.038 8.032 1.00 33.40 C ATOM 125 C ALA A 8 4.287 -12.124 6.544 1.00 51.22 C ATOM 126 O ALA A 8 5.451 -12.240 6.158 1.00 32.25 O ATOM 127 CB ALA A 8 3.685 -13.424 8.595 1.00 34.54 C ATOM 0 H ALA A 8 2.090 -11.565 8.849 1.00 2.12 H new ATOM 0 HA ALA A 8 4.828 -11.618 8.543 1.00 33.40 H new ATOM 0 HB1 ALA A 8 4.543 -14.070 8.410 1.00 34.54 H new ATOM 0 HB2 ALA A 8 3.510 -13.352 9.668 1.00 34.54 H new ATOM 0 HB3 ALA A 8 2.804 -13.844 8.111 1.00 34.54 H new ATOM 133 N THR A 9 3.252 -12.067 5.712 1.00 45.31 N ATOM 134 CA THR A 9 3.427 -12.141 4.268 1.00 21.42 C ATOM 135 C THR A 9 4.353 -11.038 3.769 1.00 61.23 C ATOM 136 O THR A 9 5.139 -11.244 2.843 1.00 12.12 O ATOM 137 CB THR A 9 2.078 -12.036 3.531 1.00 55.31 C ATOM 138 OG1 THR A 9 1.086 -11.485 4.404 1.00 14.21 O ATOM 139 CG2 THR A 9 1.624 -13.400 3.035 1.00 13.14 C ATOM 0 H THR A 9 2.283 -11.970 6.015 1.00 45.31 H new ATOM 0 HA THR A 9 3.874 -13.112 4.054 1.00 21.42 H new ATOM 0 HB THR A 9 2.209 -11.380 2.670 1.00 55.31 H new ATOM 0 HG1 THR A 9 0.232 -11.420 3.928 1.00 14.21 H new ATOM 0 HG21 THR A 9 0.670 -13.300 2.518 1.00 13.14 H new ATOM 0 HG22 THR A 9 2.368 -13.804 2.348 1.00 13.14 H new ATOM 0 HG23 THR A 9 1.509 -14.075 3.883 1.00 13.14 H new ATOM 147 N LEU A 10 4.256 -9.867 4.388 1.00 74.23 N ATOM 148 CA LEU A 10 5.088 -8.730 4.007 1.00 13.32 C ATOM 149 C LEU A 10 5.997 -8.310 5.158 1.00 22.23 C ATOM 150 O LEU A 10 6.436 -7.163 5.229 1.00 13.30 O ATOM 151 CB LEU A 10 4.210 -7.551 3.581 1.00 41.43 C ATOM 152 CG LEU A 10 3.482 -7.705 2.245 1.00 64.43 C ATOM 153 CD1 LEU A 10 2.161 -6.952 2.266 1.00 72.23 C ATOM 154 CD2 LEU A 10 4.359 -7.217 1.101 1.00 11.20 C ATOM 0 H LEU A 10 3.610 -9.679 5.155 1.00 74.23 H new ATOM 0 HA LEU A 10 5.712 -9.034 3.167 1.00 13.32 H new ATOM 0 HB2 LEU A 10 3.467 -7.378 4.359 1.00 41.43 H new ATOM 0 HB3 LEU A 10 4.834 -6.659 3.531 1.00 41.43 H new ATOM 0 HG LEU A 10 3.270 -8.763 2.088 1.00 64.43 H new ATOM 0 HD11 LEU A 10 1.658 -7.073 1.307 1.00 72.23 H new ATOM 0 HD12 LEU A 10 1.529 -7.349 3.060 1.00 72.23 H new ATOM 0 HD13 LEU A 10 2.348 -5.893 2.446 1.00 72.23 H new ATOM 0 HD21 LEU A 10 3.825 -7.334 0.158 1.00 11.20 H new ATOM 0 HD22 LEU A 10 4.602 -6.165 1.252 1.00 11.20 H new ATOM 0 HD23 LEU A 10 5.278 -7.802 1.072 1.00 11.20 H new ATOM 165 N ARG A 11 6.279 -9.249 6.056 1.00 25.04 N ATOM 166 CA ARG A 11 7.137 -8.978 7.202 1.00 75.30 C ATOM 167 C ARG A 11 8.573 -8.715 6.756 1.00 14.44 C ATOM 168 O ARG A 11 9.147 -7.658 7.022 1.00 61.14 O ATOM 169 CB ARG A 11 7.104 -10.153 8.181 1.00 21.23 C ATOM 170 CG ARG A 11 8.409 -10.358 8.930 1.00 53.34 C ATOM 171 CD ARG A 11 8.231 -11.298 10.112 1.00 52.42 C ATOM 172 NE ARG A 11 7.421 -10.700 11.170 1.00 43.32 N ATOM 173 CZ ARG A 11 6.871 -11.397 12.158 1.00 11.31 C ATOM 174 NH1 ARG A 11 7.044 -12.710 12.223 1.00 11.43 N ATOM 175 NH2 ARG A 11 6.148 -10.781 13.084 1.00 11.45 N ATOM 0 H ARG A 11 5.925 -10.205 6.011 1.00 25.04 H new ATOM 0 HA ARG A 11 6.760 -8.086 7.703 1.00 75.30 H new ATOM 0 HB2 ARG A 11 6.303 -9.992 8.902 1.00 21.23 H new ATOM 0 HB3 ARG A 11 6.862 -11.064 7.634 1.00 21.23 H new ATOM 0 HG2 ARG A 11 9.160 -10.763 8.251 1.00 53.34 H new ATOM 0 HG3 ARG A 11 8.783 -9.396 9.282 1.00 53.34 H new ATOM 0 HD2 ARG A 11 7.761 -12.221 9.773 1.00 52.42 H new ATOM 0 HD3 ARG A 11 9.209 -11.567 10.512 1.00 52.42 H new ATOM 0 HE ARG A 11 7.269 -9.692 11.149 1.00 43.32 H new ATOM 0 HH11 ARG A 11 7.600 -13.187 11.513 1.00 11.43 H new ATOM 0 HH12 ARG A 11 6.621 -13.243 12.983 1.00 11.43 H new ATOM 0 HH21 ARG A 11 6.014 -9.771 13.038 1.00 11.45 H new ATOM 0 HH22 ARG A 11 5.726 -11.317 13.842 1.00 11.45 H new ATOM 186 N PRO A 12 9.167 -9.696 6.062 1.00 2.24 N ATOM 187 CA PRO A 12 10.542 -9.594 5.565 1.00 71.41 C ATOM 188 C PRO A 12 10.675 -8.581 4.433 1.00 3.11 C ATOM 189 O PRO A 12 11.784 -8.261 4.001 1.00 11.45 O ATOM 190 CB PRO A 12 10.841 -11.007 5.056 1.00 14.52 C ATOM 191 CG PRO A 12 9.507 -11.580 4.723 1.00 41.00 C ATOM 192 CD PRO A 12 8.542 -10.982 5.709 1.00 40.32 C ATOM 0 HA PRO A 12 11.230 -9.250 6.337 1.00 71.41 H new ATOM 0 HB2 PRO A 12 11.491 -10.983 4.181 1.00 14.52 H new ATOM 0 HB3 PRO A 12 11.349 -11.602 5.815 1.00 14.52 H new ATOM 0 HG2 PRO A 12 9.221 -11.335 3.700 1.00 41.00 H new ATOM 0 HG3 PRO A 12 9.519 -12.667 4.799 1.00 41.00 H new ATOM 0 HD2 PRO A 12 7.554 -10.841 5.270 1.00 40.32 H new ATOM 0 HD3 PRO A 12 8.414 -11.620 6.583 1.00 40.32 H new ATOM 197 N ILE A 13 9.541 -8.080 3.958 1.00 33.34 N ATOM 198 CA ILE A 13 9.531 -7.100 2.877 1.00 63.25 C ATOM 199 C ILE A 13 9.449 -5.679 3.423 1.00 41.54 C ATOM 200 O ILE A 13 9.991 -4.743 2.835 1.00 70.14 O ATOM 201 CB ILE A 13 8.355 -7.338 1.913 1.00 12.20 C ATOM 202 CG1 ILE A 13 8.219 -8.828 1.596 1.00 30.14 C ATOM 203 CG2 ILE A 13 8.547 -6.534 0.636 1.00 33.22 C ATOM 204 CD1 ILE A 13 7.082 -9.144 0.650 1.00 34.33 C ATOM 0 H ILE A 13 8.616 -8.336 4.304 1.00 33.34 H new ATOM 0 HA ILE A 13 10.467 -7.222 2.332 1.00 63.25 H new ATOM 0 HB ILE A 13 7.436 -7.004 2.395 1.00 12.20 H new ATOM 0 HG12 ILE A 13 9.152 -9.185 1.161 1.00 30.14 H new ATOM 0 HG13 ILE A 13 8.070 -9.377 2.526 1.00 30.14 H new ATOM 0 HG21 ILE A 13 7.708 -6.713 -0.036 1.00 33.22 H new ATOM 0 HG22 ILE A 13 8.598 -5.473 0.879 1.00 33.22 H new ATOM 0 HG23 ILE A 13 9.473 -6.840 0.149 1.00 33.22 H new ATOM 0 HD11 ILE A 13 7.046 -10.219 0.471 1.00 34.33 H new ATOM 0 HD12 ILE A 13 6.140 -8.818 1.091 1.00 34.33 H new ATOM 0 HD13 ILE A 13 7.239 -8.623 -0.295 1.00 34.33 H new ATOM 215 N THR A 14 8.768 -5.525 4.555 1.00 74.50 N ATOM 216 CA THR A 14 8.615 -4.217 5.181 1.00 45.32 C ATOM 217 C THR A 14 9.675 -3.995 6.254 1.00 75.33 C ATOM 218 O THR A 14 9.501 -3.170 7.151 1.00 53.24 O ATOM 219 CB THR A 14 7.220 -4.059 5.815 1.00 31.23 C ATOM 220 OG1 THR A 14 7.014 -2.699 6.213 1.00 61.10 O ATOM 221 CG2 THR A 14 7.065 -4.975 7.020 1.00 15.41 C ATOM 0 H THR A 14 8.314 -6.289 5.056 1.00 74.50 H new ATOM 0 HA THR A 14 8.736 -3.473 4.394 1.00 45.32 H new ATOM 0 HB THR A 14 6.474 -4.336 5.070 1.00 31.23 H new ATOM 0 HG1 THR A 14 6.164 -2.376 5.848 1.00 61.10 H new ATOM 0 HG21 THR A 14 6.072 -4.845 7.450 1.00 15.41 H new ATOM 0 HG22 THR A 14 7.193 -6.012 6.708 1.00 15.41 H new ATOM 0 HG23 THR A 14 7.819 -4.725 7.766 1.00 15.41 H new ATOM 229 N LYS A 15 10.775 -4.733 6.154 1.00 33.32 N ATOM 230 CA LYS A 15 11.866 -4.614 7.113 1.00 41.51 C ATOM 231 C LYS A 15 11.328 -4.452 8.532 1.00 11.20 C ATOM 232 O LYS A 15 11.863 -3.678 9.325 1.00 72.54 O ATOM 233 CB LYS A 15 12.760 -3.424 6.757 1.00 23.21 C ATOM 234 CG LYS A 15 12.049 -2.084 6.835 1.00 43.24 C ATOM 235 CD LYS A 15 12.994 -0.934 6.534 1.00 55.15 C ATOM 236 CE LYS A 15 13.218 -0.062 7.761 1.00 31.31 C ATOM 237 NZ LYS A 15 12.353 1.149 7.746 1.00 34.22 N ATOM 0 H LYS A 15 10.934 -5.421 5.418 1.00 33.32 H new ATOM 0 HA LYS A 15 12.456 -5.529 7.068 1.00 41.51 H new ATOM 0 HB2 LYS A 15 13.617 -3.410 7.430 1.00 23.21 H new ATOM 0 HB3 LYS A 15 13.149 -3.561 5.748 1.00 23.21 H new ATOM 0 HG2 LYS A 15 11.220 -2.069 6.128 1.00 43.24 H new ATOM 0 HG3 LYS A 15 11.622 -1.955 7.830 1.00 43.24 H new ATOM 0 HD2 LYS A 15 13.949 -1.328 6.187 1.00 55.15 H new ATOM 0 HD3 LYS A 15 12.586 -0.328 5.725 1.00 55.15 H new ATOM 0 HE2 LYS A 15 13.015 -0.642 8.661 1.00 31.31 H new ATOM 0 HE3 LYS A 15 14.264 0.240 7.806 1.00 31.31 H new ATOM 0 HZ1 LYS A 15 12.460 1.663 8.643 1.00 34.22 H new ATOM 0 HZ2 LYS A 15 12.634 1.766 6.957 1.00 34.22 H new ATOM 0 HZ3 LYS A 15 11.360 0.865 7.627 1.00 34.22 H new ATOM 247 N LYS A 16 10.268 -5.188 8.845 1.00 22.22 N ATOM 248 CA LYS A 16 9.658 -5.129 10.169 1.00 32.34 C ATOM 249 C LYS A 16 9.679 -3.705 10.713 1.00 11.33 C ATOM 250 O LYS A 16 10.261 -3.439 11.765 1.00 32.32 O ATOM 251 CB LYS A 16 10.391 -6.066 11.132 1.00 13.45 C ATOM 252 CG LYS A 16 11.891 -5.832 11.186 1.00 12.45 C ATOM 253 CD LYS A 16 12.560 -6.736 12.208 1.00 25.45 C ATOM 254 CE LYS A 16 12.685 -8.161 11.690 1.00 3.22 C ATOM 255 NZ LYS A 16 13.722 -8.931 12.432 1.00 13.13 N ATOM 0 H LYS A 16 9.812 -5.833 8.200 1.00 22.22 H new ATOM 0 HA LYS A 16 8.620 -5.450 10.080 1.00 32.34 H new ATOM 0 HB2 LYS A 16 9.976 -5.942 12.132 1.00 13.45 H new ATOM 0 HB3 LYS A 16 10.203 -7.098 10.835 1.00 13.45 H new ATOM 0 HG2 LYS A 16 12.324 -6.011 10.202 1.00 12.45 H new ATOM 0 HG3 LYS A 16 12.089 -4.790 11.436 1.00 12.45 H new ATOM 0 HD2 LYS A 16 13.549 -6.346 12.448 1.00 25.45 H new ATOM 0 HD3 LYS A 16 11.983 -6.732 13.133 1.00 25.45 H new ATOM 0 HE2 LYS A 16 11.723 -8.666 11.780 1.00 3.22 H new ATOM 0 HE3 LYS A 16 12.936 -8.141 10.630 1.00 3.22 H new ATOM 0 HZ1 LYS A 16 13.777 -9.897 12.050 1.00 13.13 H new ATOM 0 HZ2 LYS A 16 14.645 -8.463 12.325 1.00 13.13 H new ATOM 0 HZ3 LYS A 16 13.469 -8.972 13.440 1.00 13.13 H new ATOM 265 N LYS A 17 9.038 -2.791 9.992 1.00 53.52 N ATOM 266 CA LYS A 17 8.979 -1.394 10.404 1.00 75.42 C ATOM 267 C LYS A 17 7.748 -0.706 9.822 1.00 54.14 C ATOM 268 O LYS A 17 7.589 -0.624 8.605 1.00 62.41 O ATOM 269 CB LYS A 17 10.246 -0.656 9.961 1.00 31.23 C ATOM 270 CG LYS A 17 10.557 0.574 10.796 1.00 63.30 C ATOM 271 CD LYS A 17 12.018 0.611 11.210 1.00 64.52 C ATOM 272 CE LYS A 17 12.288 -0.317 12.385 1.00 51.25 C ATOM 273 NZ LYS A 17 