USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 9 SER OG : rot 172:sc= 1.39 USER MOD Set 1.2: A 14 SER OG : rot -53:sc= 0.452 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.234 (180deg=-0.355) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.367 (180deg=0.308) USER MOD Single : A 2 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.5!) USER MOD Single : A 3 THR OG1 : rot 118:sc= 1.27 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.00551 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= 0.923 (180deg=0.483) USER MOD Single : A 25 SER OG : rot 67:sc= 0.848 USER MOD Single : A 26 ASN : amide:sc= 0.517 K(o=0.52,f=-0.0095) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 33 TYR OH : rot -2:sc= 1.28 USER MOD Single : A 34 GLN : amide:sc= 0.192 X(o=0.19,f=-0.054) USER MOD Single : A 35 TYR OH : rot 118:sc= 1.67 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.884 USER MOD Single : A 45 LYS NZ :NH3+ 132:sc= 1.71 (180deg=-1.16) USER MOD Single : A 49 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.39) USER MOD Single : A 50 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.28) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.693 (180deg=-1.49!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 61 GLN : amide:sc= -0.51 K(o=-0.51,f=-3.4!) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 68 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.131) USER MOD Single : A 82 ASN : amide:sc= 0.399 K(o=0.4,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.469 2.142 10.947 1.00 1.72 N ATOM 2 CA MET A 1 8.974 1.627 9.651 1.00 1.21 C ATOM 3 C MET A 1 8.517 2.803 8.782 1.00 1.07 C ATOM 4 O MET A 1 8.441 3.917 9.297 1.00 1.68 O ATOM 5 CB MET A 1 7.841 0.603 9.798 1.00 1.34 C ATOM 6 CG MET A 1 8.097 -0.489 10.839 1.00 1.63 C ATOM 7 SD MET A 1 6.995 -1.917 10.702 1.00 2.23 S ATOM 8 CE MET A 1 5.398 -1.122 10.434 1.00 2.61 C ATOM 0 H1 MET A 1 9.874 1.360 11.500 1.00 1.72 H new ATOM 0 H2 MET A 1 10.201 2.861 10.778 1.00 1.72 H new ATOM 0 H3 MET A 1 8.681 2.567 11.475 1.00 1.72 H new ATOM 0 HA MET A 1 9.801 1.099 9.175 1.00 1.21 H new ATOM 0 HB2 MET A 1 6.925 1.131 10.063 1.00 1.34 H new ATOM 0 HB3 MET A 1 7.669 0.131 8.831 1.00 1.34 H new ATOM 0 HG2 MET A 1 9.128 -0.830 10.746 1.00 1.63 H new ATOM 0 HG3 MET A 1 7.993 -0.058 11.835 1.00 1.63 H new ATOM 0 HE1 MET A 1 4.617 -1.881 10.385 1.00 2.61 H new ATOM 0 HE2 MET A 1 5.189 -0.439 11.257 1.00 2.61 H new ATOM 0 HE3 MET A 1 5.421 -0.565 9.497 1.00 2.61 H new ATOM 20 N GLN A 2 8.150 2.581 7.518 1.00 0.67 N ATOM 21 CA GLN A 2 7.579 3.621 6.664 1.00 0.57 C ATOM 22 C GLN A 2 6.732 2.988 5.567 1.00 0.56 C ATOM 23 O GLN A 2 7.217 2.140 4.823 1.00 0.86 O ATOM 24 CB GLN A 2 8.711 4.460 6.057 1.00 0.67 C ATOM 25 CG GLN A 2 8.183 5.791 5.510 1.00 0.85 C ATOM 26 CD GLN A 2 7.934 6.829 6.594 1.00 1.85 C ATOM 27 OE1 GLN A 2 7.922 6.522 7.784 1.00 3.59 O ATOM 28 NE2 GLN A 2 7.767 8.082 6.198 1.00 1.94 N ATOM 0 H GLN A 2 8.241 1.675 7.059 1.00 0.67 H new ATOM 0 HA GLN A 2 6.938 4.271 7.259 1.00 0.57 H new ATOM 0 HB2 GLN A 2 9.472 4.651 6.814 1.00 0.67 H new ATOM 0 HB3 GLN A 2 9.193 3.900 5.255 1.00 0.67 H new ATOM 0 HG2 GLN A 2 8.899 6.190 4.791 1.00 0.85 H new ATOM 0 HG3 GLN A 2 7.254 5.611 4.969 1.00 0.85 H new ATOM 0 HE21 GLN A 2 7.781 8.309 5.204 1.00 1.94 H new ATOM 0 HE22 GLN A 2 7.624 8.820 6.887 1.00 1.94 H new ATOM 37 N THR A 3 5.475 3.405 5.454 1.00 0.66 N ATOM 38 CA THR A 3 4.543 2.893 4.461 1.00 0.67 C ATOM 39 C THR A 3 4.436 3.871 3.282 1.00 0.67 C ATOM 40 O THR A 3 4.573 5.077 3.469 1.00 1.18 O ATOM 41 CB THR A 3 3.218 2.619 5.180 1.00 0.75 C ATOM 42 OG1 THR A 3 3.462 1.768 6.282 1.00 0.94 O ATOM 43 CG2 THR A 3 2.164 1.960 4.295 1.00 0.91 C ATOM 0 H THR A 3 5.071 4.119 6.060 1.00 0.66 H new ATOM 0 HA THR A 3 4.883 1.957 4.017 1.00 0.67 H new ATOM 0 HB THR A 3 2.825 3.589 5.486 1.00 0.75 H new ATOM 0 HG1 THR A 3 3.226 2.232 7.112 1.00 0.94 H new ATOM 0 HG21 THR A 3 1.254 1.797 4.873 1.00 0.91 H new ATOM 0 HG22 THR A 3 1.944 2.608 3.447 1.00 0.91 H new ATOM 0 HG23 THR A 3 2.540 1.003 3.933 1.00 0.91 H new ATOM 51 N VAL A 4 4.193 3.375 2.070 1.00 0.70 N ATOM 52 CA VAL A 4 3.972 4.188 0.882 1.00 0.64 C ATOM 53 C VAL A 4 2.681 3.685 0.231 1.00 0.73 C ATOM 54 O VAL A 4 2.495 2.472 0.189 1.00 0.85 O ATOM 55 CB VAL A 4 5.166 4.096 -0.081 1.00 0.72 C ATOM 56 CG1 VAL A 4 5.046 5.181 -1.157 1.00 0.76 C ATOM 57 CG2 VAL A 4 6.502 4.273 0.653 1.00 0.80 C ATOM 0 H VAL A 4 4.144 2.373 1.886 1.00 0.70 H new ATOM 0 HA VAL A 4 3.877 5.242 1.145 1.00 0.64 H new ATOM 0 HB VAL A 4 5.149 3.104 -0.533 1.00 0.72 H new ATOM 0 HG11 VAL A 4 5.894 5.113 -1.838 1.00 0.76 H new ATOM 0 HG12 VAL A 4 4.120 5.039 -1.715 1.00 0.76 H new ATOM 0 HG13 VAL A 4 5.038 6.163 -0.684 1.00 0.76 H new ATOM 0 HG21 VAL A 4 7.322 4.202 -0.062 1.00 0.80 H new ATOM 0 HG22 VAL A 4 6.525 5.250 1.136 1.00 0.80 H new ATOM 0 HG23 VAL A 4 6.609 3.493 1.407 1.00 0.80 H new ATOM 67 N ILE A 5 1.795 4.556 -0.263 1.00 0.71 N ATOM 68 CA ILE A 5 0.562 4.159 -0.945 1.00 0.73 C ATOM 69 C ILE A 5 0.779 4.537 -2.403 1.00 0.52 C ATOM 70 O ILE A 5 1.028 5.708 -2.673 1.00 0.64 O ATOM 71 CB ILE A 5 -0.687 4.903 -0.414 1.00 0.99 C ATOM 72 CG1 ILE A 5 -0.677 5.285 1.072 1.00 1.63 C ATOM 73 CG2 ILE A 5 -1.985 4.174 -0.786 1.00 0.87 C ATOM 74 CD1 ILE A 5 -0.589 4.130 2.065 1.00 1.28 C ATOM 0 H ILE A 5 1.916 5.567 -0.199 1.00 0.71 H new ATOM 0 HA ILE A 5 0.373 3.097 -0.787 1.00 0.73 H new ATOM 0 HB ILE A 5 -0.643 5.861 -0.933 1.00 0.99 H new ATOM 0 HG12 ILE A 5 0.166 5.953 1.248 1.00 1.63 H new ATOM 0 HG13 ILE A 5 -1.583 5.852 1.286 1.00 1.63 H new ATOM 0 HG21 ILE A 5 -2.838 4.728 -0.395 1.00 0.87 H new ATOM 0 HG22 ILE A 5 -2.064 4.103 -1.871 1.00 0.87 H new ATOM 0 HG23 ILE A 5 -1.975 3.172 -0.357 1.00 0.87 H new ATOM 0 HD11 ILE A 5 -0.590 4.523 3.082 1.00 1.28 H new ATOM 0 HD12 ILE A 5 -1.445 3.469 1.931 1.00 1.28 H new ATOM 0 HD13 ILE A 5 0.331 3.571 1.893 1.00 1.28 H new ATOM 86 N PHE A 6 0.709 3.592 -3.332 1.00 0.56 N ATOM 87 CA PHE A 6 0.907 3.853 -4.736 1.00 0.53 C ATOM 88 C PHE A 6 -0.458 3.906 -5.414 1.00 0.83 C ATOM 89 O PHE A 6 -1.138 2.879 -5.503 1.00 1.14 O ATOM 90 CB PHE A 6 1.733 2.710 -5.325 1.00 0.61 C ATOM 91 CG PHE A 6 3.240 2.878 -5.267 1.00 0.68 C ATOM 92 CD1 PHE A 6 3.897 2.908 -4.024 1.00 1.48 C ATOM 93 CD2 PHE A 6 3.994 2.953 -6.455 1.00 1.24 C ATOM 94 CE1 PHE A 6 5.298 2.992 -3.972 1.00 1.75 C ATOM 95 CE2 PHE A 6 5.395 3.048 -6.402 1.00 1.47 C ATOM 96 CZ PHE A 6 6.046 3.071 -5.158 1.00 1.40 C ATOM 0 H PHE A 6 0.510 2.614 -3.120 1.00 0.56 H new ATOM 0 HA PHE A 6 1.427 4.799 -4.888 1.00 0.53 H new ATOM 0 HB2 PHE A 6 1.470 1.791 -4.802 1.00 0.61 H new ATOM 0 HB3 PHE A 6 1.442 2.578 -6.367 1.00 0.61 H new ATOM 0 HD1 PHE A 6 3.324 2.866 -3.109 1.00 1.48 H new ATOM 0 HD2 PHE A 6 3.492 2.937 -7.411 1.00 1.24 H new ATOM 0 HE1 PHE A 6 5.802 2.996 -3.017 1.00 1.75 H new ATOM 0 HE2 PHE A 6 5.969 3.103 -7.315 1.00 1.47 H new ATOM 0 HZ PHE A 6 7.122 3.149 -5.113 1.00 1.40 H new ATOM 106 N GLY A 7 -0.835 5.063 -5.953 1.00 1.07 N ATOM 107 CA GLY A 7 -1.990 5.171 -6.830 1.00 1.57 C ATOM 108 C GLY A 7 -3.300 4.945 -6.080 1.00 1.02 C ATOM 109 O GLY A 7 -3.367 5.114 -4.862 1.00 2.31 O ATOM 0 H GLY A 7 -0.349 5.946 -5.793 1.00 1.07 H new ATOM 0 HA2 GLY A 7 -2.003 6.158 -7.293 1.00 1.57 H new ATOM 0 HA3 GLY A 7 -1.903 4.442 -7.636 1.00 1.57 H new ATOM 113 N ARG A 8 -4.381 4.626 -6.796 1.00 1.21 N ATOM 114 CA ARG A 8 -5.723 4.626 -6.229 1.00 1.59 C ATOM 115 C ARG A 8 -6.598 3.596 -6.921 1.00 1.91 C ATOM 116 O ARG A 8 -6.511 3.407 -8.132 1.00 3.03 O ATOM 117 CB ARG A 8 -6.352 6.012 -6.423 1.00 3.10 C ATOM 118 CG ARG A 8 -7.651 6.269 -5.645 1.00 4.45 C ATOM 119 CD ARG A 8 -7.521 6.017 -4.136 1.00 5.61 C ATOM 120 NE ARG A 8 -8.328 6.970 -3.352 1.00 6.93 N ATOM 121 CZ ARG A 8 -7.862 8.027 -2.663 1.00 7.92 C ATOM 122 NH1 ARG A 8 -6.617 8.470 -2.824 1.00 7.92 N ATOM 123 NH2 ARG A 8 -8.645 8.613 -1.766 1.00 9.30 N ATOM 0 H ARG A 8 -4.347 4.362 -7.781 1.00 1.21 H new ATOM 0 HA ARG A 8 -5.652 4.381 -5.169 1.00 1.59 H new ATOM 0 HB2 ARG A 8 -5.621 6.766 -6.132 1.00 3.10 H new ATOM 0 HB3 ARG A 8 -6.552 6.154 -7.485 1.00 3.10 H new ATOM 0 HG2 ARG A 8 -7.965 7.300 -5.807 1.00 4.45 H new ATOM 0 HG3 ARG A 8 -8.438 5.630 -6.046 1.00 4.45 H new ATOM 0 HD2 ARG A 8 -7.837 4.999 -3.909 1.00 5.61 H new ATOM 0 HD3 ARG A 8 -6.474 6.099 -3.842 1.00 5.61 H new ATOM 0 HE ARG A 8 -9.336 6.813 -3.330 1.00 6.93 H new ATOM 0 HH11 ARG A 8 -5.992 8.006 -3.482 1.00 7.92 H new ATOM 0 HH12 ARG A 8 -6.289 9.274 -2.289 1.00 7.92 H new ATOM 0 HH21 ARG A 8 -9.589 8.261 -1.605 1.00 9.30 H new ATOM 0 HH22 ARG A 8 -8.303 9.415 -1.237 1.00 9.30 H new ATOM 137 N SER A 9 -7.490 2.987 -6.158 1.00 2.42 N ATOM 138 CA SER A 9 -8.632 2.245 -6.640 1.00 3.44 C ATOM 139 C SER A 9 -9.776 3.220 -6.874 1.00 2.14 C ATOM 140 O SER A 9 -10.156 3.490 -8.007 1.00 2.84 O ATOM 141 CB SER A 9 -8.987 1.260 -5.527 1.00 5.39 C ATOM 142 OG SER A 9 -8.807 1.933 -4.284 1.00 5.66 O ATOM 0 H SER A 9 -7.431 3.000 -5.140 1.00 2.42 H new ATOM 0 HA SER A 9 -8.433 1.720 -7.574 1.00 3.44 H new ATOM 0 HB2 SER A 9 -10.017 0.918 -5.632 1.00 5.39 H new ATOM 0 HB3 SER A 9 -8.351 0.376 -5.580 1.00 5.39 H new ATOM 0 HG SER A 