USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 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 61 GLN : amide:sc= -2.07 K(o=-10,f=-17!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -8.17! C(o=-10!,f=-17!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 145:sc= 0.848 (180deg=-0.679) USER MOD Set 2.2: A 58 THR OG1 : rot 4:sc= -1.09! USER MOD Set 3.1: A 18 LYS NZ :NH3+ -139:sc= 0.284! (180deg=-2.84!) USER MOD Set 3.2: A 33 TYR OH : rot -166:sc= 1.83 USER MOD Set 4.1: A 1 MET N :NH3+ 132:sc= 2.69 (180deg=-0.398) USER MOD Set 4.2: A 32 GLN : amide:sc= -3.62 K(o=-0.93,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 3 THR OG1 : rot 155:sc= 0.884 USER MOD Single : A 9 SER OG : rot 9:sc= 2.16 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.491! (180deg=-3.97!) USER MOD Single : A 25 SER OG : rot 95:sc= 0.872 USER MOD Single : A 26 ASN : amide:sc= 0.475 X(o=0.47,f=0) USER MOD Single : A 34 GLN : amide:sc=-0.00884 X(o=-0.0088,f=0) USER MOD Single : A 35 TYR OH : rot 15:sc= -1.54 USER MOD Single : A 44 THR OG1 : rot 165:sc= 1 USER MOD Single : A 49 GLN : amide:sc= -2.51! C(o=-2.5!,f=-6.9!) USER MOD Single : A 50 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.33) USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= 0.641 (180deg=-1.87!) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.501 (180deg=-2.97!) USER MOD Single : A 66 GLN : amide:sc=-0.00146 X(o=-0.0015,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 72 TYR OH : rot 15:sc= 0.987 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -2.32! (180deg=-6.64!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.99 F(o=-1.6,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.416 -5.112 6.124 1.00 2.34 N ATOM 2 CA MET A 1 -7.707 -4.022 5.392 1.00 1.56 C ATOM 3 C MET A 1 -6.291 -4.509 5.057 1.00 1.46 C ATOM 4 O MET A 1 -5.352 -4.155 5.741 1.00 1.56 O ATOM 5 CB MET A 1 -7.625 -2.769 6.266 1.00 1.79 C ATOM 6 CG MET A 1 -7.107 -1.592 5.436 1.00 2.65 C ATOM 7 SD MET A 1 -8.094 -1.121 3.996 1.00 2.74 S ATOM 8 CE MET A 1 -9.083 0.171 4.787 1.00 1.47 C ATOM 0 H1 MET A 1 -8.874 -4.720 6.972 1.00 2.34 H new ATOM 0 H2 MET A 1 -9.137 -5.534 5.505 1.00 2.34 H new ATOM 0 H3 MET A 1 -7.732 -5.843 6.406 1.00 2.34 H new ATOM 0 HA MET A 1 -8.249 -3.774 4.479 1.00 1.56 H new ATOM 0 HB2 MET A 1 -8.608 -2.534 6.674 1.00 1.79 H new ATOM 0 HB3 MET A 1 -6.963 -2.948 7.113 1.00 1.79 H new ATOM 0 HG2 MET A 1 -7.023 -0.724 6.090 1.00 2.65 H new ATOM 0 HG3 MET A 1 -6.100 -1.832 5.095 1.00 2.65 H new ATOM 0 HE1 MET A 1 -9.771 0.600 4.058 1.00 1.47 H new ATOM 0 HE2 MET A 1 -9.651 -0.259 5.612 1.00 1.47 H new ATOM 0 HE3 MET A 1 -8.424 0.952 5.168 1.00 1.47 H new ATOM 18 N GLN A 2 -6.163 -5.295 4.018 1.00 1.44 N ATOM 19 CA GLN A 2 -4.822 -5.831 3.651 1.00 1.43 C ATOM 20 C GLN A 2 -4.200 -4.965 2.554 1.00 1.30 C ATOM 21 O GLN A 2 -4.491 -5.126 1.387 1.00 1.91 O ATOM 22 CB GLN A 2 -5.008 -7.269 3.151 1.00 1.56 C ATOM 23 CG GLN A 2 -5.830 -8.070 4.174 1.00 1.75 C ATOM 24 CD GLN A 2 -6.239 -9.405 3.557 1.00 2.79 C ATOM 25 OE1 GLN A 2 -5.568 -10.401 3.702 1.00 3.69 O ATOM 26 NE2 GLN A 2 -7.319 -9.465 2.843 1.00 3.56 N ATOM 0 H GLN A 2 -6.929 -5.587 3.411 1.00 1.44 H new ATOM 0 HA GLN A 2 -4.156 -5.818 4.514 1.00 1.43 H new ATOM 0 HB2 GLN A 2 -5.514 -7.266 2.185 1.00 1.56 H new ATOM 0 HB3 GLN A 2 -4.037 -7.741 3.001 1.00 1.56 H new ATOM 0 HG2 GLN A 2 -5.244 -8.238 5.077 1.00 1.75 H new ATOM 0 HG3 GLN A 2 -6.715 -7.506 4.469 1.00 1.75 H new ATOM 0 HE21 GLN A 2 -7.892 -8.631 2.714 1.00 3.56 H new ATOM 0 HE22 GLN A 2 -7.596 -10.346 2.410 1.00 3.56 H new ATOM 35 N THR A 3 -3.359 -4.061 2.961 1.00 0.70 N ATOM 36 CA THR A 3 -2.714 -3.163 1.970 1.00 0.70 C ATOM 37 C THR A 3 -1.500 -3.861 1.346 1.00 0.78 C ATOM 38 O THR A 3 -0.538 -4.159 2.018 1.00 1.08 O ATOM 39 CB THR A 3 -2.307 -1.873 2.702 1.00 0.75 C ATOM 40 OG1 THR A 3 -3.536 -1.169 2.868 1.00 0.62 O ATOM 41 CG2 THR A 3 -1.430 -0.946 1.845 1.00 1.16 C ATOM 0 H THR A 3 -3.091 -3.905 3.933 1.00 0.70 H new ATOM 0 HA THR A 3 -3.400 -2.919 1.158 1.00 0.70 H new ATOM 0 HB THR A 3 -1.758 -2.128 3.608 1.00 0.75 H new ATOM 0 HG1 THR A 3 -3.464 -0.561 3.634 1.00 0.62 H new ATOM 0 HG21 THR A 3 -1.176 -0.054 2.417 1.00 1.16 H new ATOM 0 HG22 THR A 3 -0.516 -1.468 1.563 1.00 1.16 H new ATOM 0 HG23 THR A 3 -1.975 -0.658 0.946 1.00 1.16 H new ATOM 49 N VAL A 4 -1.586 -4.134 0.072 1.00 0.64 N ATOM 50 CA VAL A 4 -0.461 -4.810 -0.651 1.00 0.69 C ATOM 51 C VAL A 4 0.241 -3.766 -1.517 1.00 0.61 C ATOM 52 O VAL A 4 -0.419 -2.918 -2.095 1.00 0.63 O ATOM 53 CB VAL A 4 -1.021 -5.926 -1.554 1.00 0.81 C ATOM 54 CG1 VAL A 4 0.144 -6.692 -2.198 1.00 0.92 C ATOM 55 CG2 VAL A 4 -1.878 -6.900 -0.732 1.00 1.00 C ATOM 0 H VAL A 4 -2.396 -3.916 -0.509 1.00 0.64 H new ATOM 0 HA VAL A 4 0.236 -5.247 0.063 1.00 0.69 H new ATOM 0 HB VAL A 4 -1.643 -5.475 -2.328 1.00 0.81 H new ATOM 0 HG11 VAL A 4 -0.249 -7.482 -2.837 1.00 0.92 H new ATOM 0 HG12 VAL A 4 0.744 -6.006 -2.796 1.00 0.92 H new ATOM 0 HG13 VAL A 4 0.765 -7.132 -1.418 1.00 0.92 H new ATOM 0 HG21 VAL A 4 -2.266 -7.682 -1.384 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.268 -7.350 0.051 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -2.709 -6.360 -0.279 1.00 1.00 H new ATOM 65 N ILE A 5 1.549 -3.843 -1.558 1.00 0.57 N ATOM 66 CA ILE A 5 2.338 -2.868 -2.377 1.00 0.52 C ATOM 67 C ILE A 5 3.156 -3.605 -3.446 1.00 0.60 C ATOM 68 O ILE A 5 4.169 -4.208 -3.137 1.00 0.96 O ATOM 69 CB ILE A 5 3.297 -2.088 -1.459 1.00 0.54 C ATOM 70 CG1 ILE A 5 2.527 -1.587 -0.222 1.00 0.56 C ATOM 71 CG2 ILE A 5 3.895 -0.906 -2.245 1.00 0.54 C ATOM 72 CD1 ILE A 5 3.460 -0.786 0.677 1.00 2.32 C ATOM 0 H ILE A 5 2.105 -4.538 -1.060 1.00 0.57 H new ATOM 0 HA ILE A 5 1.647 -2.182 -2.867 1.00 0.52 H new ATOM 0 HB ILE A 5 4.108 -2.735 -1.124 1.00 0.54 H new ATOM 0 HG12 ILE A 5 1.686 -0.968 -0.532 1.00 0.56 H new ATOM 0 HG13 ILE A 5 2.114 -2.433 0.328 1.00 0.56 H new ATOM 0 HG21 ILE A 5 4.576 -0.348 -1.602 1.00 0.54 H new ATOM 0 HG22 ILE A 5 4.441 -1.283 -3.110 1.00 0.54 H new ATOM 0 HG23 ILE A 5 3.093 -0.249 -2.580 1.00 0.54 H new ATOM 0 HD11 ILE A 5 2.911 -0.434 1.550 1.00 2.32 H new ATOM 0 HD12 ILE A 5 4.287 -1.419 0.999 1.00 2.32 H new ATOM 0 HD13 ILE A 5 3.851 0.069 0.126 1.00 2.32 H new ATOM 84 N PHE A 6 2.716 -3.523 -4.672 1.00 0.39 N ATOM 85 CA PHE A 6 3.440 -4.207 -5.777 1.00 0.45 C ATOM 86 C PHE A 6 4.561 -3.296 -6.248 1.00 0.51 C ATOM 87 O PHE A 6 4.332 -2.410 -7.051 1.00 0.64 O ATOM 88 CB PHE A 6 2.492 -4.456 -6.959 1.00 0.48 C ATOM 89 CG PHE A 6 1.413 -5.470 -6.578 1.00 0.55 C ATOM 90 CD1 PHE A 6 0.399 -5.122 -5.705 1.00 0.85 C ATOM 91 CD2 PHE A 6 1.434 -6.745 -7.115 1.00 0.68 C ATOM 92 CE1 PHE A 6 -0.579 -6.033 -5.375 1.00 1.01 C ATOM 93 CE2 PHE A 6 0.456 -7.653 -6.782 1.00 0.79 C ATOM 94 CZ PHE A 6 -0.550 -7.298 -5.915 1.00 0.88 C ATOM 0 H PHE A 6 1.882 -3.009 -4.955 1.00 0.39 H new ATOM 0 HA PHE A 6 3.829 -5.160 -5.419 1.00 0.45 H new ATOM 0 HB2 PHE A 6 2.027 -3.518 -7.263 1.00 0.48 H new ATOM 0 HB3 PHE A 6 3.058 -4.823 -7.815 1.00 0.48 H new ATOM 0 HD1 PHE A 6 0.374 -4.130 -5.279 1.00 0.85 H new ATOM 0 HD2 PHE A 6 2.221 -7.028 -7.798 1.00 0.68 H new ATOM 0 HE1 PHE A 6 -1.369 -5.755 -4.693 1.00 1.01 H new ATOM 0 HE2 PHE A 6 0.478 -8.647 -7.203 1.00 0.79 H new ATOM 0 HZ PHE A 6 -1.318 -8.012 -5.658 1.00 0.88 H new ATOM 104 N GLY A 7 5.720 -3.501 -5.700 1.00 0.59 N ATOM 105 CA GLY A 7 6.881 -2.667 -6.096 1.00 0.70 C ATOM 106 C GLY A 7 7.838 -3.480 -6.960 1.00 1.10 C ATOM 107 O GLY A 7 7.479 -4.518 -7.490 1.00 1.39 O ATOM 0 H GLY A 7 5.914 -4.211 -4.994 1.00 0.59 H new ATOM 0 HA2 GLY A 7 6.538 -1.790 -6.645 1.00 0.70 H new ATOM 0 HA3 GLY A 7 7.399 -2.305 -5.208 1.00 0.70 H new ATOM 111 N ARG A 8 9.041 -3.009 -7.099 1.00 1.29 N ATOM 112 CA ARG A 8 10.002 -3.765 -7.955 1.00 1.92 C ATOM 113 C ARG A 8 11.434 -3.759 -7.361 1.00 2.41 C ATOM 114 O ARG A 8 12.406 -3.470 -8.039 1.00 3.71 O ATOM 115 CB ARG A 8 9.957 -3.105 -9.344 1.00 2.39 C ATOM 116 CG ARG A 8 10.698 -3.948 -10.394 1.00 2.59 C ATOM 117 CD ARG A 8 11.551 -3.018 -11.260 1.00 3.23 C ATOM 118 NE ARG A 8 12.648 -2.500 -10.392 1.00 3.48 N ATOM 119 CZ ARG A 8 12.695 -1.256 -10.062 1.00 4.70 C ATOM 120 NH1 ARG A 8 13.082 -0.390 -10.944 1.00 5.94 N ATOM 121 NH2 ARG A 8 12.372 -0.946 -8.850 1.00 5.20 N ATOM 0 H ARG A 8 9.399 -2.155 -6.671 1.00 1.29 H new ATOM 0 HA ARG A 8 9.721 -4.817 -8.015 1.00 1.92 H new ATOM 0 HB2 ARG A 8 8.920 -2.971 -9.650 1.00 2.39 H new ATOM 0 HB3 ARG A 8 10.405 -2.113 -9.291 1.00 2.39 H new ATOM 0 HG2 ARG A 8 11.328 -4.692 -9.905 1.00 2.59 H new ATOM 0 HG3 ARG A 8 9.985 -4.492 -11.013 1.00 2.59 H new ATOM 0 HD2 ARG A 8 11.958 -3.554 -12.117 1.00 3.23 H new ATOM 0 HD3 ARG A 8 10.950 -2.198 -11.653 1.00 3.23 H new ATOM 0 HE ARG A 8 13.369 -3.138 -10.056 1.00 3.48 H new ATOM 0 HH11 ARG A 8 13.343 -0.698 -11.881 1.00 5.94 H new ATOM 0 HH12 ARG A 8 13.126 0.600 -10.702 1.00 5.94 H new ATOM 0 HH21 ARG A 8 12.093 -1.676 -8.194 1.00 5.20 H new ATOM 0 HH22 ARG A 8 12.396 0.028 -8.549 1.00 5.20 H new ATOM 135 N SER A 9 11.525 -4.030 -6.090 1.00 2.07 N ATOM 136 CA SER A 9 12.856 -4.085 -5.371 1.00 2.54 C ATOM 137 C SER A 9 13.532 -2.717 -5.214 1.00 2.46 C ATOM 138 O SER A 9 13.595 -2.174 -4.126 1.00 2.97 O ATOM 139 CB SER A 9 13.854 -5.008 -6.114 1.00 3.57 C ATOM 140 OG SER A 9 13.153 -6.222 -6.333 1.00 3.79 O ATOM 0 H SER A 9 10.720 -4.222 -5.494 1.00 2.07 H new ATOM 0 HA SER A 9 12.617 -4.471 -4.380 1.00 2.54 H new ATOM 0 HB2 SER A 9 14.173 -4.563 -7.056 1.00 3.57 H new ATOM 0 HB3 SER A 9 14.752 -5.175 -5.520 1.00 3.57 H new ATOM 0 HG SER A 9 12.210 -6.103 -6.094 1.00 3.79 H new ATOM 146 N GLY A 10 14.009 -2.175 -6.308 1.00 3.18 N ATOM 147 CA GLY A 10 14.730 -0.861 -6.240 1.00 3.29 C ATOM 148 C GLY A 10 13.920 0.286 -6.831 1.00 3.05 C ATOM 149 O GLY A 10 14.219 0.785 -7.901 1.00 3.77 O ATOM 0 H GLY A 10 13.932 -2.581 -7.241 1.00 3.18 H new ATOM 0 HA2 GLY A 10 14.967 -0.635 -5.200 1.00 3.29 H new ATOM 0 HA3 GLY A 10 15.678 -0.943 -6.772 1.00 3.29 H new ATOM 153 N CYS A 11 12.847 0.607 -6.184 1.00 2.35 N ATOM 154 CA CYS A 11 12.004 1.737 -6.654 1.00 2.40 C ATOM 155 C CYS A 11 11.647 2.578 -5.430 1.00 2.17 C ATOM 156 O CYS A 11 10.972 2.091 -4.537 1.00 2.14 O ATOM 157 CB CYS A 11 10.748 1.171 -7.308 1.00 2.30 C ATOM 158 SG CYS A 11 10.281 -0.496 -6.811 1.00 1.71 S ATOM 0 H CYS A 11 12.511 0.135 -5.344 1.00 2.35 H new ATOM 0 HA CYS A 11 12.525 2.354 -7.386 1.00 2.40 H new ATOM 0 HB2 CYS A 11 9.916 1.840 -7.090 1.00 2.30 H new ATOM 0 HB3 CYS A 11 10.890 1.180 -8.389 1.00 2.30 H new ATOM 163 N PRO A 12 12.139 3.804 -5.363 1.00 2.37 N ATOM 164 CA PRO A 12 11.923 4.644 -4.167 1.00 2.24 C ATOM 165 C PRO A 12 10.457 4.559 -3.758 1.00 2.01 C ATOM 166 O PRO A 12 10.139 4.250 -2.638 1.00 2.08 O ATOM 167 CB PRO A 12 12.333 6.062 -4.595 1.00 2.80 C ATOM 168 CG PRO A 12 12.600 6.008 -6.118 1.00 3.50 C ATOM 169 CD PRO A 12 12.810 4.525 -6.473 1.00 3.03 C ATOM 0 HA PRO A 12 12.503 4.328 -3.300 1.00 2.24 H new ATOM 0 HB2 PRO A 12 11.544 6.779 -4.366 1.00 2.80 H new ATOM 0 HB3 PRO A 12 13.224 6.386 -4.057 1.00 2.80 H new ATOM 0 HG2 PRO A 12 11.760 6.425 -6.674 1.00 3.50 H new ATOM 0 HG3 PRO A 12 13.479 6.598 -6.379 1.00 3.50 H new ATOM 0 HD2 PRO A 12 12.368 4.277 -7.438 1.00 3.03 H new ATOM 0 HD3 PRO A 12 13.869 4.273 -6.533 1.00 3.03 H new ATOM 177 N TYR A 13 9.605 4.778 -4.715 1.00 2.14 N ATOM 178 CA TYR A 13 8.140 4.720 -4.441 1.00 2.17 C ATOM 179 C TYR A 13 7.733 3.402 -3.761 1.00 1.79 C ATOM 180 O TYR A 13 6.861 3.406 -2.922 1.00 1.94 O ATOM 181 CB TYR A 13 7.382 4.886 -5.762 1.00 2.59 C ATOM 182 CG TYR A 13 7.175 6.373 -6.075 1.00 1.92 C ATOM 183 CD1 TYR A 13 8.200 7.292 -5.942 1.00 1.92 C ATOM 184 CD2 TYR A 13 5.933 6.816 -6.485 1.00 2.32 C ATOM 185 CE1 TYR A 13 7.980 8.627 -6.210 1.00 2.10 C ATOM 186 CE2 TYR A 13 5.718 8.148 -6.756 1.00 2.33 C ATOM 187 CZ TYR A 13 6.736 9.063 -6.619 1.00 2.11 C ATOM 188 OH TYR A 13 6.514 10.390 -6.900 1.00 2.76 O ATOM 0 H TYR A 13 9.857 4.996 -5.679 1.00 2.14 H new ATOM 0 HA TYR A 13 7.887 5.527 -3.754 1.00 2.17 H new ATOM 0 HB2 TYR A 13 7.938 4.412 -6.570 1.00 2.59 H new ATOM 0 HB3 TYR A 13 6.417 4.383 -5.701 1.00 2.59 H new ATOM 0 HD1 TYR A 13 9.179 6.962 -5.626 1.00 1.92 H new ATOM 0 HD2 TYR A 13 5.123 6.110 -6.594 1.00 2.32 H new ATOM 0 HE1 TYR A 13 8.787 9.336 -6.099 1.00 2.10 H new ATOM 0 HE2 TYR A 13 4.742 8.478 -7.079 1.00 2.33 H new ATOM 0 HH TYR A 13 5.581 10.515 -7.174 1.00 2.76 H new ATOM 198 N CYS A 14 8.358 2.316 -4.122 1.00 1.46 N ATOM 199 CA CYS A 14 7.984 1.017 -3.491 1.00 1.25 C ATOM 200 C CYS A 14 8.356 1.045 -2.006 1.00 0.98 C ATOM 201 O CYS A 14 7.526 0.815 -1.133 1.00 1.15 O ATOM 202 CB CYS A 14 8.735 -0.115 -4.206 1.00 1.07 C ATOM 203 SG CYS A 14 8.453 -0.284 -5.987 1.00 2.22 S ATOM 0 H CYS A 14 9.103 2.269 -4.818 1.00 1.46 H new ATOM 0 HA CYS A 14 6.910 0.851 -3.580 1.00 1.25 H new ATOM 0 HB2 CYS A 14 9.803 0.030 -4.043 1.00 1.07 H new ATOM 0 HB3 CYS A 14 8.465 -1.057 -3.728 1.00 1.07 H new ATOM 208 N VAL A 15 9.593 1.366 -1.759 1.00 0.73 N ATOM 209 CA VAL A 15 10.068 1.418 -0.344 1.00 0.66 C ATOM 210 C VAL A 15 9.287 2.489 0.438 1.00 0.76 C ATOM 211 O VAL A 15 8.836 2.258 1.537 1.00 0.95 O ATOM 212 CB VAL A 15 11.567 1.728 -0.339 1.00 0.78 C ATOM 213 CG1 VAL A 15 12.098 1.728 1.106 1.00 1.05 C ATOM 214 CG2 VAL A 15 12.279 0.631 -1.143 1.00 0.91 C ATOM 0 H VAL A 15 10.293 1.593 -2.466 1.00 0.73 H new ATOM 0 HA VAL A 15 9.897 0.457 0.141 1.00 0.66 H new ATOM 0 HB VAL A 15 11.749 2.708 -0.779 1.00 0.78 H new ATOM 0 HG11 VAL A 15 13.165 1.949 1.101 1.00 1.05 H new ATOM 0 HG12 VAL A 15 11.573 2.486 1.687 1.00 1.05 H new ATOM 0 HG13 VAL A 15 11.933 0.748 1.554 1.00 1.05 H new ATOM 0 HG21 VAL A 15 13.351 0.827 -1.156 1.00 0.91 H new ATOM 0 HG22 VAL A 15 12.093 -0.338 -0.680 1.00 0.91 H new ATOM 0 HG23 VAL A 15 11.899 0.624 -2.165 1.00 0.91 H new ATOM 224 N ARG A 16 9.137 3.641 -0.167 1.00 0.73 N ATOM 225 CA ARG A 16 8.402 4.763 0.480 1.00 0.90 C ATOM 226 C ARG A 16 6.946 4.363 0.756 1.00 0.94 C ATOM 227 O ARG A 16 6.415 4.617 1.823 1.00 1.49 O ATOM 228 CB ARG A 16 8.469 5.962 -0.474 1.00 1.02 C ATOM 229 CG ARG A 16 7.539 7.078 0.001 1.00 1.72 C ATOM 230 CD ARG A 16 8.068 7.720 1.296 1.00 1.99 C ATOM 231 NE ARG A 16 6.918 7.916 2.232 1.00 2.71 N ATOM 232 CZ ARG A 16 6.945 7.364 3.401 1.00 3.12 C ATOM 233 NH1 ARG A 16 7.776 7.813 4.288 1.00 3.75 N ATOM 234 NH2 ARG A 16 6.151 6.374 3.617 1.00 3.83 N ATOM 0 H ARG A 16 9.500 3.851 -1.097 1.00 0.73 H new ATOM 0 HA ARG A 16 8.852 5.017 1.440 1.00 0.90 H new ATOM 0 HB2 ARG A 16 9.492 6.333 -0.530 1.00 1.02 H new ATOM 0 HB3 ARG A 16 8.188 5.650 -1.480 1.00 1.02 H new ATOM 0 HG2 ARG A 16 7.449 7.837 -0.776 1.00 1.72 H new ATOM 0 HG3 ARG A 16 6.540 6.677 0.171 1.00 1.72 H new ATOM 0 HD2 ARG A 16 8.824 7.082 1.753 1.00 1.99 H new ATOM 0 HD3 ARG A 16 8.546 8.675 1.078 1.00 1.99 H new ATOM 0 HE ARG A 16 6.117 8.482 1.950 1.00 2.71 H new ATOM 0 HH11 ARG A 16 8.396 8.590 4.059 1.00 3.75 H new ATOM 0 HH12 ARG A 16 7.811 7.389 5.215 1.00 3.75 H new ATOM 0 HH21 ARG A 16 5.528 6.049 2.878 1.00 3.83 H new ATOM 0 HH22 ARG A 16 6.145 5.914 4.527 1.00 3.83 H new ATOM 248 N ALA A 17 6.294 3.796 -0.222 1.00 0.69 N ATOM 249 CA ALA A 17 4.890 3.365 0.024 1.00 0.73 C ATOM 250 C ALA A 17 4.919 2.395 1.207 1.00 0.68 C ATOM 251 O ALA A 17 4.145 2.514 2.146 1.00 0.81 O ATOM 252 CB ALA A 17 4.339 2.685 -1.228 1.00 0.77 C ATOM 0 H ALA A 17 6.661 3.616 -1.157 1.00 0.69 H new ATOM 0 HA ALA A 17 4.244 4.213 0.251 1.00 0.73 H new ATOM 0 HB1 ALA A 17 3.311 2.369 -1.048 1.00 0.77 H new ATOM 0 HB2 ALA A 17 4.363 3.385 -2.063 1.00 0.77 H new ATOM 0 HB3 ALA A 17 4.949 1.814 -1.468 1.00 0.77 H new ATOM 258 N LYS A 18 5.820 1.447 1.153 1.00 0.55 N ATOM 259 CA LYS A 18 5.914 0.496 2.284 1.00 0.57 C ATOM 260 C LYS A 18 6.156 1.266 3.589 1.00 0.62 C ATOM 261 O LYS A 18 5.626 0.905 4.624 1.00 0.77 O ATOM 262 CB LYS A 18 7.046 -0.478 1.982 1.00 0.61 C ATOM 263 CG LYS A 18 7.355 -1.308 3.221 1.00 0.86 C ATOM 264 CD LYS A 18 8.470 -0.607 3.998 1.00 1.14 C ATOM 265 CE LYS A 18 8.651 -1.307 5.341 1.00 1.50 C ATOM 266 NZ LYS A 18 7.462 -1.042 6.203 1.00 2.07 N ATOM 0 H LYS A 18 6.479 1.297 0.389 1.00 0.55 H new ATOM 0 HA LYS A 18 4.987 -0.063 2.408 1.00 0.57 H new ATOM 0 HB2 LYS A 18 6.766 -1.131 1.156 1.00 0.61 H new ATOM 0 HB3 LYS A 18 7.935 0.069 1.668 1.00 0.61 H new ATOM 0 HG2 LYS A 18 6.465 -1.410 3.842 1.00 0.86 H new ATOM 0 HG3 LYS A 18 7.663 -2.314 2.938 1.00 0.86 H new ATOM 0 HD2 LYS A 18 9.400 -0.634 3.430 1.00 1.14 H new ATOM 0 HD3 LYS A 18 8.221 0.443 4.151 1.00 1.14 H new ATOM 0 HE2 LYS A 18 8.773 -2.380 5.191 1.00 1.50 H new ATOM 0 HE3 LYS A 18 9.556 -0.949 5.831 1.00 1.50 H new ATOM 0 HZ1 LYS A 18 7.774 -0.861 7.179 1.00 2.07 H new ATOM 0 HZ2 LYS A 18 6.951 -0.211 5.843 1.00 2.07 H new ATOM 0 HZ3 LYS A 18 6.832 -1.869 6.189 1.00 2.07 H new ATOM 280 N ASP A 19 7.032 2.227 3.546 1.00 0.64 N ATOM 281 CA ASP A 19 7.301 3.051 4.760 1.00 0.79 C ATOM 282 C ASP A 19 5.956 3.566 5.282 1.00 0.80 C ATOM 283 O ASP A 19 5.626 3.393 6.431 1.00 0.89 O ATOM 284 CB ASP A 19 8.242 4.208 4.356 1.00 0.89 C ATOM 285 CG ASP A 19 8.396 5.258 5.465 1.00 2.06 C ATOM 286 OD1 ASP A 19 7.363 5.745 5.904 1.00 3.32 O ATOM 287 OD2 ASP A 19 9.533 5.591 5.740 1.00 2.98 O ATOM 0 H ASP A 19 7.576 2.480 2.721 1.00 0.64 H new ATOM 0 HA ASP A 19 7.785 2.478 5.551 1.00 0.79 H new ATOM 0 HB2 ASP A 19 9.223 3.803 4.105 1.00 0.89 H new ATOM 0 HB3 ASP A 19 7.856 4.688 3.457 1.00 0.89 H new ATOM 292 N LEU A 20 5.184 4.160 4.405 1.00 0.76 N ATOM 293 CA LEU A 20 3.856 4.692 4.851 1.00 0.85 C ATOM 294 C LEU A 20 3.025 3.572 5.478 1.00 0.86 C ATOM 295 O LEU A 20 2.506 3.730 6.565 1.00 0.89 O ATOM 296 CB LEU A 20 3.084 5.308 3.665 1.00 0.86 C ATOM 297 CG LEU A 20 1.679 5.779 4.107 1.00 1.01 C ATOM 298 CD1 LEU A 20 1.787 6.713 5.327 1.00 1.24 C ATOM 299 CD2 LEU A 20 1.004 6.541 2.947 1.00 1.05 C ATOM 0 H LEU A 20 5.408 4.298 3.420 1.00 0.76 H new ATOM 0 HA LEU A 20 4.034 5.470 5.593 1.00 0.85 H new ATOM 0 HB2 LEU A 20 3.644 6.151 3.260 1.00 0.86 H new ATOM 0 HB3 LEU A 20 2.991 4.573 2.865 1.00 0.86 H new ATOM 0 HG LEU A 20 1.085 4.906 4.376 1.00 1.01 H new ATOM 0 HD11 LEU A 20 0.790 7.037 5.627 1.00 1.24 H new ATOM 0 HD12 LEU A 20 2.259 6.180 6.152 1.00 1.24 H new ATOM 0 HD13 LEU A 20 2.388 7.584 5.066 1.00 1.24 H new ATOM 0 HD21 LEU A 20 0.013 6.873 3.258 1.00 1.05 H new ATOM 0 HD22 LEU A 20 1.610 7.407 2.679 1.00 1.05 H new ATOM 0 HD23 LEU A 20 0.911 5.882 2.084 1.00 1.05 H new ATOM 311 N ALA A 21 2.879 2.475 4.777 1.00 0.81 N ATOM 312 CA ALA A 21 2.081 1.349 5.358 1.00 0.86 C ATOM 313 C ALA A 21 2.501 1.107 6.817 1.00 0.89 C ATOM 314 O ALA A 21 1.663 