11.970 0.331 13.687 1.00 13.55 N ATOM 0 H LYS A 17 8.552 -2.993 9.119 1.00 53.52 H new ATOM 0 HA LYS A 17 8.910 -1.365 11.491 1.00 75.42 H new ATOM 0 HB2 LYS A 17 11.092 -1.342 10.011 1.00 31.23 H new ATOM 0 HB3 LYS A 17 10.137 -0.359 8.918 1.00 31.23 H new ATOM 0 HG2 LYS A 17 10.316 1.472 10.227 1.00 63.30 H new ATOM 0 HG3 LYS A 17 9.926 0.581 11.685 1.00 63.30 H new ATOM 0 HD2 LYS A 17 12.644 0.322 10.366 1.00 64.52 H new ATOM 0 HD3 LYS A 17 12.295 1.630 11.479 1.00 64.52 H new ATOM 0 HE2 LYS A 17 11.693 -1.224 12.276 1.00 51.25 H new ATOM 0 HE3 LYS A 17 13.335 -0.619 12.376 1.00 51.25 H new ATOM 0 HZ1 LYS A 17 12.167 -0.333 14.463 1.00 13.55 H new ATOM 0 HZ2 LYS A 17 12.556 1.183 13.803 1.00 13.55 H new ATOM 0 HZ3 LYS A 17 10.965 0.597 13.706 1.00 13.55 H new ATOM 283 N GLU A 18 6.882 -0.211 10.701 1.00 73.44 N ATOM 284 CA GLU A 18 5.666 0.470 10.274 1.00 24.43 C ATOM 285 C GLU A 18 5.664 1.923 10.738 1.00 34.33 C ATOM 286 O GLU A 18 6.133 2.236 11.832 1.00 10.50 O ATOM 287 CB GLU A 18 4.431 -0.253 10.818 1.00 74.13 C ATOM 288 CG GLU A 18 3.151 0.556 10.697 1.00 12.43 C ATOM 289 CD GLU A 18 1.911 -0.270 10.984 1.00 33.31 C ATOM 290 OE1 GLU A 18 2.020 -1.514 11.006 1.00 13.32 O ATOM 291 OE2 GLU A 18 0.834 0.328 11.185 1.00 31.21 O ATOM 0 H GLU A 18 7.000 -0.269 11.712 1.00 73.44 H new ATOM 0 HA GLU A 18 5.636 0.455 9.185 1.00 24.43 H new ATOM 0 HB2 GLU A 18 4.307 -1.195 10.284 1.00 74.13 H new ATOM 0 HB3 GLU A 18 4.597 -0.500 11.867 1.00 74.13 H new ATOM 0 HG2 GLU A 18 3.191 1.398 11.388 1.00 12.43 H new ATOM 0 HG3 GLU A 18 3.082 0.972 9.692 1.00 12.43 H new ATOM 296 N GLU A 19 5.134 2.807 9.898 1.00 61.10 N ATOM 297 CA GLU A 19 5.073 4.227 10.222 1.00 11.32 C ATOM 298 C GLU A 19 3.962 4.917 9.436 1.00 20.32 C ATOM 299 O GLU A 19 3.464 4.385 8.443 1.00 1.40 O ATOM 300 CB GLU A 19 6.415 4.899 9.926 1.00 34.21 C ATOM 301 CG GLU A 19 6.604 6.224 10.645 1.00 21.32 C ATOM 302 CD GLU A 19 6.455 6.099 12.148 1.00 32.14 C ATOM 303 OE1 GLU A 19 7.049 5.167 12.728 1.00 44.33 O ATOM 304 OE2 GLU A 19 5.744 6.935 12.745 1.00 30.33 O ATOM 0 H GLU A 19 4.741 2.564 8.989 1.00 61.10 H new ATOM 0 HA GLU A 19 4.855 4.321 11.286 1.00 11.32 H new ATOM 0 HB2 GLU A 19 7.221 4.223 10.211 1.00 34.21 H new ATOM 0 HB3 GLU A 19 6.501 5.063 8.852 1.00 34.21 H new ATOM 0 HG2 GLU A 19 7.592 6.621 10.414 1.00 21.32 H new ATOM 0 HG3 GLU A 19 5.876 6.943 10.270 1.00 21.32 H new ATOM 309 N THR A 20 3.577 6.107 9.887 1.00 3.54 N ATOM 310 CA THR A 20 2.524 6.870 9.228 1.00 32.35 C ATOM 311 C THR A 20 3.100 8.064 8.475 1.00 34.02 C ATOM 312 O THR A 20 4.134 8.613 8.857 1.00 43.33 O ATOM 313 CB THR A 20 1.477 7.372 10.240 1.00 35.51 C ATOM 314 OG1 THR A 20 2.127 7.830 11.431 1.00 72.14 O ATOM 315 CG2 THR A 20 0.489 6.270 10.587 1.00 12.35 C ATOM 0 H THR A 20 3.979 6.563 10.706 1.00 3.54 H new ATOM 0 HA THR A 20 2.041 6.196 8.520 1.00 32.35 H new ATOM 0 HB THR A 20 0.930 8.198 9.785 1.00 35.51 H new ATOM 0 HG1 THR A 20 1.455 8.149 12.069 1.00 72.14 H new ATOM 0 HG21 THR A 20 -0.241 6.648 11.303 1.00 12.35 H new ATOM 0 HG22 THR A 20 -0.025 5.944 9.683 1.00 12.35 H new ATOM 0 HG23 THR A 20 1.023 5.427 11.024 1.00 12.35 H new ATOM 323 N PHE A 21 2.424 8.463 7.402 1.00 52.54 N ATOM 324 CA PHE A 21 2.869 9.592 6.595 1.00 32.33 C ATOM 325 C PHE A 21 1.725 10.574 6.355 1.00 24.24 C ATOM 326 O PHE A 21 0.574 10.173 6.187 1.00 42.32 O ATOM 327 CB PHE A 21 3.424 9.103 5.256 1.00 70.03 C ATOM 328 CG PHE A 21 4.446 8.010 5.395 1.00 3.00 C ATOM 329 CD1 PHE A 21 5.763 8.310 5.704 1.00 72.30 C ATOM 330 CD2 PHE A 21 4.089 6.684 5.217 1.00 4.41 C ATOM 331 CE1 PHE A 21 6.706 7.307 5.833 1.00 22.44 C ATOM 332 CE2 PHE A 21 5.026 5.676 5.345 1.00 71.32 C ATOM 333 CZ PHE A 21 6.337 5.989 5.652 1.00 42.23 C ATOM 0 H PHE A 21 1.566 8.021 7.072 1.00 52.54 H new ATOM 0 HA PHE A 21 3.659 10.107 7.142 1.00 32.33 H new ATOM 0 HB2 PHE A 21 2.600 8.743 4.640 1.00 70.03 H new ATOM 0 HB3 PHE A 21 3.873 9.945 4.728 1.00 70.03 H new ATOM 0 HD1 PHE A 21 6.056 9.340 5.846 1.00 72.30 H new ATOM 0 HD2 PHE A 21 3.066 6.434 4.975 1.00 4.41 H new ATOM 0 HE1 PHE A 21 7.729 7.554 6.075 1.00 22.44 H new ATOM 0 HE2 PHE A 21 4.734 4.646 5.205 1.00 71.32 H new ATOM 0 HZ PHE A 21 7.072 5.203 5.750 1.00 42.23 H new ATOM 342 N ASN A 22 2.051 11.862 6.341 1.00 53.05 N ATOM 343 CA ASN A 22 1.051 12.902 6.122 1.00 50.54 C ATOM 344 C ASN A 22 1.355 13.690 4.852 1.00 43.25 C ATOM 345 O ASN A 22 2.476 13.665 4.346 1.00 3.32 O ATOM 346 CB ASN A 22 0.999 13.848 7.324 1.00 75.32 C ATOM 347 CG ASN A 22 2.370 14.093 7.926 1.00 10.53 C ATOM 348 OD1 ASN A 22 3.246 14.675 7.287 1.00 53.41 O ATOM 349 ND2 ASN A 22 2.560 13.649 9.163 1.00 43.25 N ATOM 0 H ASN A 22 2.999 12.211 6.479 1.00 53.05 H new ATOM 0 HA ASN A 22 0.080 12.420 6.005 1.00 50.54 H new ATOM 0 HB2 ASN A 22 0.565 14.799 7.016 1.00 75.32 H new ATOM 0 HB3 ASN A 22 0.341 13.429 8.085 1.00 75.32 H new ATOM 0 HD21 ASN A 22 3.461 13.785 9.621 1.00 43.25 H new ATOM 0 HD22 ASN A 22 1.805 13.172 9.655 1.00 43.25 H new ATOM 355 N GLY A 23 0.346 14.389 4.342 1.00 34.12 N ATOM 356 CA GLY A 23 0.525 15.177 3.135 1.00 5.41 C ATOM 357 C GLY A 23 -0.478 14.819 2.056 1.00 5.51 C ATOM 358 O GLY A 23 -1.603 15.321 2.055 1.00 62.41 O ATOM 0 H GLY A 23 -0.592 14.424 4.742 1.00 34.12 H new ATOM 0 HA2 GLY A 23 0.430 16.235 3.378 1.00 5.41 H new ATOM 0 HA3 GLY A 23 1.535 15.027 2.753 1.00 5.41 H new ATOM 362 N ILE A 24 -0.071 13.951 1.136 1.00 52.15 N ATOM 363 CA ILE A 24 -0.942 13.528 0.048 1.00 71.41 C ATOM 364 C ILE A 24 -2.129 12.727 0.572 1.00 72.22 C ATOM 365 O ILE A 24 -1.989 11.921 1.493 1.00 33.43 O ATOM 366 CB ILE A 24 -0.180 12.677 -0.985 1.00 73.51 C ATOM 367 CG1 ILE A 24 0.968 13.484 -1.597 1.00 42.32 C ATOM 368 CG2 ILE A 24 -1.126 12.187 -2.071 1.00 2.15 C ATOM 369 CD1 ILE A 24 0.506 14.689 -2.385 1.00 73.12 C ATOM 0 H ILE A 24 0.857 13.527 1.123 1.00 52.15 H new ATOM 0 HA ILE A 24 -1.304 14.435 -0.436 1.00 71.41 H new ATOM 0 HB ILE A 24 0.240 11.809 -0.477 1.00 73.51 H new ATOM 0 HG12 ILE A 24 1.634 13.815 -0.800 1.00 42.32 H new ATOM 0 HG13 ILE A 24 1.550 12.834 -2.250 1.00 42.32 H new ATOM 0 HG21 ILE A 24 -0.572 11.587 -2.793 1.00 2.15 H new ATOM 0 HG22 ILE A 24 -1.912 11.580 -1.622 1.00 2.15 H new ATOM 0 HG23 ILE A 24 -1.573 13.043 -2.577 1.00 2.15 H new ATOM 0 HD11 ILE A 24 1.372 15.213 -2.789 1.00 73.12 H new ATOM 0 HD12 ILE A 24 -0.136 14.364 -3.203 1.00 73.12 H new ATOM 0 HD13 ILE A 24 -0.051 15.360 -1.731 1.00 73.12 H new ATOM 380 N SER A 25 -3.297 12.953 -0.020 1.00 33.22 N ATOM 381 CA SER A 25 -4.510 12.255 0.389 1.00 60.20 C ATOM 382 C SER A 25 -5.034 11.370 -0.739 1.00 64.35 C ATOM 383 O SER A 25 -6.195 11.470 -1.135 1.00 74.52 O ATOM 384 CB SER A 25 -5.586 13.259 0.806 1.00 32.44 C ATOM 385 OG SER A 25 -5.383 13.702 2.136 1.00 62.54 O ATOM 0 H SER A 25 -3.429 13.615 -0.785 1.00 33.22 H new ATOM 0 HA SER A 25 -4.265 11.621 1.241 1.00 60.20 H new ATOM 0 HB2 SER A 25 -5.573 14.113 0.129 1.00 32.44 H new ATOM 0 HB3 SER A 25 -6.570 12.799 0.719 1.00 32.44 H new ATOM 0 HG SER A 25 -5.737 13.035 2.761 1.00 62.54 H new ATOM 390 N LYS A 26 -4.168 10.502 -1.251 1.00 71.32 N ATOM 391 CA LYS A 26 -4.540 9.596 -2.332 1.00 41.54 C ATOM 392 C LYS A 26 -3.698 8.325 -2.289 1.00 23.44 C ATOM 393 O LYS A 26 -2.572 8.330 -1.794 1.00 52.41 O ATOM 394 CB LYS A 26 -4.370 10.288 -3.685 1.00 71.31 C ATOM 395 CG LYS A 26 -5.374 11.402 -3.929 1.00 23.52 C ATOM 396 CD LYS A 26 -5.154 12.064 -5.280 1.00 13.33 C ATOM 397 CE LYS A 26 -4.194 13.238 -5.175 1.00 73.04 C ATOM 398 NZ LYS A 26 -2.772 12.792 -5.163 1.00 11.12 N ATOM 0 H LYS A 26 -3.203 10.407 -0.935 1.00 71.32 H new ATOM 0 HA LYS A 26 -5.587 9.322 -2.200 1.00 41.54 H new ATOM 0 HB2 LYS A 26 -3.362 10.698 -3.750 1.00 71.31 H new ATOM 0 HB3 LYS A 26 -4.464 9.546 -4.478 1.00 71.31 H new ATOM 0 HG2 LYS A 26 -6.385 10.999 -3.881 1.00 23.52 H new ATOM 0 HG3 LYS A 26 -5.290 12.148 -3.139 1.00 23.52 H new ATOM 0 HD2 LYS A 26 -4.760 11.332 -5.985 1.00 13.33 H new ATOM 0 HD3 LYS A 26 -6.109 12.408 -5.678 1.00 13.33 H new ATOM 0 HE2 LYS A 26 -4.355 13.915 -6.014 1.00 73.04 H new ATOM 0 HE3 LYS A 26 -4.406 13.800 -4.266 1.00 73.04 H new ATOM 0 HZ1 LYS A 26 -2.157 13.587 -5.429 1.00 11.12 H new ATOM 0 HZ2 LYS A 26 -2.519 12.463 -4.209 1.00 11.12 H new ATOM 0 HZ3 LYS A 26 -2.646 12.015 -5.842 1.00 11.12 H new ATOM 408 N ILE A 27 -4.253 7.237 -2.815 1.00 74.24 N ATOM 409 CA ILE A 27 -3.551 5.959 -2.840 1.00 10.24 C ATOM 410 C ILE A 27 -2.467 5.947 -3.912 1.00 0.30 C ATOM 411 O ILE A 27 -1.501 5.191 -3.824 1.00 44.03 O ATOM 412 CB ILE A 27 -4.521 4.790 -3.093 1.00 51.12 C ATOM 413 CG1 ILE A 27 -5.568 4.718 -1.980 1.00 24.13 C ATOM 414 CG2 ILE A 27 -3.756 3.479 -3.192 1.00 71.23 C ATOM 415 CD1 ILE A 27 -4.984 4.421 -0.617 1.00 42.22 C ATOM 0 H ILE A 27 -5.185 7.215 -3.229 1.00 74.24 H new ATOM 0 HA ILE A 27 -3.090 5.833 -1.860 1.00 10.24 H new ATOM 0 HB ILE A 27 -5.034 4.961 -4.039 1.00 51.12 H new ATOM 0 HG12 ILE A 27 -6.106 5.665 -1.937 1.00 24.13 H new ATOM 0 HG13 ILE A 27 -6.298 3.948 -2.229 1.00 24.13 H new ATOM 0 HG21 ILE A 27 -4.455 2.662 -3.371 1.00 71.23 H new ATOM 0 HG22 ILE A 27 -3.044 3.534 -4.016 1.00 71.23 H