9 -9.144 1.370 -3.556 1.00 5.66 H new ATOM 148 N GLY A 10 -10.332 3.725 -5.775 1.00 1.91 N ATOM 149 CA GLY A 10 -11.592 4.448 -5.751 1.00 2.29 C ATOM 150 C GLY A 10 -12.704 3.552 -5.203 1.00 2.23 C ATOM 151 O GLY A 10 -13.702 4.050 -4.683 1.00 3.72 O ATOM 0 H GLY A 10 -9.903 3.638 -4.854 1.00 1.91 H new ATOM 0 HA2 GLY A 10 -11.496 5.340 -5.133 1.00 2.29 H new ATOM 0 HA3 GLY A 10 -11.847 4.783 -6.756 1.00 2.29 H new ATOM 155 N CYS A 11 -12.523 2.232 -5.280 1.00 1.28 N ATOM 156 CA CYS A 11 -13.476 1.252 -4.774 1.00 1.09 C ATOM 157 C CYS A 11 -13.370 1.272 -3.245 1.00 1.02 C ATOM 158 O CYS A 11 -12.260 1.106 -2.739 1.00 1.13 O ATOM 159 CB CYS A 11 -13.120 -0.165 -5.266 1.00 1.26 C ATOM 160 SG CYS A 11 -12.694 -0.394 -7.006 1.00 1.92 S ATOM 0 H CYS A 11 -11.696 1.811 -5.703 1.00 1.28 H new ATOM 0 HA CYS A 11 -14.479 1.498 -5.122 1.00 1.09 H new ATOM 0 HB2 CYS A 11 -12.280 -0.521 -4.670 1.00 1.26 H new ATOM 0 HB3 CYS A 11 -13.966 -0.815 -5.044 1.00 1.26 H new ATOM 0 HG CYS A 11 -12.425 -1.647 -7.226 1.00 1.92 H new ATOM 165 N PRO A 12 -14.458 1.450 -2.484 1.00 1.07 N ATOM 166 CA PRO A 12 -14.401 1.560 -1.028 1.00 1.07 C ATOM 167 C PRO A 12 -13.668 0.375 -0.390 1.00 1.06 C ATOM 168 O PRO A 12 -12.812 0.547 0.476 1.00 1.09 O ATOM 169 CB PRO A 12 -15.859 1.663 -0.561 1.00 1.26 C ATOM 170 CG PRO A 12 -16.678 1.143 -1.742 1.00 1.41 C ATOM 171 CD PRO A 12 -15.826 1.509 -2.955 1.00 1.31 C ATOM 0 HA PRO A 12 -13.829 2.435 -0.719 1.00 1.07 H new ATOM 0 HB2 PRO A 12 -16.032 1.066 0.335 1.00 1.26 H new ATOM 0 HB3 PRO A 12 -16.125 2.691 -0.316 1.00 1.26 H new ATOM 0 HG2 PRO A 12 -16.840 0.067 -1.675 1.00 1.41 H new ATOM 0 HG3 PRO A 12 -17.661 1.611 -1.786 1.00 1.41 H new ATOM 0 HD2 PRO A 12 -15.991 0.813 -3.777 1.00 1.31 H new ATOM 0 HD3 PRO A 12 -16.073 2.504 -3.325 1.00 1.31 H new ATOM 179 N TYR A 13 -13.973 -0.830 -0.867 1.00 1.18 N ATOM 180 CA TYR A 13 -13.439 -2.070 -0.330 1.00 1.44 C ATOM 181 C TYR A 13 -11.911 -2.052 -0.267 1.00 1.49 C ATOM 182 O TYR A 13 -11.303 -2.357 0.750 1.00 1.78 O ATOM 183 CB TYR A 13 -13.933 -3.209 -1.228 1.00 1.64 C ATOM 184 CG TYR A 13 -13.367 -4.580 -0.924 1.00 1.45 C ATOM 185 CD1 TYR A 13 -13.171 -5.006 0.404 1.00 1.75 C ATOM 186 CD2 TYR A 13 -13.074 -5.453 -1.986 1.00 2.68 C ATOM 187 CE1 TYR A 13 -12.641 -6.280 0.660 1.00 2.04 C ATOM 188 CE2 TYR A 13 -12.640 -6.759 -1.718 1.00 3.10 C ATOM 189 CZ TYR A 13 -12.404 -7.169 -0.398 1.00 2.37 C ATOM 190 OH TYR A 13 -11.947 -8.426 -0.147 1.00 3.08 O ATOM 0 H TYR A 13 -14.610 -0.969 -1.651 1.00 1.18 H new ATOM 0 HA TYR A 13 -13.785 -2.206 0.694 1.00 1.44 H new ATOM 0 HB2 TYR A 13 -15.019 -3.260 -1.153 1.00 1.64 H new ATOM 0 HB3 TYR A 13 -13.696 -2.960 -2.262 1.00 1.64 H new ATOM 0 HD1 TYR A 13 -13.428 -4.353 1.225 1.00 1.75 H new ATOM 0 HD2 TYR A 13 -13.183 -5.118 -3.007 1.00 2.68 H new ATOM 0 HE1 TYR A 13 -12.415 -6.576 1.674 1.00 2.04 H new ATOM 0 HE2 TYR A 13 -12.487 -7.452 -2.532 1.00 3.10 H new ATOM 0 HH TYR A 13 -11.838 -8.909 -0.992 1.00 3.08 H new ATOM 200 N SER A 14 -11.266 -1.705 -1.373 1.00 1.36 N ATOM 201 CA SER A 14 -9.836 -1.699 -1.479 1.00 1.62 C ATOM 202 C SER A 14 -9.251 -0.537 -0.667 1.00 1.40 C ATOM 203 O SER A 14 -8.227 -0.676 -0.007 1.00 1.46 O ATOM 204 CB SER A 14 -9.614 -1.481 -2.958 1.00 1.75 C ATOM 205 OG SER A 14 -10.041 -0.223 -3.410 1.00 2.18 O ATOM 0 H SER A 14 -11.741 -1.417 -2.228 1.00 1.36 H new ATOM 0 HA SER A 14 -9.363 -2.605 -1.100 1.00 1.62 H new ATOM 0 HB2 SER A 14 -8.553 -1.596 -3.179 1.00 1.75 H new ATOM 0 HB3 SER A 14 -10.141 -2.256 -3.514 1.00 1.75 H new ATOM 0 HG SER A 14 -10.973 -0.079 -3.144 1.00 2.18 H new ATOM 211 N VAL A 15 -9.896 0.630 -0.780 1.00 1.13 N ATOM 212 CA VAL A 15 -9.562 1.878 -0.080 1.00 0.96 C ATOM 213 C VAL A 15 -9.402 1.655 1.424 1.00 0.73 C ATOM 214 O VAL A 15 -8.592 2.351 2.040 1.00 0.64 O ATOM 215 CB VAL A 15 -10.597 2.976 -0.412 1.00 0.96 C ATOM 216 CG1 VAL A 15 -10.576 4.155 0.570 1.00 1.11 C ATOM 217 CG2 VAL A 15 -10.367 3.534 -1.822 1.00 1.05 C ATOM 0 H VAL A 15 -10.705 0.736 -1.392 1.00 1.13 H new ATOM 0 HA VAL A 15 -8.593 2.226 -0.438 1.00 0.96 H new ATOM 0 HB VAL A 15 -11.567 2.485 -0.337 1.00 0.96 H new ATOM 0 HG11 VAL A 15 -11.328 4.887 0.276 1.00 1.11 H new ATOM 0 HG12 VAL A 15 -10.794 3.795 1.575 1.00 1.11 H new ATOM 0 HG13 VAL A 15 -9.591 4.621 0.557 1.00 1.11 H new ATOM 0 HG21 VAL A 15 -11.108 4.305 -2.033 1.00 1.05 H new ATOM 0 HG22 VAL A 15 -9.367 3.964 -1.885 1.00 1.05 H new ATOM 0 HG23 VAL A 15 -10.462 2.730 -2.552 1.00 1.05 H new ATOM 227 N ARG A 16 -10.099 0.670 2.000 1.00 0.75 N ATOM 228 CA ARG A 16 -9.825 0.193 3.352 1.00 0.68 C ATOM 229 C ARG A 16 -8.318 0.151 3.641 1.00 0.54 C ATOM 230 O ARG A 16 -7.899 0.521 4.726 1.00 0.49 O ATOM 231 CB ARG A 16 -10.412 -1.208 3.566 1.00 0.84 C ATOM 232 CG ARG A 16 -11.946 -1.303 3.495 1.00 1.37 C ATOM 233 CD ARG A 16 -12.649 -0.508 4.596 1.00 1.96 C ATOM 234 NE ARG A 16 -12.173 -0.889 5.938 1.00 2.07 N ATOM 235 CZ ARG A 16 -11.502 -0.077 6.772 1.00 3.53 C ATOM 236 NH1 ARG A 16 -11.590 1.247 6.636 1.00 4.82 N ATOM 237 NH2 ARG A 16 -10.725 -0.610 7.711 1.00 4.51 N ATOM 0 H ARG A 16 -10.868 0.184 1.539 1.00 0.75 H new ATOM 0 HA ARG A 16 -10.297 0.897 4.038 1.00 0.68 H new ATOM 0 HB2 ARG A 16 -9.989 -1.878 2.817 1.00 0.84 H new ATOM 0 HB3 ARG A 16 -10.088 -1.574 4.540 1.00 0.84 H new ATOM 0 HG2 ARG A 16 -12.282 -0.941 2.523 1.00 1.37 H new ATOM 0 HG3 ARG A 16 -12.243 -2.350 3.565 1.00 1.37 H new ATOM 0 HD2 ARG A 16 -12.479 0.557 4.439 1.00 1.96 H new ATOM 0 HD3 ARG A 16 -13.725 -0.672 4.532 1.00 1.96 H new ATOM 0 HE ARG A 16 -12.367 -1.838 6.257 1.00 2.07 H new ATOM 0 HH11 ARG A 16 -12.168 1.646 5.897 1.00 4.82 H new ATOM 0 HH12 ARG A 16 -11.079 1.860 7.271 1.00 4.82 H new ATOM 0 HH21 ARG A 16 -10.644 -1.624 7.791 1.00 4.51 H new ATOM 0 HH22 ARG A 16 -10.210 -0.005 8.351 1.00 4.51 H new ATOM 251 N ALA A 17 -7.495 -0.281 2.684 1.00 0.65 N ATOM 252 CA ALA A 17 -6.047 -0.318 2.829 1.00 0.56 C ATOM 253 C ALA A 17 -5.457 1.049 3.195 1.00 0.49 C ATOM 254 O ALA A 17 -4.608 1.147 4.080 1.00 0.44 O ATOM 255 CB ALA A 17 -5.407 -0.805 1.527 1.00 0.59 C ATOM 0 H ALA A 17 -7.823 -0.618 1.779 1.00 0.65 H new ATOM 0 HA ALA A 17 -5.827 -1.005 3.646 1.00 0.56 H new ATOM 0 HB1 ALA A 17 -4.323 -0.831 1.642 1.00 0.59 H new ATOM 0 HB2 ALA A 17 -5.771 -1.806 1.295 1.00 0.59 H new ATOM 0 HB3 ALA A 17 -5.670 -0.126 0.716 1.00 0.59 H new ATOM 261 N LYS A 18 -5.856 2.100 2.473 1.00 0.55 N ATOM 262 CA LYS A 18 -5.287 3.425 2.675 1.00 0.53 C ATOM 263 C LYS A 18 -5.706 3.841 4.080 1.00 0.47 C ATOM 264 O LYS A 18 -4.882 4.267 4.887 1.00 0.51 O ATOM 265 CB LYS A 18 -5.825 4.432 1.651 1.00 0.64 C ATOM 266 CG LYS A 18 -5.454 5.858 2.108 1.00 0.86 C ATOM 267 CD LYS A 18 -5.884 6.898 1.082 1.00 1.33 C ATOM 268 CE LYS A 18 -7.380 7.228 1.222 1.00 2.58 C ATOM 269 NZ LYS A 18 -7.634 8.629 1.618 1.00 2.51 N ATOM 0 H LYS A 18 -6.570 2.054 1.746 1.00 0.55 H new ATOM 0 HA LYS A 18 -4.204 3.404 2.552 1.00 0.53 H new ATOM 0 HB2 LYS A 18 -5.403 4.230 0.667 1.00 0.64 H new ATOM 0 HB3 LYS A 18 -6.907 4.335 1.560 1.00 0.64 H new ATOM 0 HG2 LYS A 18 -5.930 6.070 3.065 1.00 0.86 H new ATOM 0 HG3 LYS A 18 -4.377 5.923 2.265 1.00 0.86 H new ATOM 0 HD2 LYS A 18 -5.295 7.806 1.211 1.00 1.33 H new ATOM 0 HD3 LYS A 18 -5.683 6.527 0.077 1.00 1.33 H new ATOM 0 HE2 LYS A 18 -7.879 7.029 0.274 1.00 2.58 H new ATOM 0 HE3 LYS A 18 -7.824 6.562 1.962 1.00 2.58 H new ATOM 0 HZ1 LYS A 18 -8.659 8.788 1.695 1.00 2.51 H new ATOM 0 HZ2 LYS A 18 -7.184 8.817 2.537 1.00 2.51 H new ATOM 0 HZ3 LYS A 18 -7.238 9.270 0.901 1.00 2.51 H new ATOM 283 N ASP A 19 -7.017 3.759 4.325 1.00 0.44 N ATOM 284 CA ASP A 19 -7.605 4.136 5.602 1.00 0.51 C ATOM 285 C ASP A 19 -6.865 3.451 6.746 1.00 0.51 C ATOM 286 O ASP A 19 -6.514 4.076 7.739 1.00 0.58 O ATOM 287 CB ASP A 19 -9.082 3.743 5.628 1.00 0.62 C ATOM 288 CG ASP A 19 -9.660 4.033 6.993 1.00 0.92 C ATOM 289 OD1 ASP A 19 -9.856 5.221 7.310 1.00 1.97 O ATOM 290 OD2 ASP A 19 -9.886 3.062 7.744 1.00 1.74 O ATOM 0 H ASP A 19 -7.696 3.428 3.639 1.00 0.44 H new ATOM 0 HA ASP A 19 -7.519 5.216 5.725 1.00 0.51 H new ATOM 0 HB2 ASP A 19 -9.629 4.297 4.865 1.00 0.62 H new ATOM 0 HB3 ASP A 19 -9.191 2.684 5.393 1.00 0.62 H new ATOM 295 N LEU A 20 -6.614 2.159 6.571 1.00 0.49 N ATOM 296 CA LEU A 20 -5.911 1.319 7.521 1.00 0.50 C ATOM 297 C LEU A 20 -4.515 1.875 7.774 1.00 0.39 C ATOM 298 O LEU A 20 -4.153 2.085 8.926 1.00 0.41 O ATOM 299 CB LEU A 20 -5.884 -0.120 6.995 1.00 0.60 C ATOM 300 CG LEU A 20 -5.309 -1.181 7.944 1.00 0.70 C ATOM 301 CD1 LEU A 20 -6.008 -1.162 9.307 1.00 1.85 C ATOM 302 CD2 LEU A 20 -5.543 -2.555 7.304 1.00 1.68 C ATOM 0 H LEU A 20 -6.906 1.654 5.734 1.00 0.49 H new ATOM 0 HA LEU A 20 -6.428 1.313 8.480 1.00 0.50 H new ATOM 0 HB2 LEU A 20 -6.903 -0.409 6.736 1.00 0.60 H new ATOM 0 HB3 LEU A 20 -5.304 -0.136 6.072 1.00 0.60 H new ATOM 0 HG LEU A 20 -4.250 -0.974 8.101 1.00 0.70 H new ATOM 0 HD11 LEU A 20 -5.573 -1.927 9.950 1.00 1.85 H new ATOM 0 HD12 LEU A 20 -5.878 -0.183 9.769 1.00 1.85 H new ATOM 0 HD13 LEU A 20 -7.071 -1.362 9.174 1.00 1.85 H new ATOM 0 HD21 LEU A 20 -5.145 -3.333 7.956 1.00 1.68 H new ATOM 0 HD22 LEU A 20 -6.612 -2.713 7.162 1.00 1.68 H new ATOM 0 HD23 LEU A 20 -5.039 -2.597 6.339 1.00 1.68 H new ATOM 314 N ALA A 21 -3.722 2.121 6.727 1.00 0.34 N ATOM 315 CA ALA A 21 -2.385 2.688 6.913 1.00 0.36 C ATOM 316 C ALA A 21 -2.456 4.006 7.676 1.00 0.37 C ATOM 317 O ALA A 21 -1.696 4.217 8.622 1.00 0.39 O ATOM 318 CB ALA A 21 -1.702 2.904 5.556 1.00 0.48 C ATOM 0 H ALA A 21 -3.978 1.940 5.756 1.00 0.34 H new ATOM 0 HA ALA A 21 -1.796 1.981 7.497 1.00 0.36 H new ATOM 0 HB1 ALA A 21 -0.709 3.326 5.711 1.00 0.48 H new ATOM 0 HB2 ALA A 21 -1.613 1.949 5.037 1.00 0.48 H new ATOM 0 HB3 ALA A 21 -2.298 3.590 4.954 1.00 0.48 H new ATOM 324 N GLU A 22 -3.358 4.897 7.272 1.00 0.43 N ATOM 325 CA GLU A 22 -3.467 6.184 7.926 1.00 0.52 C ATOM 326 C GLU A 22 -3.796 5.971 9.401 1.00 0.51 C ATOM 327 O GLU A 22 -3.097 6.473 10.279 1.00 0.55 O ATOM 328 CB GLU A 22 -4.496 7.064 7.208 1.00 0.70 C ATOM 329 CG GLU A 22 -4.651 8.374 7.986 1.00 0.92 C ATOM 330 CD GLU A 22 -5.331 9.463 7.199 1.00 1.66 C ATOM 331 OE1 GLU A 22 -4.962 9.666 6.025 1.00 2.71 O ATOM 332 OE2 GLU A 22 -6.191 10.136 7.800 1.00 2.37 O ATOM 0 H GLU A 22 -4.013 4.748 6.504 1.00 0.43 H new ATOM 0 HA GLU A 22 -2.517 6.716 7.872 1.00 0.52 H new ATOM 0 HB2 GLU A 22 -4.173 7.267 6.187 1.00 0.70 H new ATOM 0 HB3 GLU A 22 -5.454 6.548 7.142 1.00 0.70 H new ATOM 0 HG2 GLU A 22 -5.222 8.182 8.894 1.00 0.92 H new ATOM 0 HG3 GLU A 22 -3.666 8.722 8.296 1.00 0.92 H new ATOM 339 N LYS A 23 -4.853 5.215 9.683 1.00 0.52 N ATOM 340 CA LYS A 23 -5.310 4.983 11.038 1.00 0.61 C ATOM 341 C LYS A 23 -4.193 4.363 11.871 1.00 0.54 C ATOM 342 O LYS A 23 -3.941 4.781 12.999 1.00 0.63 O ATOM 343 CB LYS A 23 -6.565 4.106 11.030 1.00 0.85 C ATOM 344 CG LYS A 23 -7.223 4.049 12.413 1.00 1.72 C ATOM 345 CD LYS A 23 -7.643 5.445 12.899 1.00 3.26 C ATOM 346 CE LYS A 23 -8.650 5.365 14.052 1.00 3.99 C ATOM 347 NZ LYS A 23 -7.999 5.047 15.335 1.00 4.64 N ATOM 0 H LYS A 23 -5.415 4.747 8.972 1.00 0.52 H new ATOM 0 HA LYS A 23 -5.575 5.936 11.497 1.00 0.61 H new ATOM 0 HB2 LYS A 23 -7.278 4.496 10.303 1.00 0.85 H new ATOM 0 HB3 LYS A 23 -6.303 3.098 10.709 1.00 0.85 H new ATOM 0 HG2 LYS A 23 -8.097 3.399 12.374 1.00 1.72 H new ATOM 0 HG3 LYS A 23 -6.529 3.608 13.129 1.00 1.72 H new ATOM 0 HD2 LYS A 23 -6.761 5.998 13.224 1.00 3.26 H new ATOM 0 HD3 LYS A 23 -8.081 6.002 12.071 1.00 3.26 H new ATOM 0 HE2 LYS A 23 -9.177 6.315 14.139 1.00 3.99 H new ATOM 0 HE3 LYS A 23 -9.398 4.605 13.827 1.00 3.99 H new ATOM 0 HZ1 LYS A 23 -8.666 5.217 16.114 1.00 4.64 H new ATOM 0 HZ2 LYS A 23 -7.709 4.048 15.339 1.00 4.64 H new ATOM 0 HZ3 LYS A 23 -7.161 5.651 15.458 1.00 4.64 H new ATOM 361 N LEU A 24 -3.478 3.399 11.298 1.00 0.48 N ATOM 362 CA LEU A 24 -2.316 2.819 11.937 1.00 0.51 C ATOM 363 C LEU A 24 -1.280 3.899 12.266 1.00 0.52 C ATOM 364 O LEU A 24 -0.633 3.802 13.301 1.00 0.64 O ATOM 365 CB LEU A 24 -1.746 1.696 11.057 1.00 0.55 C ATOM 366 CG LEU A 24 -2.505 0.370 11.205 1.00 0.68 C ATOM 367 CD1 LEU A 24 -1.894 -0.658 10.244 1.00 0.81 C ATOM 368 CD2 LEU A 24 -2.407 -0.132 12.651 1.00 0.86 C ATOM 0 H LEU A 24 -3.692 3.004 10.382 1.00 0.48 H new ATOM 0 HA LEU A 24 -2.607 2.373 12.888 1.00 0.51 H new ATOM 0 HB2 LEU A 24 -1.775 2.010 10.014 1.00 0.55 H new ATOM 0 HB3 LEU A 24 -0.698 1.538 11.313 1.00 0.55 H new ATOM 0 HG LEU A 24 -3.558 0.517 10.963 1.00 0.68 H new ATOM 0 HD11 LEU A 24 -2.425 -1.605 10.339 1.00 0.81 H new ATOM 0 HD12 LEU A 24 -1.981 -0.295 9.220 1.00 0.81 H new ATOM 0 HD13 LEU A 24 -0.842 -0.805 10.489 1.00 0.81 H new ATOM 0 HD21 LEU A 24 -2.948 -1.073 12.747 1.00 0.86 H new ATOM 0 HD22 LEU A 24 -1.360 -0.287 12.912 1.00 0.86 H new ATOM 0 HD23 LEU A 24 -2.843 0.607 13.323 1.00 0.86 H new ATOM 380 N SER A 25 -1.145 4.942 11.447 1.00 0.54 N ATOM 381 CA SER A 25 -0.228 6.052 11.706 1.00 0.65 C ATOM 382 C SER A 25 -0.841 7.067 12.694 1.00 0.89 C ATOM 383 O SER A 25 -0.321 8.170 12.872 1.00 1.50 O ATOM 384 CB SER A 25 0.178 6.685 10.363 1.00 0.64 C ATOM 385 OG SER A 25 1.373 7.443 10.457 1.00 2.11 O ATOM 0 H SER A 25 -1.672 5.041 10.580 1.00 0.54 H new ATOM 0 HA SER A 25 0.675 5.684 12.192 1.00 0.65 H new ATOM 0 HB2 SER A 25 0.308 5.899 9.619 1.00 0.64 H new ATOM 0 HB3 SER A 25 -0.629 7.327 10.010 1.00 0.64 H new ATOM 0 HG SER A 25 2.125 6.845 10.649 1.00 2.11 H new ATOM 391 N ASN A 26 -1.979 6.745 13.311 1.00 0.85 N ATOM 392 CA ASN A 26 -2.473 7.344 14.538 1.00 1.05 C ATOM 393 C ASN A 26 -2.262 6.389 15.708 1.00 1.07 C ATOM 394 O ASN A 26 -1.946 6.827 16.808 1.00 1.31 O ATOM 395 CB ASN A 26 -3.960 7.697 14.452 1.00 1.23 C ATOM 396 CG ASN A 26 -4.394 8.621 13.320 1.00 1.37 C ATOM 397 OD1 ASN A 26 -4.903 9.705 13.577 1.00 2.37 O ATOM 398 ND2 ASN A 26 -4.273 8.241 12.060 1.00 1.64 N ATOM 0 H ASN A 26 -2.605 6.026 12.947 1.00 0.85 H new ATOM 0 HA ASN A 26 -1.911 8.265 14.691 1.00 1.05 H new ATOM 0 HB2 ASN A 26 -4.523 6.768 14.364 1.00 1.23 H new ATOM 0 HB3 ASN A 26 -4.252 8.158 15.395 1.00 1.23 H new ATOM 0 HD21 ASN A 26 -4.602 8.849 11.310 1.00 1.64 H new ATOM 0 HD22 ASN A 26 -3.850 7.340 11.837 1.00 1.64 H new ATOM 405 N GLU A 27 -2.456 5.086 15.487 1.00 0.98 N ATOM 406 CA GLU A 27 -2.426 4.089 16.549 1.00 1.14 C ATOM 407 C GLU A 27 -0.980 3.865 17.000 1.00 1.15 C ATOM 408 O GLU A 27 -0.706 3.798 18.198 1.00 1.48 O ATOM 409 CB GLU A 27 -3.021 2.767 16.015 1.00 1.28 C ATOM 410 CG GLU A 27 -4.382 2.409 16.614 1.00 1.86 C ATOM 411 CD GLU A 27 -5.517 3.314 16.188 1.00 2.41 C ATOM 412 OE1 GLU A 27 -5.617 4.445 16.705 1.00 3.92 O ATOM 413 OE2 GLU A 27 -6.401 2.864 15.435 1.00 2.73 O ATOM 0 H GLU A 27 -2.638 4.696 14.562 1.00 0.98 H new ATOM 0 HA GLU A 27 -3.013 4.435 17.399 1.00 1.14 H new ATOM 0 HB2 GLU A 27 -3.120 2.837 14.932 1.00 1.28 H new ATOM 0 HB3 GLU A 27 -2.321 1.957 16.220 1.00 1.28 H new ATOM 0 HG2 GLU A 27 -4.628 1.384 16.336 1.00 1.86 H new ATOM 0 HG3 GLU A 27 -4.304 2.434 17.701 1.00 1.86 H new ATOM 420 N ARG A 28 -0.078 3.700 16.040 1.00 0.99 N ATOM 421 CA ARG A 28 1.349 3.597 16.276 1.00 1.05 C ATOM 422 C ARG A 28 1.942 5.000 16.152 1.00 1.14 C ATOM 423 O ARG A 28 1.346 5.861 15.501 1.00 1.35 O ATOM 424 CB ARG A 28 1.979 2.645 15.254 1.00 0.97 C ATOM 425 CG ARG A 28 1.171 1.352 15.095 1.00 1.30 C ATOM 426 CD ARG A 28 2.004 0.275 14.377 1.00 1.61 C ATOM 427 NE ARG A 28 1.176 -0.783 13.770 1.00 2.57 N ATOM 428 CZ ARG A 28 0.322 -1.598 14.415 1.00 3.54 C ATOM 429 NH1 ARG A 28 0.191 -1.513 15.734 1.00 3.92 N ATOM 430 NH2 ARG A 28 -0.405 -2.471 13.717 1.00 4.97 N ATOM 0 H ARG A 28 -0.329 3.633 15.054 1.00 0.99 H new ATOM 0 HA ARG A 28 1.551 3.196 17.269 1.00 1.05 H new ATOM 0 HB2 ARG A 28 2.053 3.147 14.289 1.00 0.97 H new ATOM 0 HB3 ARG A 28 2.995 2.401 15.565 1.00 0.97 H new ATOM 0 HG2 ARG A 28 0.863 0.987 16.075 1.00 1.30 H new ATOM 0 HG3 ARG A 28 0.261 1.553 14.529 1.00 1.30 H new ATOM 0 HD2 ARG A 28 2.607 0.747 13.601 1.00 1.61 H new ATOM 0 HD3 ARG A 28 2.696 -0.176 15.088 1.00 1.61 H new ATOM 0 HE ARG A 28 1.259 -0.910 12.761 1.00 2.57 H new ATOM 0 HH11 ARG A 28 0.738 -0.830 16.258 1.00 3.92 H new ATOM 0 HH12 ARG A 28 -0.457 -2.131 16.223 1.00 3.92 H new ATOM 0 HH21 ARG A 28 -0.311 -2.517 12.702 1.00 4.97 H new ATOM 0 HH22 ARG A 28 -1.055 -3.093 14.198 1.00 4.97 H new ATOM 444 N ASP A 29 3.119 5.212 16.744 1.00 1.28 N ATOM 445 CA ASP A 29 3.764 6.515 16.825 1.00 1.59 C ATOM 446 C ASP A 29 5.229 6.317 16.474 1.00 1.07 C ATOM 447 O ASP A 29 6.099 6.465 17.333 1.00 1.87 O ATOM 448 CB ASP A 29 3.643 7.132 18.228 1.00 2.42 C ATOM 449 CG ASP A 29 2.221 7.309 18.688 1.00 3.84 C ATOM 450 OD1 ASP A 29 1.537 8.208 18.160 1.00 4.94 O ATOM 451 OD2 ASP A 29 1.849 6.617 19.656 1.00 4.73 O ATOM 0 H ASP A 29 3.657 4.467 17.187 1.00 1.28 H new ATOM 0 HA ASP A 29 3.276 7.203 16.135 1.00 1.59 H new ATOM 0 HB2 ASP A 29 4.170 6.498 18.941 1.00 2.42 H new ATOM 0 HB3 ASP A 29 4.141 8.101 18.234 1.00 2.42 H new ATOM 456 N ASP A 30 5.488 5.894 15.243 1.00 0.99 N ATOM 457 CA ASP A 30 6.825 5.775 14.681 1.00 1.40 C ATOM 458 C ASP A 30 6.692 5.879 13.179 1.00 1.38 C ATOM 459 O ASP A 30 7.275 6.750 12.542 1.00 1.72 O ATOM 460 CB ASP A 30 7.485 4.430 15.003 1.00 2.01 C ATOM 461 CG ASP A 30 8.745 4.275 14.178 1.00 2.87 C ATOM 462 OD1 ASP A 30 9.711 5.019 14.455 1.00 3.89 O ATOM 463 OD2 ASP A 30 8.795 3.387 13.295 1.00 3.38 O ATOM 0 H ASP A 30 4.753 5.617 14.592 1.00 0.99 H new ATOM 0 HA ASP A 30 7.447 6.560 15.110 1.00 1.40 H new ATOM 0 HB2 ASP A 30 7.724 4.375 16.065 1.00 2.01 H new ATOM 0 HB3 ASP A 30 6.795 3.614 14.789 1.00 2.01 H new ATOM 468 N PHE A 31 5.908 4.968 12.612 1.00 1.08 N ATOM 469 CA PHE A 31 5.875 4.810 11.194 1.00 0.94 C ATOM 470 C PHE A 31 4.910 5.847 10.647 1.00 0.88 C ATOM 471 O PHE A 31 3.736 5.919 11.012 1.00 1.11 O ATOM 472 CB PHE A 31 5.541 3.349 10.871 1.00 0.82 C ATOM 473 CG PHE A 31 4.107 2.994 10.550 1.00 0.60 C ATOM 474 CD1 PHE A 31 3.203 2.774 11.598 1.00 2.13 C ATOM 475 CD2 PHE A 31 3.646 3.089 9.224 1.00 2.02 C ATOM 476 CE1 PHE A 31 1.829 2.712 11.326 1.00 2.43 C ATOM 477 CE2 PHE A 31 2.269 3.056 8.960 1.00 2.02 C ATOM 478 CZ PHE A 31 1.358 2.897 10.014 1.00 1.36 C ATOM 0 H PHE A 31 5.294 4.337 13.127 1.00 1.08 H new ATOM 0 HA PHE A 31 6.832 4.994 10.707 1.00 0.94 H new ATOM 0 HB2 PHE A 31 6.156 3.048 10.023 1.00 0.82 H new ATOM 0 HB3 PHE A 31 5.851 2.742 11.721 1.00 0.82 H new ATOM 0 HD1 PHE A 31 3.563 