1.044 7.705 1.00 0.88 O ATOM 315 CB ALA A 21 2.296 0.077 4.536 1.00 1.02 C ATOM 0 H ALA A 21 3.268 2.310 3.848 1.00 0.81 H new ATOM 0 HA ALA A 21 1.024 1.614 5.332 1.00 0.86 H new ATOM 0 HB1 ALA A 21 1.712 -0.737 4.966 1.00 1.02 H new ATOM 0 HB2 ALA A 21 1.977 0.250 3.508 1.00 1.02 H new ATOM 0 HB3 ALA A 21 3.353 -0.189 4.548 1.00 1.02 H new ATOM 321 N GLU A 22 3.791 0.954 7.019 1.00 0.99 N ATOM 322 CA GLU A 22 4.330 0.729 8.392 1.00 1.11 C ATOM 323 C GLU A 22 3.670 1.686 9.399 1.00 1.00 C ATOM 324 O GLU A 22 3.221 1.296 10.470 1.00 1.08 O ATOM 325 CB GLU A 22 5.843 0.999 8.340 1.00 1.33 C ATOM 326 CG GLU A 22 6.572 0.280 9.481 1.00 1.59 C ATOM 327 CD GLU A 22 6.734 -1.204 9.158 1.00 1.68 C ATOM 328 OE1 GLU A 22 5.766 -1.905 9.355 1.00 3.04 O ATOM 329 OE2 GLU A 22 7.804 -1.543 8.683 1.00 2.24 O ATOM 0 H GLU A 22 4.495 0.976 6.282 1.00 0.99 H new ATOM 0 HA GLU A 22 4.122 -0.291 8.714 1.00 1.11 H new ATOM 0 HB2 GLU A 22 6.242 0.665 7.382 1.00 1.33 H new ATOM 0 HB3 GLU A 22 6.027 2.071 8.406 1.00 1.33 H new ATOM 0 HG2 GLU A 22 7.551 0.733 9.638 1.00 1.59 H new ATOM 0 HG3 GLU A 22 6.013 0.398 10.409 1.00 1.59 H new ATOM 336 N LYS A 23 3.617 2.937 9.029 1.00 0.94 N ATOM 337 CA LYS A 23 3.010 3.926 9.962 1.00 1.01 C ATOM 338 C LYS A 23 1.478 3.816 9.995 1.00 0.84 C ATOM 339 O LYS A 23 0.911 3.861 11.073 1.00 1.12 O ATOM 340 CB LYS A 23 3.442 5.340 9.555 1.00 1.27 C ATOM 341 CG LYS A 23 3.218 6.308 10.730 1.00 1.62 C ATOM 342 CD LYS A 23 1.793 6.875 10.692 1.00 2.91 C ATOM 343 CE LYS A 23 1.492 7.581 12.017 1.00 3.98 C ATOM 344 NZ LYS A 23 1.326 6.584 13.126 1.00 4.64 N ATOM 0 H LYS A 23 3.959 3.310 8.143 1.00 0.94 H new ATOM 0 HA LYS A 23 3.366 3.710 10.969 1.00 1.01 H new ATOM 0 HB2 LYS A 23 4.493 5.341 9.266 1.00 1.27 H new ATOM 0 HB3 LYS A 23 2.872 5.669 8.686 1.00 1.27 H new ATOM 0 HG2 LYS A 23 3.385 5.789 11.674 1.00 1.62 H new ATOM 0 HG3 LYS A 23 3.941 7.122 10.682 1.00 1.62 H new ATOM 0 HD2 LYS A 23 1.690 7.575 9.863 1.00 2.91 H new ATOM 0 HD3 LYS A 23 1.075 6.073 10.523 1.00 2.91 H new ATOM 0 HE2 LYS A 23 2.301 8.270 12.259 1.00 3.98 H new ATOM 0 HE3 LYS A 23 0.585 8.177 11.919 1.00 3.98 H new ATOM 0 HZ1 LYS A 23 0.386 6.696 13.556 1.00 4.64 H new ATOM 0 HZ2 LYS A 23 1.419 5.621 12.744 1.00 4.64 H new ATOM 0 HZ3 LYS A 23 2.058 6.742 13.848 1.00 4.64 H new ATOM 358 N LEU A 24 0.831 3.724 8.848 1.00 0.63 N ATOM 359 CA LEU A 24 -0.675 3.610 8.854 1.00 0.73 C ATOM 360 C LEU A 24 -1.124 2.524 9.820 1.00 0.81 C ATOM 361 O LEU A 24 -2.064 2.689 10.581 1.00 1.08 O ATOM 362 CB LEU A 24 -1.203 3.263 7.457 1.00 0.72 C ATOM 363 CG LEU A 24 -2.017 4.451 6.959 1.00 1.02 C ATOM 364 CD1 LEU A 24 -2.406 4.227 5.493 1.00 0.97 C ATOM 365 CD2 LEU A 24 -3.304 4.587 7.800 1.00 1.66 C ATOM 0 H LEU A 24 1.268 3.723 7.926 1.00 0.63 H new ATOM 0 HA LEU A 24 -1.074 4.575 9.167 1.00 0.73 H new ATOM 0 HB2 LEU A 24 -0.377 3.054 6.777 1.00 0.72 H new ATOM 0 HB3 LEU A 24 -1.820 2.365 7.494 1.00 0.72 H new ATOM 0 HG LEU A 24 -1.418 5.357 7.050 1.00 1.02 H new ATOM 0 HD11 LEU A 24 -2.988 5.077 5.137 1.00 0.97 H new ATOM 0 HD12 LEU A 24 -1.504 4.126 4.889 1.00 0.97 H new ATOM 0 HD13 LEU A 24 -3.002 3.318 5.410 1.00 0.97 H new ATOM 0 HD21 LEU A 24 -3.884 5.437 7.442 1.00 1.66 H new ATOM 0 HD22 LEU A 24 -3.897 3.677 7.707 1.00 1.66 H new ATOM 0 HD23 LEU A 24 -3.040 4.742 8.846 1.00 1.66 H new ATOM 377 N SER A 25 -0.480 1.409 9.673 1.00 0.69 N ATOM 378 CA SER A 25 -0.752 0.230 10.555 1.00 0.79 C ATOM 379 C SER A 25 -0.889 0.695 12.003 1.00 1.25 C ATOM 380 O SER A 25 -1.645 0.135 12.771 1.00 1.57 O ATOM 381 CB SER A 25 0.411 -0.759 10.447 1.00 0.91 C ATOM 382 OG SER A 25 0.547 -0.991 9.049 1.00 1.27 O ATOM 0 H SER A 25 0.240 1.253 8.967 1.00 0.69 H new ATOM 0 HA SER A 25 -1.677 -0.254 10.242 1.00 0.79 H new ATOM 0 HB2 SER A 25 1.325 -0.346 10.872 1.00 0.91 H new ATOM 0 HB3 SER A 25 0.199 -1.683 10.985 1.00 0.91 H new ATOM 0 HG SER A 25 1.233 -0.395 8.684 1.00 1.27 H new ATOM 388 N ASN A 26 -0.149 1.727 12.322 1.00 1.37 N ATOM 389 CA ASN A 26 -0.172 2.296 13.695 1.00 1.86 C ATOM 390 C ASN A 26 -0.859 3.672 13.679 1.00 2.01 C ATOM 391 O ASN A 26 -0.335 4.648 14.199 1.00 2.58 O ATOM 392 CB ASN A 26 1.275 2.439 14.165 1.00 1.93 C ATOM 393 CG ASN A 26 1.921 1.054 14.274 1.00 2.00 C ATOM 394 OD1 ASN A 26 1.794 0.389 15.276 1.00 2.61 O ATOM 395 ND2 ASN A 26 2.597 0.562 13.275 1.00 2.66 N ATOM 0 H ASN A 26 0.479 2.204 11.675 1.00 1.37 H new ATOM 0 HA ASN A 26 -0.727 1.644 14.370 1.00 1.86 H new ATOM 0 HB2 ASN A 26 1.836 3.058 13.465 1.00 1.93 H new ATOM 0 HB3 ASN A 26 1.306 2.942 15.131 1.00 1.93 H new ATOM 0 HD21 ASN A 26 3.008 -0.369 13.347 1.00 2.66 H new ATOM 0 HD22 ASN A 26 2.715 1.108 12.421 1.00 2.66 H new ATOM 402 N GLU A 27 -1.966 3.720 12.996 1.00 2.13 N ATOM 403 CA GLU A 27 -2.779 4.968 12.897 1.00 2.40 C ATOM 404 C GLU A 27 -4.254 4.643 13.047 1.00 2.39 C ATOM 405 O GLU A 27 -4.948 5.234 13.847 1.00 2.60 O ATOM 406 CB GLU A 27 -2.594 5.604 11.525 1.00 2.65 C ATOM 407 CG GLU A 27 -1.398 6.534 11.549 1.00 2.69 C ATOM 408 CD GLU A 27 -1.702 7.720 12.472 1.00 3.06 C ATOM 409 OE1 GLU A 27 -2.591 8.467 12.104 1.00 3.89 O ATOM 410 OE2 GLU A 27 -1.033 7.794 13.491 1.00 3.60 O ATOM 0 H GLU A 27 -2.354 2.925 12.487 1.00 2.13 H new ATOM 0 HA GLU A 27 -2.451 5.646 13.685 1.00 2.40 H new ATOM 0 HB2 GLU A 27 -2.450 4.830 10.771 1.00 2.65 H new ATOM 0 HB3 GLU A 27 -3.491 6.157 11.246 1.00 2.65 H new ATOM 0 HG2 GLU A 27 -0.514 6.001 11.900 1.00 2.69 H new ATOM 0 HG3 GLU A 27 -1.177 6.888 10.542 1.00 2.69 H new ATOM 417 N ARG A 28 -4.702 3.740 12.224 1.00 2.31 N ATOM 418 CA ARG A 28 -6.129 3.358 12.280 1.00 2.32 C ATOM 419 C ARG A 28 -6.277 2.024 13.020 1.00 2.12 C ATOM 420 O ARG A 28 -5.311 1.352 13.340 1.00 2.13 O ATOM 421 CB ARG A 28 -6.701 3.269 10.849 1.00 2.44 C ATOM 422 CG ARG A 28 -6.532 4.612 10.094 1.00 2.24 C ATOM 423 CD ARG A 28 -7.105 5.780 10.921 1.00 2.41 C ATOM 424 NE ARG A 28 -7.348 6.974 10.035 1.00 3.33 N ATOM 425 CZ ARG A 28 -6.521 7.989 10.045 1.00 3.75 C ATOM 426 NH1 ARG A 28 -5.250 7.768 10.210 1.00 4.20 N ATOM 427 NH2 ARG A 28 -7.005 9.177 9.870 1.00 4.84 N ATOM 0 H ARG A 28 -4.143 3.255 11.521 1.00 2.31 H new ATOM 0 HA ARG A 28 -6.692 4.115 12.825 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -6.195 2.474 10.301 1.00 2.44 H new ATOM 0 HB3 ARG A 28 -7.757 3.003 10.892 1.00 2.44 H new ATOM 0 HG2 ARG A 28 -5.476 4.789 9.889 1.00 2.24 H new ATOM 0 HG3 ARG A 28 -7.039 4.559 9.131 1.00 2.24 H new ATOM 0 HD2 ARG A 28 -8.037 5.475 11.397 1.00 2.41 H new ATOM 0 HD3 ARG A 28 -6.411 6.045 11.719 1.00 2.41 H new ATOM 0 HE ARG A 28 -8.163 6.992 9.422 1.00 3.33 H new ATOM 0 HH11 ARG A 28 -4.910 6.814 10.329 1.00 4.20 H new ATOM 0 HH12 ARG A 28 -4.594 8.549 10.220 1.00 4.20 H new ATOM 0 HH21 ARG A 28 -8.007 9.304 9.729 1.00 4.84 H new ATOM 0 HH22 ARG A 28 -6.384 9.986 9.873 1.00 4.84 H new ATOM 441 N ASP A 29 -7.498 1.657 13.198 1.00 2.63 N ATOM 442 CA ASP A 29 -7.839 0.418 13.955 1.00 2.66 C ATOM 443 C ASP A 29 -7.548 -0.886 13.198 1.00 1.87 C ATOM 444 O ASP A 29 -6.875 -1.754 13.722 1.00 2.13 O ATOM 445 CB ASP A 29 -9.336 0.510 14.280 1.00 3.39 C ATOM 446 CG ASP A 29 -9.673 1.943 14.706 1.00 4.13 C ATOM 447 OD1 ASP A 29 -9.941 2.720 13.797 1.00 5.10 O ATOM 448 OD2 ASP A 29 -9.586 2.191 15.894 1.00 4.46 O ATOM 0 H ASP A 29 -8.305 2.171 12.845 1.00 2.63 H new ATOM 0 HA ASP A 29 -7.211 0.371 14.844 1.00 2.66 H new ATOM 0 HB2 ASP A 29 -9.927 0.229 13.409 1.00 3.39 H new ATOM 0 HB3 ASP A 29 -9.591 -0.188 15.077 1.00 3.39 H new ATOM 453 N ASP A 30 -8.022 -1.004 11.983 1.00 1.58 N ATOM 454 CA ASP A 30 -7.787 -2.275 11.223 1.00 1.14 C ATOM 455 C ASP A 30 -6.974 -2.032 9.955 1.00 1.04 C ATOM 456 O ASP A 30 -7.519 -1.864 8.882 1.00 1.76 O ATOM 457 CB ASP A 30 -9.117 -2.931 10.824 1.00 1.89 C ATOM 458 CG ASP A 30 -8.808 -4.249 10.096 1.00 3.27 C ATOM 459 OD1 ASP A 30 -8.312 -5.133 10.775 1.00 4.26 O ATOM 460 OD2 ASP A 30 -9.026 -4.286 8.889 1.00 3.97 O ATOM 0 H ASP A 30 -8.554 -0.288 11.488 1.00 1.58 H new ATOM 0 HA ASP A 30 -7.229 -2.935 11.888 1.00 1.14 H new ATOM 0 HB2 ASP A 30 -9.727 -3.120 11.707 1.00 1.89 H new ATOM 0 HB3 ASP A 30 -9.689 -2.266 10.178 1.00 1.89 H new ATOM 465 N PHE A 31 -5.688 -1.959 10.113 1.00 0.90 N ATOM 466 CA PHE A 31 -4.805 -1.759 8.922 1.00 0.74 C ATOM 467 C PHE A 31 -3.669 -2.789 8.918 1.00 0.73 C ATOM 468 O PHE A 31 -2.833 -2.790 9.799 1.00 0.98 O ATOM 469 CB PHE A 31 -4.223 -0.341 8.940 1.00 0.73 C ATOM 470 CG PHE A 31 -3.378 -0.110 7.670 1.00 0.68 C ATOM 471 CD1 PHE A 31 -2.063 -0.545 7.597 1.00 0.77 C ATOM 472 CD2 PHE A 31 -3.919 0.548 6.581 1.00 0.71 C ATOM 473 CE1 PHE A 31 -1.306 -0.315 6.468 1.00 0.83 C ATOM 474 CE2 PHE A 31 -3.161 0.770 5.447 1.00 0.85 C ATOM 475 CZ PHE A 31 -1.854 0.341 5.392 1.00 0.88 C ATOM 0 H PHE A 31 -5.204 -2.028 11.008 1.00 0.90 H new ATOM 0 HA PHE A 31 -5.400 -1.893 8.019 1.00 0.74 H new ATOM 0 HB2 PHE A 31 -5.028 0.392 8.991 1.00 0.73 H new ATOM 0 HB3 PHE A 31 -3.607 -0.201 9.829 1.00 0.73 H new ATOM 0 HD1 PHE A 31 -1.627 -1.070 8.434 1.00 0.77 H new ATOM 0 HD2 PHE A 31 -4.942 0.891 6.617 1.00 0.71 H new ATOM 0 HE1 PHE A 31 -0.280 -0.651 6.429 1.00 0.83 H new ATOM 0 HE2 PHE A 31 -3.595 1.282 4.601 1.00 0.85 H new ATOM 0 HZ PHE A 31 -1.262 0.519 4.507 1.00 0.88 H new ATOM 485 N GLN A 32 -3.695 -3.669 7.947 1.00 0.69 N ATOM 486 CA GLN A 32 -2.622 -4.704 