new ATOM 0 HG23 ILE A 27 -3.219 3.300 -2.260 1.00 71.23 H new ATOM 0 HD11 ILE A 27 -5.785 4.385 0.122 1.00 42.22 H new ATOM 0 HD12 ILE A 27 -4.471 3.460 -0.643 1.00 42.22 H new ATOM 0 HD13 ILE A 27 -4.275 5.204 -0.346 1.00 42.22 H new ATOM 426 N SER A 28 -2.635 6.794 -4.924 1.00 44.05 N ATOM 427 CA SER A 28 -1.672 6.879 -6.015 1.00 71.43 C ATOM 428 C SER A 28 -0.276 7.194 -5.485 1.00 32.45 C ATOM 429 O SER A 28 0.685 6.484 -5.778 1.00 72.22 O ATOM 430 CB SER A 28 -2.102 7.950 -7.020 1.00 54.15 C ATOM 431 OG SER A 28 -0.976 8.579 -7.607 1.00 74.03 O ATOM 0 H SER A 28 -3.428 7.430 -5.010 1.00 44.05 H new ATOM 0 HA SER A 28 -1.641 5.911 -6.516 1.00 71.43 H new ATOM 0 HB2 SER A 28 -2.717 7.497 -7.798 1.00 54.15 H new ATOM 0 HB3 SER A 28 -2.720 8.696 -6.520 1.00 54.15 H new ATOM 0 HG SER A 28 -0.677 9.315 -7.034 1.00 74.03 H new ATOM 436 N GLU A 29 -0.174 8.264 -4.703 1.00 21.03 N ATOM 437 CA GLU A 29 1.104 8.674 -4.133 1.00 14.24 C ATOM 438 C GLU A 29 1.511 7.748 -2.990 1.00 70.02 C ATOM 439 O GLU A 29 2.699 7.540 -2.738 1.00 2.21 O ATOM 440 CB GLU A 29 1.023 10.117 -3.631 1.00 41.34 C ATOM 441 CG GLU A 29 1.953 11.069 -4.365 1.00 41.35 C ATOM 442 CD GLU A 29 1.868 10.922 -5.871 1.00 15.14 C ATOM 443 OE1 GLU A 29 0.741 10.956 -6.407 1.00 1.42 O ATOM 444 OE2 GLU A 29 2.928 10.773 -6.514 1.00 50.10 O ATOM 0 H GLU A 29 -0.960 8.862 -4.450 1.00 21.03 H new ATOM 0 HA GLU A 29 1.860 8.611 -4.916 1.00 14.24 H new ATOM 0 HB2 GLU A 29 -0.002 10.472 -3.734 1.00 41.34 H new ATOM 0 HB3 GLU A 29 1.261 10.137 -2.568 1.00 41.34 H new ATOM 0 HG2 GLU A 29 1.708 12.095 -4.089 1.00 41.35 H new ATOM 0 HG3 GLU A 29 2.979 10.889 -4.043 1.00 41.35 H new ATOM 449 N LEU A 30 0.518 7.197 -2.301 1.00 3.40 N ATOM 450 CA LEU A 30 0.772 6.293 -1.184 1.00 11.13 C ATOM 451 C LEU A 30 1.467 5.020 -1.660 1.00 13.52 C ATOM 452 O LEU A 30 2.490 4.617 -1.107 1.00 65.14 O ATOM 453 CB LEU A 30 -0.540 5.939 -0.481 1.00 61.13 C ATOM 454 CG LEU A 30 -0.434 4.939 0.671 1.00 4.33 C ATOM 455 CD1 LEU A 30 -0.226 5.665 1.991 1.00 30.05 C ATOM 456 CD2 LEU A 30 -1.679 4.064 0.733 1.00 64.25 C ATOM 0 H LEU A 30 -0.470 7.360 -2.496 1.00 3.40 H new ATOM 0 HA LEU A 30 1.430 6.802 -0.479 1.00 11.13 H new ATOM 0 HB2 LEU A 30 -0.984 6.858 -0.098 1.00 61.13 H new ATOM 0 HB3 LEU A 30 -1.230 5.537 -1.223 1.00 61.13 H new ATOM 0 HG LEU A 30 0.429 4.298 0.492 1.00 4.33 H new ATOM 0 HD11 LEU A 30 -0.153 4.937 2.799 1.00 30.05 H new ATOM 0 HD12 LEU A 30 0.693 6.249 1.944 1.00 30.05 H new ATOM 0 HD13 LEU A 30 -1.069 6.330 2.177 1.00 30.05 H new ATOM 0 HD21 LEU A 30 -1.587 3.358 1.558 1.00 64.25 H new ATOM 0 HD22 LEU A 30 -2.557 4.691 0.888 1.00 64.25 H new ATOM 0 HD23 LEU A 30 -1.785 3.516 -0.203 1.00 64.25 H new ATOM 467 N LEU A 31 0.904 4.395 -2.688 1.00 55.23 N ATOM 468 CA LEU A 31 1.470 3.170 -3.240 1.00 63.24 C ATOM 469 C LEU A 31 2.766 3.458 -3.992 1.00 53.41 C ATOM 470 O LEU A 31 3.726 2.693 -3.908 1.00 33.10 O ATOM 471 CB LEU A 31 0.465 2.496 -4.176 1.00 73.14 C ATOM 472 CG LEU A 31 -0.620 1.655 -3.501 1.00 63.12 C ATOM 473 CD1 LEU A 31 -1.570 1.079 -4.539 1.00 64.14 C ATOM 474 CD2 LEU A 31 0.006 0.543 -2.672 1.00 20.44 C ATOM 0 H LEU A 31 0.056 4.716 -3.156 1.00 55.23 H new ATOM 0 HA LEU A 31 1.693 2.498 -2.411 1.00 63.24 H new ATOM 0 HB2 LEU A 31 -0.020 3.268 -4.773 1.00 73.14 H new ATOM 0 HB3 LEU A 31 1.014 1.857 -4.868 1.00 73.14 H new ATOM 0 HG LEU A 31 -1.191 2.300 -2.834 1.00 63.12 H new ATOM 0 HD11 LEU A 31 -2.335 0.484 -4.041 1.00 64.14 H new ATOM 0 HD12 LEU A 31 -2.044 1.892 -5.090 1.00 64.14 H new ATOM 0 HD13 LEU A 31 -1.013 0.448 -5.232 1.00 64.14 H new ATOM 0 HD21 LEU A 31 -0.781 -0.045 -2.199 1.00 20.44 H new ATOM 0 HD22 LEU A 31 0.602 -0.101 -3.318 1.00 20.44 H new ATOM 0 HD23 LEU A 31 0.646 0.978 -1.904 1.00 20.44 H new ATOM 485 N GLU A 32 2.785 4.569 -4.722 1.00 74.31 N ATOM 486 CA GLU A 32 3.965 4.960 -5.487 1.00 44.10 C ATOM 487 C GLU A 32 5.145 5.239 -4.562 1.00 42.33 C ATOM 488 O GLU A 32 6.296 4.972 -4.907 1.00 64.24 O ATOM 489 CB GLU A 32 3.663 6.196 -6.335 1.00 0.31 C ATOM 490 CG GLU A 32 4.805 6.597 -7.254 1.00 1.04 C ATOM 491 CD GLU A 32 4.388 7.625 -8.288 1.00 64.02 C ATOM 492 OE1 GLU A 32 3.340 8.274 -8.090 1.00 10.40 O ATOM 493 OE2 GLU A 32 5.109 7.780 -9.295 1.00 63.44 O ATOM 0 H GLU A 32 1.998 5.214 -4.800 1.00 74.31 H new ATOM 0 HA GLU A 32 4.230 4.133 -6.146 1.00 44.10 H new ATOM 0 HB2 GLU A 32 2.774 6.006 -6.936 1.00 0.31 H new ATOM 0 HB3 GLU A 32 3.429 7.031 -5.675 1.00 0.31 H new ATOM 0 HG2 GLU A 32 5.623 6.999 -6.657 1.00 1.04 H new ATOM 0 HG3 GLU A 32 5.187 5.711 -7.761 1.00 1.04 H new ATOM 498 N ARG A 33 4.850 5.779 -3.383 1.00 61.42 N ATOM 499 CA ARG A 33 5.887 6.097 -2.408 1.00 23.02 C ATOM 500 C ARG A 33 6.372 4.836 -1.700 1.00 41.32 C ATOM 501 O ARG A 33 7.574 4.579 -1.619 1.00 72.01 O ATOM 502 CB ARG A 33 5.360 7.102 -1.382 1.00 44.21 C ATOM 503 CG ARG A 33 6.325 7.365 -0.236 1.00 32.52 C ATOM 504 CD ARG A 33 5.702 8.263 0.821 1.00 32.22 C ATOM 505 NE ARG A 33 5.154 9.489 0.244 1.00 42.13 N ATOM 506 CZ ARG A 33 5.903 10.499 -0.184 1.00 63.13 C ATOM 507 NH1 ARG A 33 7.225 10.429 -0.103 1.00 1.31 N ATOM 508 NH2 ARG A 33 5.331 11.580 -0.696 1.00 22.42 N ATOM 0 H ARG A 33 3.903 6.005 -3.080 1.00 61.42 H new ATOM 0 HA ARG A 33 6.729 6.540 -2.940 1.00 23.02 H new ATOM 0 HB2 ARG A 33 5.143 8.044 -1.886 1.00 44.21 H new ATOM 0 HB3 ARG A 33 4.418 6.734 -0.976 1.00 44.21 H new ATOM 0 HG2 ARG A 33 6.620 6.419 0.217 1.00 32.52 H new ATOM 0 HG3 ARG A 33 7.232 7.830 -0.622 1.00 32.52 H new ATOM 0 HD2 ARG A 33 4.910 7.720 1.337 1.00 32.22 H new ATOM 0 HD3 ARG A 33 6.453 8.518 1.568 1.00 32.22 H new ATOM 0 HE ARG A 33 4.141 9.574 0.166 1.00 42.13 H new ATOM 0 HH11 ARG A 33 7.669 9.598 0.289 1.00 1.31 H new ATOM 0 HH12 ARG A 33 7.798 11.206 -0.432 1.00 1.31 H new ATOM 0 HH21 ARG A 33 4.315 11.637 -0.762 1.00 22.42 H new ATOM 0 HH22 ARG A 33 5.907 12.355 -1.024 1.00 22.42 H new ATOM 519 N LEU A 34 5.430 4.052 -1.187 1.00 51.22 N ATOM 520 CA LEU A 34 5.761 2.817 -0.484 1.00 11.43 C ATOM 521 C LEU A 34 6.422 1.816 -1.425 1.00 43.35 C ATOM 522 O LEU A 34 7.260 1.015 -1.009 1.00 3.44 O ATOM 523 CB LEU A 34 4.501 2.204 0.130 1.00 44.34 C ATOM 524 CG LEU A 34 3.757 3.072 1.144 1.00 53.43 C ATOM 525 CD1 LEU A 34 2.297 2.658 1.233 1.00 1.34 C ATOM 526 CD2 LEU A 34 4.422 2.984 2.511 1.00 50.02 C ATOM 0 H LEU A 34 4.431 4.249 -1.245 1.00 51.22 H new ATOM 0 HA LEU A 34 6.465 3.058 0.312 1.00 11.43 H new ATOM 0 HB2 LEU A 34 3.813 1.953 -0.677 1.00 44.34 H new ATOM 0 HB3 LEU A 34 4.777 1.268 0.616 1.00 44.34 H new ATOM 0 HG LEU A 34 3.799 4.108 0.806 1.00 53.43 H new ATOM 0 HD11 LEU A 34 1.784 3.288 1.960 1.00 1.34 H new ATOM 0 HD12 LEU A 34 1.826 2.773 0.257 1.00 1.34 H new ATOM 0 HD13 LEU A 34 2.233 1.616 1.546 1.00 1.34 H new ATOM 0 HD21 LEU A 34 3.879 3.608 3.221 1.00 50.02 H new ATOM 0 HD22 LEU A 34 4.411 1.950 2.855 1.00 50.02 H new ATOM 0 HD23 LEU A 34 5.453 3.331 2.437 1.00 50.02 H new ATOM 537 N LYS A 35 6.041 1.867 -2.697 1.00 63.31 N ATOM 538 CA LYS A 35 6.599 0.966 -3.700 1.00 15.10 C ATOM 539 C LYS A 35 8.123 1.004 -3.677 1.00 55.03 C ATOM 540 O LYS A 35 8.779 -0.037 -3.626 1.00 14.52 O ATOM 541 CB LYS A 35 6.089 1.345 -5.093 1.00 63.35 C ATOM 542 CG LYS A 35 6.943 0.792 -6.222 1.00 14.12 C ATOM 543 CD LYS A 35 6.126 0.583 -7.486 1.00 72.31 C ATOM 544 CE LYS A 35 5.539 1.893 -7.994 1.00 64.25 C ATOM 545 NZ LYS A 35 4.062 1.943 -7.819 1.00 40.35 N ATOM 0 H LYS A 35 5.348 2.523 -3.058 1.00 63.31 H new ATOM 0 HA LYS A 35 6.275 -0.048 -3.464 1.00 15.10 H new ATOM 0 HB2 LYS A 35 5.068 0.982 -5.209 1.00 63.35 H new ATOM 0 HB3 LYS A 35 6.052 2.431 -5.175 1.00 63.35 H new ATOM 0 HG2 LYS A 35 7.765 1.478 -6.428 1.00 14.12 H new ATOM 0 HG3 LYS A 35 7.387 -0.154 -5.914 1.00 14.12 H new ATOM 0 HD2 LYS A 35 6.756 0.141 -8.259 1.00 72.31 H new ATOM 0 HD3 LYS A 35 5.321 -0.125 -7.287 1.00 72.31 H new ATOM 0 HE2 LYS A 35 5.996 2.727 -7.461 1.00 64.25 H new ATOM 0 HE3 LYS A 35 5.784 2.016 -9.049 1.00 64.25 H new ATOM 0 HZ1 LYS A 35 3.701 2.850 -8.177 1.00 40.35 H new ATOM 0 HZ2 LYS A 35 3.623 1.163 -8.348 1.00 40.35 H new ATOM 0 HZ3 LYS A 35 3.829 1.851 -6.810 1.00 40.35 H new ATOM 555 N VAL A 36 8.682 2.210 -3.713 1.00 2.03 N ATOM 556 CA VAL A 36 10.129 2.382 -3.694 1.00 74.31 C ATOM 557 C VAL A 36 10.692 2.155 -2.295 1.00 34.14 C ATOM 558 O VAL A 36 11.782 1.610 -2.135 1.00 63.41 O ATOM 559 CB VAL A 36 10.534 3.789 -4.176 1.00 3.50 C ATOM 560 CG1 VAL A 36 12.048 3.922 -4.225 1.00 70.04 C ATOM 561 CG2 VAL A 36 9.920 4.081 -5.537 1.00 50.21 C ATOM 0 H VAL A 36 8.154 3.082 -3.755 1.00 2.03 H new ATOM 0 HA VAL A 36 10.544 1.639 -4.375 1.00 74.31 H new ATOM 0 HB VAL A 36 10.153 4.522 -3.465 1.00 3.50 H new ATOM 0 HG11 VAL A 36 12.315 4.922 -4.568 1.00 70.04 H new ATOM 0 HG12 VAL A 36 12.460 3.758 -3.229 1.00 70.04 H new ATOM 0 HG13 VAL A 36 12.456 3.182 -4.913 1.00 70.04 H new ATOM 0 HG21 VAL A 36 10.216 5.078 -5.863 1.00 50.21 H new ATOM 0 HG22 VAL A 36 10.270 3.344 -6.260 1.00 50.21 H new ATOM 0 HG23 VAL A 36 8.834 4.030 -5.465 1.00 50.21 H new ATOM 571 N GLU A 37 9.938 2.579 -1.285 1.00 21.42 N ATOM 572 CA GLU A 37 10.362 2.422 0.101 1.00 62.12 C ATOM 