2.653 12.609 1.00 2.13 H new ATOM 0 HD2 PHE A 31 4.351 3.187 8.412 1.00 2.02 H new ATOM 0 HE1 PHE A 31 1.130 2.522 12.127 1.00 2.43 H new ATOM 0 HE2 PHE A 31 1.911 3.153 7.946 1.00 2.02 H new ATOM 0 HZ PHE A 31 0.296 2.917 9.818 1.00 1.36 H new ATOM 488 N GLN A 32 5.454 6.690 9.782 1.00 0.97 N ATOM 489 CA GLN A 32 4.657 7.539 8.944 1.00 0.89 C ATOM 490 C GLN A 32 4.285 6.665 7.761 1.00 0.66 C ATOM 491 O GLN A 32 4.949 5.665 7.466 1.00 0.76 O ATOM 492 CB GLN A 32 5.510 8.733 8.508 1.00 1.03 C ATOM 493 CG GLN A 32 5.442 9.861 9.531 1.00 1.53 C ATOM 494 CD GLN A 32 4.259 10.777 9.266 1.00 3.07 C ATOM 495 OE1 GLN A 32 3.299 10.398 8.601 1.00 4.19 O ATOM 496 NE2 GLN A 32 4.328 12.013 9.732 1.00 4.11 N ATOM 0 H GLN A 32 6.460 6.796 9.650 1.00 0.97 H new ATOM 0 HA GLN A 32 3.769 7.936 9.436 1.00 0.89 H new ATOM 0 HB2 GLN A 32 6.545 8.416 8.380 1.00 1.03 H new ATOM 0 HB3 GLN A 32 5.165 9.095 7.540 1.00 1.03 H new ATOM 0 HG2 GLN A 32 5.362 9.441 10.534 1.00 1.53 H new ATOM 0 HG3 GLN A 32 6.366 10.439 9.500 1.00 1.53 H new ATOM 0 HE21 GLN A 32 5.135 12.306 10.282 1.00 4.11 H new ATOM 0 HE22 GLN A 32 3.574 12.673 9.541 1.00 4.11 H new ATOM 505 N TYR A 33 3.225 7.048 7.070 1.00 0.59 N ATOM 506 CA TYR A 33 3.023 6.582 5.723 1.00 0.53 C ATOM 507 C TYR A 33 3.224 7.797 4.823 1.00 0.51 C ATOM 508 O TYR A 33 3.270 8.927 5.317 1.00 0.66 O ATOM 509 CB TYR A 33 1.633 5.944 5.581 1.00 0.68 C ATOM 510 CG TYR A 33 0.484 6.885 5.278 1.00 0.69 C ATOM 511 CD1 TYR A 33 -0.241 7.524 6.301 1.00 1.78 C ATOM 512 CD2 TYR A 33 0.089 7.058 3.944 1.00 1.87 C ATOM 513 CE1 TYR A 33 -1.399 8.263 5.981 1.00 1.82 C ATOM 514 CE2 TYR A 33 -1.122 7.692 3.643 1.00 1.85 C ATOM 515 CZ TYR A 33 -1.878 8.282 4.660 1.00 0.80 C ATOM 516 OH TYR A 33 -3.106 8.781 4.349 1.00 0.98 O ATOM 0 H TYR A 33 2.501 7.675 7.422 1.00 0.59 H new ATOM 0 HA TYR A 33 3.726 5.798 5.442 1.00 0.53 H new ATOM 0 HB2 TYR A 33 1.680 5.197 4.789 1.00 0.68 H new ATOM 0 HB3 TYR A 33 1.405 5.414 6.506 1.00 0.68 H new ATOM 0 HD1 TYR A 33 0.088 7.449 7.327 1.00 1.78 H new ATOM 0 HD2 TYR A 33 0.722 6.701 3.145 1.00 1.87 H new ATOM 0 HE1 TYR A 33 -1.918 8.814 6.751 1.00 1.82 H new ATOM 0 HE2 TYR A 33 -1.473 7.725 2.622 1.00 1.85 H new ATOM 0 HH TYR A 33 -3.561 9.066 5.169 1.00 0.98 H new ATOM 526 N GLN A 34 3.318 7.589 3.518 1.00 0.59 N ATOM 527 CA GLN A 34 3.176 8.647 2.539 1.00 0.62 C ATOM 528 C GLN A 34 2.327 8.102 1.408 1.00 0.58 C ATOM 529 O GLN A 34 2.418 6.927 1.079 1.00 0.67 O ATOM 530 CB GLN A 34 4.549 9.054 2.014 1.00 0.73 C ATOM 531 CG GLN A 34 4.540 10.473 1.449 1.00 1.57 C ATOM 532 CD GLN A 34 5.471 10.592 0.261 1.00 1.74 C ATOM 533 OE1 GLN A 34 6.678 10.759 0.413 1.00 2.67 O ATOM 534 NE2 GLN A 34 4.920 10.489 -0.936 1.00 2.55 N ATOM 0 H GLN A 34 3.497 6.672 3.109 1.00 0.59 H new ATOM 0 HA GLN A 34 2.708 9.526 2.982 1.00 0.62 H new ATOM 0 HB2 GLN A 34 5.281 8.988 2.819 1.00 0.73 H new ATOM 0 HB3 GLN A 34 4.864 8.356 1.239 1.00 0.73 H new ATOM 0 HG2 GLN A 34 3.527 10.742 1.150 1.00 1.57 H new ATOM 0 HG3 GLN A 34 4.842 11.178 2.224 1.00 1.57 H new ATOM 0 HE21 GLN A 34 3.913 10.351 -1.024 1.00 2.55 H new ATOM 0 HE22 GLN A 34 5.502 10.548 -1.772 1.00 2.55 H new ATOM 543 N TYR A 35 1.511 8.940 0.798 1.00 0.65 N ATOM 544 CA TYR A 35 0.762 8.562 -0.387 1.00 0.62 C ATOM 545 C TYR A 35 1.467 9.171 -1.593 1.00 0.66 C ATOM 546 O TYR A 35 2.044 10.256 -1.482 1.00 0.83 O ATOM 547 CB TYR A 35 -0.704 8.972 -0.238 1.00 0.73 C ATOM 548 CG TYR A 35 -1.607 8.429 -1.323 1.00 0.80 C ATOM 549 CD1 TYR A 35 -1.584 9.096 -2.563 1.00 2.33 C ATOM 550 CD2 TYR A 35 -2.680 7.571 -1.025 1.00 1.47 C ATOM 551 CE1 TYR A 35 -2.534 8.802 -3.545 1.00 2.56 C ATOM 552 CE2 TYR A 35 -3.578 7.203 -2.042 1.00 1.40 C ATOM 553 CZ TYR A 35 -3.488 7.813 -3.302 1.00 1.25 C ATOM 554 OH TYR A 35 -4.418 7.533 -4.250 1.00 1.60 O ATOM 0 H TYR A 35 1.348 9.898 1.107 1.00 0.65 H new ATOM 0 HA TYR A 35 0.739 7.482 -0.529 1.00 0.62 H new ATOM 0 HB2 TYR A 35 -1.070 8.630 0.730 1.00 0.73 H new ATOM 0 HB3 TYR A 35 -0.768 10.060 -0.237 1.00 0.73 H new ATOM 0 HD1 TYR A 35 -0.826 9.841 -2.757 1.00 2.33 H new ATOM 0 HD2 TYR A 35 -2.814 7.197 -0.021 1.00 1.47 H new ATOM 0 HE1 TYR A 35 -2.530 9.336 -4.484 1.00 2.56 H new ATOM 0 HE2 TYR A 35 -4.333 6.454 -1.854 1.00 1.40 H new ATOM 0 HH TYR A 35 -4.312 6.606 -4.549 1.00 1.60 H new ATOM 564 N VAL A 36 1.456 8.454 -2.712 1.00 0.69 N ATOM 565 CA VAL A 36 2.186 8.750 -3.926 1.00 0.78 C ATOM 566 C VAL A 36 1.214 8.574 -5.100 1.00 0.89 C ATOM 567 O VAL A 36 0.488 7.578 -5.176 1.00 0.96 O ATOM 568 CB VAL A 36 3.378 7.782 -4.012 1.00 0.73 C ATOM 569 CG1 VAL A 36 4.126 7.960 -5.338 1.00 0.96 C ATOM 570 CG2 VAL A 36 4.390 8.035 -2.895 1.00 0.78 C ATOM 0 H VAL A 36 0.902 7.601 -2.794 1.00 0.69 H new ATOM 0 HA VAL A 36 2.575 9.768 -3.945 1.00 0.78 H new ATOM 0 HB VAL A 36 2.964 6.777 -3.926 1.00 0.73 H new ATOM 0 HG11 VAL A 36 4.965 7.266 -5.378 1.00 0.96 H new ATOM 0 HG12 VAL A 36 3.448 7.759 -6.168 1.00 0.96 H new ATOM 0 HG13 VAL A 36 4.497 8.982 -5.412 1.00 0.96 H new ATOM 0 HG21 VAL A 36 5.218 7.332 -2.988 1.00 0.78 H new ATOM 0 HG22 VAL A 36 4.769 9.054 -2.971 1.00 0.78 H new ATOM 0 HG23 VAL A 36 3.906 7.899 -1.928 1.00 0.78 H new ATOM 580 N ASP A 37 1.182 9.558 -6.004 1.00 1.20 N ATOM 581 CA ASP A 37 0.393 9.506 -7.222 1.00 1.41 C ATOM 582 C ASP A 37 1.174 8.984 -8.419 1.00 1.33 C ATOM 583 O ASP A 37 1.998 9.697 -8.997 1.00 1.44 O ATOM 584 CB ASP A 37 -0.205 10.864 -7.590 1.00 1.78 C ATOM 585 CG ASP A 37 -1.248 11.361 -6.630 1.00 2.18 C ATOM 586 OD1 ASP A 37 -2.329 10.741 -6.599 1.00 2.46 O ATOM 587 OD2 ASP A 37 -1.031 12.435 -6.025 1.00 3.43 O ATOM 0 H ASP A 37 1.714 10.422 -5.901 1.00 1.20 H new ATOM 0 HA ASP A 37 -0.410 8.805 -6.994 1.00 1.41 H new ATOM 0 HB2 ASP A 37 0.599 11.598 -7.647 1.00 1.78 H new ATOM 0 HB3 ASP A 37 -0.646 10.796 -8.584 1.00 1.78 H new ATOM 592 N ILE A 38 0.751 7.824 -8.914 1.00 1.22 N ATOM 593 CA ILE A 38 1.076 7.348 -10.245 1.00 1.13 C ATOM 594 C ILE A 38 0.818 8.422 -11.316 1.00 1.31 C ATOM 595 O ILE A 38 1.504 8.433 -12.337 1.00 1.24 O ATOM 596 CB ILE A 38 0.313 6.046 -10.550 1.00 1.24 C ATOM 597 CG1 ILE A 38 -1.214 6.244 -10.536 1.00 1.60 C ATOM 598 CG2 ILE A 38 0.748 4.925 -9.594 1.00 1.29 C ATOM 599 CD1 ILE A 38 -1.968 4.967 -10.913 1.00 1.61 C ATOM 0 H ILE A 38 0.162 7.180 -8.387 1.00 1.22 H new ATOM 0 HA ILE A 38 2.144 7.131 -10.273 1.00 1.13 H new ATOM 0 HB ILE A 38 0.574 5.747 -11.565 1.00 1.24 H new ATOM 0 HG12 ILE A 38 -1.527 6.569 -9.544 1.00 1.60 H new ATOM 0 HG13 ILE A 38 -1.481 7.040 -11.231 1.00 1.60 H new ATOM 0 HG21 ILE A 38 0.197 4.014 -9.827 1.00 1.29 H new ATOM 0 HG22 ILE A 38 1.816 4.742 -9.710 1.00 1.29 H new ATOM 0 HG23 ILE A 38 0.540 5.222 -8.566 1.00 1.29 H new ATOM 0 HD11 ILE A 38 -3.041 5.157 -10.889 1.00 1.61 H new ATOM 0 HD12 ILE A 38 -1.677 4.656 -11.916 1.00 1.61 H new ATOM 0 HD13 ILE A 38 -1.724 4.177 -10.203 1.00 1.61 H new ATOM 611 N ARG A 39 -0.143 9.336 -11.113 1.00 1.73 N ATOM 612 CA ARG A 39 -0.413 10.391 -12.090 1.00 2.05 C ATOM 613 C ARG A 39 0.656 11.475 -12.089 1.00 2.24 C ATOM 614 O ARG A 39 0.859 12.154 -13.091 1.00 2.87 O ATOM 615 CB ARG A 39 -1.823 10.993 -11.956 1.00 2.69 C ATOM 616 CG ARG A 39 -2.090 11.571 -10.563 1.00 3.93 C ATOM 617 CD ARG A 39 -3.129 12.692 -10.514 1.00 4.96 C ATOM 618 NE ARG A 39 -4.463 12.284 -10.970 1.00 5.18 N ATOM 619 CZ ARG A 39 -5.548 13.063 -10.829 1.00 6.18 C ATOM 620 NH1 ARG A 39 -5.451 14.268 -10.268 1.00 6.91 N ATOM 621 NH2 ARG A 39 -6.738 12.632 -11.234 1.00 6.87 N ATOM 0 H ARG A 39 -0.740 9.363 -10.286 1.00 1.73 H new ATOM 0 HA ARG A 39 -0.375 9.899 -13.062 1.00 2.05 H new ATOM 0 HB2 ARG A 39 -1.950 11.778 -12.701 1.00 2.69 H new ATOM 0 HB3 ARG A 39 -2.564 10.224 -12.174 1.00 2.69 H new ATOM 0 HG2 ARG A 39 -2.418 10.764 -9.908 1.00 3.93 H new ATOM 0 HG3 ARG A 39 -1.151 11.949 -10.157 1.00 3.93 H new ATOM 0 HD2 ARG A 39 -3.202 13.062 -9.491 1.00 4.96 H new ATOM 0 HD3 ARG A 39 -2.783 13.522 -11.130 1.00 4.96 H new ATOM 0 HE ARG A 39 -4.571 11.371 -11.412 1.00 5.18 H new ATOM 0 HH11 ARG A 39 -4.546 14.607 -9.941 1.00 6.91 H new ATOM 0 HH12 ARG A 39 -6.281 14.851 -10.166 1.00 6.91 H new ATOM 0 HH21 ARG A 39 -6.830 11.707 -11.654 1.00 6.87 H new ATOM 0 HH22 ARG A 39 -7.560 13.226 -11.125 1.00 6.87 H new ATOM 635 N ALA A 40 1.331 11.665 -10.967 1.00 2.07 N ATOM 636 CA ALA A 40 2.395 12.647 -10.851 1.00 2.32 C ATOM 637 C ALA A 40 3.672 12.015 -11.375 1.00 2.15 C ATOM 638 O ALA A 40 4.265 12.480 -12.354 1.00 2.37 O ATOM 639 CB ALA A 40 2.536 13.113 -9.404 1.00 2.47 C ATOM 0 H ALA A 40 1.156 11.141 -10.110 1.00 2.07 H new ATOM 0 HA ALA A 40 2.168 13.535 -11.441 1.00 2.32 H new ATOM 0 HB1 ALA A 40 3.338 13.848 -9.335 1.00 2.47 H new ATOM 0 HB2 ALA A 40 1.600 13.564 -9.074 1.00 2.47 H new ATOM 0 HB3 ALA A 40 2.771 12.259 -8.768 1.00 2.47 H new ATOM 645 N GLU A 41 4.076 10.913 -10.750 1.00 1.87 N ATOM 646 CA GLU A 41 5.345 10.273 -11.038 1.00 1.95 C ATOM 647 C GLU A 41 5.325 9.533 -12.381 1.00 1.97 C ATOM 648 O GLU A 41 6.357 9.449 -13.049 1.00 2.51 O ATOM 649 CB GLU A 41 5.794 9.491 -9.802 1.00 1.92 C ATOM 650 CG GLU A 41 5.372 8.024 -9.779 1.00 2.17 C ATOM 651 CD GLU A 41 5.704 7.419 -8.431 1.00 3.16 C ATOM 652 OE1 GLU A 41 6.673 7.895 -7.797 1.00 