7.822 1.00 0.71 C ATOM 487 C GLN A 32 -1.949 -4.440 6.479 1.00 0.72 C ATOM 488 O GLN A 32 -2.562 -3.850 5.619 1.00 1.16 O ATOM 489 CB GLN A 32 -3.220 -6.124 7.767 1.00 0.90 C ATOM 490 CG GLN A 32 -4.335 -6.310 8.805 1.00 1.22 C ATOM 491 CD GLN A 32 -5.661 -5.759 8.260 1.00 2.66 C ATOM 492 OE1 GLN A 32 -6.214 -6.242 7.285 1.00 3.54 O ATOM 493 NE2 GLN A 32 -6.211 -4.758 8.866 1.00 3.79 N ATOM 0 H GLN A 32 -4.419 -3.715 7.230 1.00 0.69 H new ATOM 0 HA GLN A 32 -1.943 -4.647 8.673 1.00 0.71 H new ATOM 0 HB2 GLN A 32 -3.616 -6.314 6.769 1.00 0.90 H new ATOM 0 HB3 GLN A 32 -2.433 -6.858 7.943 1.00 0.90 H new ATOM 0 HG2 GLN A 32 -4.444 -7.367 9.048 1.00 1.22 H new ATOM 0 HG3 GLN A 32 -4.071 -5.796 9.729 1.00 1.22 H new ATOM 0 HE21 GLN A 32 -5.759 -4.345 9.682 1.00 3.79 H new ATOM 0 HE22 GLN A 32 -7.097 -4.381 8.528 1.00 3.79 H new ATOM 502 N TYR A 33 -0.739 -4.870 6.273 1.00 0.71 N ATOM 503 CA TYR A 33 -0.130 -4.605 4.936 1.00 0.71 C ATOM 504 C TYR A 33 0.982 -5.611 4.622 1.00 0.80 C ATOM 505 O TYR A 33 1.608 -6.148 5.515 1.00 0.91 O ATOM 506 CB TYR A 33 0.405 -3.161 4.912 1.00 0.71 C ATOM 507 CG TYR A 33 1.837 -3.095 5.445 1.00 0.68 C ATOM 508 CD1 TYR A 33 2.902 -3.285 4.585 1.00 0.74 C ATOM 509 CD2 TYR A 33 2.084 -2.862 6.786 1.00 0.81 C ATOM 510 CE1 TYR A 33 4.193 -3.244 5.056 1.00 0.87 C ATOM 511 CE2 TYR A 33 3.378 -2.824 7.253 1.00 0.94 C ATOM 512 CZ TYR A 33 4.439 -3.015 6.390 1.00 0.96 C ATOM 513 OH TYR A 33 5.730 -2.997 6.864 1.00 1.20 O ATOM 0 H TYR A 33 -0.159 -5.376 6.943 1.00 0.71 H new ATOM 0 HA TYR A 33 -0.891 -4.723 4.164 1.00 0.71 H new ATOM 0 HB2 TYR A 33 0.375 -2.776 3.893 1.00 0.71 H new ATOM 0 HB3 TYR A 33 -0.240 -2.521 5.514 1.00 0.71 H new ATOM 0 HD1 TYR A 33 2.719 -3.467 3.536 1.00 0.74 H new ATOM 0 HD2 TYR A 33 1.260 -2.710 7.467 1.00 0.81 H new ATOM 0 HE1 TYR A 33 5.018 -3.392 4.375 1.00 0.87 H new ATOM 0 HE2 TYR A 33 3.565 -2.644 8.301 1.00 0.94 H new ATOM 0 HH TYR A 33 5.720 -3.046 7.843 1.00 1.20 H new ATOM 523 N GLN A 34 1.195 -5.824 3.355 1.00 0.80 N ATOM 524 CA GLN A 34 2.264 -6.775 2.911 1.00 0.92 C ATOM 525 C GLN A 34 3.025 -6.179 1.720 1.00 0.82 C ATOM 526 O GLN A 34 2.440 -5.521 0.864 1.00 0.72 O ATOM 527 CB GLN A 34 1.634 -8.112 2.470 1.00 1.05 C ATOM 528 CG GLN A 34 2.737 -9.176 2.304 1.00 1.59 C ATOM 529 CD GLN A 34 2.296 -10.266 1.325 1.00 2.03 C ATOM 530 OE1 GLN A 34 1.303 -10.930 1.519 1.00 2.85 O ATOM 531 NE2 GLN A 34 3.020 -10.485 0.267 1.00 3.25 N ATOM 0 H GLN A 34 0.674 -5.380 2.599 1.00 0.80 H new ATOM 0 HA GLN A 34 2.945 -6.945 3.745 1.00 0.92 H new ATOM 0 HB2 GLN A 34 0.904 -8.443 3.209 1.00 1.05 H new ATOM 0 HB3 GLN A 34 1.098 -7.980 1.530 1.00 1.05 H new ATOM 0 HG2 GLN A 34 3.652 -8.705 1.944 1.00 1.59 H new ATOM 0 HG3 GLN A 34 2.968 -9.621 3.272 1.00 1.59 H new ATOM 0 HE21 GLN A 34 3.858 -9.928 0.098 1.00 3.25 H new ATOM 0 HE22 GLN A 34 2.750 -11.213 -0.394 1.00 3.25 H new ATOM 540 N TYR A 35 4.294 -6.474 1.643 1.00 0.91 N ATOM 541 CA TYR A 35 5.078 -5.940 0.499 1.00 0.86 C ATOM 542 C TYR A 35 5.098 -7.018 -0.578 1.00 0.77 C ATOM 543 O TYR A 35 5.119 -8.203 -0.266 1.00 0.72 O ATOM 544 CB TYR A 35 6.514 -5.616 0.931 1.00 0.96 C ATOM 545 CG TYR A 35 7.242 -4.980 -0.266 1.00 0.93 C ATOM 546 CD1 TYR A 35 7.806 -5.771 -1.248 1.00 0.93 C ATOM 547 CD2 TYR A 35 7.246 -3.612 -0.439 1.00 1.10 C ATOM 548 CE1 TYR A 35 8.347 -5.210 -2.383 1.00 1.00 C ATOM 549 CE2 TYR A 35 7.787 -3.048 -1.581 1.00 1.13 C ATOM 550 CZ TYR A 35 8.337 -3.844 -2.565 1.00 1.03 C ATOM 551 OH TYR A 35 8.822 -3.301 -3.737 1.00 1.18 O ATOM 0 H TYR A 35 4.811 -7.049 2.308 1.00 0.91 H new ATOM 0 HA TYR A 35 4.625 -5.020 0.129 1.00 0.86 H new ATOM 0 HB2 TYR A 35 6.511 -4.933 1.781 1.00 0.96 H new ATOM 0 HB3 TYR A 35 7.028 -6.522 1.252 1.00 0.96 H new ATOM 0 HD1 TYR A 35 7.823 -6.844 -1.124 1.00 0.93 H new ATOM 0 HD2 TYR A 35 6.823 -2.975 0.324 1.00 1.10 H new ATOM 0 HE1 TYR A 35 8.784 -5.847 -3.138 1.00 1.00 H new ATOM 0 HE2 TYR A 35 7.779 -1.975 -1.703 1.00 1.13 H new ATOM 0 HH TYR A 35 8.908 -4.005 -4.413 1.00 1.18 H new ATOM 561 N VAL A 36 5.058 -6.592 -1.816 1.00 0.80 N ATOM 562 CA VAL A 36 5.070 -7.557 -2.949 1.00 0.73 C ATOM 563 C VAL A 36 5.942 -7.003 -4.094 1.00 0.71 C ATOM 564 O VAL A 36 6.127 -5.806 -4.199 1.00 0.77 O ATOM 565 CB VAL A 36 3.596 -7.748 -3.357 1.00 0.61 C ATOM 566 CG1 VAL A 36 3.466 -8.201 -4.817 1.00 0.46 C ATOM 567 CG2 VAL A 36 2.985 -8.828 -2.451 1.00 0.87 C ATOM 0 H VAL A 36 5.017 -5.610 -2.088 1.00 0.80 H new ATOM 0 HA VAL A 36 5.505 -8.520 -2.681 1.00 0.73 H new ATOM 0 HB VAL A 36 3.079 -6.794 -3.251 1.00 0.61 H new ATOM 0 HG11 VAL A 36 2.412 -8.325 -5.067 1.00 0.46 H new ATOM 0 HG12 VAL A 36 3.909 -7.450 -5.472 1.00 0.46 H new ATOM 0 HG13 VAL A 36 3.985 -9.150 -4.951 1.00 0.46 H new ATOM 0 HG21 VAL A 36 1.940 -8.981 -2.721 1.00 0.87 H new ATOM 0 HG22 VAL A 36 3.533 -9.762 -2.577 1.00 0.87 H new ATOM 0 HG23 VAL A 36 3.048 -8.508 -1.411 1.00 0.87 H new ATOM 577 N ASP A 37 6.454 -7.878 -4.924 1.00 0.85 N ATOM 578 CA ASP A 37 7.316 -7.435 -6.068 1.00 1.11 C ATOM 579 C ASP A 37 6.855 -8.137 -7.352 1.00 1.06 C ATOM 580 O ASP A 37 6.601 -9.336 -7.370 1.00 1.22 O ATOM 581 CB ASP A 37 8.770 -7.795 -5.772 1.00 1.42 C ATOM 582 CG ASP A 37 9.650 -7.108 -6.800 1.00 1.88 C ATOM 583 OD1 ASP A 37 9.498 -7.455 -7.956 1.00 2.52 O ATOM 584 OD2 ASP A 37 10.457 -6.317 -6.380 1.00 2.42 O ATOM 0 H ASP A 37 6.312 -8.886 -4.859 1.00 0.85 H new ATOM 0 HA ASP A 37 7.232 -6.356 -6.199 1.00 1.11 H new ATOM 0 HB2 ASP A 37 9.043 -7.477 -4.766 1.00 1.42 H new ATOM 0 HB3 ASP A 37 8.910 -8.875 -5.814 1.00 1.42 H new ATOM 589 N ILE A 38 6.807 -7.393 -8.411 1.00 1.11 N ATOM 590 CA ILE A 38 6.346 -7.963 -9.707 1.00 1.10 C ATOM 591 C ILE A 38 7.114 -9.232 -10.125 1.00 1.14 C ATOM 592 O ILE A 38 6.577 -10.050 -10.835 1.00 1.30 O ATOM 593 CB ILE A 38 6.447 -6.879 -10.784 1.00 1.22 C ATOM 594 CG1 ILE A 38 7.907 -6.455 -10.959 1.00 1.47 C ATOM 595 CG2 ILE A 38 5.592 -5.673 -10.343 1.00 1.21 C ATOM 596 CD1 ILE A 38 8.058 -5.698 -12.282 1.00 1.66 C ATOM 0 H ILE A 38 7.068 -6.407 -8.440 1.00 1.11 H new ATOM 0 HA ILE A 38 5.310 -8.280 -9.584 1.00 1.10 H new ATOM 0 HB ILE A 38 6.083 -7.262 -11.738 1.00 1.22 H new ATOM 0 HG12 ILE A 38 8.216 -5.822 -10.127 1.00 1.47 H new ATOM 0 HG13 ILE A 38 8.556 -7.331 -10.952 1.00 1.47 H new ATOM 0 HG21 ILE A 38 5.651 -4.889 -11.098 1.00 1.21 H new ATOM 0 HG22 ILE A 38 4.555 -5.986 -10.226 1.00 1.21 H new ATOM 0 HG23 ILE A 38 5.965 -5.290 -9.393 1.00 1.21 H new ATOM 0 HD11 ILE A 38 9.097 -5.394 -12.411 1.00 1.66 H new ATOM 0 HD12 ILE A 38 7.765 -6.346 -13.108 1.00 1.66 H new ATOM 0 HD13 ILE A 38 7.420 -4.814 -12.270 1.00 1.66 H new ATOM 608 N ARG A 39 8.330 -9.410 -9.680 1.00 1.13 N ATOM 609 CA ARG A 39 9.073 -10.652 -10.095 1.00 1.33 C ATOM 610 C ARG A 39 8.798 -11.807 -9.122 1.00 1.30 C ATOM 611 O ARG A 39 9.125 -12.943 -9.405 1.00 1.52 O ATOM 612 CB ARG A 39 10.578 -10.390 -10.102 1.00 1.53 C ATOM 613 CG ARG A 39 10.892 -9.096 -10.863 1.00 2.61 C ATOM 614 CD ARG A 39 12.409 -8.864 -10.855 1.00 3.10 C ATOM 615 NE ARG A 39 12.950 -9.314 -9.531 1.00 3.21 N ATOM 616 CZ ARG A 39 13.002 -8.467 -8.556 1.00 3.93 C ATOM 617 NH1 ARG A 39 11.909 -8.155 -7.969 1.00 4.52 N ATOM 618 NH2 ARG A 39 14.132 -7.936 -8.214 1.00 4.88 N ATOM 0 H ARG A 39 8.836 -8.773 -9.064 1.00 1.13 H new ATOM 0 HA ARG A 39 8.728 -10.921 -11.093 1.00 1.33 H new ATOM 0 HB2 ARG A 39 10.945 -10.316 -9.078 1.00 1.53 H new ATOM 0 HB3 ARG A 39 11.097 -11.228 -10.567 1.00 1.53 H new ATOM 0 HG2 ARG A 39 10.528 -9.165 -11.888 1.00 2.61 H new ATOM 0 HG3 ARG A 39 10.380 -8.253 -10.399 1.00 2.61 H new ATOM 0 HD2 ARG A 39 12.882 -9.418 -11.666 1.00 3.10 H new ATOM 0 HD3 ARG A 39 12.632 -7.809 -11.017 1.00 3.10 H new ATOM 0 HE ARG A 39 13.272 -10.273 -9.402 1.00 3.21 H new ATOM 0 HH11 ARG A 39 11.029 -8.572 -8.274 1.00 4.52 H new ATOM 0 HH12 ARG A 39 11.917 -7.489 -7.196 1.00 4.52 H new ATOM 0 HH21 ARG A 39 14.985 -8.186 -8.714 1.00 4.88 H new ATOM 0 HH22 ARG A 39 14.169 -7.268 -7.444 1.00 4.88 H new ATOM 632 N ALA A 40 8.239 -11.488 -7.987 1.00 1.28 N ATOM 633 CA ALA A 40 7.935 -12.549 -6.988 1.00 1.38 C ATOM 634 C ALA A 40 6.723 -13.313 -7.505 1.00 1.41 C ATOM 635 O ALA A 40 6.649 -14.526 -7.424 1.00 1.52 O ATOM 636 CB ALA A 40 7.612 -11.890 -5.641 1.00 1.55 C ATOM 0 H ALA A 40 7.981 -10.541 -7.709 1.00 1.28 H new ATOM 0 HA ALA A 40 8.780 -13.224 -6.849 1.00 1.38 H new ATOM 0 HB1 ALA A 40 7.388 -12.661 -4.903 1.00 1.55 H new ATOM 0 HB2 ALA A 40 8.469 -11.306 -5.307 1.00 1.55 H new ATOM 0 HB3 ALA A 40 6.749 -11.234 -5.754 1.00 1.55 H new ATOM 642 N GLU A 41 5.812 -12.546 -8.032 1.00 1.41 N ATOM 643 CA GLU A 41 4.572 -13.144 -8.602 1.00 1.54 C ATOM 644 C GLU A 41 4.802 -13.480 -10.087 1.00 1.53 C ATOM 645 O GLU A 41 4.367 -14.515 -10.555 1.00 1.68 O ATOM 646 CB GLU A 41 3.414 -12.143 -8.429 1.00 1.57 C ATOM 647 CG GLU A 41 2.265 -12.817 -7.652 1.00 2.57 C ATOM 648 CD GLU A 41 2.747 -13.199 -6.243 1.00 2.07 C ATOM 649 OE1 GLU A 41 3.031 -12.274 -5.495 1.00 1.98 O ATOM 650 OE2 GLU A 41 2.825 -14.390 -6.004 1.00 3.44 O ATOM 0 H GLU A 41 5.871 -11.530 -8.093 1.00 1.41 H new ATOM 0 HA GLU A 41 4.317 -14.067 -8.082 1.00 1.54 H new ATOM 0 HB2 GLU A 41 3.760 -11.259 -7.894 1.00 1.57 H new ATOM 0 HB3 GLU A 41 3.060 -11.807 -9.404 1.00 1.57 H new ATOM 0 HG2 GLU A 41 1.413 -12.141 -7.584 1.00 2.57 H new ATOM 0 HG3 