573 C GLU A 37 10.737 0.972 0.395 1.00 65.22 C ATOM 574 O GLU A 37 11.808 0.693 0.935 1.00 14.42 O ATOM 575 CB GLU A 37 9.252 2.874 1.052 1.00 13.22 C ATOM 576 CG GLU A 37 9.749 3.229 2.444 1.00 60.42 C ATOM 577 CD GLU A 37 10.246 4.658 2.539 1.00 22.13 C ATOM 578 OE1 GLU A 37 10.561 5.248 1.484 1.00 53.41 O ATOM 579 OE2 GLU A 37 10.320 5.186 3.668 1.00 31.31 O ATOM 0 H GLU A 37 9.032 3.033 -1.401 1.00 21.42 H new ATOM 0 HA GLU A 37 11.242 3.046 0.257 1.00 62.12 H new ATOM 0 HB2 GLU A 37 8.749 3.741 0.623 1.00 13.22 H new ATOM 0 HB3 GLU A 37 8.509 2.081 1.132 1.00 13.22 H new ATOM 0 HG2 GLU A 37 8.943 3.080 3.162 1.00 60.42 H new ATOM 0 HG3 GLU A 37 10.554 2.549 2.723 1.00 60.42 H new ATOM 584 N TYR A 38 9.848 0.052 0.035 1.00 71.33 N ATOM 585 CA TYR A 38 10.084 -1.369 0.261 1.00 51.33 C ATOM 586 C TYR A 38 10.639 -2.036 -0.993 1.00 74.51 C ATOM 587 O TYR A 38 11.059 -3.192 -0.962 1.00 73.52 O ATOM 588 CB TYR A 38 8.788 -2.060 0.688 1.00 74.13 C ATOM 589 CG TYR A 38 8.054 -1.338 1.795 1.00 43.40 C ATOM 590 CD1 TYR A 38 8.598 -1.245 3.071 1.00 23.02 C ATOM 591 CD2 TYR A 38 6.816 -0.751 1.567 1.00 52.41 C ATOM 592 CE1 TYR A 38 7.930 -0.588 4.086 1.00 12.23 C ATOM 593 CE2 TYR A 38 6.142 -0.090 2.575 1.00 54.11 C ATOM 594 CZ TYR A 38 6.702 -0.011 3.834 1.00 32.51 C ATOM 595 OH TYR A 38 6.033 0.645 4.841 1.00 62.22 O ATOM 0 H TYR A 38 8.958 0.265 -0.414 1.00 71.33 H new ATOM 0 HA TYR A 38 10.821 -1.467 1.058 1.00 51.33 H new ATOM 0 HB2 TYR A 38 8.130 -2.146 -0.177 1.00 74.13 H new ATOM 0 HB3 TYR A 38 9.018 -3.074 1.016 1.00 74.13 H new ATOM 0 HD1 TYR A 38 9.559 -1.694 3.272 1.00 23.02 H new ATOM 0 HD2 TYR A 38 6.373 -0.813 0.584 1.00 52.41 H new ATOM 0 HE1 TYR A 38 8.367 -0.526 5.072 1.00 12.23 H new ATOM 0 HE2 TYR A 38 5.181 0.363 2.379 1.00 54.11 H new ATOM 0 HH TYR A 38 5.752 1.529 4.525 1.00 62.22 H new ATOM 604 N GLY A 39 10.640 -1.296 -2.099 1.00 11.33 N ATOM 605 CA GLY A 39 11.146 -1.831 -3.349 1.00 50.11 C ATOM 606 C GLY A 39 10.054 -2.449 -4.200 1.00 43.32 C ATOM 607 O GLY A 39 8.925 -2.627 -3.741 1.00 74.14 O ATOM 0 H GLY A 39 10.299 -0.336 -2.151 1.00 11.33 H new ATOM 0 HA2 GLY A 39 11.633 -1.034 -3.911 1.00 50.11 H new ATOM 0 HA3 GLY A 39 11.907 -2.583 -3.137 1.00 50.11 H new ATOM 611 N SER A 40 10.389 -2.776 -5.444 1.00 43.43 N ATOM 612 CA SER A 40 9.426 -3.373 -6.362 1.00 71.43 C ATOM 613 C SER A 40 8.943 -4.724 -5.842 1.00 53.01 C ATOM 614 O SER A 40 7.799 -5.114 -6.067 1.00 23.32 O ATOM 615 CB SER A 40 10.050 -3.542 -7.749 1.00 40.23 C ATOM 616 OG SER A 40 10.434 -2.291 -8.291 1.00 32.53 O ATOM 0 H SER A 40 11.319 -2.638 -5.839 1.00 43.43 H new ATOM 0 HA SER A 40 8.568 -2.704 -6.435 1.00 71.43 H new ATOM 0 HB2 SER A 40 10.920 -4.196 -7.683 1.00 40.23 H new ATOM 0 HB3 SER A 40 9.337 -4.027 -8.415 1.00 40.23 H new ATOM 0 HG SER A 40 10.831 -2.426 -9.177 1.00 32.53 H new ATOM 621 N GLU A 41 9.826 -5.432 -5.144 1.00 53.15 N ATOM 622 CA GLU A 41 9.490 -6.739 -4.592 1.00 53.55 C ATOM 623 C GLU A 41 8.212 -6.667 -3.761 1.00 34.14 C ATOM 624 O GLU A 41 7.440 -7.625 -3.705 1.00 53.10 O ATOM 625 CB GLU A 41 10.642 -7.264 -3.731 1.00 5.34 C ATOM 626 CG GLU A 41 11.995 -7.197 -4.418 1.00 63.31 C ATOM 627 CD GLU A 41 13.007 -8.148 -3.808 1.00 22.35 C ATOM 628 OE1 GLU A 41 12.872 -9.371 -4.021 1.00 44.14 O ATOM 629 OE2 GLU A 41 13.931 -7.670 -3.120 1.00 71.10 O ATOM 0 H GLU A 41 10.778 -5.123 -4.948 1.00 53.15 H new ATOM 0 HA GLU A 41 9.324 -7.424 -5.423 1.00 53.55 H new ATOM 0 HB2 GLU A 41 10.685 -6.689 -2.806 1.00 5.34 H new ATOM 0 HB3 GLU A 41 10.435 -8.298 -3.454 1.00 5.34 H new ATOM 0 HG2 GLU A 41 11.873 -7.431 -5.476 1.00 63.31 H new ATOM 0 HG3 GLU A 41 12.378 -6.178 -4.359 1.00 63.31 H new ATOM 634 N PHE A 42 7.995 -5.524 -3.119 1.00 45.54 N ATOM 635 CA PHE A 42 6.811 -5.327 -2.290 1.00 55.14 C ATOM 636 C PHE A 42 5.573 -5.103 -3.154 1.00 60.15 C ATOM 637 O PHE A 42 4.560 -5.786 -2.996 1.00 55.00 O ATOM 638 CB PHE A 42 7.014 -4.135 -1.351 1.00 3.54 C ATOM 639 CG PHE A 42 5.764 -3.725 -0.625 1.00 24.43 C ATOM 640 CD1 PHE A 42 4.891 -2.807 -1.188 1.00 53.30 C ATOM 641 CD2 PHE A 42 5.461 -4.257 0.617 1.00 72.22 C ATOM 642 CE1 PHE A 42 3.740 -2.427 -0.523 1.00 42.13 C ATOM 643 CE2 PHE A 42 4.312 -3.881 1.287 1.00 62.44 C ATOM 644 CZ PHE A 42 3.450 -2.966 0.716 1.00 70.43 C ATOM 0 H PHE A 42 8.623 -4.721 -3.157 1.00 45.54 H new ATOM 0 HA PHE A 42 6.659 -6.228 -1.696 1.00 55.14 H new ATOM 0 HB2 PHE A 42 7.784 -4.385 -0.621 1.00 3.54 H new ATOM 0 HB3 PHE A 42 7.385 -3.287 -1.927 1.00 3.54 H new ATOM 0 HD1 PHE A 42 5.112 -2.384 -2.157 1.00 53.30 H new ATOM 0 HD2 PHE A 42 6.131 -4.975 1.068 1.00 72.22 H new ATOM 0 HE1 PHE A 42 3.068 -1.710 -0.971 1.00 42.13 H new ATOM 0 HE2 PHE A 42 4.089 -4.302 2.256 1.00 62.44 H new ATOM 0 HZ PHE A 42 2.551 -2.672 1.237 1.00 70.43 H new ATOM 653 N THR A 43 5.662 -4.142 -4.069 1.00 43.35 N ATOM 654 CA THR A 43 4.551 -3.827 -4.956 1.00 62.10 C ATOM 655 C THR A 43 4.148 -5.041 -5.786 1.00 54.42 C ATOM 656 O THR A 43 2.965 -5.275 -6.029 1.00 13.13 O ATOM 657 CB THR A 43 4.903 -2.665 -5.904 1.00 2.14 C ATOM 658 OG1 THR A 43 5.967 -1.885 -5.350 1.00 35.43 O ATOM 659 CG2 THR A 43 3.690 -1.778 -6.145 1.00 24.42 C ATOM 0 H THR A 43 6.493 -3.569 -4.214 1.00 43.35 H new ATOM 0 HA THR A 43 3.715 -3.530 -4.323 1.00 62.10 H new ATOM 0 HB THR A 43 5.221 -3.087 -6.857 1.00 2.14 H new ATOM 0 HG1 THR A 43 6.827 -2.300 -5.572 1.00 35.43 H new ATOM 0 HG21 THR A 43 3.962 -0.964 -6.817 1.00 24.42 H new ATOM 0 HG22 THR A 43 2.891 -2.368 -6.594 1.00 24.42 H new ATOM 0 HG23 THR A 43 3.347 -1.365 -5.196 1.00 24.42 H new ATOM 667 N LYS A 44 5.141 -5.812 -6.217 1.00 33.54 N ATOM 668 CA LYS A 44 4.890 -7.004 -7.019 1.00 55.21 C ATOM 669 C LYS A 44 4.337 -8.134 -6.156 1.00 13.51 C ATOM 670 O LYS A 44 3.624 -9.008 -6.647 1.00 41.20 O ATOM 671 CB LYS A 44 6.178 -7.460 -7.709 1.00 53.11 C ATOM 672 CG LYS A 44 6.697 -6.473 -8.740 1.00 71.40 C ATOM 673 CD LYS A 44 5.949 -6.596 -10.056 1.00 24.50 C ATOM 674 CE LYS A 44 6.640 -7.568 -11.001 1.00 32.21 C ATOM 675 NZ LYS A 44 6.233 -8.976 -10.743 1.00 5.33 N ATOM 0 H LYS A 44 6.127 -5.633 -6.024 1.00 33.54 H new ATOM 0 HA LYS A 44 4.148 -6.752 -7.777 1.00 55.21 H new ATOM 0 HB2 LYS A 44 6.947 -7.622 -6.954 1.00 53.11 H new ATOM 0 HB3 LYS A 44 6.000 -8.420 -8.194 1.00 53.11 H new ATOM 0 HG2 LYS A 44 6.595 -5.458 -8.356 1.00 71.40 H new ATOM 0 HG3 LYS A 44 7.760 -6.646 -8.907 1.00 71.40 H new ATOM 0 HD2 LYS A 44 4.930 -6.933 -9.866 1.00 24.50 H new ATOM 0 HD3 LYS A 44 5.878 -5.616 -10.528 1.00 24.50 H new ATOM 0 HE2 LYS A 44 6.402 -7.304 -12.031 1.00 32.21 H new ATOM 0 HE3 LYS A 44 7.720 -7.476 -10.890 1.00 32.21 H new ATOM 0 HZ1 LYS A 44 6.390 -9.545 -11.599 1.00 5.33 H new ATOM 0 HZ2 LYS A 44 6.799 -9.363 -9.961 1.00 5.33 H new ATOM 0 HZ3 LYS A 44 5.225 -9.005 -10.489 1.00 5.33 H new ATOM 685 N GLN A 45 4.669 -8.106 -4.870 1.00 53.44 N ATOM 686 CA GLN A 45 4.203 -9.128 -3.939 1.00 55.32 C ATOM 687 C GLN A 45 2.778 -8.837 -3.479 1.00 55.03 C ATOM 688 O GLN A 45 1.993 -9.754 -3.243 1.00 11.41 O ATOM 689 CB GLN A 45 5.136 -9.208 -2.729 1.00 62.42 C ATOM 690 CG GLN A 45 4.755 -10.296 -1.738 1.00 23.24 C ATOM 691 CD GLN A 45 5.401 -11.629 -2.057 1.00 21.40 C ATOM 692 OE1 GLN A 45 6.457 -11.684 -2.690 1.00 43.44 O ATOM 693 NE2 GLN A 45 4.771 -12.713 -1.622 1.00 45.43 N ATOM 0 H GLN A 45 5.258 -7.388 -4.449 1.00 53.44 H new ATOM 0 HA GLN A 45 4.209 -10.087 -4.458 1.00 55.32 H new ATOM 0 HB2 GLN A 45 6.154 -9.385 -3.077 1.00 62.42 H new ATOM 0 HB3 GLN A 45 5.137 -8.246 -2.217 1.00 62.42 H new ATOM 0 HG2 GLN A 45 5.047 -9.986 -0.735 1.00 23.24 H new ATOM 0 HG3 GLN A 45 3.671 -10.414 -1.733 1.00 23.24 H new ATOM 0 HE21 GLN A 45 3.899 -12.621 -1.101 1.00 45.43 H new ATOM 0 HE22 GLN A 45 5.159 -13.638 -1.808 1.00 45.43 H new ATOM 700 N MET A 46 2.453 -7.554 -3.354 1.00 51.51 N ATOM 701 CA MET A 46 1.122 -7.143 -2.922 1.00 0.41 C ATOM 702 C MET A 46 0.282 -6.688 -4.111 1.00 14.34 C ATOM 703 O MET A 46 -0.839 -6.208 -3.943 1.00 32.35 O ATOM 704 CB MET A 46 1.222 -6.016 -1.892 1.00 4.34 C ATOM 705 CG MET A 46 1.777 -4.721 -2.460 1.00 53.01 C ATOM 706 SD MET A 46 0.804 -3.279 -1.984 1.00 71.30 S ATOM 707 CE MET A 46 -0.113 -2.977 -3.493 1.00 50.13 C ATOM 0 H MET A 46 3.092 -6.782 -3.545 1.00 51.51 H new ATOM 0 HA MET A 46 0.634 -8.003 -2.462 1.00 0.41 H new ATOM 0 HB2 MET A 46 0.232 -5.826 -1.476 1.00 4.34 H new ATOM 0 HB3 MET A 46 1.856 -6.343 -1.068 1.00 4.34 H new ATOM 0 HG2 MET A 46 2.804 -4.590 -2.119 1.00 53.01 H new ATOM 0 HG3 MET A 46 1.809 -4.790 -3.547 1.00 53.01 H new ATOM 0 HE1 MET A 46 -0.668 -2.043 -3.401 1.00 50.13 H new ATOM 0 HE2 MET A 46 0.580 -2.907 -4.332 1.00 50.13 H new ATOM 0 HE3 MET A 46 -0.810 -3.797 -3.666 1.00 50.13 H new ATOM 715 N TYR A 47 0.831 -6.841 -5.311 1.00 74.43 N ATOM 716 CA TYR A 47 0.133 -6.442 -6.528 1.00 11.41 C ATOM 717 C TYR A 47 0.912 -6.870 -7.767 1.00 25.12 C ATOM 718 O TYR A 47 1.848 -6.193 -8.192 1.00 51.20 O ATOM 719 CB TYR A 47 -0.082 -4.928 -6.545 1.00 0.44 C ATOM 720 CG TYR A 47 -1.481 -4.520 -6.947 1.00 12.54 C ATOM 721 CD1 TYR A 47 -2.593 -5.062 -6.314 1.00 11.55 C ATOM 722 CD2 TYR A 47 -1.691 -3.590 -7.959 1.00 2.34 C