3.52 O ATOM 653 OE2 GLU A 41 4.999 6.482 -8.011 1.00 4.40 O ATOM 0 H GLU A 41 3.528 10.442 -10.030 1.00 1.87 H new ATOM 0 HA GLU A 41 6.133 11.005 -11.211 1.00 1.95 H new ATOM 0 HB2 GLU A 41 6.881 9.542 -9.733 1.00 1.92 H new ATOM 0 HB3 GLU A 41 5.395 9.982 -8.915 1.00 1.92 H new ATOM 0 HG2 GLU A 41 4.303 7.940 -9.973 1.00 2.17 H new ATOM 0 HG3 GLU A 41 5.883 7.476 -10.570 1.00 2.17 H new ATOM 660 N GLY A 42 4.150 9.119 -12.843 1.00 1.53 N ATOM 661 CA GLY A 42 3.970 8.566 -14.173 1.00 1.51 C ATOM 662 C GLY A 42 4.413 7.114 -14.177 1.00 1.53 C ATOM 663 O GLY A 42 5.483 6.788 -14.691 1.00 2.22 O ATOM 0 H GLY A 42 3.290 9.160 -12.296 1.00 1.53 H new ATOM 0 HA2 GLY A 42 2.924 8.640 -14.472 1.00 1.51 H new ATOM 0 HA3 GLY A 42 4.550 9.137 -14.898 1.00 1.51 H new ATOM 667 N ILE A 43 3.590 6.256 -13.576 1.00 1.08 N ATOM 668 CA ILE A 43 3.837 4.832 -13.420 1.00 0.98 C ATOM 669 C ILE A 43 2.609 4.073 -13.922 1.00 0.96 C ATOM 670 O ILE A 43 1.472 4.506 -13.715 1.00 1.05 O ATOM 671 CB ILE A 43 4.236 4.551 -11.954 1.00 0.96 C ATOM 672 CG1 ILE A 43 5.773 4.490 -11.918 1.00 1.46 C ATOM 673 CG2 ILE A 43 3.611 3.286 -11.352 1.00 0.81 C ATOM 674 CD1 ILE A 43 6.359 4.243 -10.531 1.00 2.29 C ATOM 0 H ILE A 43 2.701 6.549 -13.171 1.00 1.08 H new ATOM 0 HA ILE A 43 4.675 4.479 -14.021 1.00 0.98 H new ATOM 0 HB ILE A 43 3.844 5.353 -11.328 1.00 0.96 H new ATOM 0 HG12 ILE A 43 6.109 3.699 -12.588 1.00 1.46 H new ATOM 0 HG13 ILE A 43 6.171 5.427 -12.306 1.00 1.46 H new ATOM 0 HG21 ILE A 43 3.947 3.169 -10.322 1.00 0.81 H new ATOM 0 HG22 ILE A 43 2.525 3.372 -11.372 1.00 0.81 H new ATOM 0 HG23 ILE A 43 3.917 2.417 -11.934 1.00 0.81 H new ATOM 0 HD11 ILE A 43 7.447 4.214 -10.595 1.00 2.29 H new ATOM 0 HD12 ILE A 43 6.056 5.047 -9.860 1.00 2.29 H new ATOM 0 HD13 ILE A 43 5.993 3.291 -10.146 1.00 2.29 H new ATOM 686 N THR A 44 2.843 2.978 -14.639 1.00 0.96 N ATOM 687 CA THR A 44 1.814 2.169 -15.255 1.00 1.01 C ATOM 688 C THR A 44 1.383 1.061 -14.298 1.00 0.83 C ATOM 689 O THR A 44 2.070 0.746 -13.328 1.00 0.74 O ATOM 690 CB THR A 44 2.379 1.620 -16.575 1.00 1.18 C ATOM 691 OG1 THR A 44 3.671 1.090 -16.376 1.00 1.23 O ATOM 692 CG2 THR A 44 2.518 2.769 -17.567 1.00 1.38 C ATOM 0 H THR A 44 3.785 2.624 -14.808 1.00 0.96 H new ATOM 0 HA THR A 44 0.922 2.756 -15.473 1.00 1.01 H new ATOM 0 HB THR A 44 1.705 0.846 -16.943 1.00 1.18 H new ATOM 0 HG1 THR A 44 4.017 0.743 -17.225 1.00 1.23 H new ATOM 0 HG21 THR A 44 2.918 2.391 -18.508 1.00 1.38 H new ATOM 0 HG22 THR A 44 1.541 3.218 -17.743 1.00 1.38 H new ATOM 0 HG23 THR A 44 3.195 3.521 -17.161 1.00 1.38 H new ATOM 700 N LYS A 45 0.243 0.441 -14.582 1.00 0.92 N ATOM 701 CA LYS A 45 -0.192 -0.767 -13.903 1.00 0.92 C ATOM 702 C LYS A 45 0.826 -1.884 -14.169 1.00 0.84 C ATOM 703 O LYS A 45 1.119 -2.700 -13.292 1.00 0.85 O ATOM 704 CB LYS A 45 -1.598 -1.098 -14.432 1.00 1.15 C ATOM 705 CG LYS A 45 -2.560 -1.575 -13.341 1.00 1.26 C ATOM 706 CD LYS A 45 -3.999 -1.330 -13.818 1.00 2.31 C ATOM 707 CE LYS A 45 -5.031 -1.584 -12.718 1.00 3.09 C ATOM 708 NZ LYS A 45 -5.288 -3.016 -12.500 1.00 3.44 N ATOM 0 H LYS A 45 -0.408 0.768 -15.296 1.00 0.92 H new ATOM 0 HA LYS A 45 -0.246 -0.645 -12.821 1.00 0.92 H new ATOM 0 HB2 LYS A 45 -2.015 -0.213 -14.913 1.00 1.15 H new ATOM 0 HB3 LYS A 45 -1.518 -1.869 -15.198 1.00 1.15 H new ATOM 0 HG2 LYS A 45 -2.404 -2.634 -13.136 1.00 1.26 H new ATOM 0 HG3 LYS A 45 -2.373 -1.039 -12.411 1.00 1.26 H new ATOM 0 HD2 LYS A 45 -4.092 -0.302 -14.169 1.00 2.31 H new ATOM 0 HD3 LYS A 45 -4.212 -1.978 -14.668 1.00 2.31 H new ATOM 0 HE2 LYS A 45 -4.682 -1.136 -11.788 1.00 3.09 H new ATOM 0 HE3 LYS A 45 -5.965 -1.087 -12.980 1.00 3.09 H new ATOM 0 HZ1 LYS A 45 -5.247 -3.225 -11.482 1.00 3.44 H new ATOM 0 HZ2 LYS A 45 -6.231 -3.259 -12.866 1.00 3.44 H new ATOM 0 HZ3 LYS A 45 -4.568 -3.578 -12.998 1.00 3.44 H new ATOM 722 N GLU A 46 1.373 -1.893 -15.386 1.00 0.88 N ATOM 723 CA GLU A 46 2.467 -2.762 -15.777 1.00 0.84 C ATOM 724 C GLU A 46 3.660 -2.491 -14.870 1.00 0.70 C ATOM 725 O GLU A 46 4.155 -3.431 -14.253 1.00 0.68 O ATOM 726 CB GLU A 46 2.819 -2.492 -17.242 1.00 0.99 C ATOM 727 CG GLU A 46 4.153 -3.093 -17.705 1.00 2.04 C ATOM 728 CD GLU A 46 4.528 -2.509 -19.039 1.00 2.30 C ATOM 729 OE1 GLU A 46 3.695 -2.618 -19.964 1.00 2.27 O ATOM 730 OE2 GLU A 46 5.573 -1.835 -19.131 1.00 3.40 O ATOM 0 H GLU A 46 1.056 -1.281 -16.138 1.00 0.88 H new ATOM 0 HA GLU A 46 2.182 -3.809 -15.676 1.00 0.84 H new ATOM 0 HB2 GLU A 46 2.021 -2.886 -17.871 1.00 0.99 H new ATOM 0 HB3 GLU A 46 2.847 -1.414 -17.401 1.00 0.99 H new ATOM 0 HG2 GLU A 46 4.932 -2.884 -16.972 1.00 2.04 H new ATOM 0 HG3 GLU A 46 4.069 -4.177 -17.781 1.00 2.04 H new ATOM 737 N ASP A 47 4.135 -1.237 -14.820 1.00 0.69 N ATOM 738 CA ASP A 47 5.293 -0.868 -14.012 1.00 0.66 C ATOM 739 C ASP A 47 5.089 -1.406 -12.617 1.00 0.61 C ATOM 740 O ASP A 47 5.919 -2.139 -12.108 1.00 0.65 O ATOM 741 CB ASP A 47 5.486 0.646 -13.894 1.00 0.80 C ATOM 742 CG ASP A 47 6.600 0.936 -12.902 1.00 0.98 C ATOM 743 OD1 ASP A 47 6.327 1.031 -11.688 1.00 1.86 O ATOM 744 OD2 ASP A 47 7.740 1.066 -13.394 1.00 1.52 O ATOM 0 H ASP A 47 3.726 -0.459 -15.337 1.00 0.69 H new ATOM 0 HA ASP A 47 6.173 -1.284 -14.503 1.00 0.66 H new ATOM 0 HB2 ASP A 47 5.732 1.070 -14.868 1.00 0.80 H new ATOM 0 HB3 ASP A 47 4.560 1.118 -13.566 1.00 0.80 H new ATOM 749 N LEU A 48 3.951 -1.060 -12.030 1.00 0.59 N ATOM 750 CA LEU A 48 3.608 -1.471 -10.693 1.00 0.60 C ATOM 751 C LEU A 48 3.821 -2.964 -10.499 1.00 0.57 C ATOM 752 O LEU A 48 4.509 -3.361 -9.566 1.00 0.61 O ATOM 753 CB LEU A 48 2.160 -1.042 -10.406 1.00 0.63 C ATOM 754 CG LEU A 48 2.121 0.266 -9.613 1.00 0.79 C ATOM 755 CD1 LEU A 48 0.713 0.865 -9.674 1.00 0.93 C ATOM 756 CD2 LEU A 48 2.523 0.013 -8.154 1.00 1.06 C ATOM 0 H LEU A 48 3.241 -0.482 -12.479 1.00 0.59 H new ATOM 0 HA LEU A 48 4.267 -0.983 -9.975 1.00 0.60 H new ATOM 0 HB2 LEU A 48 1.621 -0.918 -11.345 1.00 0.63 H new ATOM 0 HB3 LEU A 48 1.649 -1.826 -9.847 1.00 0.63 H new ATOM 0 HG LEU A 48 2.828 0.969 -10.053 1.00 0.79 H new ATOM 0 HD11 LEU A 48 0.689 1.796 -9.108 1.00 0.93 H new ATOM 0 HD12 LEU A 48 0.447 1.064 -10.712 1.00 0.93 H new ATOM 0 HD13 LEU A 48 -0.001 0.161 -9.245 1.00 0.93 H new ATOM 0 HD21 LEU A 48 2.491 0.951 -7.600 1.00 1.06 H new ATOM 0 HD22 LEU A 48 1.830 -0.698 -7.704 1.00 1.06 H new ATOM 0 HD23 LEU A 48 3.533 -0.394 -8.120 1.00 1.06 H new ATOM 768 N GLN A 49 3.254 -3.805 -11.358 1.00 0.58 N ATOM 769 CA GLN A 49 3.390 -5.237 -11.237 1.00 0.61 C ATOM 770 C GLN A 49 4.843 -5.691 -11.480 1.00 0.69 C ATOM 771 O GLN A 49 5.354 -6.602 -10.822 1.00 0.76 O ATOM 772 CB GLN A 49 2.308 -5.834 -12.142 1.00 0.72 C ATOM 773 CG GLN A 49 2.786 -6.601 -13.376 1.00 0.91 C ATOM 774 CD GLN A 49 1.646 -6.860 -14.360 1.00 1.20 C ATOM 775 OE1 GLN A 49 1.401 -7.986 -14.783 1.00 1.89 O ATOM 776 NE2 GLN A 49 0.905 -5.817 -14.702 1.00 1.85 N ATOM 0 H GLN A 49 2.690 -3.505 -12.153 1.00 0.58 H new ATOM 0 HA GLN A 49 3.218 -5.610 -10.227 1.00 0.61 H new ATOM 0 HB2 GLN A 49 1.695 -6.506 -11.541 1.00 0.72 H new ATOM 0 HB3 GLN A 49 1.660 -5.024 -12.476 1.00 0.72 H new ATOM 0 HG2 GLN A 49 3.574 -6.035 -13.873 1.00 0.91 H new ATOM 0 HG3 GLN A 49 3.222 -7.551 -13.067 1.00 0.91 H new ATOM 0 HE21 GLN A 49 1.129 -4.891 -14.337 1.00 1.85 H new ATOM 0 HE22 GLN A 49 0.111 -5.940 -15.330 1.00 1.85 H new ATOM 785 N GLN A 50 5.537 -5.039 -12.411 1.00 0.72 N ATOM 786 CA GLN A 50 6.952 -5.256 -12.659 1.00 0.79 C ATOM 787 C GLN A 50 7.729 -5.025 -11.363 1.00 0.87 C ATOM 788 O GLN A 50 8.317 -5.961 -10.824 1.00 1.11 O ATOM 789 CB GLN A 50 7.436 -4.372 -13.825 1.00 0.80 C ATOM 790 CG GLN A 50 7.676 -5.155 -15.124 1.00 1.80 C ATOM 791 CD GLN A 50 6.590 -6.168 -15.465 1.00 3.21 C ATOM 792 OE1 GLN A 50 6.868 -7.360 -15.566 1.00 3.93 O ATOM 793 NE2 GLN A 50 5.351 -5.730 -15.622 1.00 4.64 N ATOM 0 H GLN A 50 5.121 -4.335 -13.021 1.00 0.72 H new ATOM 0 HA GLN A 50 7.131 -6.286 -12.968 1.00 0.79 H new ATOM 0 HB2 GLN A 50 6.698 -3.592 -14.011 1.00 0.80 H new ATOM 0 HB3 GLN A 50 8.360 -3.873 -13.534 1.00 0.80 H new ATOM 0 HG2 GLN A 50 7.766 -4.447 -15.948 1.00 1.80 H new ATOM 0 HG3 GLN A 50 8.630 -5.677 -15.047 1.00 1.80 H new ATOM 0 HE21 GLN A 50 5.147 -4.735 -15.533 1.00 4.64 H new ATOM 0 HE22 GLN A 50 4.600 -6.388 -15.832 1.00 4.64 H new ATOM 802 N LYS A 51 7.698 -3.806 -10.837 1.00 0.81 N ATOM 803 CA LYS A 51 8.461 -3.390 -9.680 1.00 0.99 C ATOM 804 C LYS A 51 8.049 -4.221 -8.465 1.00 0.94 C ATOM 805 O LYS A 51 8.893 -4.684 -7.702 1.00 1.11 O ATOM 806 CB LYS A 51 8.246 -1.882 -9.457 1.00 1.08 C ATOM 807 CG LYS A 51 9.593 -1.172 -9.238 1.00 1.67 C ATOM 808 CD LYS A 51 9.466 0.335 -8.959 1.00 1.90 C ATOM 809 CE LYS A 51 9.139 0.697 -7.500 1.00 1.74 C ATOM 810 NZ LYS A 51 7.878 0.126 -7.010 1.00 2.57 N ATOM 0 H LYS A 51 7.119 -3.059 -11.222 1.00 0.81 H new ATOM 0 HA LYS A 51 9.526 -3.559 -9.839 1.00 0.99 H new ATOM 0 HB2 LYS A 51 7.736 -1.450 -10.318 1.00 1.08 H new ATOM 0 HB3 LYS A 51 7.601 -1.725 -8.593 1.00 1.08 H new ATOM 0 HG2 LYS A 51 10.109 -1.644 -8.402 1.00 1.67 H new ATOM 0 HG3 LYS A 51 10.216 -1.317 -10.120 1.00 1.67 H new ATOM 0 HD2 LYS A 51 10.400 0.822 -9.238 1.00 1.90 H new ATOM 0 HD3 LYS A 51 8.688 0.745 -9.603 1.00 1.90 H new