GLU A 41 1.925 -13.706 -8.184 1.00 2.57 H new ATOM 657 N GLY A 42 5.462 -12.601 -10.809 1.00 1.51 N ATOM 658 CA GLY A 42 5.735 -12.885 -12.261 1.00 1.55 C ATOM 659 C GLY A 42 4.908 -11.973 -13.165 1.00 1.60 C ATOM 660 O GLY A 42 4.142 -12.439 -13.988 1.00 1.73 O ATOM 0 H GLY A 42 5.820 -11.711 -10.463 1.00 1.51 H new ATOM 0 HA2 GLY A 42 6.796 -12.744 -12.469 1.00 1.55 H new ATOM 0 HA3 GLY A 42 5.503 -13.927 -12.481 1.00 1.55 H new ATOM 664 N ILE A 43 5.094 -10.699 -13.013 1.00 1.56 N ATOM 665 CA ILE A 43 4.318 -9.736 -13.835 1.00 1.70 C ATOM 666 C ILE A 43 5.260 -8.866 -14.667 1.00 1.65 C ATOM 667 O ILE A 43 6.401 -8.634 -14.288 1.00 1.53 O ATOM 668 CB ILE A 43 3.492 -8.854 -12.880 1.00 1.73 C ATOM 669 CG1 ILE A 43 2.741 -9.754 -11.879 1.00 1.78 C ATOM 670 CG2 ILE A 43 2.478 -8.028 -13.687 1.00 1.92 C ATOM 671 CD1 ILE A 43 1.920 -8.900 -10.903 1.00 1.99 C ATOM 0 H ILE A 43 5.750 -10.280 -12.355 1.00 1.56 H new ATOM 0 HA ILE A 43 3.662 -10.273 -14.520 1.00 1.70 H new ATOM 0 HB ILE A 43 4.157 -8.180 -12.340 1.00 1.73 H new ATOM 0 HG12 ILE A 43 2.083 -10.437 -12.417 1.00 1.78 H new ATOM 0 HG13 ILE A 43 3.453 -10.367 -11.326 1.00 1.78 H new ATOM 0 HG21 ILE A 43 1.895 -7.405 -13.009 1.00 1.92 H new ATOM 0 HG22 ILE A 43 3.008 -7.394 -14.397 1.00 1.92 H new ATOM 0 HG23 ILE A 43 1.811 -8.699 -14.228 1.00 1.92 H new ATOM 0 HD11 ILE A 43 1.396 -9.550 -10.203 1.00 1.99 H new ATOM 0 HD12 ILE A 43 2.586 -8.235 -10.352 1.00 1.99 H new ATOM 0 HD13 ILE A 43 1.195 -8.307 -11.460 1.00 1.99 H new ATOM 683 N THR A 44 4.742 -8.383 -15.764 1.00 1.83 N ATOM 684 CA THR A 44 5.546 -7.503 -16.657 1.00 1.92 C ATOM 685 C THR A 44 4.926 -6.111 -16.548 1.00 1.98 C ATOM 686 O THR A 44 4.201 -5.856 -15.604 1.00 2.23 O ATOM 687 CB THR A 44 5.469 -8.039 -18.087 1.00 2.15 C ATOM 688 OG1 THR A 44 4.090 -8.066 -18.406 1.00 2.32 O ATOM 689 CG2 THR A 44 5.919 -9.497 -18.136 1.00 2.14 C ATOM 0 H THR A 44 3.789 -8.562 -16.081 1.00 1.83 H new ATOM 0 HA THR A 44 6.599 -7.471 -16.378 1.00 1.92 H new ATOM 0 HB THR A 44 6.084 -7.430 -18.749 1.00 2.15 H new ATOM 0 HG1 THR A 44 3.980 -8.170 -19.374 1.00 2.32 H new ATOM 0 HG21 THR A 44 5.858 -9.862 -19.161 1.00 2.14 H new ATOM 0 HG22 THR A 44 6.948 -9.572 -17.785 1.00 2.14 H new ATOM 0 HG23 THR A 44 5.273 -10.099 -17.497 1.00 2.14 H new ATOM 697 N LYS A 45 5.162 -5.224 -17.479 1.00 2.21 N ATOM 698 CA LYS A 45 4.513 -3.883 -17.314 1.00 2.22 C ATOM 699 C LYS A 45 3.259 -3.818 -18.176 1.00 2.50 C ATOM 700 O LYS A 45 2.716 -2.754 -18.440 1.00 3.27 O ATOM 701 CB LYS A 45 5.502 -2.770 -17.687 1.00 2.47 C ATOM 702 CG LYS A 45 5.633 -2.550 -19.207 1.00 3.43 C ATOM 703 CD LYS A 45 5.631 -1.035 -19.523 1.00 3.84 C ATOM 704 CE LYS A 45 4.188 -0.497 -19.631 1.00 4.23 C ATOM 705 NZ LYS A 45 3.544 -0.317 -18.292 1.00 4.37 N ATOM 0 H LYS A 45 5.744 -5.354 -18.307 1.00 2.21 H new ATOM 0 HA LYS A 45 4.225 -3.739 -16.273 1.00 2.22 H new ATOM 0 HB2 LYS A 45 5.183 -1.839 -17.219 1.00 2.47 H new ATOM 0 HB3 LYS A 45 6.482 -3.013 -17.277 1.00 2.47 H new ATOM 0 HG2 LYS A 45 6.554 -3.005 -19.571 1.00 3.43 H new ATOM 0 HG3 LYS A 45 4.809 -3.040 -19.726 1.00 3.43 H new ATOM 0 HD2 LYS A 45 6.167 -0.496 -18.742 1.00 3.84 H new ATOM 0 HD3 LYS A 45 6.162 -0.854 -20.457 1.00 3.84 H new ATOM 0 HE2 LYS A 45 4.197 0.457 -20.158 1.00 4.23 H new ATOM 0 HE3 LYS A 45 3.590 -1.185 -20.229 1.00 4.23 H new ATOM 0 HZ1 LYS A 45 2.920 0.515 -18.316 1.00 4.37 H new ATOM 0 HZ2 LYS A 45 2.985 -1.163 -18.059 1.00 4.37 H new ATOM 0 HZ3 LYS A 45 4.279 -0.178 -17.569 1.00 4.37 H new ATOM 719 N GLU A 46 2.817 -4.979 -18.541 1.00 2.06 N ATOM 720 CA GLU A 46 1.607 -5.101 -19.403 1.00 2.30 C ATOM 721 C GLU A 46 0.374 -5.489 -18.570 1.00 2.20 C ATOM 722 O GLU A 46 -0.568 -4.725 -18.473 1.00 2.36 O ATOM 723 CB GLU A 46 1.888 -6.194 -20.438 1.00 2.46 C ATOM 724 CG GLU A 46 3.301 -6.024 -21.019 1.00 2.58 C ATOM 725 CD GLU A 46 3.690 -7.316 -21.738 1.00 2.95 C ATOM 726 OE1 GLU A 46 3.150 -7.530 -22.804 1.00 4.01 O ATOM 727 OE2 GLU A 46 4.479 -8.033 -21.147 1.00 3.48 O ATOM 0 H GLU A 46 3.245 -5.866 -18.278 1.00 2.06 H new ATOM 0 HA GLU A 46 1.398 -4.145 -19.883 1.00 2.30 H new ATOM 0 HB2 GLU A 46 1.793 -7.176 -19.975 1.00 2.46 H new ATOM 0 HB3 GLU A 46 1.150 -6.146 -21.238 1.00 2.46 H new ATOM 0 HG2 GLU A 46 3.327 -5.183 -21.712 1.00 2.58 H new ATOM 0 HG3 GLU A 46 4.013 -5.804 -20.224 1.00 2.58 H new ATOM 734 N ASP A 47 0.417 -6.656 -17.965 1.00 2.05 N ATOM 735 CA ASP A 47 -0.752 -7.122 -17.137 1.00 2.12 C ATOM 736 C ASP A 47 -1.066 -6.094 -16.051 1.00 1.89 C ATOM 737 O ASP A 47 -2.211 -5.809 -15.771 1.00 1.93 O ATOM 738 CB ASP A 47 -0.426 -8.470 -16.474 1.00 2.12 C ATOM 739 CG ASP A 47 -1.742 -9.240 -16.266 1.00 2.94 C ATOM 740 OD1 ASP A 47 -2.184 -9.805 -17.244 1.00 4.00 O ATOM 741 OD2 ASP A 47 -2.268 -9.177 -15.161 1.00 3.14 O ATOM 0 H ASP A 47 1.204 -7.304 -18.007 1.00 2.05 H new ATOM 0 HA ASP A 47 -1.616 -7.238 -17.791 1.00 2.12 H new ATOM 0 HB2 ASP A 47 0.255 -9.046 -17.100 1.00 2.12 H new ATOM 0 HB3 ASP A 47 0.076 -8.312 -15.519 1.00 2.12 H new ATOM 746 N LEU A 48 -0.032 -5.583 -15.420 1.00 1.70 N ATOM 747 CA LEU A 48 -0.271 -4.556 -14.357 1.00 1.57 C ATOM 748 C LEU A 48 -1.321 -3.545 -14.833 1.00 1.62 C ATOM 749 O LEU A 48 -2.159 -3.135 -14.065 1.00 1.66 O ATOM 750 CB LEU A 48 1.048 -3.863 -13.976 1.00 1.57 C ATOM 751 CG LEU A 48 1.493 -4.405 -12.601 1.00 1.38 C ATOM 752 CD1 LEU A 48 2.960 -4.068 -12.340 1.00 1.37 C ATOM 753 CD2 LEU A 48 0.643 -3.749 -11.501 1.00 1.89 C ATOM 0 H LEU A 48 0.944 -5.826 -15.590 1.00 1.70 H new ATOM 0 HA LEU A 48 -0.656 -5.047 -13.463 1.00 1.57 H new ATOM 0 HB2 LEU A 48 1.812 -4.059 -14.728 1.00 1.57 H new ATOM 0 HB3 LEU A 48 0.912 -2.782 -13.934 1.00 1.57 H new ATOM 0 HG LEU A 48 1.364 -5.487 -12.596 1.00 1.38 H new ATOM 0 HD11 LEU A 48 3.255 -4.458 -11.366 1.00 1.37 H new ATOM 0 HD12 LEU A 48 3.580 -4.519 -13.115 1.00 1.37 H new ATOM 0 HD13 LEU A 48 3.093 -2.986 -12.353 1.00 1.37 H new ATOM 0 HD21 LEU A 48 0.953 -4.128 -10.527 1.00 1.89 H new ATOM 0 HD22 LEU A 48 0.781 -2.668 -11.530 1.00 1.89 H new ATOM 0 HD23 LEU A 48 -0.409 -3.985 -11.664 1.00 1.89 H new ATOM 765 N GLN A 49 -1.284 -3.177 -16.090 1.00 1.72 N ATOM 766 CA GLN A 49 -2.317 -2.213 -16.593 1.00 1.83 C ATOM 767 C GLN A 49 -3.717 -2.747 -16.250 1.00 1.76 C ATOM 768 O GLN A 49 -4.577 -2.021 -15.792 1.00 1.78 O ATOM 769 CB GLN A 49 -2.178 -2.080 -18.114 1.00 2.13 C ATOM 770 CG GLN A 49 -0.877 -1.333 -18.446 1.00 2.32 C ATOM 771 CD GLN A 49 -1.118 0.169 -18.290 1.00 3.34 C ATOM 772 OE1 GLN A 49 -1.760 0.787 -19.118 1.00 4.07 O ATOM 773 NE2 GLN A 49 -0.664 0.796 -17.243 1.00 4.68 N ATOM 0 H GLN A 49 -0.600 -3.493 -16.778 1.00 1.72 H new ATOM 0 HA GLN A 49 -2.175 -1.239 -16.125 1.00 1.83 H new ATOM 0 HB2 GLN A 49 -2.172 -3.067 -18.577 1.00 2.13 H new ATOM 0 HB3 GLN A 49 -3.033 -1.542 -18.522 1.00 2.13 H new ATOM 0 HG2 GLN A 49 -0.076 -1.658 -17.782 1.00 2.32 H new ATOM 0 HG3 GLN A 49 -0.560 -1.561 -19.464 1.00 2.32 H new ATOM 0 HE21 GLN A 49 -0.124 0.291 -16.540 1.00 4.68 H new ATOM 0 HE22 GLN A 49 -0.848 1.792 -17.125 1.00 4.68 H new ATOM 782 N GLN A 50 -3.880 -4.022 -16.453 1.00 1.77 N ATOM 783 CA GLN A 50 -5.182 -4.693 -16.173 1.00 1.86 C ATOM 784 C GLN A 50 -5.375 -4.951 -14.674 1.00 1.63 C ATOM 785 O GLN A 50 -6.476 -4.870 -14.169 1.00 1.78 O ATOM 786 CB GLN A 50 -5.199 -6.031 -16.930 1.00 2.10 C ATOM 787 CG GLN A 50 -5.244 -5.772 -18.441 1.00 3.21 C ATOM 788 CD GLN A 50 -6.490 -4.951 -18.783 1.00 4.68 C ATOM 789 OE1 GLN A 50 -7.602 -5.434 -18.769 1.00 5.10 O ATOM 790 NE2 GLN A 50 -6.346 -3.694 -19.070 1.00 6.22 N ATOM 0 H GLN A 50 -3.152 -4.642 -16.808 1.00 1.77 H new ATOM 0 HA GLN A 50 -5.994 -4.044 -16.501 1.00 1.86 H new ATOM 0 HB2 GLN A 50 -4.313 -6.613 -16.678 1.00 2.10 H new ATOM 0 HB3 GLN A 50 -6.065 -6.620 -16.627 1.00 2.10 H new ATOM 0 HG2 GLN A 50 -4.347 -5.239 -18.756 1.00 3.21 H new ATOM 0 HG3 GLN A 50 -5.259 -6.718 -18.982 1.00 3.21 H new ATOM 0 HE21 GLN A 50 -5.415 -3.278 -19.085 1.00 6.22 H new ATOM 0 HE22 GLN A 50 -7.164 -3.122 -19.281 1.00 6.22 H new ATOM 799 N LYS A 51 -4.311 -5.288 -14.000 1.00 1.50 N ATOM 800 CA LYS A 51 -4.422 -5.566 -12.539 1.00 1.60 C ATOM 801 C LYS A 51 -4.730 -4.287 -11.748 1.00 1.46 C ATOM 802 O LYS A 51 -5.458 -4.325 -10.776 1.00 1.52 O ATOM 803 CB LYS A 51 -3.096 -6.141 -12.029 1.00 1.86 C ATOM 804 CG LYS A 51 -2.514 -7.150 -13.023 1.00 3.27 C ATOM 805 CD LYS A 51 -1.747 -8.244 -12.265 1.00 3.49 C ATOM 806 CE LYS A 51 -2.763 -9.204 -11.646 1.00 3.44 C ATOM 807 NZ LYS A 51 -3.643 -9.716 -12.728 1.00 4.38 N ATOM 0 H LYS A 51 -3.375 -5.383 -14.393 1.00 1.50 H new ATOM 0 HA LYS A 51 -5.236 -6.276 -12.394 1.00 1.60 H new ATOM 0 HB2 LYS A 51 -2.383 -5.332 -11.868 1.00 1.86 H new ATOM 0 HB3 LYS A 51 -3.253 -6.625 -11.065 1.00 1.86 H new ATOM 0 HG2 LYS A 51 -3.315 -7.596 -13.613 1.00 3.27 H new ATOM 0 HG3 LYS A 51 -1.848 -6.643 -13.721 1.00 3.27 H new ATOM 0 HD2 LYS A 51 -1.082 -8.780 -12.942 1.00 3.49 H new ATOM 0 HD3 LYS A 51 -1.122 -7.801 -11.489 1.00 3.49 H new ATOM 0 HE2 LYS A 51 -2.252 -10.029 -11.150 1.00 3.44 H new ATOM 0 HE3 LYS A 51 -3.354 -8.693 -10.886 1.00 3.44 H new ATOM 0 HZ1 LYS A 51 -3.844 -10.723 -12.564 1.00 4.38 H new ATOM 0 HZ2 LYS A 51 -4.535 -9.181 -12.733 1.00 4.38 H new ATOM 0 HZ3 LYS A 51 -3.167 -9.603 -13.646 1.00 4.38 H new ATOM 821 N ALA A 52 -4.139 -3.205 -12.179 1.00 