ATOM 723 CE1 TYR A 47 -3.873 -4.692 -6.678 1.00 34.55 C ATOM 724 CE2 TYR A 47 -2.967 -3.213 -8.329 1.00 3.32 C ATOM 725 CZ TYR A 47 -4.055 -3.767 -7.686 1.00 11.10 C ATOM 726 OH TYR A 47 -5.329 -3.395 -8.051 1.00 22.20 O ATOM 0 H TYR A 47 1.757 -7.238 -5.467 1.00 74.43 H new ATOM 0 HA TYR A 47 -0.837 -6.940 -6.540 1.00 11.41 H new ATOM 0 HB2 TYR A 47 0.134 -4.528 -5.554 1.00 0.44 H new ATOM 0 HB3 TYR A 47 0.631 -4.476 -7.234 1.00 0.44 H new ATOM 0 HD1 TYR A 47 -2.454 -5.785 -5.524 1.00 11.55 H new ATOM 0 HD2 TYR A 47 -0.842 -3.155 -8.464 1.00 2.34 H new ATOM 0 HE1 TYR A 47 -4.727 -5.124 -6.177 1.00 34.55 H new ATOM 0 HE2 TYR A 47 -3.112 -2.489 -9.117 1.00 3.32 H new ATOM 0 HH TYR A 47 -5.361 -3.242 -9.018 1.00 22.20 H new ATOM 735 N ASP A 48 0.517 -8.000 -8.344 1.00 4.12 N ATOM 736 CA ASP A 48 1.176 -8.520 -9.537 1.00 45.23 C ATOM 737 C ASP A 48 0.195 -8.615 -10.702 1.00 32.15 C ATOM 738 O ASP A 48 -0.502 -9.616 -10.861 1.00 53.03 O ATOM 739 CB ASP A 48 1.782 -9.896 -9.252 1.00 33.12 C ATOM 740 CG ASP A 48 2.797 -10.308 -10.299 1.00 24.51 C ATOM 741 OD1 ASP A 48 2.897 -9.617 -11.334 1.00 33.03 O ATOM 742 OD2 ASP A 48 3.492 -11.324 -10.084 1.00 21.25 O ATOM 0 H ASP A 48 -0.256 -8.573 -8.005 1.00 4.12 H new ATOM 0 HA ASP A 48 1.973 -7.830 -9.812 1.00 45.23 H new ATOM 0 HB2 ASP A 48 2.259 -9.884 -8.272 1.00 33.12 H new ATOM 0 HB3 ASP A 48 0.986 -10.639 -9.210 1.00 33.12 H new ATOM 746 N GLY A 49 0.146 -7.563 -11.514 1.00 72.41 N ATOM 747 CA GLY A 49 -0.753 -7.545 -12.653 1.00 24.23 C ATOM 748 C GLY A 49 -2.151 -7.095 -12.281 1.00 4.45 C ATOM 749 O GLY A 49 -3.138 -7.692 -12.710 1.00 5.20 O ATOM 0 H GLY A 49 0.713 -6.723 -11.403 1.00 72.41 H new ATOM 0 HA2 GLY A 49 -0.352 -6.880 -13.418 1.00 24.23 H new ATOM 0 HA3 GLY A 49 -0.800 -8.542 -13.091 1.00 24.23 H new ATOM 753 N ASN A 50 -2.238 -6.038 -11.478 1.00 64.42 N ATOM 754 CA ASN A 50 -3.526 -5.510 -11.047 1.00 60.10 C ATOM 755 C ASN A 50 -4.258 -6.515 -10.163 1.00 14.22 C ATOM 756 O ASN A 50 -5.451 -6.371 -9.898 1.00 31.30 O ATOM 757 CB ASN A 50 -4.389 -5.158 -12.260 1.00 64.40 C ATOM 758 CG ASN A 50 -4.704 -3.676 -12.337 1.00 51.12 C ATOM 759 OD1 ASN A 50 -4.894 -3.018 -11.314 1.00 15.40 O ATOM 760 ND2 ASN A 50 -4.761 -3.145 -13.553 1.00 52.43 N ATOM 0 H ASN A 50 -1.431 -5.531 -11.114 1.00 64.42 H new ATOM 0 HA ASN A 50 -3.343 -4.607 -10.465 1.00 60.10 H new ATOM 0 HB2 ASN A 50 -3.873 -5.465 -13.170 1.00 64.40 H new ATOM 0 HB3 ASN A 50 -5.320 -5.723 -12.216 1.00 64.40 H new ATOM 0 HD21 ASN A 50 -4.969 -2.153 -13.667 1.00 52.43 H new ATOM 0 HD22 ASN A 50 -4.596 -3.729 -14.373 1.00 52.43 H new ATOM 766 N ASN A 51 -3.533 -7.532 -9.708 1.00 10.24 N ATOM 767 CA ASN A 51 -4.114 -8.562 -8.853 1.00 31.43 C ATOM 768 C ASN A 51 -3.041 -9.221 -7.991 1.00 34.13 C ATOM 769 O ASN A 51 -1.884 -9.330 -8.397 1.00 21.00 O ATOM 770 CB ASN A 51 -4.823 -9.618 -9.702 1.00 41.44 C ATOM 771 CG ASN A 51 -5.652 -10.573 -8.863 1.00 35.24 C ATOM 772 OD1 ASN A 51 -5.320 -11.751 -8.735 1.00 1.34 O ATOM 773 ND2 ASN A 51 -6.736 -10.066 -8.289 1.00 73.12 N ATOM 0 H ASN A 51 -2.543 -7.665 -9.917 1.00 10.24 H new ATOM 0 HA ASN A 51 -4.842 -8.087 -8.195 1.00 31.43 H new ATOM 0 HB2 ASN A 51 -5.468 -9.123 -10.429 1.00 41.44 H new ATOM 0 HB3 ASN A 51 -4.082 -10.184 -10.267 1.00 41.44 H new ATOM 0 HD21 ASN A 51 -7.333 -10.660 -7.713 1.00 73.12 H new ATOM 0 HD22 ASN A 51 -6.972 -9.083 -8.423 1.00 73.12 H new ATOM 779 N LEU A 52 -3.434 -9.659 -6.800 1.00 12.35 N ATOM 780 CA LEU A 52 -2.507 -10.308 -5.880 1.00 4.13 C ATOM 781 C LEU A 52 -1.935 -11.582 -6.493 1.00 45.34 C ATOM 782 O LEU A 52 -2.497 -12.136 -7.438 1.00 55.12 O ATOM 783 CB LEU A 52 -3.212 -10.635 -4.561 1.00 75.31 C ATOM 784 CG LEU A 52 -3.883 -9.459 -3.851 1.00 4.12 C ATOM 785 CD1 LEU A 52 -3.169 -8.158 -4.180 1.00 50.12 C ATOM 786 CD2 LEU A 52 -5.354 -9.375 -4.234 1.00 51.14 C ATOM 0 H LEU A 52 -4.388 -9.576 -6.449 1.00 12.35 H new ATOM 0 HA LEU A 52 -1.685 -9.619 -5.685 1.00 4.13 H new ATOM 0 HB2 LEU A 52 -3.968 -11.396 -4.755 1.00 75.31 H new ATOM 0 HB3 LEU A 52 -2.483 -11.076 -3.882 1.00 75.31 H new ATOM 0 HG LEU A 52 -3.816 -9.623 -2.775 1.00 4.12 H new ATOM 0 HD11 LEU A 52 -3.661 -7.333 -3.665 1.00 50.12 H new ATOM 0 HD12 LEU A 52 -2.130 -8.221 -3.855 1.00 50.12 H new ATOM 0 HD13 LEU A 52 -3.203 -7.986 -5.256 1.00 50.12 H new ATOM 0 HD21 LEU A 52 -5.816 -8.532 -3.720 1.00 51.14 H new ATOM 0 HD22 LEU A 52 -5.442 -9.235 -5.311 1.00 51.14 H new ATOM 0 HD23 LEU A 52 -5.858 -10.297 -3.945 1.00 51.14 H new ATOM 797 N PHE A 53 -0.814 -12.044 -5.947 1.00 34.34 N ATOM 798 CA PHE A 53 -0.166 -13.253 -6.439 1.00 71.03 C ATOM 799 C PHE A 53 -0.890 -14.500 -5.940 1.00 44.30 C ATOM 800 O PHE A 53 -1.457 -15.260 -6.727 1.00 51.55 O ATOM 801 CB PHE A 53 1.298 -13.290 -5.996 1.00 35.23 C ATOM 802 CG PHE A 53 1.982 -14.594 -6.292 1.00 73.12 C ATOM 803 CD1 PHE A 53 2.114 -15.041 -7.597 1.00 73.11 C ATOM 804 CD2 PHE A 53 2.493 -15.371 -5.266 1.00 73.23 C ATOM 805 CE1 PHE A 53 2.743 -16.241 -7.872 1.00 52.44 C ATOM 806 CE2 PHE A 53 3.123 -16.571 -5.534 1.00 43.34 C ATOM 807 CZ PHE A 53 3.249 -17.006 -6.839 1.00 63.10 C ATOM 0 H PHE A 53 -0.336 -11.599 -5.164 1.00 34.34 H new ATOM 0 HA PHE A 53 -0.209 -13.240 -7.528 1.00 71.03 H new ATOM 0 HB2 PHE A 53 1.840 -12.484 -6.492 1.00 35.23 H new ATOM 0 HB3 PHE A 53 1.350 -13.097 -4.924 1.00 35.23 H new ATOM 0 HD1 PHE A 53 1.721 -14.446 -8.408 1.00 73.11 H new ATOM 0 HD2 PHE A 53 2.398 -15.035 -4.244 1.00 73.23 H new ATOM 0 HE1 PHE A 53 2.839 -16.580 -8.893 1.00 52.44 H new ATOM 0 HE2 PHE A 53 3.516 -17.168 -4.725 1.00 43.34 H new ATOM 0 HZ PHE A 53 3.742 -17.943 -7.051 1.00 63.10 H new ATOM 816 N LYS A 54 -0.868 -14.705 -4.627 1.00 14.13 N ATOM 817 CA LYS A 54 -1.522 -15.857 -4.020 1.00 23.13 C ATOM 818 C LYS A 54 -2.987 -15.556 -3.719 1.00 35.43 C ATOM 819 O LYS A 54 -3.883 -16.264 -4.176 1.00 63.23 O ATOM 820 CB LYS A 54 -0.799 -16.262 -2.735 1.00 42.22 C ATOM 821 CG LYS A 54 -1.424 -17.456 -2.034 1.00 24.33 C ATOM 822 CD LYS A 54 -1.258 -18.729 -2.848 1.00 33.21 C ATOM 823 CE LYS A 54 -2.500 -19.029 -3.674 1.00 52.31 C ATOM 824 NZ LYS A 54 -2.640 -20.484 -3.957 1.00 62.24 N ATOM 0 H LYS A 54 -0.403 -14.086 -3.962 1.00 14.13 H new ATOM 0 HA LYS A 54 -1.478 -16.683 -4.730 1.00 23.13 H new ATOM 0 HB2 LYS A 54 0.240 -16.493 -2.970 1.00 42.22 H new ATOM 0 HB3 LYS A 54 -0.790 -15.414 -2.051 1.00 42.22 H new ATOM 0 HG2 LYS A 54 -0.964 -17.586 -1.055 1.00 24.33 H new ATOM 0 HG3 LYS A 54 -2.484 -17.266 -1.865 1.00 24.33 H new ATOM 0 HD2 LYS A 54 -0.396 -18.630 -3.508 1.00 33.21 H new ATOM 0 HD3 LYS A 54 -1.054 -19.565 -2.180 1.00 33.21 H new ATOM 0 HE2 LYS A 54 -3.384 -18.676 -3.142 1.00 52.31 H new ATOM 0 HE3 LYS A 54 -2.453 -18.479 -4.614 1.00 52.31 H new ATOM 0 HZ1 LYS A 54 -3.498 -20.647 -4.522 1.00 62.24 H new ATOM 0 HZ2 LYS A 54 -1.809 -20.816 -4.486 1.00 62.24 H new ATOM 0 HZ3 LYS A 54 -2.711 -21.007 -3.061 1.00 62.24 H new ATOM 834 N ASN A 55 -3.222 -14.499 -2.948 1.00 53.31 N ATOM 835 CA ASN A 55 -4.579 -14.104 -2.586 1.00 33.55 C ATOM 836 C ASN A 55 -4.569 -13.164 -1.384 1.00 31.30 C ATOM 837 O ASN A 55 -5.347 -13.332 -0.445 1.00 35.54 O ATOM 838 CB ASN A 55 -5.427 -15.338 -2.276 1.00 40.11 C ATOM 839 CG ASN A 55 -6.413 -15.656 -3.383 1.00 30.51 C ATOM 840 OD1 ASN A 55 -6.469 -16.784 -3.875 1.00 22.25 O ATOM 841 ND2 ASN A 55 -7.196 -14.661 -3.782 1.00 74.52 N ATOM 0 H ASN A 55 -2.491 -13.901 -2.562 1.00 53.31 H new ATOM 0 HA ASN A 55 -5.016 -13.576 -3.434 1.00 33.55 H new ATOM 0 HB2 ASN A 55 -4.772 -16.195 -2.119 1.00 40.11 H new ATOM 0 HB3 ASN A 55 -5.970 -15.177 -1.345 1.00 40.11 H new ATOM 0 HD21 ASN A 55 -7.878 -14.815 -4.524 1.00 74.52 H new ATOM 0 HD22 ASN A 55 -7.115 -13.742 -3.346 1.00 74.52 H new ATOM 847 N VAL A 56 -3.683 -12.173 -1.421 1.00 20.10 N ATOM 848 CA VAL A 56 -3.573 -11.205 -0.337 1.00 40.11 C ATOM 849 C VAL A 56 -4.823 -10.337 -0.246 1.00 31.32 C ATOM 850 O VAL A 56 -5.385 -9.932 -1.264 1.00 23.22 O ATOM 851 CB VAL A 56 -2.342 -10.297 -0.518 1.00 64.10 C ATOM 852 CG1 VAL A 56 -2.028 -9.559 0.774 1.00 1.30 C ATOM 853 CG2 VAL A 56 -1.144 -11.111 -0.982 1.00 35.13 C ATOM 0 H VAL A 56 -3.031 -12.020 -2.191 1.00 20.10 H new ATOM 0 HA VAL A 56 -3.462 -11.774 0.586 1.00 40.11 H new ATOM 0 HB VAL A 56 -2.568 -9.556 -1.285 1.00 64.10 H new ATOM 0 HG11 VAL A 56 -1.155 -8.923 0.627 1.00 1.30 H new ATOM 0 HG12 VAL A 56 -2.882 -8.944 1.058 1.00 1.30 H new ATOM 0 HG13 VAL A 56 -1.821 -10.281 1.564 1.00 1.30 H new ATOM 0 HG21 VAL A 56 -0.283 -10.454 -1.105 1.00 35.13 H new ATOM 0 HG22 VAL A 56 -0.914 -11.875 -0.240 1.00 35.13 H new ATOM 0 HG23 VAL A 56 -1.375 -11.588 -1.934 1.00 35.13 H new ATOM 863 N ILE A 57 -5.253 -10.055 0.979 1.00 71.41 N ATOM 864 CA ILE A 57 -6.436 -9.232 1.202 1.00 44.04 C ATOM 865 C ILE A 57 -6.081 -7.950 1.947 1.00 40.23 C ATOM 866 O ILE A 57 -5.754 -7.980 3.134 1.00 10.21 O ATOM 867 CB ILE A 57 -7.508 -9.997 2.000 1.00 13.45 C ATOM 868 CG1 ILE A 57 -7.938 -11.255 1.244 1.00 41.42 C ATOM 869 CG2 ILE A 57 -8.708 -9.098 2.268 1.00 43.34 C ATOM 870 CD1 ILE A 57 -8.458 -12.353 2.145 1.00 10.24 C ATOM 0 H ILE A 57 -4.801 -10.384 1.832 1.00 71.41 H new ATOM 0 HA ILE A 