ATOM 0 HE2 LYS A 51 9.953 0.355 -6.861 1.00 1.74 H new ATOM 0 HE3 LYS A 51 9.095 1.782 -7.407 1.00 1.74 H new ATOM 0 HZ1 LYS A 51 7.545 0.672 -6.190 1.00 2.57 H new ATOM 0 HZ2 LYS A 51 7.163 0.165 -7.764 1.00 2.57 H new ATOM 0 HZ3 LYS A 51 8.031 -0.863 -6.729 1.00 2.57 H new ATOM 824 N ALA A 52 6.740 -4.412 -8.291 1.00 0.76 N ATOM 825 CA ALA A 52 6.172 -5.240 -7.238 1.00 0.78 C ATOM 826 C ALA A 52 6.745 -6.658 -7.276 1.00 0.91 C ATOM 827 O ALA A 52 6.776 -7.345 -6.256 1.00 1.26 O ATOM 828 CB ALA A 52 4.656 -5.338 -7.414 1.00 0.72 C ATOM 0 H ALA A 52 6.036 -3.985 -8.892 1.00 0.76 H new ATOM 0 HA ALA A 52 6.422 -4.774 -6.285 1.00 0.78 H new ATOM 0 HB1 ALA A 52 4.237 -5.959 -6.622 1.00 0.72 H new ATOM 0 HB2 ALA A 52 4.219 -4.341 -7.363 1.00 0.72 H new ATOM 0 HB3 ALA A 52 4.430 -5.784 -8.383 1.00 0.72 H new ATOM 834 N GLY A 53 7.125 -7.123 -8.466 1.00 0.78 N ATOM 835 CA GLY A 53 7.746 -8.417 -8.656 1.00 0.83 C ATOM 836 C GLY A 53 6.715 -9.510 -8.920 1.00 0.99 C ATOM 837 O GLY A 53 7.028 -10.696 -8.767 1.00 1.35 O ATOM 0 H GLY A 53 7.005 -6.598 -9.332 1.00 0.78 H new ATOM 0 HA2 GLY A 53 8.443 -8.366 -9.493 1.00 0.83 H new ATOM 0 HA3 GLY A 53 8.328 -8.674 -7.771 1.00 0.83 H new ATOM 841 N LYS A 54 5.497 -9.155 -9.342 1.00 0.95 N ATOM 842 CA LYS A 54 4.445 -10.128 -9.602 1.00 1.20 C ATOM 843 C LYS A 54 3.315 -9.448 -10.367 1.00 0.94 C ATOM 844 O LYS A 54 3.171 -8.232 -10.249 1.00 0.70 O ATOM 845 CB LYS A 54 3.959 -10.755 -8.281 1.00 1.56 C ATOM 846 CG LYS A 54 2.821 -9.990 -7.596 1.00 1.86 C ATOM 847 CD LYS A 54 2.739 -10.466 -6.145 1.00 1.57 C ATOM 848 CE LYS A 54 1.462 -10.003 -5.441 1.00 2.48 C ATOM 849 NZ LYS A 54 0.307 -10.899 -5.651 1.00 3.42 N ATOM 0 H LYS A 54 5.219 -8.188 -9.511 1.00 0.95 H new ATOM 0 HA LYS A 54 4.830 -10.942 -10.217 1.00 1.20 H new ATOM 0 HB2 LYS A 54 3.628 -11.775 -8.478 1.00 1.56 H new ATOM 0 HB3 LYS A 54 4.802 -10.821 -7.593 1.00 1.56 H new ATOM 0 HG2 LYS A 54 3.006 -8.916 -7.635 1.00 1.86 H new ATOM 0 HG3 LYS A 54 1.877 -10.170 -8.110 1.00 1.86 H new ATOM 0 HD2 LYS A 54 2.787 -11.555 -6.121 1.00 1.57 H new ATOM 0 HD3 LYS A 54 3.605 -10.096 -5.597 1.00 1.57 H new ATOM 0 HE2 LYS A 54 1.657 -9.922 -4.372 1.00 2.48 H new ATOM 0 HE3 LYS A 54 1.205 -9.005 -5.795 1.00 2.48 H new ATOM 0 HZ1 LYS A 54 -0.521 -10.523 -5.146 1.00 3.42 H new ATOM 0 HZ2 LYS A 54 0.094 -10.959 -6.667 1.00 3.42 H new ATOM 0 HZ3 LYS A 54 0.533 -11.847 -5.288 1.00 3.42 H new ATOM 863 N PRO A 55 2.485 -10.196 -11.104 1.00 1.14 N ATOM 864 CA PRO A 55 1.323 -9.647 -11.781 1.00 1.11 C ATOM 865 C PRO A 55 0.230 -9.251 -10.780 1.00 0.95 C ATOM 866 O PRO A 55 -0.847 -9.844 -10.753 1.00 1.18 O ATOM 867 CB PRO A 55 0.896 -10.726 -12.783 1.00 1.52 C ATOM 868 CG PRO A 55 1.358 -12.020 -12.116 1.00 1.66 C ATOM 869 CD PRO A 55 2.646 -11.609 -11.407 1.00 1.56 C ATOM 0 HA PRO A 55 1.539 -8.717 -12.306 1.00 1.11 H new ATOM 0 HB2 PRO A 55 -0.181 -10.720 -12.948 1.00 1.52 H new ATOM 0 HB3 PRO A 55 1.368 -10.583 -13.755 1.00 1.52 H new ATOM 0 HG2 PRO A 55 0.615 -12.398 -11.414 1.00 1.66 H new ATOM 0 HG3 PRO A 55 1.535 -12.809 -12.847 1.00 1.66 H new ATOM 0 HD2 PRO A 55 2.797 -12.191 -10.498 1.00 1.56 H new ATOM 0 HD3 PRO A 55 3.515 -11.778 -12.042 1.00 1.56 H new ATOM 877 N VAL A 56 0.471 -8.229 -9.956 1.00 0.78 N ATOM 878 CA VAL A 56 -0.609 -7.572 -9.241 1.00 0.81 C ATOM 879 C VAL A 56 -1.380 -6.709 -10.215 1.00 0.81 C ATOM 880 O VAL A 56 -0.816 -5.883 -10.933 1.00 1.05 O ATOM 881 CB VAL A 56 -0.165 -6.804 -7.996 1.00 0.89 C ATOM 882 CG1 VAL A 56 1.130 -6.006 -8.187 1.00 0.93 C ATOM 883 CG2 VAL A 56 -1.278 -5.912 -7.432 1.00 1.45 C ATOM 0 H VAL A 56 1.398 -7.846 -9.773 1.00 0.78 H new ATOM 0 HA VAL A 56 -1.263 -8.346 -8.840 1.00 0.81 H new ATOM 0 HB VAL A 56 0.056 -7.577 -7.260 1.00 0.89 H new ATOM 0 HG11 VAL A 56 1.379 -5.489 -7.260 1.00 0.93 H new ATOM 0 HG12 VAL A 56 1.940 -6.685 -8.453 1.00 0.93 H new ATOM 0 HG13 VAL A 56 0.993 -5.276 -8.984 1.00 0.93 H new ATOM 0 HG21 VAL A 56 -0.912 -5.388 -6.549 1.00 1.45 H new ATOM 0 HG22 VAL A 56 -1.579 -5.185 -8.186 1.00 1.45 H new ATOM 0 HG23 VAL A 56 -2.135 -6.528 -7.160 1.00 1.45 H new ATOM 893 N GLU A 57 -2.681 -6.931 -10.196 1.00 0.78 N ATOM 894 CA GLU A 57 -3.664 -6.246 -11.011 1.00 0.89 C ATOM 895 C GLU A 57 -4.752 -5.646 -10.112 1.00 0.85 C ATOM 896 O GLU A 57 -5.551 -4.829 -10.573 1.00 1.18 O ATOM 897 CB GLU A 57 -4.198 -7.234 -12.065 1.00 1.20 C ATOM 898 CG GLU A 57 -5.099 -6.650 -13.167 1.00 1.90 C ATOM 899 CD GLU A 57 -4.393 -5.737 -14.144 1.00 2.51 C ATOM 900 OE1 GLU A 57 -3.778 -4.744 -13.701 1.00 3.97 O ATOM 901 OE2 GLU A 57 -4.526 -5.976 -15.364 1.00 2.93 O ATOM 0 H GLU A 57 -3.100 -7.628 -9.581 1.00 0.78 H new ATOM 0 HA GLU A 57 -3.225 -5.406 -11.550 1.00 0.89 H new ATOM 0 HB2 GLU A 57 -3.345 -7.715 -12.543 1.00 1.20 H new ATOM 0 HB3 GLU A 57 -4.756 -8.015 -11.548 1.00 1.20 H new ATOM 0 HG2 GLU A 57 -5.551 -7.472 -13.721 1.00 1.90 H new ATOM 0 HG3 GLU A 57 -5.912 -6.097 -12.697 1.00 1.90 H new ATOM 908 N THR A 58 -4.791 -5.979 -8.820 1.00 0.96 N ATOM 909 CA THR A 58 -5.674 -5.286 -7.899 1.00 0.96 C ATOM 910 C THR A 58 -4.950 -4.016 -7.469 1.00 0.92 C ATOM 911 O THR A 58 -3.719 -3.992 -7.415 1.00 1.09 O ATOM 912 CB THR A 58 -5.979 -6.184 -6.688 1.00 1.01 C ATOM 913 OG1 THR A 58 -4.816 -6.878 -6.263 1.00 1.14 O ATOM 914 CG2 THR A 58 -7.054 -7.204 -7.062 1.00 1.13 C ATOM 0 H THR A 58 -4.226 -6.716 -8.398 1.00 0.96 H new ATOM 0 HA THR A 58 -6.627 -5.041 -8.368 1.00 0.96 H new ATOM 0 HB THR A 58 -6.328 -5.548 -5.874 1.00 1.01 H new ATOM 0 HG1 THR A 58 -5.035 -7.441 -5.491 1.00 1.14 H new ATOM 0 HG21 THR A 58 -7.268 -7.839 -6.202 1.00 1.13 H new ATOM 0 HG22 THR A 58 -7.962 -6.682 -7.363 1.00 1.13 H new ATOM 0 HG23 THR A 58 -6.699 -7.820 -7.888 1.00 1.13 H new ATOM 922 N VAL A 59 -5.691 -2.959 -7.159 1.00 0.87 N ATOM 923 CA VAL A 59 -5.141 -1.732 -6.603 1.00 0.78 C ATOM 924 C VAL A 59 -5.929 -1.427 -5.315 1.00 0.79 C ATOM 925 O VAL A 59 -7.013 -1.989 -5.137 1.00 0.95 O ATOM 926 CB VAL A 59 -5.167 -0.631 -7.678 1.00 0.96 C ATOM 927 CG1 VAL A 59 -4.478 -1.084 -8.971 1.00 1.37 C ATOM 928 CG2 VAL A 59 -6.583 -0.155 -7.968 1.00 1.18 C ATOM 0 H VAL A 59 -6.702 -2.931 -7.289 1.00 0.87 H new ATOM 0 HA VAL A 59 -4.092 -1.813 -6.320 1.00 0.78 H new ATOM 0 HB VAL A 59 -4.606 0.212 -7.273 1.00 0.96 H new ATOM 0 HG11 VAL A 59 -4.517 -0.279 -9.705 1.00 1.37 H new ATOM 0 HG12 VAL A 59 -3.438 -1.333 -8.761 1.00 1.37 H new ATOM 0 HG13 VAL A 59 -4.989 -1.962 -9.367 1.00 1.37 H new ATOM 0 HG21 VAL A 59 -6.556 0.622 -8.732 1.00 1.18 H new ATOM 0 HG22 VAL A 59 -7.183 -0.993 -8.323 1.00 1.18 H new ATOM 0 HG23 VAL A 59 -7.025 0.247 -7.057 1.00 1.18 H new ATOM 938 N PRO A 60 -5.447 -0.585 -4.387 1.00 0.75 N ATOM 939 CA PRO A 60 -4.180 0.126 -4.427 1.00 0.69 C ATOM 940 C PRO A 60 -3.027 -0.858 -4.263 1.00 0.62 C ATOM 941 O PRO A 60 -3.246 -2.031 -3.951 1.00 0.65 O ATOM 942 CB PRO A 60 -4.241 1.098 -3.242 1.00 0.70 C ATOM 943 CG PRO A 60 -5.047 0.307 -2.212 1.00 0.73 C ATOM 944 CD PRO A 60 -6.073 -0.416 -3.083 1.00 0.85 C ATOM 0 HA PRO A 60 -4.019 0.647 -5.371 1.00 0.69 H new ATOM 0 HB2 PRO A 60 -3.247 1.352 -2.873 1.00 0.70 H new ATOM 0 HB3 PRO A 60 -4.731 2.035 -3.509 1.00 0.70 H new ATOM 0 HG2 PRO A 60 -4.422 -0.392 -1.656 1.00 0.73 H new ATOM 0 HG3 PRO A 60 -5.523 0.960 -1.480 1.00 0.73 H new ATOM 0 HD2 PRO A 60 -6.341 -1.380 -2.651 1.00 0.85 H new ATOM 0 HD3 PRO A 60 -6.993 0.163 -3.164 1.00 0.85 H new ATOM 952 N GLN A 61 -1.807 -0.368 -4.455 1.00 0.68 N ATOM 953 CA GLN A 61 -0.626 -1.018 -3.931 1.00 0.67 C ATOM 954 C GLN A 61 -0.201 -0.192 -2.720 1.00 0.87 C ATOM 955 O GLN A 61 -0.336 1.033 -2.745 1.00 1.62 O ATOM 956 CB GLN A 61 0.475 -1.109 -5.003 1.00 0.76 C ATOM 957 CG GLN A 61 0.256 -2.294 -5.959 1.00 0.92 C ATOM 958 CD GLN A 61 -0.540 -1.953 -7.217 1.00 1.80 C ATOM 959 OE1 GLN A 61 -1.244 -0.947 -7.288 1.00 3.24 O ATOM 960 NE2 GLN A 61 -0.387 -2.783 -8.240 1.00 2.03 N ATOM 0 H GLN A 61 -1.616 0.487 -4.977 1.00 0.68 H new ATOM 0 HA GLN A 61 -0.822 -2.049 -3.637 1.00 0.67 H new ATOM 0 HB2 GLN A 61 0.500 -0.182 -5.576 1.00 0.76 H new ATOM 0 HB3 GLN A 61 1.446 -1.210 -4.517 1.00 0.76 H new ATOM 0 HG2 GLN A 61 1.227 -2.690 -6.255 1.00 0.92 H new ATOM 0 HG3 GLN A 61 -0.262 -3.088 -5.421 1.00 0.92 H new ATOM 0 HE21 GLN A 61 0.205 -3.608 -8.143 1.00 2.03 H new ATOM 0 HE22 GLN A 61 -0.862 -2.597 -9.123 1.00 2.03 H new ATOM 969 N ILE A 62 0.275 -0.847 -1.668 1.00 0.45 N ATOM 970 CA ILE A 62 0.921 -0.224 -0.531 1.00 0.52 C ATOM 971 C ILE A 62 2.239 -0.972 -0.371 1.00 0.53 C ATOM 972 O ILE A 62 2.255 -2.203 -0.336 1.00 0.64 O ATOM 973 CB ILE A 62 0.043 -0.303 0.735 1.00 0.64 C ATOM 974 CG1 ILE A 62 -1.010 0.825 0.825 1.00 0.71 C ATOM 975 CG2 ILE A 62 0.882 -0.242 2.018 1.00 0.77 C ATOM 976 CD1 ILE A 62 -2.298 0.210 1.355 1.00 0.67 C ATOM 0 H ILE A 62 0.217 -1.862 -1.585 1.00 0.45 H new ATOM 0 HA ILE A 62 1.086 0.842 -0.685 1.00 0.52 H new ATOM 0 HB ILE A 62 -0.466 -1.263 0.649 1.00 0.64 H new ATOM 0 HG12 ILE A 62 -0.665 1.620 1.486 1.00 0.71 H new ATOM 0 HG13 ILE A 62 -1.175 1.274 -0.154 1.00 0.71 H new ATOM 0 HG21 ILE A 62 0.225 -0.301 2.886 1.00 0.77 H new ATOM 0 HG22 ILE A 62 1.581 -1.078 2.035 1.00 0.77 H new ATOM 0 HG23 ILE A 62 1.437 0.696 2.046 