1.50 N ATOM 822 CA ALA A 52 -4.328 -1.899 -11.497 1.00 1.58 C ATOM 823 C ALA A 52 -5.537 -1.150 -12.057 1.00 1.71 C ATOM 824 O ALA A 52 -6.347 -0.637 -11.307 1.00 2.00 O ATOM 825 CB ALA A 52 -3.058 -1.070 -11.719 1.00 1.58 C ATOM 0 H ALA A 52 -3.522 -3.174 -12.991 1.00 1.50 H new ATOM 0 HA ALA A 52 -4.508 -2.065 -10.435 1.00 1.58 H new ATOM 0 HB1 ALA A 52 -3.165 -0.102 -11.229 1.00 1.58 H new ATOM 0 HB2 ALA A 52 -2.201 -1.597 -11.298 1.00 1.58 H new ATOM 0 HB3 ALA A 52 -2.903 -0.921 -12.788 1.00 1.58 H new ATOM 831 N GLY A 53 -5.631 -1.077 -13.359 1.00 1.73 N ATOM 832 CA GLY A 53 -6.785 -0.351 -13.977 1.00 2.02 C ATOM 833 C GLY A 53 -6.410 1.116 -14.193 1.00 2.32 C ATOM 834 O GLY A 53 -7.262 1.955 -14.422 1.00 2.86 O ATOM 0 H GLY A 53 -4.967 -1.484 -14.018 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -7.051 -0.813 -14.928 1.00 2.02 H new ATOM 0 HA3 GLY A 53 -7.661 -0.422 -13.332 1.00 2.02 H new ATOM 838 N LYS A 54 -5.136 1.388 -14.112 1.00 2.29 N ATOM 839 CA LYS A 54 -4.646 2.775 -14.292 1.00 2.64 C ATOM 840 C LYS A 54 -3.704 2.769 -15.511 1.00 2.51 C ATOM 841 O LYS A 54 -2.966 1.821 -15.703 1.00 2.87 O ATOM 842 CB LYS A 54 -3.917 3.125 -12.985 1.00 3.35 C ATOM 843 CG LYS A 54 -3.865 4.637 -12.754 1.00 3.88 C ATOM 844 CD LYS A 54 -4.057 4.927 -11.248 1.00 4.68 C ATOM 845 CE LYS A 54 -3.761 6.405 -10.927 1.00 5.29 C ATOM 846 NZ LYS A 54 -2.354 6.574 -10.474 1.00 5.92 N ATOM 0 H LYS A 54 -4.409 0.697 -13.926 1.00 2.29 H new ATOM 0 HA LYS A 54 -5.427 3.512 -14.479 1.00 2.64 H new ATOM 0 HB2 LYS A 54 -4.423 2.646 -12.147 1.00 3.35 H new ATOM 0 HB3 LYS A 54 -2.903 2.726 -13.016 1.00 3.35 H new ATOM 0 HG2 LYS A 54 -2.910 5.037 -13.095 1.00 3.88 H new ATOM 0 HG3 LYS A 54 -4.643 5.133 -13.334 1.00 3.88 H new ATOM 0 HD2 LYS A 54 -5.079 4.685 -10.955 1.00 4.68 H new ATOM 0 HD3 LYS A 54 -3.398 4.285 -10.664 1.00 4.68 H new ATOM 0 HE2 LYS A 54 -3.939 7.017 -11.811 1.00 5.29 H new ATOM 0 HE3 LYS A 54 -4.442 6.757 -10.153 1.00 5.29 H new ATOM 0 HZ1 LYS A 54 -2.296 7.375 -9.813 1.00 5.92 H new ATOM 0 HZ2 LYS A 54 -2.037 5.707 -9.996 1.00 5.92 H new ATOM 0 HZ3 LYS A 54 -1.744 6.759 -11.296 1.00 5.92 H new ATOM 860 N PRO A 55 -3.763 3.784 -16.345 1.00 2.79 N ATOM 861 CA PRO A 55 -3.140 3.704 -17.686 1.00 2.89 C ATOM 862 C PRO A 55 -1.634 4.007 -17.631 1.00 2.58 C ATOM 863 O PRO A 55 -1.208 4.862 -16.880 1.00 3.37 O ATOM 864 CB PRO A 55 -3.879 4.781 -18.481 1.00 4.03 C ATOM 865 CG PRO A 55 -4.331 5.821 -17.432 1.00 4.58 C ATOM 866 CD PRO A 55 -4.502 5.052 -16.109 1.00 3.79 C ATOM 0 HA PRO A 55 -3.219 2.709 -18.125 1.00 2.89 H new ATOM 0 HB2 PRO A 55 -3.229 5.234 -19.229 1.00 4.03 H new ATOM 0 HB3 PRO A 55 -4.733 4.361 -19.013 1.00 4.03 H new ATOM 0 HG2 PRO A 55 -3.592 6.615 -17.328 1.00 4.58 H new ATOM 0 HG3 PRO A 55 -5.267 6.294 -17.731 1.00 4.58 H new ATOM 0 HD2 PRO A 55 -4.089 5.606 -15.266 1.00 3.79 H new ATOM 0 HD3 PRO A 55 -5.553 4.868 -15.885 1.00 3.79 H new ATOM 874 N VAL A 56 -0.873 3.298 -18.432 1.00 2.74 N ATOM 875 CA VAL A 56 0.616 3.505 -18.506 1.00 3.07 C ATOM 876 C VAL A 56 1.385 3.119 -17.221 1.00 2.61 C ATOM 877 O VAL A 56 2.181 2.168 -17.263 1.00 3.61 O ATOM 878 CB VAL A 56 0.909 4.971 -18.858 1.00 4.20 C ATOM 879 CG1 VAL A 56 2.421 5.178 -19.054 1.00 5.42 C ATOM 880 CG2 VAL A 56 0.171 5.356 -20.149 1.00 5.21 C ATOM 0 H VAL A 56 -1.226 2.569 -19.052 1.00 2.74 H new ATOM 0 HA VAL A 56 0.975 2.829 -19.282 1.00 3.07 H new ATOM 0 HB VAL A 56 0.564 5.602 -18.039 1.00 4.20 H new ATOM 0 HG11 VAL A 56 2.616 6.221 -19.303 1.00 5.42 H new ATOM 0 HG12 VAL A 56 2.946 4.920 -18.134 1.00 5.42 H new ATOM 0 HG13 VAL A 56 2.774 4.539 -19.864 1.00 5.42 H new ATOM 0 HG21 VAL A 56 0.383 6.397 -20.393 1.00 5.21 H new ATOM 0 HG22 VAL A 56 0.507 4.716 -20.965 1.00 5.21 H new ATOM 0 HG23 VAL A 56 -0.902 5.228 -20.007 1.00 5.21 H new ATOM 890 N GLU A 57 1.156 3.846 -16.133 1.00 2.16 N ATOM 891 CA GLU A 57 1.905 3.549 -14.865 1.00 2.61 C ATOM 892 C GLU A 57 1.927 2.047 -14.569 1.00 2.68 C ATOM 893 O GLU A 57 0.982 1.337 -14.857 1.00 3.73 O ATOM 894 CB GLU A 57 1.329 4.354 -13.671 1.00 3.90 C ATOM 895 CG GLU A 57 -0.168 4.106 -13.434 1.00 4.62 C ATOM 896 CD GLU A 57 -0.608 4.924 -12.199 1.00 5.46 C ATOM 897 OE1 GLU A 57 -0.629 6.143 -12.315 1.00 6.05 O ATOM 898 OE2 GLU A 57 -0.895 4.292 -11.190 1.00 6.12 O ATOM 0 H GLU A 57 0.492 4.618 -16.076 1.00 2.16 H new ATOM 0 HA GLU A 57 2.937 3.868 -15.009 1.00 2.61 H new ATOM 0 HB2 GLU A 57 1.880 4.094 -12.767 1.00 3.90 H new ATOM 0 HB3 GLU A 57 1.490 5.417 -13.848 1.00 3.90 H new ATOM 0 HG2 GLU A 57 -0.745 4.402 -14.310 1.00 4.62 H new ATOM 0 HG3 GLU A 57 -0.356 3.045 -13.272 1.00 4.62 H new ATOM 905 N THR A 58 3.024 1.596 -14.019 1.00 2.74 N ATOM 906 CA THR A 58 3.163 0.144 -13.725 1.00 3.80 C ATOM 907 C THR A 58 3.400 -0.109 -12.240 1.00 3.16 C ATOM 908 O THR A 58 2.577 -0.716 -11.592 1.00 3.26 O ATOM 909 CB THR A 58 4.349 -0.385 -14.540 1.00 5.28 C ATOM 910 OG1 THR A 58 4.124 0.067 -15.874 1.00 5.75 O ATOM 911 CG2 THR A 58 4.331 -1.908 -14.628 1.00 7.03 C ATOM 0 H THR A 58 3.826 2.171 -13.762 1.00 2.74 H new ATOM 0 HA THR A 58 2.240 -0.369 -13.995 1.00 3.80 H new ATOM 0 HB THR A 58 5.281 -0.052 -14.084 1.00 5.28 H new ATOM 0 HG1 THR A 58 3.323 0.631 -15.897 1.00 5.75 H new ATOM 0 HG21 THR A 58 5.186 -2.249 -15.213 1.00 7.03 H new ATOM 0 HG22 THR A 58 4.386 -2.331 -13.625 1.00 7.03 H new ATOM 0 HG23 THR A 58 3.409 -2.234 -15.109 1.00 7.03 H new ATOM 919 N VAL A 59 4.518 0.345 -11.735 1.00 2.74 N ATOM 920 CA VAL A 59 4.830 0.133 -10.294 1.00 2.21 C ATOM 921 C VAL A 59 5.300 1.443 -9.655 1.00 1.90 C ATOM 922 O VAL A 59 5.885 2.275 -10.318 1.00 2.33 O ATOM 923 CB VAL A 59 5.946 -0.918 -10.154 1.00 2.60 C ATOM 924 CG1 VAL A 59 5.371 -2.321 -10.374 1.00 3.69 C ATOM 925 CG2 VAL A 59 7.044 -0.651 -11.196 1.00 2.34 C ATOM 0 H VAL A 59 5.228 0.854 -12.261 1.00 2.74 H new ATOM 0 HA VAL A 59 3.927 -0.213 -9.790 1.00 2.21 H new ATOM 0 HB VAL A 59 6.370 -0.853 -9.152 1.00 2.60 H new ATOM 0 HG11 VAL A 59 6.166 -3.060 -10.274 1.00 3.69 H new ATOM 0 HG12 VAL A 59 4.597 -2.518 -9.632 1.00 3.69 H new ATOM 0 HG13 VAL A 59 4.940 -2.385 -11.373 1.00 3.69 H new ATOM 0 HG21 VAL A 59 7.832 -1.397 -11.094 1.00 2.34 H new ATOM 0 HG22 VAL A 59 6.617 -0.709 -12.197 1.00 2.34 H new ATOM 0 HG23 VAL A 59 7.462 0.343 -11.037 1.00 2.34 H new ATOM 935 N PRO A 60 5.121 1.555 -8.359 1.00 1.48 N ATOM 936 CA PRO A 60 4.516 0.509 -7.509 1.00 1.30 C ATOM 937 C PRO A 60 3.015 0.752 -7.381 1.00 1.17 C ATOM 938 O PRO A 60 2.593 1.884 -7.298 1.00 1.43 O ATOM 939 CB PRO A 60 5.205 0.695 -6.153 1.00 1.37 C ATOM 940 CG PRO A 60 5.941 2.055 -6.206 1.00 1.57 C ATOM 941 CD PRO A 60 5.640 2.688 -7.577 1.00 1.60 C ATOM 0 HA PRO A 60 4.643 -0.497 -7.909 1.00 1.30 H new ATOM 0 HB2 PRO A 60 4.475 0.682 -5.344 1.00 1.37 H new ATOM 0 HB3 PRO A 60 5.907 -0.117 -5.962 1.00 1.37 H new ATOM 0 HG2 PRO A 60 5.603 2.706 -5.400 1.00 1.57 H new ATOM 0 HG3 PRO A 60 7.014 1.916 -6.075 1.00 1.57 H new ATOM 0 HD2 PRO A 60 4.909 3.492 -7.498 1.00 1.60 H new ATOM 0 HD3 PRO A 60 6.535 3.114 -8.030 1.00 1.60 H new ATOM 949 N GLN A 61 2.244 -0.290 -7.367 1.00 0.92 N ATOM 950 CA GLN A 61 0.768 -0.096 -7.235 1.00 0.86 C ATOM 951 C GLN A 61 0.327 -0.670 -5.897 1.00 0.81 C ATOM 952 O GLN A 61 0.823 -1.697 -5.476 1.00 0.80 O ATOM 953 CB GLN A 61 0.059 -0.806 -8.393 1.00 0.96 C ATOM 954 CG GLN A 61 0.519 -0.168 -9.707 1.00 1.13 C ATOM 955 CD GLN A 61 -0.133 1.205 -9.888 1.00 2.38 C ATOM 956 OE1 GLN A 61 -1.287 1.307 -10.215 1.00 3.47 O ATOM 957 NE2 GLN A 61 0.563 2.281 -9.700 1.00 3.35 N ATOM 0 H GLN A 61 2.558 -1.258 -7.440 1.00 0.92 H new ATOM 0 HA GLN A 61 0.512 0.963 -7.274 1.00 0.86 H new ATOM 0 HB2 GLN A 61 0.294 -1.870 -8.386 1.00 0.96 H new ATOM 0 HB3 GLN A 61 -1.022 -0.718 -8.287 1.00 0.96 H new ATOM 0 HG2 GLN A 61 1.604 -0.066 -9.709 1.00 1.13 H new ATOM 0 HG3 GLN A 61 0.258 -0.815 -10.544 1.00 1.13 H new ATOM 0 HE21 GLN A 61 1.542 2.213 -9.423 1.00 3.35 H new ATOM 0 HE22 GLN A 61 0.132 3.196 -9.829 1.00 3.35 H new ATOM 966 N ILE A 62 -0.585 0.013 -5.263 1.00 0.90 N ATOM 967 CA ILE A 62 -1.070 -0.453 -3.945 1.00 0.94 C ATOM 968 C ILE A 62 -2.504 -0.918 -4.085 1.00 0.96 C ATOM 969 O ILE A 62 -3.295 -0.318 -4.790 1.00 1.02 O ATOM 970 CB ILE A 62 -1.009 0.689 -2.905 1.00 1.09 C ATOM 971 CG1 ILE A 62 0.452 1.059 -2.604 1.00 1.36 C ATOM 972 CG2 ILE A 62 -1.670 0.230 -1.594 1.00 1.14 C ATOM 973 CD1 ILE A 62 1.024 1.923 -3.729 1.00 0.95 C ATOM 0 H ILE A 62 -1.012 0.874 -5.605 1.00 0.90 H new ATOM 0 HA ILE A 62 -0.435 -1.271 -3.605 1.00 0.94 H new ATOM 0 HB ILE A 62 -1.532 1.554 -3.313 1.00 1.09 H new ATOM 0 HG12 ILE A 62 0.510 1.597 -1.658 1.00 1.36 H new ATOM 0 HG13 ILE A 62 1.048 0.153 -2.493 1.00 1.36 H new ATOM 0 HG21 ILE A 62 -1.626 1.037 -0.862 1.00 1.14 H new ATOM 0 HG22 ILE A 62 -2.711 -0.031 -1.783 1.00 1.14 H new ATOM 0 HG23 ILE A 62 -1.142 -0.641 -1.206 1.00 1.14 H new ATOM 0 HD11 ILE A 62 2.059 2.177 -3.502 1.00 0.95 H new ATOM 0 HD12 ILE A 62 0.983 1.371 -4.668 1.00 0.95 H new ATOM 0 HD13 ILE A 62 0.437 2.837 -3.820 1.00 0.95 H new ATOM 985 N PHE A 63 -2.767 -1.988 -3.431 1.00 0.92 N ATOM 986 CA PHE A 63 -4.126 -2.584 -3.432 1.00 0.97 C ATOM 987 C PHE A 63 -4.539 -2.529 -1.984 1.00 0.92 C ATOM 988 O PHE A 63 -3.836 -3.068 -1.160 1.00 0.93 O ATOM 989 CB PHE A 63 -4.061 -4.035 -3.931 1.00 1.07 C ATOM 990 CG PHE