57 -6.836 -8.979 0.220 1.00 44.04 H new ATOM 0 HB ILE A 57 -7.082 -10.299 2.957 1.00 13.45 H new ATOM 0 HG12 ILE A 57 -8.712 -10.990 0.524 1.00 41.42 H new ATOM 0 HG13 ILE A 57 -7.090 -11.635 0.674 1.00 41.42 H new ATOM 0 HG21 ILE A 57 -9.458 -9.651 2.833 1.00 43.34 H new ATOM 0 HG22 ILE A 57 -8.390 -8.228 2.843 1.00 43.34 H new ATOM 0 HG23 ILE A 57 -9.136 -8.770 1.321 1.00 43.34 H new ATOM 0 HD11 ILE A 57 -8.744 -13.214 1.541 1.00 10.24 H new ATOM 0 HD12 ILE A 57 -7.679 -12.646 2.848 1.00 10.24 H new ATOM 0 HD13 ILE A 57 -9.326 -11.991 2.696 1.00 10.24 H new ATOM 881 N ILE A 58 -6.150 -6.825 1.244 1.00 60.50 N ATOM 882 CA ILE A 58 -5.838 -5.532 1.839 1.00 12.52 C ATOM 883 C ILE A 58 -7.019 -4.574 1.720 1.00 23.02 C ATOM 884 O ILE A 58 -7.656 -4.484 0.670 1.00 34.03 O ATOM 885 CB ILE A 58 -4.604 -4.891 1.180 1.00 74.42 C ATOM 886 CG1 ILE A 58 -4.714 -3.365 1.214 1.00 4.20 C ATOM 887 CG2 ILE A 58 -4.451 -5.384 -0.251 1.00 43.33 C ATOM 888 CD1 ILE A 58 -3.435 -2.657 0.826 1.00 63.52 C ATOM 0 H ILE A 58 -6.419 -6.783 0.261 1.00 60.50 H new ATOM 0 HA ILE A 58 -5.623 -5.713 2.892 1.00 12.52 H new ATOM 0 HB ILE A 58 -3.718 -5.185 1.742 1.00 74.42 H new ATOM 0 HG12 ILE A 58 -5.512 -3.051 0.541 1.00 4.20 H new ATOM 0 HG13 ILE A 58 -5.003 -3.052 2.217 1.00 4.20 H new ATOM 0 HG21 ILE A 58 -3.574 -4.921 -0.703 1.00 43.33 H new ATOM 0 HG22 ILE A 58 -4.331 -6.467 -0.252 1.00 43.33 H new ATOM 0 HG23 ILE A 58 -5.338 -5.117 -0.825 1.00 43.33 H new ATOM 0 HD11 ILE A 58 -3.587 -1.579 0.873 1.00 63.52 H new ATOM 0 HD12 ILE A 58 -2.639 -2.941 1.514 1.00 63.52 H new ATOM 0 HD13 ILE A 58 -3.156 -2.940 -0.189 1.00 63.52 H new ATOM 899 N LEU A 59 -7.305 -3.859 2.803 1.00 23.11 N ATOM 900 CA LEU A 59 -8.409 -2.905 2.821 1.00 32.43 C ATOM 901 C LEU A 59 -7.892 -1.477 2.968 1.00 61.42 C ATOM 902 O LEU A 59 -6.752 -1.258 3.376 1.00 54.53 O ATOM 903 CB LEU A 59 -9.373 -3.232 3.962 1.00 34.24 C ATOM 904 CG LEU A 59 -10.365 -4.365 3.700 1.00 2.45 C ATOM 905 CD1 LEU A 59 -11.223 -4.052 2.483 1.00 41.21 C ATOM 906 CD2 LEU A 59 -9.630 -5.684 3.512 1.00 3.14 C ATOM 0 H LEU A 59 -6.788 -3.922 3.680 1.00 23.11 H new ATOM 0 HA LEU A 59 -8.940 -2.983 1.872 1.00 32.43 H new ATOM 0 HB2 LEU A 59 -8.786 -3.487 4.845 1.00 34.24 H new ATOM 0 HB3 LEU A 59 -9.937 -2.331 4.204 1.00 34.24 H new ATOM 0 HG LEU A 59 -11.020 -4.457 4.567 1.00 2.45 H new ATOM 0 HD11 LEU A 59 -11.923 -4.870 2.312 1.00 41.21 H new ATOM 0 HD12 LEU A 59 -11.777 -3.130 2.656 1.00 41.21 H new ATOM 0 HD13 LEU A 59 -10.584 -3.932 1.608 1.00 41.21 H new ATOM 0 HD21 LEU A 59 -10.352 -6.479 3.327 1.00 3.14 H new ATOM 0 HD22 LEU A 59 -8.951 -5.605 2.663 1.00 3.14 H new ATOM 0 HD23 LEU A 59 -9.060 -5.914 4.412 1.00 3.14 H new ATOM 917 N VAL A 60 -8.739 -0.509 2.633 1.00 2.34 N ATOM 918 CA VAL A 60 -8.370 0.898 2.732 1.00 44.11 C ATOM 919 C VAL A 60 -9.515 1.727 3.302 1.00 54.11 C ATOM 920 O VAL A 60 -10.521 1.959 2.633 1.00 74.14 O ATOM 921 CB VAL A 60 -7.970 1.470 1.359 1.00 23.24 C ATOM 922 CG1 VAL A 60 -7.627 2.948 1.476 1.00 24.42 C ATOM 923 CG2 VAL A 60 -6.804 0.687 0.775 1.00 73.40 C ATOM 0 H VAL A 60 -9.686 -0.674 2.291 1.00 2.34 H new ATOM 0 HA VAL A 60 -7.514 0.955 3.405 1.00 44.11 H new ATOM 0 HB VAL A 60 -8.818 1.371 0.682 1.00 23.24 H new ATOM 0 HG11 VAL A 60 -7.347 3.335 0.496 1.00 24.42 H new ATOM 0 HG12 VAL A 60 -8.494 3.494 1.848 1.00 24.42 H new ATOM 0 HG13 VAL A 60 -6.794 3.075 2.168 1.00 24.42 H new ATOM 0 HG21 VAL A 60 -6.535 1.105 -0.195 1.00 73.40 H new ATOM 0 HG22 VAL A 60 -5.949 0.752 1.448 1.00 73.40 H new ATOM 0 HG23 VAL A 60 -7.092 -0.357 0.653 1.00 73.40 H new ATOM 933 N ASN A 61 -9.353 2.173 4.544 1.00 24.22 N ATOM 934 CA ASN A 61 -10.374 2.979 5.206 1.00 65.24 C ATOM 935 C ASN A 61 -11.666 2.186 5.376 1.00 22.32 C ATOM 936 O ASN A 61 -12.762 2.739 5.291 1.00 74.55 O ATOM 937 CB ASN A 61 -10.645 4.254 4.406 1.00 61.42 C ATOM 938 CG ASN A 61 -11.549 5.219 5.146 1.00 33.11 C ATOM 939 OD1 ASN A 61 -11.244 5.461 6.415 1.00 44.14 O flip ATOM 940 ND2 ASN A 61 -12.511 5.743 4.583 1.00 42.21 N flip ATOM 0 H ASN A 61 -8.526 1.990 5.112 1.00 24.22 H new ATOM 0 HA ASN A 61 -10.003 3.251 6.194 1.00 65.24 H new ATOM 0 HB2 ASN A 61 -9.699 4.746 4.181 1.00 61.42 H new ATOM 0 HB3 ASN A 61 -11.102 3.991 3.452 1.00 61.42 H new ATOM 0 HD21 ASN A 61 -12.709 5.528 3.606 1.00 42.21 H new ATOM 0 HD22 ASN A 61 -13.110 6.392 5.094 1.00 42.21 H new ATOM 946 N GLY A 62 -11.530 0.885 5.616 1.00 52.42 N ATOM 947 CA GLY A 62 -12.694 0.038 5.795 1.00 23.31 C ATOM 948 C GLY A 62 -13.506 -0.108 4.522 1.00 51.23 C ATOM 949 O GLY A 62 -14.734 -0.146 4.564 1.00 32.43 O ATOM 0 H GLY A 62 -10.634 0.403 5.690 1.00 52.42 H new ATOM 0 HA2 GLY A 62 -12.374 -0.948 6.133 1.00 23.31 H new ATOM 0 HA3 GLY A 62 -13.326 0.455 6.580 1.00 23.31 H new ATOM 953 N ASN A 63 -12.816 -0.188 3.389 1.00 23.23 N ATOM 954 CA ASN A 63 -13.481 -0.329 2.099 1.00 74.31 C ATOM 955 C ASN A 63 -12.461 -0.405 0.966 1.00 15.42 C ATOM 956 O ASN A 63 -11.632 0.489 0.805 1.00 74.34 O ATOM 957 CB ASN A 63 -14.435 0.844 1.863 1.00 74.30 C ATOM 958 CG ASN A 63 -15.805 0.391 1.397 1.00 44.33 C ATOM 959 OD1 ASN A 63 -15.937 -0.261 0.361 1.00 54.24 O ATOM 960 ND2 ASN A 63 -16.834 0.734 2.164 1.00 11.01 N ATOM 0 H ASN A 63 -11.798 -0.158 3.338 1.00 23.23 H new ATOM 0 HA ASN A 63 -14.052 -1.257 2.112 1.00 74.31 H new ATOM 0 HB2 ASN A 63 -14.539 1.415 2.785 1.00 74.30 H new ATOM 0 HB3 ASN A 63 -14.005 1.515 1.119 1.00 74.30 H new ATOM 0 HD21 ASN A 63 -17.780 0.456 1.902 1.00 11.01 H new ATOM 0 HD22 ASN A 63 -16.678 1.275 3.014 1.00 11.01 H new ATOM 966 N ASN A 64 -12.531 -1.477 0.186 1.00 21.13 N ATOM 967 CA ASN A 64 -11.614 -1.670 -0.932 1.00 41.14 C ATOM 968 C ASN A 64 -11.739 -0.533 -1.941 1.00 31.25 C ATOM 969 O ASN A 64 -12.842 -0.188 -2.369 1.00 43.34 O ATOM 970 CB ASN A 64 -11.888 -3.010 -1.619 1.00 11.32 C ATOM 971 CG ASN A 64 -13.364 -3.229 -1.891 1.00 52.23 C ATOM 972 OD1 ASN A 64 -13.870 -2.869 -2.953 1.00 21.14 O ATOM 973 ND2 ASN A 64 -14.061 -3.821 -0.927 1.00 20.42 N ATOM 0 H ASN A 64 -13.213 -2.226 0.307 1.00 21.13 H new ATOM 0 HA ASN A 64 -10.597 -1.673 -0.539 1.00 41.14 H new ATOM 0 HB2 ASN A 64 -11.338 -3.052 -2.559 1.00 11.32 H new ATOM 0 HB3 ASN A 64 -11.513 -3.820 -0.993 1.00 11.32 H new ATOM 0 HD21 ASN A 64 -15.058 -3.994 -1.051 1.00 20.42 H new ATOM 0 HD22 ASN A 64 -13.599 -4.102 -0.063 1.00 20.42 H new ATOM 979 N ILE A 65 -10.604 0.044 -2.319 1.00 12.22 N ATOM 980 CA ILE A 65 -10.587 1.140 -3.280 1.00 15.12 C ATOM 981 C ILE A 65 -11.276 0.742 -4.581 1.00 2.20 C ATOM 982 O ILE A 65 -11.880 1.575 -5.256 1.00 32.25 O ATOM 983 CB ILE A 65 -9.148 1.594 -3.591 1.00 21.24 C ATOM 984 CG1 ILE A 65 -8.382 0.477 -4.304 1.00 35.24 C ATOM 985 CG2 ILE A 65 -8.433 2.002 -2.312 1.00 74.00 C ATOM 986 CD1 ILE A 65 -6.949 0.839 -4.627 1.00 22.32 C ATOM 0 H ILE A 65 -9.684 -0.229 -1.974 1.00 12.22 H new ATOM 0 HA ILE A 65 -11.130 1.968 -2.824 1.00 15.12 H new ATOM 0 HB ILE A 65 -9.190 2.460 -4.252 1.00 21.24 H new ATOM 0 HG12 ILE A 65 -8.391 -0.415 -3.678 1.00 35.24 H new ATOM 0 HG13 ILE A 65 -8.902 0.224 -5.228 1.00 35.24 H new ATOM 0 HG21 ILE A 65 -7.418 2.320 -2.548 1.00 74.00 H new ATOM 0 HG22 ILE A 65 -8.971 2.825 -1.841 1.00 74.00 H new ATOM 0 HG23 ILE A 65 -8.397 1.154 -1.629 1.00 74.00 H new ATOM 0 HD11 ILE A 65 -6.467 0.001 -5.131 1.00 22.32 H new ATOM 0 HD12 ILE A 65 -6.932 1.713 -5.278 1.00 22.32 H new ATOM 0 HD13 ILE A 65 -6.414 1.064 -3.704 1.00 22.32 H new ATOM 997 N THR A 66 -11.182 -0.538 -4.926 1.00 20.03 N ATOM 998 CA THR A 66 -11.797 -1.048 -6.145 1.00 61.44 C ATOM 999 C THR A 66 -13.297 -0.778 -6.160 1.00 54.54 C ATOM 1000 O THR A 66 -13.905 -0.660 -7.222 1.00 31.22 O ATOM 1001 CB THR A 66 -11.557 -2.561 -6.305 1.00 51.11 C ATOM 1002 OG1 THR A 66 -11.914 -3.244 -5.098 1.00 15.45 O ATOM 1003 CG2 THR A 66 -10.101 -2.846 -6.641 1.00 63.42 C ATOM 0 H THR A 66 -10.686 -1.241 -4.378 1.00 20.03 H new ATOM 0 HA THR A 66 -11.329 -0.523 -6.978 1.00 61.44 H new ATOM 0 HB THR A 66 -12.180 -2.920 -7.124 1.00 51.11 H new ATOM 0 HG1 THR A 66 -12.647 -2.766 -4.656 1.00 15.45 H new ATOM 0 HG21 THR A 66 -9.956 -3.921 -6.749 1.00 63.42 H new ATOM 0 HG22 THR A 66 -9.839 -2.349 -7.575 1.00 63.42 H new ATOM 0 HG23 THR A 66 -9.463 -2.473 -5.840 1.00 63.42 H new ATOM 1011 N SER A 67 -13.886 -0.681 -4.972 1.00 3.22 N ATOM 1012 CA SER A 67 -15.317 -0.427 -4.848 1.00 25.42 C ATOM 1013 C SER A 67 -15.735 0.761 -5.709 1.00 1.33 C ATOM 1014 O SER A 67 -16.754 0.715 -6.398 1.00 13.50 O ATOM 1015 CB SER A 67 -15.687 -0.168 -3.387 1.00 62.20 C ATOM 1016 OG SER A 67 -17.092 -0.178 -3.207 1.00 54.44 O ATOM 0 H SER A 67 -13.395 -0.774 -4.083 1.00 3.22 H new ATOM 0 HA SER A 67 -15.849 -1.312 -5.198 1.00 25.42 H new ATOM 0 HB2 SER A 67 -15.231 -0.928 -2.753 1.00 62.20 H new ATOM 0 HB3 SER A 67 -15.284 0.794 -3.072 1.00 62.20 H new ATOM 0 HG SER A 67 -17.302 -0.012 -2.264 1.00 54.44 H new ATOM 1021 N MET A 68 -14.940 1.825 -5.664 1.00 62.14 N ATOM 1022 CA MET A 68 -15.226 3.026 -6.439 1.00 61.14 C ATOM 1023 C MET A 68 -14.080 3.340 -7.397 1.00 54.23 C ATOM 1024 O MET A 68 -14.186 3.120 -8.603 1.00 50.41 O ATOM 1025 CB MET A 68 -15.468 4.215 -5.507 1.00 