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -3.065 0.981 1.431 1.00 0.67 H new ATOM 0 HD12 ILE A 62 -2.635 -0.571 0.674 1.00 0.67 H new ATOM 0 HD13 ILE A 62 -2.117 -0.221 2.340 1.00 0.67 H new ATOM 988 N PHE A 63 3.334 -0.229 -0.275 1.00 0.51 N ATOM 989 CA PHE A 63 4.620 -0.774 0.107 1.00 0.56 C ATOM 990 C PHE A 63 4.794 -0.485 1.594 1.00 0.70 C ATOM 991 O PHE A 63 4.355 0.570 2.049 1.00 1.07 O ATOM 992 CB PHE A 63 5.735 -0.113 -0.714 1.00 0.61 C ATOM 993 CG PHE A 63 5.820 -0.560 -2.164 1.00 0.59 C ATOM 994 CD1 PHE A 63 4.834 -0.208 -3.106 1.00 1.92 C ATOM 995 CD2 PHE A 63 6.896 -1.364 -2.569 1.00 1.95 C ATOM 996 CE1 PHE A 63 4.933 -0.652 -4.440 1.00 1.81 C ATOM 997 CE2 PHE A 63 6.948 -1.876 -3.871 1.00 2.07 C ATOM 998 CZ PHE A 63 5.979 -1.513 -4.819 1.00 0.69 C ATOM 0 H PHE A 63 3.350 0.774 -0.462 1.00 0.51 H new ATOM 0 HA PHE A 63 4.671 -1.846 -0.083 1.00 0.56 H new ATOM 0 HB2 PHE A 63 5.590 0.967 -0.691 1.00 0.61 H new ATOM 0 HB3 PHE A 63 6.690 -0.317 -0.231 1.00 0.61 H new ATOM 0 HD1 PHE A 63 3.998 0.405 -2.805 1.00 1.92 H new ATOM 0 HD2 PHE A 63 7.689 -1.589 -1.872 1.00 1.95 H new ATOM 0 HE1 PHE A 63 4.206 -0.331 -5.171 1.00 1.81 H new ATOM 0 HE2 PHE A 63 7.740 -2.556 -4.148 1.00 2.07 H new ATOM 0 HZ PHE A 63 6.036 -1.891 -5.829 1.00 0.69 H new ATOM 1008 N VAL A 64 5.432 -1.374 2.352 1.00 0.55 N ATOM 1009 CA VAL A 64 5.938 -1.059 3.684 1.00 0.60 C ATOM 1010 C VAL A 64 7.435 -1.303 3.624 1.00 0.61 C ATOM 1011 O VAL A 64 7.839 -2.309 3.054 1.00 0.68 O ATOM 1012 CB VAL A 64 5.276 -1.915 4.776 1.00 0.82 C ATOM 1013 CG1 VAL A 64 5.808 -1.495 6.155 1.00 1.15 C ATOM 1014 CG2 VAL A 64 3.751 -1.759 4.780 1.00 0.81 C ATOM 0 H VAL A 64 5.612 -2.334 2.059 1.00 0.55 H new ATOM 0 HA VAL A 64 5.707 -0.028 3.951 1.00 0.60 H new ATOM 0 HB VAL A 64 5.520 -2.956 4.564 1.00 0.82 H new ATOM 0 HG11 VAL A 64 5.337 -2.103 6.927 1.00 1.15 H new ATOM 0 HG12 VAL A 64 6.888 -1.639 6.188 1.00 1.15 H new ATOM 0 HG13 VAL A 64 5.577 -0.444 6.330 1.00 1.15 H new ATOM 0 HG21 VAL A 64 3.324 -2.381 5.567 1.00 0.81 H new ATOM 0 HG22 VAL A 64 3.492 -0.716 4.961 1.00 0.81 H new ATOM 0 HG23 VAL A 64 3.351 -2.069 3.815 1.00 0.81 H new ATOM 1024 N ASP A 65 8.244 -0.386 4.154 1.00 0.69 N ATOM 1025 CA ASP A 65 9.699 -0.439 4.124 1.00 0.84 C ATOM 1026 C ASP A 65 10.175 -0.877 2.743 1.00 0.93 C ATOM 1027 O ASP A 65 10.871 -1.884 2.602 1.00 2.00 O ATOM 1028 CB ASP A 65 10.226 -1.373 5.216 1.00 1.05 C ATOM 1029 CG ASP A 65 10.126 -0.824 6.619 1.00 2.06 C ATOM 1030 OD1 ASP A 65 9.486 0.231 6.832 1.00 3.09 O ATOM 1031 OD2 ASP A 65 10.791 -1.449 7.472 1.00 2.85 O ATOM 0 H ASP A 65 7.888 0.442 4.632 1.00 0.69 H new ATOM 0 HA ASP A 65 10.095 0.557 4.322 1.00 0.84 H new ATOM 0 HB2 ASP A 65 9.675 -2.313 5.168 1.00 1.05 H new ATOM 0 HB3 ASP A 65 11.270 -1.604 5.005 1.00 1.05 H new ATOM 1036 N GLN A 66 9.751 -0.141 1.718 1.00 0.91 N ATOM 1037 CA GLN A 66 10.113 -0.334 0.324 1.00 0.95 C ATOM 1038 C GLN A 66 9.758 -1.724 -0.226 1.00 0.90 C ATOM 1039 O GLN A 66 10.189 -2.043 -1.336 1.00 1.06 O ATOM 1040 CB GLN A 66 11.609 -0.045 0.133 1.00 1.08 C ATOM 1041 CG GLN A 66 12.053 1.290 0.748 1.00 3.09 C ATOM 1042 CD GLN A 66 13.535 1.589 0.526 1.00 3.36 C ATOM 1043 OE1 GLN A 66 14.353 0.571 0.293 1.00 4.41 O flip ATOM 1044 NE2 GLN A 66 13.949 2.746 0.586 1.00 3.23 N flip ATOM 0 H GLN A 66 9.114 0.645 1.849 1.00 0.91 H new ATOM 0 HA GLN A 66 9.515 0.372 -0.253 1.00 0.95 H new ATOM 0 HB2 GLN A 66 12.188 -0.853 0.580 1.00 1.08 H new ATOM 0 HB3 GLN A 66 11.838 -0.040 -0.933 1.00 1.08 H new ATOM 0 HG2 GLN A 66 11.458 2.096 0.320 1.00 3.09 H new ATOM 0 HG3 GLN A 66 11.848 1.276 1.818 1.00 3.09 H new ATOM 0 HE21 GLN A 66 13.299 3.511 0.766 1.00 3.23 H new ATOM 0 HE22 GLN A 66 14.942 2.940 0.455 1.00 3.23 H new ATOM 1053 N GLN A 67 8.999 -2.551 0.498 1.00 0.86 N ATOM 1054 CA GLN A 67 8.632 -3.897 0.112 1.00 0.77 C ATOM 1055 C GLN A 67 7.165 -3.875 -0.295 1.00 0.57 C ATOM 1056 O GLN A 67 6.318 -3.424 0.474 1.00 0.57 O ATOM 1057 CB GLN A 67 8.922 -4.855 1.279 1.00 0.78 C ATOM 1058 CG GLN A 67 8.091 -6.136 1.250 1.00 0.80 C ATOM 1059 CD GLN A 67 8.381 -7.020 2.456 1.00 1.34 C ATOM 1060 OE1 GLN A 67 9.338 -6.798 3.200 1.00 2.49 O ATOM 1061 NE2 GLN A 67 7.543 -8.017 2.688 1.00 1.92 N ATOM 0 H GLN A 67 8.613 -2.281 1.403 1.00 0.86 H new ATOM 0 HA GLN A 67 9.215 -4.256 -0.736 1.00 0.77 H new ATOM 0 HB2 GLN A 67 9.979 -5.119 1.265 1.00 0.78 H new ATOM 0 HB3 GLN A 67 8.736 -4.334 2.218 1.00 0.78 H new ATOM 0 HG2 GLN A 67 7.031 -5.882 1.231 1.00 0.80 H new ATOM 0 HG3 GLN A 67 8.304 -6.688 0.334 1.00 0.80 H new ATOM 0 HE21 GLN A 67 6.758 -8.181 2.058 1.00 1.92 H new ATOM 0 HE22 GLN A 67 7.682 -8.622 3.497 1.00 1.92 H new ATOM 1070 N HIS A 68 6.882 -4.342 -1.509 1.00 0.49 N ATOM 1071 CA HIS A 68 5.537 -4.479 -2.040 1.00 0.41 C ATOM 1072 C HIS A 68 4.745 -5.460 -1.184 1.00 0.41 C ATOM 1073 O HIS A 68 5.165 -6.605 -1.011 1.00 0.49 O ATOM 1074 CB HIS A 68 5.638 -4.995 -3.477 1.00 0.50 C ATOM 1075 CG HIS A 68 4.301 -5.343 -4.053 1.00 0.60 C ATOM 1076 ND1 HIS A 68 3.702 -6.576 -3.970 1.00 0.68 N ATOM 1077 CD2 HIS A 68 3.392 -4.463 -4.567 1.00 0.73 C ATOM 1078 CE1 HIS A 68 2.447 -6.442 -4.421 1.00 0.74 C ATOM 1079 NE2 HIS A 68 2.200 -5.168 -4.783 1.00 0.78 N ATOM 0 H HIS A 68 7.604 -4.642 -2.164 1.00 0.49 H new ATOM 0 HA HIS A 68 5.025 -3.517 -2.027 1.00 0.41 H new ATOM 0 HB2 HIS A 68 6.113 -4.237 -4.100 1.00 0.50 H new ATOM 0 HB3 HIS A 68 6.281 -5.875 -3.500 1.00 0.50 H new ATOM 0 HD2 HIS A 68 3.561 -3.416 -4.770 1.00 0.73 H new ATOM 0 HE1 HIS A 68 1.730 -7.247 -4.486 1.00 0.74 H new ATOM 0 HE2 HIS A 68 1.322 -4.792 -5.142 1.00 0.78 H new ATOM 1087 N ILE A 69 3.583 -5.039 -0.688 1.00 0.46 N ATOM 1088 CA ILE A 69 2.719 -5.917 0.077 1.00 0.48 C ATOM 1089 C ILE A 69 1.689 -6.575 -0.835 1.00 0.63 C ATOM 1090 O ILE A 69 1.563 -7.797 -0.872 1.00 0.78 O ATOM 1091 CB ILE A 69 2.047 -5.133 1.207 1.00 0.66 C ATOM 1092 CG1 ILE A 69 3.056 -4.384 2.092 1.00 0.87 C ATOM 1093 CG2 ILE A 69 1.232 -6.116 2.049 1.00 0.73 C ATOM 1094 CD1 ILE A 69 4.116 -5.324 2.660 1.00 0.91 C ATOM 0 H ILE A 69 3.223 -4.092 -0.806 1.00 0.46 H new ATOM 0 HA ILE A 69 3.318 -6.710 0.525 1.00 0.48 H new ATOM 0 HB ILE A 69 1.405 -4.371 0.764 1.00 0.66 H new ATOM 0 HG12 ILE A 69 3.540 -3.600 1.509 1.00 0.87 H new ATOM 0 HG13 ILE A 69 2.529 -3.894 2.910 1.00 0.87 H new ATOM 0 HG21 ILE A 69 0.743 -5.580 2.862 1.00 0.73 H new ATOM 0 HG22 ILE A 69 0.478 -6.593 1.423 1.00 0.73 H new ATOM 0 HG23 ILE A 69 1.894 -6.877 2.463 1.00 0.73 H new ATOM 0 HD11 ILE A 69 4.811 -4.757 3.280 1.00 0.91 H new ATOM 0 HD12 ILE A 69 3.634 -6.093 3.264 1.00 0.91 H new ATOM 0 HD13 ILE A 69 4.661 -5.795 1.842 1.00 0.91 H new ATOM 1106 N GLY A 70 0.933 -5.758 -1.560 1.00 0.83 N ATOM 1107 CA GLY A 70 -0.271 -6.178 -2.266 1.00 1.05 C ATOM 1108 C GLY A 70 -1.422 -5.235 -1.930 1.00 0.94 C ATOM 1109 O GLY A 70 -1.201 -4.032 -1.792 1.00 1.18 O ATOM 0 H GLY A 70 1.144 -4.767 -1.675 1.00 0.83 H new ATOM 0 HA2 GLY A 70 -0.092 -6.179 -3.341 1.00 1.05 H new ATOM 0 HA3 GLY A 70 -0.531 -7.199 -1.985 1.00 1.05 H new ATOM 1113 N GLY A 71 -2.645 -5.744 -1.845 1.00 0.93 N ATOM 1114 CA GLY A 71 -3.824 -4.932 -1.625 1.00 0.86 C ATOM 1115 C GLY A 71 -4.166 -4.839 -0.143 1.00 0.68 C ATOM 1116 O GLY A 71 -3.368 -5.161 0.729 1.00 0.62 O ATOM 0 H GLY A 71 -2.843 -6.741 -1.928 1.00 0.93 H new ATOM 0 HA2 GLY A 71 -3.659 -3.932 -2.025 1.00 0.86 H new ATOM 0 HA3 GLY A 71 -4.667 -5.358 -2.169 1.00 0.86 H new ATOM 1120 N TYR A 72 -5.387 -4.394 0.147 1.00 0.66 N ATOM 1121 CA TYR A 72 -5.924 -4.282 1.497 1.00 0.59 C ATOM 1122 C TYR A 72 -5.686 -5.541 2.336 1.00 0.43 C ATOM 1123 O TYR A 72 -5.064 -5.479 3.391 1.00 0.44 O ATOM 1124 CB TYR A 72 -7.432 -3.991 1.355 1.00 0.84 C ATOM 1125 CG TYR A 72 -8.300 -4.148 2.588 1.00 0.82 C ATOM 1126 CD1 TYR A 72 -7.813 -3.826 3.870 1.00 1.62 C ATOM 1127 CD2 TYR A 72 -9.630 -4.584 2.435 1.00 2.92 C ATOM 1128 CE1 TYR A 72 -8.625 -4.033 4.996 1.00 1.64 C ATOM 1129 CE2 TYR A 72 -10.462 -4.716 3.557 1.00 3.03 C ATOM 1130 CZ TYR A 72 -9.951 -4.456 4.835 1.00 1.25 C ATOM 1131 OH TYR A 72 -10.742 -4.608 5.931 1.00 1.59 O ATOM 0 H TYR A 72 -6.046 -4.094 -0.571 1.00 0.66 H new ATOM 0 HA TYR A 72 -5.412 -3.480 2.028 1.00 0.59 H new ATOM 0 HB2 TYR A 72 -7.544 -2.968 0.995 1.00 0.84 H new ATOM 0 HB3 TYR A 72 -7.829 -4.647 0.580 1.00 0.84 H new ATOM 0 HD1 TYR A 72 -6.818 -3.421 3.986 1.00 1.62 H new ATOM 0 HD2 TYR A 72 -10.011 -4.817 1.452 1.00 2.92 H new ATOM 0 HE1 TYR A 72 -8.228 -3.866 5.986 1.00 1.64 H new ATOM 0 HE2 TYR A 72 -11.492 -5.017 3.436 1.00 3.03 H new ATOM 0 HH TYR A 72 -11.633 -4.905 5.652 1.00 1.59 H new ATOM 1141 N THR A 73 -6.225 -6.672 1.907 1.00 0.58 N ATOM 1142 CA THR A 73 -6.174 -7.888 2.695 1.00 0.73 C ATOM 1143 C THR A 73 -4.723 -8.375 2.824 1.00 0.62 C ATOM 1144 O THR A 73 -4.324 -8.826 3.894 1.00 0.62 O ATOM 1145 CB THR A 73 -7.150 -8.886 2.064 1.00 1.17 C ATOM 1146 OG1 THR A 73 -7.138 -8.707 0.659 1.00 1.72 O ATOM 1147 CG2 THR A 73 -8.581 -8.583 2.518 1.00 1.92 C ATOM 0 H THR A 73 -6.705 -6.770 1.012 1.00 0.58 H new ATOM 0 HA THR A 73 -6.496 -7.735 3.725 1.00 0.73 H new ATOM 0 HB THR A 73 -6.852 -9.893 2.357 1.00 1.17 H new ATOM 0 HG1 THR A 73 -7.758 -9.342 0.243 1.00 1.72 H new ATOM 