A 63 -3.796 -4.040 -5.444 1.00 1.11 C ATOM 991 CD1 PHE A 63 -2.596 -3.572 -5.952 1.00 1.14 C ATOM 992 CD2 PHE A 63 -4.770 -4.474 -6.328 1.00 1.31 C ATOM 993 CE1 PHE A 63 -2.380 -3.527 -7.311 1.00 1.26 C ATOM 994 CE2 PHE A 63 -4.554 -4.430 -7.692 1.00 1.41 C ATOM 995 CZ PHE A 63 -3.361 -3.950 -8.184 1.00 1.34 C ATOM 0 H PHE A 63 -2.082 -2.499 -2.874 1.00 0.92 H new ATOM 0 HA PHE A 63 -4.827 -2.064 -4.085 1.00 0.97 H new ATOM 0 HB2 PHE A 63 -3.271 -4.576 -3.410 1.00 1.07 H new ATOM 0 HB3 PHE A 63 -4.997 -4.549 -3.712 1.00 1.07 H new ATOM 0 HD1 PHE A 63 -1.822 -3.239 -5.276 1.00 1.14 H new ATOM 0 HD2 PHE A 63 -5.708 -4.851 -5.947 1.00 1.31 H new ATOM 0 HE1 PHE A 63 -1.440 -3.159 -7.695 1.00 1.26 H new ATOM 0 HE2 PHE A 63 -5.320 -4.772 -8.372 1.00 1.41 H new ATOM 0 HZ PHE A 63 -3.194 -3.905 -9.250 1.00 1.34 H new ATOM 1005 N VAL A 64 -5.625 -1.894 -1.682 1.00 0.92 N ATOM 1006 CA VAL A 64 -5.988 -1.815 -0.243 1.00 0.96 C ATOM 1007 C VAL A 64 -7.043 -2.848 0.127 1.00 1.29 C ATOM 1008 O VAL A 64 -8.226 -2.586 0.070 1.00 1.92 O ATOM 1009 CB VAL A 64 -6.432 -0.373 0.063 1.00 0.87 C ATOM 1010 CG1 VAL A 64 -7.084 -0.282 1.447 1.00 0.91 C ATOM 1011 CG2 VAL A 64 -5.172 0.502 0.098 1.00 0.88 C ATOM 0 H VAL A 64 -6.260 -1.440 -2.338 1.00 0.92 H new ATOM 0 HA VAL A 64 -5.123 -2.055 0.375 1.00 0.96 H new ATOM 0 HB VAL A 64 -7.146 -0.053 -0.696 1.00 0.87 H new ATOM 0 HG11 VAL A 64 -7.389 0.747 1.639 1.00 0.91 H new ATOM 0 HG12 VAL A 64 -7.959 -0.932 1.481 1.00 0.91 H new ATOM 0 HG13 VAL A 64 -6.369 -0.596 2.207 1.00 0.91 H new ATOM 0 HG21 VAL A 64 -5.451 1.533 0.313 1.00 0.88 H new ATOM 0 HG22 VAL A 64 -4.498 0.139 0.874 1.00 0.88 H new ATOM 0 HG23 VAL A 64 -4.670 0.456 -0.868 1.00 0.88 H new ATOM 1021 N ASP A 65 -6.564 -4.035 0.395 1.00 1.37 N ATOM 1022 CA ASP A 65 -7.444 -5.163 0.833 1.00 1.70 C ATOM 1023 C ASP A 65 -8.307 -5.735 -0.286 1.00 1.55 C ATOM 1024 O ASP A 65 -8.195 -6.897 -0.631 1.00 1.96 O ATOM 1025 CB ASP A 65 -8.355 -4.650 1.964 1.00 2.24 C ATOM 1026 CG ASP A 65 -8.905 -5.789 2.829 1.00 2.57 C ATOM 1027 OD1 ASP A 65 -8.510 -6.916 2.622 1.00 3.80 O ATOM 1028 OD2 ASP A 65 -9.649 -5.446 3.719 1.00 2.53 O ATOM 0 H ASP A 65 -5.575 -4.276 0.327 1.00 1.37 H new ATOM 0 HA ASP A 65 -6.796 -5.973 1.166 1.00 1.70 H new ATOM 0 HB2 ASP A 65 -7.795 -3.957 2.592 1.00 2.24 H new ATOM 0 HB3 ASP A 65 -9.185 -4.090 1.533 1.00 2.24 H new ATOM 1033 N GLN A 66 -9.129 -4.891 -0.835 1.00 1.57 N ATOM 1034 CA GLN A 66 -10.058 -5.335 -1.904 1.00 1.86 C ATOM 1035 C GLN A 66 -9.695 -4.873 -3.325 1.00 1.52 C ATOM 1036 O GLN A 66 -9.558 -5.704 -4.201 1.00 1.93 O ATOM 1037 CB GLN A 66 -11.473 -4.830 -1.549 1.00 2.58 C ATOM 1038 CG GLN A 66 -11.417 -3.421 -0.919 1.00 4.12 C ATOM 1039 CD GLN A 66 -12.814 -2.787 -0.958 1.00 5.48 C ATOM 1040 OE1 GLN A 66 -13.776 -3.349 -0.493 1.00 5.87 O ATOM 1041 NE2 GLN A 66 -12.981 -1.618 -1.510 1.00 6.82 N ATOM 0 H GLN A 66 -9.197 -3.904 -0.587 1.00 1.57 H new ATOM 0 HA GLN A 66 -9.994 -6.423 -1.935 1.00 1.86 H new ATOM 0 HB2 GLN A 66 -12.090 -4.806 -2.447 1.00 2.58 H new ATOM 0 HB3 GLN A 66 -11.947 -5.524 -0.855 1.00 2.58 H new ATOM 0 HG2 GLN A 66 -11.064 -3.485 0.110 1.00 4.12 H new ATOM 0 HG3 GLN A 66 -10.707 -2.796 -1.461 1.00 4.12 H new ATOM 0 HE21 GLN A 66 -12.183 -1.124 -1.910 1.00 6.82 H new ATOM 0 HE22 GLN A 66 -13.910 -1.197 -1.542 1.00 6.82 H new ATOM 1050 N GLN A 67 -9.552 -3.591 -3.552 1.00 1.09 N ATOM 1051 CA GLN A 67 -9.254 -3.118 -4.929 1.00 1.20 C ATOM 1052 C GLN A 67 -7.922 -2.374 -5.066 1.00 1.10 C ATOM 1053 O GLN A 67 -7.238 -2.103 -4.091 1.00 1.03 O ATOM 1054 CB GLN A 67 -10.384 -2.163 -5.309 1.00 1.40 C ATOM 1055 CG GLN A 67 -10.328 -0.885 -4.451 1.00 1.60 C ATOM 1056 CD GLN A 67 -11.239 0.179 -5.065 1.00 2.64 C ATOM 1057 OE1 GLN A 67 -12.438 0.165 -4.890 1.00 3.06 O ATOM 1058 NE2 GLN A 67 -10.707 1.100 -5.818 1.00 4.19 N ATOM 0 H GLN A 67 -9.629 -2.859 -2.845 1.00 1.09 H new ATOM 0 HA GLN A 67 -9.176 -3.991 -5.577 1.00 1.20 H new ATOM 0 HB2 GLN A 67 -10.307 -1.902 -6.365 1.00 1.40 H new ATOM 0 HB3 GLN A 67 -11.346 -2.657 -5.172 1.00 1.40 H new ATOM 0 HG2 GLN A 67 -10.643 -1.105 -3.431 1.00 1.60 H new ATOM 0 HG3 GLN A 67 -9.304 -0.515 -4.396 1.00 1.60 H new ATOM 0 HE21 GLN A 67 -9.698 1.116 -5.968 1.00 4.19 H new ATOM 0 HE22 GLN A 67 -11.299 1.805 -6.257 1.00 4.19 H new ATOM 1067 N HIS A 68 -7.625 -2.027 -6.294 1.00 1.24 N ATOM 1068 CA HIS A 68 -6.380 -1.266 -6.572 1.00 1.18 C ATOM 1069 C HIS A 68 -6.651 0.190 -6.177 1.00 1.04 C ATOM 1070 O HIS A 68 -7.767 0.674 -6.317 1.00 1.14 O ATOM 1071 CB HIS A 68 -6.041 -1.329 -8.058 1.00 1.37 C ATOM 1072 CG HIS A 68 -4.899 -0.391 -8.420 1.00 1.37 C ATOM 1073 ND1 HIS A 68 -5.021 0.483 -9.374 1.00 1.42 N ATOM 1074 CD2 HIS A 68 -3.662 -0.205 -7.866 1.00 1.52 C ATOM 1075 CE1 HIS A 68 -3.929 1.200 -9.424 1.00 1.51 C ATOM 1076 NE2 HIS A 68 -3.105 0.776 -8.497 1.00 1.59 N ATOM 0 H HIS A 68 -8.195 -2.241 -7.113 1.00 1.24 H new ATOM 0 HA HIS A 68 -5.543 -1.684 -6.013 1.00 1.18 H new ATOM 0 HB2 HIS A 68 -5.770 -2.350 -8.326 1.00 1.37 H new ATOM 0 HB3 HIS A 68 -6.923 -1.069 -8.643 1.00 1.37 H new ATOM 0 HD1 HIS A 68 -5.833 0.591 -9.982 1.00 1.42 H new ATOM 0 HD2 HIS A 68 -3.232 -0.772 -7.054 1.00 1.52 H new ATOM 0 HE1 HIS A 68 -3.738 2.008 -10.115 1.00 1.51 H new ATOM 1084 N ILE A 69 -5.643 0.862 -5.711 1.00 0.90 N ATOM 1085 CA ILE A 69 -5.833 2.275 -5.273 1.00 0.91 C ATOM 1086 C ILE A 69 -4.990 3.242 -6.116 1.00 1.00 C ATOM 1087 O ILE A 69 -5.350 4.391 -6.281 1.00 1.23 O ATOM 1088 CB ILE A 69 -5.434 2.335 -3.788 1.00 0.96 C ATOM 1089 CG1 ILE A 69 -6.146 1.215 -2.998 1.00 1.01 C ATOM 1090 CG2 ILE A 69 -5.813 3.686 -3.177 1.00 1.03 C ATOM 1091 CD1 ILE A 69 -7.676 1.303 -3.117 1.00 1.07 C ATOM 0 H ILE A 69 -4.695 0.499 -5.613 1.00 0.90 H new ATOM 0 HA ILE A 69 -6.870 2.583 -5.408 1.00 0.91 H new ATOM 0 HB ILE A 69 -4.354 2.203 -3.727 1.00 0.96 H new ATOM 0 HG12 ILE A 69 -5.810 0.245 -3.364 1.00 1.01 H new ATOM 0 HG13 ILE A 69 -5.861 1.276 -1.948 1.00 1.01 H new ATOM 0 HG21 ILE A 69 -5.521 3.705 -2.127 1.00 1.03 H new ATOM 0 HG22 ILE A 69 -5.298 4.484 -3.711 1.00 1.03 H new ATOM 0 HG23 ILE A 69 -6.890 3.832 -3.257 1.00 1.03 H new ATOM 0 HD11 ILE A 69 -8.132 0.495 -2.545 1.00 1.07 H new ATOM 0 HD12 ILE A 69 -8.017 2.262 -2.726 1.00 1.07 H new ATOM 0 HD13 ILE A 69 -7.965 1.215 -4.164 1.00 1.07 H new ATOM 1103 N GLY A 70 -3.883 2.769 -6.604 1.00 0.97 N ATOM 1104 CA GLY A 70 -3.001 3.639 -7.437 1.00 1.20 C ATOM 1105 C GLY A 70 -1.563 3.478 -6.973 1.00 1.17 C ATOM 1106 O GLY A 70 -1.232 2.478 -6.357 1.00 2.14 O ATOM 0 H GLY A 70 -3.546 1.816 -6.465 1.00 0.97 H new ATOM 0 HA2 GLY A 70 -3.089 3.367 -8.489 1.00 1.20 H new ATOM 0 HA3 GLY A 70 -3.310 4.681 -7.350 1.00 1.20 H new ATOM 1110 N GLY A 71 -0.754 4.464 -7.234 1.00 0.97 N ATOM 1111 CA GLY A 71 0.674 4.366 -6.822 1.00 1.15 C ATOM 1112 C GLY A 71 0.870 5.083 -5.494 1.00 1.00 C ATOM 1113 O GLY A 71 -0.089 5.500 -4.873 1.00 1.48 O ATOM 0 H GLY A 71 -1.015 5.327 -7.711 1.00 0.97 H new ATOM 0 HA2 GLY A 71 0.966 3.320 -6.729 1.00 1.15 H new ATOM 0 HA3 GLY A 71 1.315 4.809 -7.585 1.00 1.15 H new ATOM 1117 N TYR A 72 2.111 5.242 -5.099 1.00 1.33 N ATOM 1118 CA TYR A 72 2.365 5.927 -3.800 1.00 1.12 C ATOM 1119 C TYR A 72 1.635 7.267 -3.752 1.00 0.99 C ATOM 1120 O TYR A 72 1.141 7.643 -2.719 1.00 1.11 O ATOM 1121 CB TYR A 72 3.865 6.186 -3.588 1.00 1.24 C ATOM 1122 CG TYR A 72 4.052 6.882 -2.225 1.00 1.07 C ATOM 1123 CD1 TYR A 72 3.453 6.374 -1.082 1.00 1.04 C ATOM 1124 CD2 TYR A 72 4.788 8.046 -2.124 1.00 1.28 C ATOM 1125 CE1 TYR A 72 3.588 7.023 0.132 1.00 1.13 C ATOM 1126 CE2 TYR A 72 4.918 8.694 -0.910 1.00 1.28 C ATOM 1127 CZ TYR A 72 4.321 8.189 0.229 1.00 1.16 C ATOM 1128 OH TYR A 72 4.466 8.832 1.447 1.00 1.41 O ATOM 0 H TYR A 72 2.939 4.934 -5.609 1.00 1.33 H new ATOM 0 HA TYR A 72 1.998 5.269 -3.012 1.00 1.12 H new ATOM 0 HB2 TYR A 72 4.419 5.248 -3.614 1.00 1.24 H new ATOM 0 HB3 TYR A 72 4.259 6.811 -4.390 1.00 1.24 H new ATOM 0 HD1 TYR A 72 2.876 5.463 -1.140 1.00 1.04 H new ATOM 0 HD2 TYR A 72 5.267 8.454 -3.002 1.00 1.28 H new ATOM 0 HE1 TYR A 72 3.115 6.614 1.013 1.00 1.13 H new ATOM 0 HE2 TYR A 72 5.493 9.606 -0.851 1.00 1.28 H new ATOM 0 HH TYR A 72 4.201 8.226 2.170 1.00 1.41 H new ATOM 1138 N THR A 73 1.560 7.953 -4.855 1.00 1.08 N ATOM 1139 CA THR A 73 0.854 9.259 -4.827 1.00 1.11 C ATOM 1140 C THR A 73 -0.624 9.043 -4.499 1.00 1.04 C ATOM 1141 O THR A 73 -1.102 9.496 -3.481 1.00 1.23 O ATOM 1142 CB THR A 73 0.991 9.907 -6.216 1.00 1.37 C ATOM 1143 OG1 THR A 73 0.838 8.819 -7.134 1.00 1.56 O ATOM 1144 CG2 THR A 73 2.412 10.433 -6.457 1.00 1.57 C ATOM 0 H THR A 73 1.948 7.674 -5.756 1.00 1.08 H new ATOM 0 HA THR A 73 1.288 9.906 -4.064 1.00 1.11 H new ATOM 0 HB THR A 73 0.278 10.725 -6.318 1.00 1.37 H new ATOM 0 HG1 THR A 73 0.912 9.153 -8.052 1.00 1.56 H new ATOM 0 HG21 THR A 73 2.470 10.883 -7.448 1.00 1.57 H new ATOM 0 HG22 THR A 73 2.656 11.182 -5.703 1.00 1.57 H new ATOM 0 HG23 THR A 73 3.121 9.608 -6.391 1.00 1.57 H new ATOM 1152 N ASP A 74 -1.289 8.320 -5.350 1.00 0.93 N ATOM 1153 CA ASP A 74 -2.743 8.066 -5.139 1.00 0.84 C ATOM 1154 C ASP A 74 -2.981 7.481 -3.758 1.00 0.72 C ATOM 1155 O ASP A 74 -3.811 7.968 -3.040 1.00 0.73 O ATOM 1156 CB ASP A 74 -3.253 7.095 -6.195 1.00 0.94 C ATOM 1157 CG ASP A 74 -2.724 7.509 -7.563 1.00 1.41 C ATOM 1158 OD1 ASP A 74 -1.576 