11.03 C ATOM 1026 CG MET A 68 -14.893 4.021 -4.114 1.00 35.01 C ATOM 1027 SD MET A 68 -15.182 5.442 -3.040 1.00 24.13 S ATOM 1028 CE MET A 68 -14.082 6.650 -3.774 1.00 43.05 C ATOM 0 H MET A 68 -14.093 1.880 -5.099 1.00 62.14 H new ATOM 0 HA MET A 68 -16.127 2.844 -7.025 1.00 61.14 H new ATOM 0 HB2 MET A 68 -15.030 5.109 -5.951 1.00 11.03 H new ATOM 0 HB3 MET A 68 -16.541 4.391 -5.427 1.00 11.03 H new ATOM 0 HG2 MET A 68 -15.336 3.133 -3.663 1.00 35.01 H new ATOM 0 HG3 MET A 68 -13.821 3.839 -4.190 1.00 35.01 H new ATOM 0 HE1 MET A 68 -13.956 7.490 -3.090 1.00 43.05 H new ATOM 0 HE2 MET A 68 -13.113 6.190 -3.967 1.00 43.05 H new ATOM 0 HE3 MET A 68 -14.507 7.007 -4.712 1.00 43.05 H new ATOM 1036 N LYS A 69 -12.984 3.857 -6.851 1.00 54.14 N ATOM 1037 CA LYS A 69 -11.817 4.202 -7.655 1.00 12.51 C ATOM 1038 C LYS A 69 -10.570 3.496 -7.133 1.00 32.41 C ATOM 1039 O LYS A 69 -10.292 3.511 -5.936 1.00 41.14 O ATOM 1040 CB LYS A 69 -11.599 5.716 -7.651 1.00 13.03 C ATOM 1041 CG LYS A 69 -12.496 6.463 -8.622 1.00 32.45 C ATOM 1042 CD LYS A 69 -12.057 6.253 -10.062 1.00 52.43 C ATOM 1043 CE LYS A 69 -12.586 7.351 -10.972 1.00 13.21 C ATOM 1044 NZ LYS A 69 -14.073 7.427 -10.943 1.00 24.34 N ATOM 0 H LYS A 69 -12.880 4.046 -5.854 1.00 54.14 H new ATOM 0 HA LYS A 69 -12.000 3.871 -8.677 1.00 12.51 H new ATOM 0 HB2 LYS A 69 -11.771 6.097 -6.644 1.00 13.03 H new ATOM 0 HB3 LYS A 69 -10.558 5.925 -7.897 1.00 13.03 H new ATOM 0 HG2 LYS A 69 -13.525 6.125 -8.502 1.00 32.45 H new ATOM 0 HG3 LYS A 69 -12.481 7.527 -8.388 1.00 32.45 H new ATOM 0 HD2 LYS A 69 -10.968 6.231 -10.112 1.00 52.43 H new ATOM 0 HD3 LYS A 69 -12.412 5.285 -10.414 1.00 52.43 H new ATOM 0 HE2 LYS A 69 -12.167 8.310 -10.666 1.00 13.21 H new ATOM 0 HE3 LYS A 69 -12.252 7.169 -11.993 1.00 13.21 H new ATOM 0 HZ1 LYS A 69 -14.398 8.129 -11.638 1.00 24.34 H new ATOM 0 HZ2 LYS A 69 -14.473 6.496 -11.178 1.00 24.34 H new ATOM 0 HZ3 LYS A 69 -14.388 7.709 -9.993 1.00 24.34 H new ATOM 1054 N GLY A 70 -9.821 2.879 -8.043 1.00 22.11 N ATOM 1055 CA GLY A 70 -8.611 2.178 -7.656 1.00 11.32 C ATOM 1056 C GLY A 70 -7.604 3.088 -6.980 1.00 22.51 C ATOM 1057 O GLY A 70 -7.720 3.381 -5.790 1.00 20.24 O ATOM 0 H GLY A 70 -10.031 2.853 -9.041 1.00 22.11 H new ATOM 0 HA2 GLY A 70 -8.868 1.361 -6.981 1.00 11.32 H new ATOM 0 HA3 GLY A 70 -8.156 1.730 -8.540 1.00 11.32 H new ATOM 1061 N LEU A 71 -6.612 3.536 -7.741 1.00 70.34 N ATOM 1062 CA LEU A 71 -5.578 4.418 -7.210 1.00 51.15 C ATOM 1063 C LEU A 71 -6.102 5.842 -7.060 1.00 51.14 C ATOM 1064 O LEU A 71 -5.509 6.661 -6.357 1.00 73.22 O ATOM 1065 CB LEU A 71 -4.351 4.408 -8.124 1.00 44.23 C ATOM 1066 CG LEU A 71 -3.060 3.866 -7.508 1.00 73.31 C ATOM 1067 CD1 LEU A 71 -3.177 2.372 -7.251 1.00 53.33 C ATOM 1068 CD2 LEU A 71 -1.873 4.163 -8.412 1.00 20.41 C ATOM 0 H LEU A 71 -6.501 3.303 -8.728 1.00 70.34 H new ATOM 0 HA LEU A 71 -5.292 4.049 -6.225 1.00 51.15 H new ATOM 0 HB2 LEU A 71 -4.586 3.814 -9.008 1.00 44.23 H new ATOM 0 HB3 LEU A 71 -4.168 5.427 -8.464 1.00 44.23 H new ATOM 0 HG LEU A 71 -2.898 4.366 -6.553 1.00 73.31 H new ATOM 0 HD11 LEU A 71 -2.249 2.004 -6.813 1.00 53.33 H new ATOM 0 HD12 LEU A 71 -4.002 2.185 -6.564 1.00 53.33 H new ATOM 0 HD13 LEU A 71 -3.364 1.854 -8.192 1.00 53.33 H new ATOM 0 HD21 LEU A 71 -0.963 3.770 -7.958 1.00 20.41 H new ATOM 0 HD22 LEU A 71 -2.028 3.691 -9.382 1.00 20.41 H new ATOM 0 HD23 LEU A 71 -1.777 5.241 -8.544 1.00 20.41 H new ATOM 1079 N ASP A 72 -7.217 6.130 -7.722 1.00 43.22 N ATOM 1080 CA ASP A 72 -7.823 7.455 -7.659 1.00 64.12 C ATOM 1081 C ASP A 72 -8.538 7.663 -6.328 1.00 12.20 C ATOM 1082 O ASP A 72 -8.941 8.778 -5.993 1.00 22.45 O ATOM 1083 CB ASP A 72 -8.806 7.644 -8.815 1.00 21.00 C ATOM 1084 CG ASP A 72 -8.179 8.355 -9.998 1.00 13.21 C ATOM 1085 OD1 ASP A 72 -7.622 9.456 -9.802 1.00 4.42 O ATOM 1086 OD2 ASP A 72 -8.244 7.811 -11.120 1.00 50.04 O ATOM 0 H ASP A 72 -7.720 5.464 -8.308 1.00 43.22 H new ATOM 0 HA ASP A 72 -7.028 8.196 -7.743 1.00 64.12 H new ATOM 0 HB2 ASP A 72 -9.177 6.670 -9.135 1.00 21.00 H new ATOM 0 HB3 ASP A 72 -9.667 8.215 -8.466 1.00 21.00 H new ATOM 1090 N THR A 73 -8.695 6.582 -5.570 1.00 64.05 N ATOM 1091 CA THR A 73 -9.363 6.644 -4.277 1.00 11.14 C ATOM 1092 C THR A 73 -8.629 7.580 -3.323 1.00 63.45 C ATOM 1093 O THR A 73 -7.423 7.445 -3.112 1.00 30.35 O ATOM 1094 CB THR A 73 -9.468 5.250 -3.630 1.00 14.35 C ATOM 1095 OG1 THR A 73 -10.794 4.734 -3.793 1.00 72.42 O ATOM 1096 CG2 THR A 73 -9.121 5.313 -2.150 1.00 3.12 C ATOM 0 H THR A 73 -8.368 5.652 -5.831 1.00 64.05 H new ATOM 0 HA THR A 73 -10.367 7.028 -4.459 1.00 11.14 H new ATOM 0 HB THR A 73 -8.757 4.588 -4.125 1.00 14.35 H new ATOM 0 HG1 THR A 73 -10.912 4.420 -4.714 1.00 72.42 H new ATOM 0 HG21 THR A 73 -9.202 4.317 -1.715 1.00 3.12 H new ATOM 0 HG22 THR A 73 -8.101 5.679 -2.031 1.00 3.12 H new ATOM 0 HG23 THR A 73 -9.811 5.988 -1.643 1.00 3.12 H new ATOM 1104 N GLU A 74 -9.362 8.528 -2.749 1.00 13.35 N ATOM 1105 CA GLU A 74 -8.778 9.486 -1.817 1.00 32.14 C ATOM 1106 C GLU A 74 -8.642 8.877 -0.425 1.00 51.22 C ATOM 1107 O GLU A 74 -9.262 7.859 -0.118 1.00 25.30 O ATOM 1108 CB GLU A 74 -9.635 10.753 -1.751 1.00 71.15 C ATOM 1109 CG GLU A 74 -10.927 10.574 -0.972 1.00 42.12 C ATOM 1110 CD GLU A 74 -11.946 11.654 -1.275 1.00 33.01 C ATOM 1111 OE1 GLU A 74 -12.429 11.708 -2.425 1.00 33.15 O ATOM 1112 OE2 GLU A 74 -12.260 12.446 -0.362 1.00 72.51 O ATOM 0 H GLU A 74 -10.361 8.654 -2.913 1.00 13.35 H new ATOM 0 HA GLU A 74 -7.783 9.747 -2.179 1.00 32.14 H new ATOM 0 HB2 GLU A 74 -9.052 11.552 -1.293 1.00 71.15 H new ATOM 0 HB3 GLU A 74 -9.874 11.073 -2.765 1.00 71.15 H new ATOM 0 HG2 GLU A 74 -11.356 9.600 -1.206 1.00 42.12 H new ATOM 0 HG3 GLU A 74 -10.706 10.577 0.095 1.00 42.12 H new ATOM 1117 N ILE A 75 -7.826 9.508 0.413 1.00 32.14 N ATOM 1118 CA ILE A 75 -7.608 9.029 1.772 1.00 11.15 C ATOM 1119 C ILE A 75 -7.413 10.191 2.740 1.00 71.53 C ATOM 1120 O ILE A 75 -6.697 11.147 2.442 1.00 72.52 O ATOM 1121 CB ILE A 75 -6.385 8.097 1.852 1.00 34.03 C ATOM 1122 CG1 ILE A 75 -5.219 8.681 1.052 1.00 71.22 C ATOM 1123 CG2 ILE A 75 -6.742 6.710 1.341 1.00 44.33 C ATOM 1124 CD1 ILE A 75 -3.958 7.848 1.125 1.00 22.14 C ATOM 0 H ILE A 75 -7.305 10.352 0.174 1.00 32.14 H new ATOM 0 HA ILE A 75 -8.499 8.469 2.055 1.00 11.15 H new ATOM 0 HB ILE A 75 -6.079 8.011 2.895 1.00 34.03 H new ATOM 0 HG12 ILE A 75 -5.519 8.781 0.009 1.00 71.22 H new ATOM 0 HG13 ILE A 75 -5.004 9.684 1.419 1.00 71.22 H new ATOM 0 HG21 ILE A 75 -5.867 6.063 1.404 1.00 44.33 H new ATOM 0 HG22 ILE A 75 -7.546 6.294 1.949 1.00 44.33 H new ATOM 0 HG23 ILE A 75 -7.069 6.778 0.304 1.00 44.33 H new ATOM 0 HD11 ILE A 75 -3.174 8.322 0.535 1.00 22.14 H new ATOM 0 HD12 ILE A 75 -3.634 7.769 2.163 1.00 22.14 H new ATOM 0 HD13 ILE A 75 -4.157 6.852 0.730 1.00 22.14 H new ATOM 1135 N LYS A 76 -8.051 10.102 3.901 1.00 3.52 N ATOM 1136 CA LYS A 76 -7.946 11.143 4.915 1.00 13.13 C ATOM 1137 C LYS A 76 -7.090 10.676 6.088 1.00 52.42 C ATOM 1138 O LYS A 76 -6.667 9.520 6.139 1.00 34.12 O ATOM 1139 CB LYS A 76 -9.337 11.543 5.413 1.00 44.21 C ATOM 1140 CG LYS A 76 -10.253 10.359 5.673 1.00 41.20 C ATOM 1141 CD LYS A 76 -11.618 10.808 6.165 1.00 3.34 C ATOM 1142 CE LYS A 76 -11.518 11.549 7.488 1.00 54.41 C ATOM 1143 NZ LYS A 76 -12.732 11.351 8.329 1.00 75.23 N ATOM 0 H LYS A 76 -8.648 9.318 4.164 1.00 3.52 H new ATOM 0 HA LYS A 76 -7.467 12.010 4.460 1.00 13.13 H new ATOM 0 HB2 LYS A 76 -9.233 12.120 6.332 1.00 44.21 H new ATOM 0 HB3 LYS A 76 -9.803 12.198 4.677 1.00 44.21 H new ATOM 0 HG2 LYS A 76 -10.368 9.779 4.757 1.00 41.20 H new ATOM 0 HG3 LYS A 76 -9.797 9.701 6.412 1.00 41.20 H new ATOM 0 HD2 LYS A 76 -12.080 11.454 5.419 1.00 3.34 H new ATOM 0 HD3 LYS A 76 -12.267 9.940 6.281 1.00 3.34 H new ATOM 0 HE2 LYS A 76 -10.639 11.203 8.032 1.00 54.41 H new ATOM 0 HE3 LYS A 76 -11.377 12.613 7.298 1.00 54.41 H new ATOM 0 HZ1 LYS A 76 -13.260 12.245 8.392 1.00 75.23 H new ATOM 0 HZ2 LYS A 76 -13.336 10.621 7.900 1.00 75.23 H new ATOM 0 HZ3 LYS A 76 -12.448 11.049 9.283 1.00 75.23 H new ATOM 1153 N ASP A 77 -6.838 11.581 7.028 1.00 45.23 N ATOM 1154 CA ASP A 77 -6.034 11.260 8.202 1.00 22.43 C ATOM 1155 C ASP A 77 -6.606 10.052 8.938 1.00 55.43 C ATOM 1156 O ASP A 77 -5.881 9.332 9.626 1.00 3.14 O ATOM 1157 CB ASP A 77 -5.967 12.462 9.144 1.00 55.12 C ATOM 1158 CG ASP A 77 -7.278 12.707 9.866 1.00 43.44 C ATOM 1159 OD1 ASP A 77 -8.311 12.864 9.182 1.00 53.35 O ATOM 1160 OD2 ASP A 77 -7.271 12.740 11.115 1.00 73.31 O ATOM 0 H ASP A 77 -7.179 12.542 7.000 1.00 45.23 H new ATOM 0 HA ASP A 77 -5.026 11.015 7.866 1.00 22.43 H new ATOM 0 HB2 ASP A 77 -5.177 12.301 9.877 1.00 55.12 H new ATOM 0 HB3 ASP A 77 -5.698 13.351 8.574 1.00 55.12 H new ATOM 1164 N ASP A 78 -7.908 9.837 8.791 1.00 21.13 N ATOM 1165 CA ASP A 78 -8.578 8.717 9.442 1.00 70.02 C ATOM 1166 C ASP A 78 -8.346 7.423 8.668 1.00 3.43 C ATOM 1167 O ASP A 78 -8.408 6.331 9.234 1.00 11.22 O ATOM 1168 CB ASP A 78 -10.077 8.992 9.564 1.00 53.42 C ATOM 1169 CG ASP A 78 -10.377 10.167 10.475 1.00 20.24 C ATOM 1170 OD1 ASP A 78 -9.422 10.854 10.891 1.00 14.03 O ATOM 1171 OD2 ASP A 78 -11.569 10.399 