0 HG21 THR A 73 -9.266 -9.299 2.063 1.00 1.92 H new ATOM 0 HG22 THR A 73 -8.643 -8.661 3.603 1.00 1.92 H new ATOM 0 HG23 THR A 73 -8.854 -7.574 2.211 1.00 1.92 H new ATOM 1155 N ASP A 74 -3.903 -8.206 1.778 1.00 0.62 N ATOM 1156 CA ASP A 74 -2.466 -8.452 1.880 1.00 0.63 C ATOM 1157 C ASP A 74 -1.880 -7.596 2.995 1.00 0.55 C ATOM 1158 O ASP A 74 -1.063 -8.062 3.777 1.00 0.61 O ATOM 1159 CB ASP A 74 -1.713 -8.098 0.592 1.00 0.71 C ATOM 1160 CG ASP A 74 -2.097 -8.941 -0.590 1.00 1.10 C ATOM 1161 OD1 ASP A 74 -1.604 -10.081 -0.692 1.00 2.36 O ATOM 1162 OD2 ASP A 74 -2.879 -8.442 -1.423 1.00 1.48 O ATOM 0 H ASP A 74 -4.213 -7.901 0.856 1.00 0.62 H new ATOM 0 HA ASP A 74 -2.347 -9.517 2.077 1.00 0.63 H new ATOM 0 HB2 ASP A 74 -1.895 -7.050 0.353 1.00 0.71 H new ATOM 0 HB3 ASP A 74 -0.643 -8.203 0.768 1.00 0.71 H new ATOM 1167 N PHE A 75 -2.244 -6.317 3.034 1.00 0.46 N ATOM 1168 CA PHE A 75 -1.660 -5.365 3.956 1.00 0.43 C ATOM 1169 C PHE A 75 -2.057 -5.716 5.388 1.00 0.46 C ATOM 1170 O PHE A 75 -1.239 -5.623 6.306 1.00 0.61 O ATOM 1171 CB PHE A 75 -2.151 -3.966 3.563 1.00 0.42 C ATOM 1172 CG PHE A 75 -1.702 -2.847 4.471 1.00 0.43 C ATOM 1173 CD1 PHE A 75 -0.352 -2.737 4.861 1.00 1.82 C ATOM 1174 CD2 PHE A 75 -2.622 -1.857 4.846 1.00 2.05 C ATOM 1175 CE1 PHE A 75 0.073 -1.630 5.612 1.00 1.81 C ATOM 1176 CE2 PHE A 75 -2.195 -0.760 5.602 1.00 2.08 C ATOM 1177 CZ PHE A 75 -0.845 -0.627 5.958 1.00 0.58 C ATOM 0 H PHE A 75 -2.955 -5.917 2.422 1.00 0.46 H new ATOM 0 HA PHE A 75 -0.571 -5.393 3.906 1.00 0.43 H new ATOM 0 HB2 PHE A 75 -1.809 -3.750 2.551 1.00 0.42 H new ATOM 0 HB3 PHE A 75 -3.241 -3.975 3.536 1.00 0.42 H new ATOM 0 HD1 PHE A 75 0.355 -3.504 4.582 1.00 1.82 H new ATOM 0 HD2 PHE A 75 -3.658 -1.941 4.552 1.00 2.05 H new ATOM 0 HE1 PHE A 75 1.104 -1.550 5.923 1.00 1.81 H new ATOM 0 HE2 PHE A 75 -2.909 -0.012 5.913 1.00 2.08 H new ATOM 0 HZ PHE A 75 -0.512 0.247 6.498 1.00 0.58 H new ATOM 1187 N ALA A 76 -3.315 -6.104 5.590 1.00 0.48 N ATOM 1188 CA ALA A 76 -3.757 -6.649 6.863 1.00 0.58 C ATOM 1189 C ALA A 76 -2.874 -7.842 7.224 1.00 0.71 C ATOM 1190 O ALA A 76 -2.256 -7.866 8.287 1.00 1.01 O ATOM 1191 CB ALA A 76 -5.233 -7.038 6.784 1.00 0.74 C ATOM 0 H ALA A 76 -4.046 -6.049 4.881 1.00 0.48 H new ATOM 0 HA ALA A 76 -3.662 -5.899 7.648 1.00 0.58 H new ATOM 0 HB1 ALA A 76 -5.554 -7.445 7.743 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -5.829 -6.157 6.546 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -5.370 -7.790 6.007 1.00 0.74 H new ATOM 1197 N ALA A 77 -2.782 -8.807 6.310 1.00 0.62 N ATOM 1198 CA ALA A 77 -1.985 -10.005 6.497 1.00 0.64 C ATOM 1199 C ALA A 77 -0.549 -9.659 6.888 1.00 0.63 C ATOM 1200 O ALA A 77 -0.005 -10.278 7.799 1.00 0.86 O ATOM 1201 CB ALA A 77 -2.029 -10.884 5.243 1.00 0.63 C ATOM 0 H ALA A 77 -3.266 -8.773 5.413 1.00 0.62 H new ATOM 0 HA ALA A 77 -2.416 -10.575 7.320 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -1.425 -11.777 5.403 1.00 0.63 H new ATOM 0 HB2 ALA A 77 -3.059 -11.174 5.038 1.00 0.63 H new ATOM 0 HB3 ALA A 77 -1.634 -10.327 4.394 1.00 0.63 H new ATOM 1207 N TRP A 78 0.073 -8.683 6.222 1.00 0.53 N ATOM 1208 CA TRP A 78 1.484 -8.411 6.408 1.00 0.61 C ATOM 1209 C TRP A 78 1.635 -7.846 7.823 1.00 0.70 C ATOM 1210 O TRP A 78 2.480 -8.291 8.600 1.00 0.78 O ATOM 1211 CB TRP A 78 1.972 -7.384 5.377 1.00 0.62 C ATOM 1212 CG TRP A 78 3.416 -6.998 5.551 1.00 0.86 C ATOM 1213 CD1 TRP A 78 4.449 -7.651 4.967 1.00 1.10 C ATOM 1214 CD2 TRP A 78 4.028 -6.002 6.427 1.00 1.06 C ATOM 1215 NE1 TRP A 78 5.643 -7.099 5.375 1.00 1.36 N ATOM 1216 CE2 TRP A 78 5.448 -6.102 6.304 1.00 1.36 C ATOM 1217 CE3 TRP A 78 3.535 -5.048 7.339 1.00 1.15 C ATOM 1218 CZ2 TRP A 78 6.323 -5.314 7.064 1.00 1.66 C ATOM 1219 CZ3 TRP A 78 4.403 -4.293 8.148 1.00 1.50 C ATOM 1220 CH2 TRP A 78 5.796 -4.431 8.015 1.00 1.72 C ATOM 0 H TRP A 78 -0.388 -8.071 5.549 1.00 0.53 H new ATOM 0 HA TRP A 78 2.077 -9.316 6.276 1.00 0.61 H new ATOM 0 HB2 TRP A 78 1.831 -7.791 4.376 1.00 0.62 H new ATOM 0 HB3 TRP A 78 1.354 -6.489 5.447 1.00 0.62 H new ATOM 0 HD1 TRP A 78 4.351 -8.481 4.283 1.00 1.10 H new ATOM 0 HE1 TRP A 78 6.558 -7.392 5.032 1.00 1.36 H new ATOM 0 HE3 TRP A 78 2.469 -4.893 7.418 1.00 1.15 H new ATOM 0 HZ2 TRP A 78 7.391 -5.387 6.918 1.00 1.66 H new ATOM 0 HZ3 TRP A 78 3.998 -3.604 8.875 1.00 1.50 H new ATOM 0 HH2 TRP A 78 6.459 -3.857 8.645 1.00 1.72 H new ATOM 1231 N VAL A 79 0.800 -6.855 8.165 1.00 0.74 N ATOM 1232 CA VAL A 79 0.780 -6.278 9.502 1.00 0.87 C ATOM 1233 C VAL A 79 0.556 -7.374 10.539 1.00 0.81 C ATOM 1234 O VAL A 79 1.098 -7.285 11.638 1.00 0.75 O ATOM 1235 CB VAL A 79 -0.258 -5.142 9.596 1.00 1.06 C ATOM 1236 CG1 VAL A 79 -0.679 -4.835 11.040 1.00 1.06 C ATOM 1237 CG2 VAL A 79 0.328 -3.868 8.969 1.00 1.33 C ATOM 0 H VAL A 79 0.127 -6.438 7.522 1.00 0.74 H new ATOM 0 HA VAL A 79 1.748 -5.824 9.715 1.00 0.87 H new ATOM 0 HB VAL A 79 -1.146 -5.475 9.059 1.00 1.06 H new ATOM 0 HG11 VAL A 79 -1.411 -4.027 11.042 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -1.121 -5.725 11.487 1.00 1.06 H new ATOM 0 HG13 VAL A 79 0.195 -4.534 11.618 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -0.403 -3.062 9.033 1.00 1.33 H new ATOM 0 HG22 VAL A 79 1.233 -3.581 9.505 1.00 1.33 H new ATOM 0 HG23 VAL A 79 0.570 -4.056 7.923 1.00 1.33 H new ATOM 1247 N LYS A 80 -0.225 -8.400 10.212 1.00 0.95 N ATOM 1248 CA LYS A 80 -0.321 -9.564 11.066 1.00 1.13 C ATOM 1249 C LYS A 80 1.047 -10.235 11.182 1.00 1.42 C ATOM 1250 O LYS A 80 1.699 -10.070 12.207 1.00 2.64 O ATOM 1251 CB LYS A 80 -1.480 -10.474 10.640 1.00 1.55 C ATOM 1252 CG LYS A 80 -2.752 -10.137 11.426 1.00 1.63 C ATOM 1253 CD LYS A 80 -3.387 -8.780 11.079 1.00 2.69 C ATOM 1254 CE LYS A 80 -4.332 -8.278 12.181 1.00 3.66 C ATOM 1255 NZ LYS A 80 -5.154 -9.348 12.782 1.00 3.77 N ATOM 0 H LYS A 80 -0.794 -8.443 9.367 1.00 0.95 H new ATOM 0 HA LYS A 80 -0.585 -9.272 12.082 1.00 1.13 H new ATOM 0 HB2 LYS A 80 -1.665 -10.359 9.572 1.00 1.55 H new ATOM 0 HB3 LYS A 80 -1.210 -11.517 10.806 1.00 1.55 H new ATOM 0 HG2 LYS A 80 -3.488 -10.922 11.251 1.00 1.63 H new ATOM 0 HG3 LYS A 80 -2.518 -10.151 12.491 1.00 1.63 H new ATOM 0 HD2 LYS A 80 -2.599 -8.044 10.916 1.00 2.69 H new ATOM 0 HD3 LYS A 80 -3.939 -8.869 10.143 1.00 2.69 H new ATOM 0 HE2 LYS A 80 -3.743 -7.799 12.964 1.00 3.66 H new ATOM 0 HE3 LYS A 80 -4.990 -7.515 11.765 1.00 3.66 H new ATOM 0 HZ1 LYS A 80 -5.883 -8.925 13.391 1.00 3.77 H new ATOM 0 HZ2 LYS A 80 -5.611 -9.900 12.028 1.00 3.77 H new ATOM 0 HZ3 LYS A 80 -4.548 -9.974 13.350 1.00 3.77 H new ATOM 1269 N GLU A 81 1.534 -10.930 10.156 1.00 1.10 N ATOM 1270 CA GLU A 81 2.727 -11.754 10.326 1.00 1.11 C ATOM 1271 C GLU A 81 3.938 -10.976 10.867 1.00 1.10 C ATOM 1272 O GLU A 81 4.823 -11.575 11.488 1.00 1.30 O ATOM 1273 CB GLU A 81 3.054 -12.547 9.055 1.00 1.30 C ATOM 1274 CG GLU A 81 3.073 -11.700 7.779 1.00 1.95 C ATOM 1275 CD GLU A 81 3.800 -12.437 6.685 1.00 2.41 C ATOM 1276 OE1 GLU A 81 5.003 -12.706 6.861 1.00 3.43 O ATOM 1277 OE2 GLU A 81 3.163 -12.824 5.687 1.00 2.54 O ATOM 0 H GLU A 81 1.132 -10.940 9.219 1.00 1.10 H new ATOM 0 HA GLU A 81 2.486 -12.479 11.104 1.00 1.11 H new ATOM 0 HB2 GLU A 81 4.027 -13.024 9.177 1.00 1.30 H new ATOM 0 HB3 GLU A 81 2.321 -13.345 8.938 1.00 1.30 H new ATOM 0 HG2 GLU A 81 2.053 -11.478 7.464 1.00 1.95 H new ATOM 0 HG3 GLU A 81 3.562 -10.745 7.973 1.00 1.95 H new ATOM 1284 N ASN A 82 3.992 -9.661 10.636 1.00 1.11 N ATOM 1285 CA ASN A 82 5.054 -8.798 11.137 1.00 1.15 C ATOM 1286 C ASN A 82 4.765 -8.291 12.549 1.00 1.23 C ATOM 1287 O ASN A 82 5.644 -8.382 13.402 1.00 1.49 O ATOM 1288 CB ASN A 82 5.341 -7.643 10.172 1.00 1.25 C ATOM 1289 CG ASN A 82 6.014 -8.174 8.914 1.00 1.48 C ATOM 1290 OD1 ASN A 82 7.238 -8.188 8.795 1.00 2.21 O ATOM 1291 ND2 ASN A 82 5.229 -8.692 7.987 1.00 1.25 N ATOM 0 H ASN A 82 3.289 -9.165 10.089 1.00 1.11 H new ATOM 0 HA ASN A 82 5.956 -9.407 11.198 1.00 1.15 H new ATOM 0 HB2 ASN A 82 4.412 -7.136 9.912 1.00 1.25 H new ATOM 0 HB3 ASN A 82 5.982 -6.905 10.654 1.00 1.25 H new ATOM 0 HD21 ASN A 82 5.635 -9.114 7.152 1.00 1.25 H new ATOM 0 HD22 ASN A 82 4.216 -8.670 8.106 1.00 1.25 H new ATOM 1298 N LEU A 83 3.586 -7.718 12.806 1.00 1.15 N ATOM 1299 CA LEU A 83 3.274 -7.062 14.076 1.00 1.32 C ATOM 1300 C LEU A 83 2.283 -7.896 14.899 1.00 1.30 C ATOM 1301 O LEU A 83 2.645 -8.438 15.940 1.00 1.72 O ATOM 1302 CB LEU A 83 2.750 -5.627 13.858 1.00 1.41 C ATOM 1303 CG LEU A 83 3.611 -4.727 12.952 1.00 1.41 C ATOM 1304 CD1 LEU A 83 2.915 -3.372 12.797 1.00 1.59 C ATOM 1305 CD2 LEU A 83 4.999 -4.439 13.526 1.00 1.91 C ATOM 0 H LEU A 83 2.818 -7.697 12.135 1.00 1.15 H new ATOM 0 HA LEU A 83 4.201 -6.988 14.644 1.00 1.32 H new ATOM 0 HB2 LEU A 83 1.749 -5.687 13.431 1.00 1.41 H new ATOM 0 HB3 LEU A 83 2.654 -5.144 14.831 1.00 1.41 H new ATOM 0 HG LEU A 83 3.727 -5.262 12.009 1.00 1.41 H new ATOM 0 HD11 LEU A 83 3.516 -2.726 12.157 1.00 1.59 H new ATOM 0 HD12 LEU A 83 1.933 -3.517 12.347 1.00 1.59 H new ATOM 0 HD13 LEU A 83 2.800 -2.908 13.776 1.00 1.59 H new ATOM 0 HD21 LEU A 83 5.552 -3.800 12.838 1.00 1.91 H new ATOM 0 HD22 LEU A 83 4.898 -3.935 14.487 1.00 1.91 H new ATOM 0 HD23 LEU A 83 5.538 -5.377 13.663 1.00 1.91 H new