7.185 -7.816 1.00 2.46 O ATOM 1159 OD2 ASP A 74 -3.476 8.107 -8.301 1.00 2.49 O ATOM 0 H ASP A 74 -0.891 7.892 -6.186 1.00 0.93 H new ATOM 0 HA ASP A 74 -3.279 9.011 -5.221 1.00 0.84 H new ATOM 0 HB2 ASP A 74 -2.929 6.081 -5.959 1.00 0.94 H new ATOM 0 HB3 ASP A 74 -4.343 7.088 -6.202 1.00 0.94 H new ATOM 1164 N PHE A 75 -2.242 6.458 -3.420 1.00 0.69 N ATOM 1165 CA PHE A 75 -2.418 5.837 -2.080 1.00 0.66 C ATOM 1166 C PHE A 75 -2.132 6.881 -1.008 1.00 0.65 C ATOM 1167 O PHE A 75 -2.889 7.040 -0.094 1.00 0.69 O ATOM 1168 CB PHE A 75 -1.455 4.655 -1.929 1.00 0.74 C ATOM 1169 CG PHE A 75 -1.617 4.030 -0.533 1.00 0.70 C ATOM 1170 CD1 PHE A 75 -2.722 3.254 -0.229 1.00 0.75 C ATOM 1171 CD2 PHE A 75 -0.654 4.224 0.439 1.00 0.91 C ATOM 1172 CE1 PHE A 75 -2.850 2.681 1.020 1.00 0.72 C ATOM 1173 CE2 PHE A 75 -0.785 3.650 1.687 1.00 1.04 C ATOM 1174 CZ PHE A 75 -1.884 2.877 1.975 1.00 0.83 C ATOM 0 H PHE A 75 -1.529 6.030 -4.011 1.00 0.69 H new ATOM 0 HA PHE A 75 -3.440 5.475 -1.972 1.00 0.66 H new ATOM 0 HB2 PHE A 75 -1.656 3.909 -2.698 1.00 0.74 H new ATOM 0 HB3 PHE A 75 -0.428 4.990 -2.071 1.00 0.74 H new ATOM 0 HD1 PHE A 75 -3.488 3.096 -0.973 1.00 0.75 H new ATOM 0 HD2 PHE A 75 0.211 4.832 0.219 1.00 0.91 H new ATOM 0 HE1 PHE A 75 -3.715 2.075 1.247 1.00 0.72 H new ATOM 0 HE2 PHE A 75 -0.024 3.808 2.437 1.00 1.04 H new ATOM 0 HZ PHE A 75 -1.987 2.425 2.950 1.00 0.83 H new ATOM 1184 N ALA A 76 -1.055 7.594 -1.162 1.00 0.70 N ATOM 1185 CA ALA A 76 -0.710 8.638 -0.150 1.00 0.79 C ATOM 1186 C ALA A 76 -1.869 9.627 0.014 1.00 0.86 C ATOM 1187 O ALA A 76 -2.385 9.807 1.103 1.00 0.90 O ATOM 1188 CB ALA A 76 0.555 9.375 -0.609 1.00 0.95 C ATOM 0 H ALA A 76 -0.399 7.504 -1.938 1.00 0.70 H new ATOM 0 HA ALA A 76 -0.529 8.164 0.815 1.00 0.79 H new ATOM 0 HB1 ALA A 76 0.816 10.140 0.122 1.00 0.95 H new ATOM 0 HB2 ALA A 76 1.377 8.665 -0.701 1.00 0.95 H new ATOM 0 HB3 ALA A 76 0.372 9.845 -1.575 1.00 0.95 H new ATOM 1194 N ALA A 77 -2.284 10.229 -1.071 1.00 0.94 N ATOM 1195 CA ALA A 77 -3.416 11.206 -0.977 1.00 1.08 C ATOM 1196 C ALA A 77 -4.666 10.465 -0.517 1.00 1.03 C ATOM 1197 O ALA A 77 -5.248 10.804 0.484 1.00 1.10 O ATOM 1198 CB ALA A 77 -3.678 11.842 -2.343 1.00 1.20 C ATOM 0 H ALA A 77 -1.897 10.091 -2.005 1.00 0.94 H new ATOM 0 HA ALA A 77 -3.160 11.991 -0.266 1.00 1.08 H new ATOM 0 HB1 ALA A 77 -4.503 12.550 -2.262 1.00 1.20 H new ATOM 0 HB2 ALA A 77 -2.782 12.365 -2.679 1.00 1.20 H new ATOM 0 HB3 ALA A 77 -3.936 11.065 -3.063 1.00 1.20 H new ATOM 1204 N TRP A 78 -5.047 9.485 -1.284 1.00 0.98 N ATOM 1205 CA TRP A 78 -6.242 8.652 -0.947 1.00 1.00 C ATOM 1206 C TRP A 78 -6.248 8.376 0.564 1.00 0.94 C ATOM 1207 O TRP A 78 -7.198 8.703 1.251 1.00 1.13 O ATOM 1208 CB TRP A 78 -6.138 7.343 -1.748 1.00 1.02 C ATOM 1209 CG TRP A 78 -7.123 6.241 -1.384 1.00 1.04 C ATOM 1210 CD1 TRP A 78 -8.365 6.047 -1.911 1.00 1.11 C ATOM 1211 CD2 TRP A 78 -7.024 5.309 -0.389 1.00 1.06 C ATOM 1212 NE1 TRP A 78 -8.971 5.090 -1.275 1.00 1.14 N ATOM 1213 CE2 TRP A 78 -8.205 4.596 -0.320 1.00 1.10 C ATOM 1214 CE3 TRP A 78 -5.971 5.057 0.467 1.00 1.14 C ATOM 1215 CZ2 TRP A 78 -8.371 3.631 0.639 1.00 1.18 C ATOM 1216 CZ3 TRP A 78 -6.152 4.080 1.428 1.00 1.25 C ATOM 1217 CH2 TRP A 78 -7.341 3.376 1.519 1.00 1.25 C ATOM 0 H TRP A 78 -4.574 9.218 -2.148 1.00 0.98 H new ATOM 0 HA TRP A 78 -7.171 9.162 -1.203 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -6.266 7.579 -2.804 1.00 1.02 H new ATOM 0 HB3 TRP A 78 -5.128 6.950 -1.629 1.00 1.02 H new ATOM 0 HD1 TRP A 78 -8.783 6.606 -2.735 1.00 1.11 H new ATOM 0 HE1 TRP A 78 -9.914 4.763 -1.486 1.00 1.14 H new ATOM 0 HE3 TRP A 78 -5.042 5.602 0.389 1.00 1.14 H new ATOM 0 HZ2 TRP A 78 -9.296 3.078 0.704 1.00 1.18 H new ATOM 0 HZ3 TRP A 78 -5.352 3.862 2.120 1.00 1.25 H new ATOM 0 HH2 TRP A 78 -7.462 2.623 2.284 1.00 1.25 H new ATOM 1228 N VAL A 79 -5.171 7.772 1.025 1.00 0.76 N ATOM 1229 CA VAL A 79 -5.031 7.466 2.477 1.00 0.76 C ATOM 1230 C VAL A 79 -5.558 8.660 3.241 1.00 0.87 C ATOM 1231 O VAL A 79 -6.394 8.534 4.112 1.00 1.00 O ATOM 1232 CB VAL A 79 -3.541 7.232 2.815 1.00 0.72 C ATOM 1233 CG1 VAL A 79 -3.239 7.591 4.279 1.00 0.95 C ATOM 1234 CG2 VAL A 79 -3.181 5.759 2.587 1.00 0.65 C ATOM 0 H VAL A 79 -4.383 7.479 0.448 1.00 0.76 H new ATOM 0 HA VAL A 79 -5.587 6.567 2.744 1.00 0.76 H new ATOM 0 HB VAL A 79 -2.948 7.873 2.163 1.00 0.72 H new ATOM 0 HG11 VAL A 79 -2.183 7.416 4.486 1.00 0.95 H new ATOM 0 HG12 VAL A 79 -3.473 8.641 4.452 1.00 0.95 H new ATOM 0 HG13 VAL A 79 -3.846 6.971 4.938 1.00 0.95 H new ATOM 0 HG21 VAL A 79 -2.130 5.600 2.827 1.00 0.65 H new ATOM 0 HG22 VAL A 79 -3.799 5.130 3.228 1.00 0.65 H new ATOM 0 HG23 VAL A 79 -3.359 5.498 1.544 1.00 0.65 H new ATOM 1244 N LYS A 80 -5.048 9.800 2.877 1.00 0.96 N ATOM 1245 CA LYS A 80 -5.496 11.041 3.548 1.00 1.15 C ATOM 1246 C LYS A 80 -7.015 11.231 3.368 1.00 1.24 C ATOM 1247 O LYS A 80 -7.761 11.243 4.336 1.00 1.61 O ATOM 1248 CB LYS A 80 -4.719 12.226 2.939 1.00 1.22 C ATOM 1249 CG LYS A 80 -4.150 13.144 4.041 1.00 1.51 C ATOM 1250 CD LYS A 80 -4.884 14.502 4.098 1.00 2.32 C ATOM 1251 CE LYS A 80 -6.162 14.407 4.947 1.00 2.10 C ATOM 1252 NZ LYS A 80 -7.301 13.881 4.152 1.00 2.83 N ATOM 0 H LYS A 80 -4.345 9.923 2.148 1.00 0.96 H new ATOM 0 HA LYS A 80 -5.297 10.982 4.618 1.00 1.15 H new ATOM 0 HB2 LYS A 80 -3.905 11.851 2.318 1.00 1.22 H new ATOM 0 HB3 LYS A 80 -5.378 12.800 2.288 1.00 1.22 H new ATOM 0 HG2 LYS A 80 -4.233 12.646 5.007 1.00 1.51 H new ATOM 0 HG3 LYS A 80 -3.088 13.313 3.860 1.00 1.51 H new ATOM 0 HD2 LYS A 80 -4.221 15.259 4.517 1.00 2.32 H new ATOM 0 HD3 LYS A 80 -5.138 14.824 3.088 1.00 2.32 H new ATOM 0 HE2 LYS A 80 -5.984 13.758 5.804 1.00 2.10 H new ATOM 0 HE3 LYS A 80 -6.414 15.392 5.340 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 -8.120 14.513 4.259 1.00 2.83 H new ATOM 0 HZ2 LYS A 80 -7.031 13.831 3.149 1.00 2.83 H new ATOM 0 HZ3 LYS A 80 -7.551 12.930 4.491 1.00 2.83 H new ATOM 1266 N GLU A 81 -7.457 11.348 2.144 1.00 1.33 N ATOM 1267 CA GLU A 81 -8.926 11.568 1.895 1.00 1.41 C ATOM 1268 C GLU A 81 -9.772 10.291 2.051 1.00 1.50 C ATOM 1269 O GLU A 81 -10.749 10.106 1.354 1.00 2.26 O ATOM 1270 CB GLU A 81 -9.099 12.137 0.475 1.00 1.68 C ATOM 1271 CG GLU A 81 -8.856 13.655 0.490 1.00 2.17 C ATOM 1272 CD GLU A 81 -7.413 13.984 0.881 1.00 3.26 C ATOM 1273 OE1 GLU A 81 -6.534 13.351 0.322 1.00 3.84 O ATOM 1274 OE2 GLU A 81 -7.268 14.848 1.733 1.00 4.34 O ATOM 0 H GLU A 81 -6.876 11.302 1.307 1.00 1.33 H new ATOM 0 HA GLU A 81 -9.287 12.266 2.650 1.00 1.41 H new ATOM 0 HB2 GLU A 81 -8.400 11.654 -0.208 1.00 1.68 H new ATOM 0 HB3 GLU A 81 -10.103 11.924 0.107 1.00 1.68 H new ATOM 0 HG2 GLU A 81 -9.072 14.070 -0.495 1.00 2.17 H new ATOM 0 HG3 GLU A 81 -9.542 14.128 1.192 1.00 2.17 H new ATOM 1281 N ASN A 82 -9.342 9.427 2.918 1.00 1.28 N ATOM 1282 CA ASN A 82 -10.104 8.163 3.181 1.00 1.30 C ATOM 1283 C ASN A 82 -10.000 7.766 4.652 1.00 1.26 C ATOM 1284 O ASN A 82 -10.953 7.294 5.240 1.00 1.37 O ATOM 1285 CB ASN A 82 -9.556 7.013 2.326 1.00 1.48 C ATOM 1286 CG ASN A 82 -10.077 7.143 0.897 1.00 1.52 C ATOM 1287 OD1 ASN A 82 -9.580 8.068 0.143 1.00 1.74 O flip ATOM 1288 ND2 ASN A 82 -10.943 6.404 0.462 1.00 1.77 N flip ATOM 0 H ASN A 82 -8.488 9.535 3.466 1.00 1.28 H new ATOM 0 HA ASN A 82 -11.147 8.349 2.924 1.00 1.30 H new ATOM 0 HB2 ASN A 82 -8.466 7.031 2.329 1.00 1.48 H new ATOM 0 HB3 ASN A 82 -9.860 6.055 2.749 1.00 1.48 H new ATOM 0 HD21 ASN A 82 -11.336 5.674 1.056 1.00 1.77 H new ATOM 0 HD22 ASN A 82 -11.275 6.516 -0.496 1.00 1.77 H new ATOM 1295 N LEU A 83 -8.835 7.934 5.208 1.00 1.19 N ATOM 1296 CA LEU A 83 -8.651 7.542 6.629 1.00 1.29 C ATOM 1297 C LEU A 83 -8.821 8.738 7.561 1.00 1.46 C ATOM 1298 O LEU A 83 -9.167 8.549 8.714 1.00 1.56 O ATOM 1299 CB LEU A 83 -7.260 6.910 6.777 1.00 1.23 C ATOM 1300 CG LEU A 83 -7.104 5.763 5.757 1.00 1.07 C ATOM 1301 CD1 LEU A 83 -5.800 5.026 6.020 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -8.258 4.761 5.877 1.00 1.13 C ATOM 0 H LEU A 83 -8.012 8.321 4.746 1.00 1.19 H new ATOM 0 HA LEU A 83 -9.415 6.818 6.913 1.00 1.29 H new ATOM 0 HB2 LEU A 83 -6.488 7.662 6.615 1.00 1.23 H new ATOM 0 HB3 LEU A 83 -7.127 6.530 7.790 1.00 1.23 H new ATOM 0 HG LEU A 83 -7.108 6.196 4.757 1.00 1.07 H new ATOM 0 HD11 LEU A 83 -5.689 4.215 5.300 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -4.964 5.718 5.919 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -5.811 4.615 7.030 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -8.124 3.963 5.147 1.00 1.13 H new ATOM 0 HD22 LEU A 83 -8.269 4.337 6.881 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -9.203 5.270 5.688 1.00 1.13 H new ATOM 1314 N ASP A 84 -8.569 9.931 7.061 1.00 1.74 N ATOM 1315 CA ASP A 84 -8.741 11.154 7.920 1.00 1.96 C ATOM 1316 C ASP A 84 -10.144 11.692 7.660 1.00 2.38 C ATOM 1317 O ASP A 84 -10.833 12.132 8.556 1.00 2.92 O ATOM 1318 CB ASP A 84 -7.720 12.235 7.538 1.00 2.63 C ATOM 1319 CG ASP A 84 -6.293 11.699 7.643 1.00 3.10 C ATOM 1320 OD1 ASP A 84 -5.915 11.350 8.748 1.00 3.33 O ATOM 1321 OD2 ASP A 84 -5.661 11.677 6.611 1.00 4.10 O ATOM 0 H ASP A 84 -8.255 10.109 6.107 1.00 1.74 H new ATOM 0 HA ASP A 84 -8.592 10.896 8.968 1.00 1.96 H new ATOM 0 HB2 ASP A 84 -7.910 12.577 6.521 1.00 2.63 H new ATOM 0 HB3 ASP A 84 -7.837 13.099 8.192 1.00 2.63 H new