10.771 1.00 50.53 O ATOM 0 H ASP A 78 -8.522 10.424 8.226 1.00 21.13 H new ATOM 0 HA ASP A 78 -8.156 8.603 10.441 1.00 70.02 H new ATOM 0 HB2 ASP A 78 -10.489 9.189 8.574 1.00 53.42 H new ATOM 0 HB3 ASP A 78 -10.577 8.102 9.947 1.00 53.42 H new ATOM 1175 N ASP A 79 -8.082 7.553 7.373 1.00 3.50 N ATOM 1176 CA ASP A 79 -7.843 6.394 6.521 1.00 44.54 C ATOM 1177 C ASP A 79 -6.837 5.444 7.167 1.00 4.15 C ATOM 1178 O ASP A 79 -5.936 5.873 7.888 1.00 3.42 O ATOM 1179 CB ASP A 79 -7.335 6.838 5.149 1.00 55.32 C ATOM 1180 CG ASP A 79 -5.821 6.833 5.062 1.00 50.51 C ATOM 1181 OD1 ASP A 79 -5.174 7.423 5.952 1.00 31.23 O ATOM 1182 OD2 ASP A 79 -5.284 6.239 4.103 1.00 1.32 O ATOM 0 H ASP A 79 -8.028 8.450 6.890 1.00 3.50 H new ATOM 0 HA ASP A 79 -8.788 5.865 6.395 1.00 44.54 H new ATOM 0 HB2 ASP A 79 -7.742 6.178 4.383 1.00 55.32 H new ATOM 0 HB3 ASP A 79 -7.705 7.841 4.935 1.00 55.32 H new ATOM 1186 N LYS A 80 -6.998 4.152 6.903 1.00 71.33 N ATOM 1187 CA LYS A 80 -6.105 3.140 7.456 1.00 14.12 C ATOM 1188 C LYS A 80 -5.968 1.956 6.505 1.00 70.40 C ATOM 1189 O LYS A 80 -6.965 1.383 6.065 1.00 3.12 O ATOM 1190 CB LYS A 80 -6.623 2.661 8.813 1.00 43.52 C ATOM 1191 CG LYS A 80 -7.967 1.956 8.736 1.00 61.12 C ATOM 1192 CD LYS A 80 -8.625 1.860 10.103 1.00 12.13 C ATOM 1193 CE LYS A 80 -9.079 3.224 10.600 1.00 24.32 C ATOM 1194 NZ LYS A 80 -10.187 3.113 11.589 1.00 61.20 N ATOM 0 H LYS A 80 -7.739 3.780 6.309 1.00 71.33 H new ATOM 0 HA LYS A 80 -5.122 3.592 7.588 1.00 14.12 H new ATOM 0 HB2 LYS A 80 -5.891 1.984 9.253 1.00 43.52 H new ATOM 0 HB3 LYS A 80 -6.709 3.517 9.483 1.00 43.52 H new ATOM 0 HG2 LYS A 80 -8.623 2.495 8.052 1.00 61.12 H new ATOM 0 HG3 LYS A 80 -7.831 0.955 8.325 1.00 61.12 H new ATOM 0 HD2 LYS A 80 -9.481 1.188 10.049 1.00 12.13 H new ATOM 0 HD3 LYS A 80 -7.924 1.427 10.816 1.00 12.13 H new ATOM 0 HE2 LYS A 80 -8.236 3.744 11.056 1.00 24.32 H new ATOM 0 HE3 LYS A 80 -9.406 3.828 9.754 1.00 24.32 H new ATOM 0 HZ1 LYS A 80 -10.468 4.064 11.904 1.00 61.20 H new ATOM 0 HZ2 LYS A 80 -11.001 2.640 11.147 1.00 61.20 H new ATOM 0 HZ3 LYS A 80 -9.867 2.558 12.408 1.00 61.20 H new ATOM 1204 N ILE A 81 -4.729 1.594 6.192 1.00 74.41 N ATOM 1205 CA ILE A 81 -4.463 0.477 5.295 1.00 75.33 C ATOM 1206 C ILE A 81 -4.000 -0.752 6.070 1.00 23.13 C ATOM 1207 O ILE A 81 -3.234 -0.642 7.027 1.00 44.33 O ATOM 1208 CB ILE A 81 -3.395 0.839 4.245 1.00 11.15 C ATOM 1209 CG1 ILE A 81 -3.856 2.036 3.410 1.00 71.13 C ATOM 1210 CG2 ILE A 81 -3.105 -0.357 3.351 1.00 73.33 C ATOM 1211 CD1 ILE A 81 -3.349 3.364 3.927 1.00 60.44 C ATOM 0 H ILE A 81 -3.893 2.058 6.547 1.00 74.41 H new ATOM 0 HA ILE A 81 -5.400 0.252 4.786 1.00 75.33 H new ATOM 0 HB ILE A 81 -2.475 1.113 4.762 1.00 11.15 H new ATOM 0 HG12 ILE A 81 -3.519 1.903 2.382 1.00 71.13 H new ATOM 0 HG13 ILE A 81 -4.946 2.056 3.388 1.00 71.13 H new ATOM 0 HG21 ILE A 81 -2.349 -0.086 2.614 1.00 73.33 H new ATOM 0 HG22 ILE A 81 -2.740 -1.185 3.958 1.00 73.33 H new ATOM 0 HG23 ILE A 81 -4.019 -0.658 2.839 1.00 73.33 H new ATOM 0 HD11 ILE A 81 -3.715 4.167 3.287 1.00 60.44 H new ATOM 0 HD12 ILE A 81 -3.708 3.519 4.945 1.00 60.44 H new ATOM 0 HD13 ILE A 81 -2.259 3.364 3.922 1.00 60.44 H new ATOM 1222 N ASP A 82 -4.468 -1.921 5.648 1.00 2.21 N ATOM 1223 CA ASP A 82 -4.101 -3.173 6.301 1.00 34.22 C ATOM 1224 C ASP A 82 -3.764 -4.245 5.270 1.00 23.21 C ATOM 1225 O ASP A 82 -4.277 -4.227 4.149 1.00 3.54 O ATOM 1226 CB ASP A 82 -5.237 -3.654 7.204 1.00 24.44 C ATOM 1227 CG ASP A 82 -6.035 -4.783 6.579 1.00 73.14 C ATOM 1228 OD1 ASP A 82 -5.543 -5.931 6.587 1.00 33.44 O ATOM 1229 OD2 ASP A 82 -7.149 -4.518 6.082 1.00 14.21 O ATOM 0 H ASP A 82 -5.102 -2.028 4.857 1.00 2.21 H new ATOM 0 HA ASP A 82 -3.216 -2.991 6.911 1.00 34.22 H new ATOM 0 HB2 ASP A 82 -4.824 -3.988 8.156 1.00 24.44 H new ATOM 0 HB3 ASP A 82 -5.903 -2.819 7.421 1.00 24.44 H new ATOM 1233 N LEU A 83 -2.899 -5.176 5.654 1.00 63.52 N ATOM 1234 CA LEU A 83 -2.493 -6.257 4.762 1.00 61.22 C ATOM 1235 C LEU A 83 -2.694 -7.616 5.425 1.00 12.15 C ATOM 1236 O LEU A 83 -2.187 -7.866 6.519 1.00 70.34 O ATOM 1237 CB LEU A 83 -1.028 -6.087 4.356 1.00 50.22 C ATOM 1238 CG LEU A 83 -0.773 -5.294 3.074 1.00 51.30 C ATOM 1239 CD1 LEU A 83 -1.293 -6.054 1.865 1.00 30.42 C ATOM 1240 CD2 LEU A 83 -1.420 -3.919 3.161 1.00 2.23 C ATOM 0 H LEU A 83 -2.465 -5.205 6.577 1.00 63.52 H new ATOM 0 HA LEU A 83 -3.119 -6.213 3.870 1.00 61.22 H new ATOM 0 HB2 LEU A 83 -0.500 -5.596 5.174 1.00 50.22 H new ATOM 0 HB3 LEU A 83 -0.587 -7.077 4.240 1.00 50.22 H new ATOM 0 HG LEU A 83 0.303 -5.161 2.959 1.00 51.30 H new ATOM 0 HD11 LEU A 83 -1.103 -5.475 0.962 1.00 30.42 H new ATOM 0 HD12 LEU A 83 -0.784 -7.015 1.793 1.00 30.42 H new ATOM 0 HD13 LEU A 83 -2.365 -6.218 1.972 1.00 30.42 H new ATOM 0 HD21 LEU A 83 -1.229 -3.368 2.240 1.00 2.23 H new ATOM 0 HD22 LEU A 83 -2.495 -4.031 3.300 1.00 2.23 H new ATOM 0 HD23 LEU A 83 -1.000 -3.372 4.005 1.00 2.23 H new ATOM 1251 N PHE A 84 -3.437 -8.491 4.756 1.00 64.15 N ATOM 1252 CA PHE A 84 -3.704 -9.826 5.280 1.00 52.22 C ATOM 1253 C PHE A 84 -3.233 -10.899 4.302 1.00 55.54 C ATOM 1254 O PHE A 84 -3.317 -10.744 3.084 1.00 2.22 O ATOM 1255 CB PHE A 84 -5.199 -9.996 5.561 1.00 52.04 C ATOM 1256 CG PHE A 84 -5.663 -9.275 6.793 1.00 54.41 C ATOM 1257 CD1 PHE A 84 -4.939 -9.351 7.971 1.00 41.45 C ATOM 1258 CD2 PHE A 84 -6.825 -8.519 6.773 1.00 4.15 C ATOM 1259 CE1 PHE A 84 -5.363 -8.688 9.107 1.00 13.23 C ATOM 1260 CE2 PHE A 84 -7.254 -7.853 7.906 1.00 23.33 C ATOM 1261 CZ PHE A 84 -6.524 -7.938 9.074 1.00 61.23 C ATOM 0 H PHE A 84 -3.865 -8.300 3.850 1.00 64.15 H new ATOM 0 HA PHE A 84 -3.150 -9.941 6.212 1.00 52.22 H new ATOM 0 HB2 PHE A 84 -5.765 -9.634 4.703 1.00 52.04 H new ATOM 0 HB3 PHE A 84 -5.422 -11.058 5.665 1.00 52.04 H new ATOM 0 HD1 PHE A 84 -4.032 -9.936 8.002 1.00 41.45 H new ATOM 0 HD2 PHE A 84 -7.401 -8.450 5.862 1.00 4.15 H new ATOM 0 HE1 PHE A 84 -4.788 -8.756 10.019 1.00 13.23 H new ATOM 0 HE2 PHE A 84 -8.160 -7.266 7.877 1.00 23.33 H new ATOM 0 HZ PHE A 84 -6.859 -7.420 9.960 1.00 61.23 H new ATOM 1270 N PRO A 85 -2.723 -12.012 4.848 1.00 45.44 N ATOM 1271 CA PRO A 85 -2.228 -13.134 4.044 1.00 31.51 C ATOM 1272 C PRO A 85 -3.353 -13.879 3.334 1.00 21.14 C ATOM 1273 O PRO A 85 -4.527 -13.759 3.684 1.00 45.14 O ATOM 1274 CB PRO A 85 -1.555 -14.041 5.076 1.00 74.51 C ATOM 1275 CG PRO A 85 -2.237 -13.724 6.362 1.00 72.11 C ATOM 1276 CD PRO A 85 -2.592 -12.265 6.293 1.00 53.01 C ATOM 0 HA PRO A 85 -1.561 -12.802 3.249 1.00 31.51 H new ATOM 0 HB2 PRO A 85 -1.672 -15.093 4.815 1.00 74.51 H new ATOM 0 HB3 PRO A 85 -0.485 -13.845 5.137 1.00 74.51 H new ATOM 0 HG2 PRO A 85 -3.129 -14.337 6.492 1.00 72.11 H new ATOM 0 HG3 PRO A 85 -1.584 -13.927 7.211 1.00 72.11 H new ATOM 0 HD2 PRO A 85 -3.520 -12.052 6.824 1.00 53.01 H new ATOM 0 HD3 PRO A 85 -1.818 -11.642 6.741 1.00 53.01 H new ATOM 1281 N PRO A 86 -2.989 -14.666 2.310 1.00 52.44 N ATOM 1282 CA PRO A 86 -3.954 -15.446 1.530 1.00 43.15 C ATOM 1283 C PRO A 86 -4.550 -16.598 2.332 1.00 23.05 C ATOM 1284 O PRO A 86 -3.911 -17.136 3.236 1.00 11.54 O ATOM 1285 CB PRO A 86 -3.117 -15.983 0.365 1.00 53.52 C ATOM 1286 CG PRO A 86 -1.721 -16.013 0.885 1.00 43.14 C ATOM 1287 CD PRO A 86 -1.608 -14.855 1.837 1.00 71.24 C ATOM 0 HA PRO A 86 -4.808 -14.844 1.218 1.00 43.15 H new ATOM 0 HB2 PRO A 86 -3.449 -16.977 0.064 1.00 53.52 H new ATOM 0 HB3 PRO A 86 -3.199 -15.340 -0.511 1.00 53.52 H new ATOM 0 HG2 PRO A 86 -1.513 -16.956 1.391 1.00 43.14 H new ATOM 0 HG3 PRO A 86 -1.000 -15.922 0.073 1.00 43.14 H new ATOM 0 HD2 PRO A 86 -0.928 -15.076 2.660 1.00 71.24 H new ATOM 0 HD3 PRO A 86 -1.228 -13.962 1.340 1.00 71.24 H new ATOM 1292 N VAL A 87 -5.780 -16.974 1.994 1.00 33.31 N ATOM 1293 CA VAL A 87 -6.463 -18.063 2.680 1.00 12.52 C ATOM 1294 C VAL A 87 -5.616 -19.330 2.681 1.00 30.35 C ATOM 1295 O VAL A 87 -5.715 -20.155 3.588 1.00 53.33 O ATOM 1296 CB VAL A 87 -7.826 -18.370 2.031 1.00 31.22 C ATOM 1297 CG1 VAL A 87 -8.843 -17.298 2.392 1.00 4.42 C ATOM 1298 CG2 VAL A 87 -7.680 -18.491 0.522 1.00 12.14 C ATOM 0 H VAL A 87 -6.323 -16.539 1.248 1.00 33.31 H new ATOM 0 HA VAL A 87 -6.624 -17.737 3.707 1.00 12.52 H new ATOM 0 HB VAL A 87 -8.187 -19.323 2.417 1.00 31.22 H new ATOM 0 HG11 VAL A 87 -9.800 -17.532 1.925 1.00 4.42 H new ATOM 0 HG12 VAL A 87 -8.967 -17.264 3.474 1.00 4.42 H new ATOM 0 HG13 VAL A 87 -8.492 -16.329 2.036 1.00 4.42 H new ATOM 0 HG21 VAL A 87 -8.652 -18.708 0.079 1.00 12.14 H new ATOM 0 HG22 VAL A 87 -7.298 -17.554 0.117 1.00 12.14 H new ATOM 0 HG23 VAL A 87 -6.986 -19.298 0.287 1.00 12.14 H new ATOM 1308 N ALA A 88 -4.783 -19.478 1.656 1.00 73.11 N ATOM 1309 CA ALA A 88 -3.915 -20.643 1.539 1.00 22.12 C ATOM 1310 C ALA A 88 -2.613 -20.437 2.306 1.00 24.32 C ATOM 1311 O ALA A 88 -2.318 -21.165 3.252 1.00 64.25 O ATOM 1312 CB ALA A 88 -3.626 -20.941 0.075 1.00 30.42 C ATOM 0 H ALA A 88 -4.691 -18.805 0.895 1.00 73.11 H new ATOM 0 HA ALA A 88 -4.433 -21.496 1.977 1.00 22.12 H new ATOM 0 HB1 ALA A 88 -2.977 -21.813 0.003 1.00 30.42 H new ATOM 0 HB2 ALA A 88 -4.562 -21.141 -0.447 1.00 30.42 H new ATOM 0 HB3 ALA A 88 -3.132 -20.083 -0.380 1.00 30.42 H new