USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.0813 (180deg=-0.00544) USER MOD Single : A 5 THR OG1 : rot -67:sc= 0.669 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 0.918 (180deg=0.584) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 86:sc= 0.233 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0.523 (180deg=0.489) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00297 F(o=-0.69,f=-0.003) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0292) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0053 USER MOD Single : A 43 ASN : amide:sc= -0.268 K(o=-0.27,f=-3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.666 K(o=-0.67,f=-5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= -0.367 (180deg=-1.61!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.232 11.228 -2.823 1.00 0.13 N ATOM 2 CA MET A 1 -11.256 10.204 -2.477 1.00 42.22 C ATOM 3 C MET A 1 -10.694 8.788 -2.633 1.00 1.40 C ATOM 4 O MET A 1 -9.535 8.607 -3.005 1.00 70.33 O ATOM 5 CB MET A 1 -12.500 10.367 -3.367 1.00 60.33 C ATOM 6 CG MET A 1 -12.236 10.141 -4.851 1.00 54.41 C ATOM 7 SD MET A 1 -13.746 10.196 -5.837 1.00 23.22 S ATOM 8 CE MET A 1 -13.079 9.978 -7.486 1.00 2.22 C ATOM 0 H1 MET A 1 -10.621 11.882 -3.532 1.00 0.13 H new ATOM 0 H2 MET A 1 -9.970 11.759 -1.968 1.00 0.13 H new ATOM 0 H3 MET A 1 -9.389 10.759 -3.211 1.00 0.13 H new ATOM 0 HA MET A 1 -11.537 10.354 -1.435 1.00 42.22 H new ATOM 0 HB2 MET A 1 -13.266 9.667 -3.034 1.00 60.33 H new ATOM 0 HB3 MET A 1 -12.904 11.370 -3.229 1.00 60.33 H new ATOM 0 HG2 MET A 1 -11.542 10.899 -5.213 1.00 54.41 H new ATOM 0 HG3 MET A 1 -11.752 9.174 -4.988 1.00 54.41 H new ATOM 0 HE1 MET A 1 -13.892 9.990 -8.212 1.00 2.22 H new ATOM 0 HE2 MET A 1 -12.384 10.788 -7.707 1.00 2.22 H new ATOM 0 HE3 MET A 1 -12.555 9.024 -7.543 1.00 2.22 H new ATOM 20 N ALA A 2 -11.519 7.783 -2.342 1.00 34.13 N ATOM 21 CA ALA A 2 -11.138 6.387 -2.564 1.00 65.05 C ATOM 22 C ALA A 2 -10.974 6.092 -4.062 1.00 13.41 C ATOM 23 O ALA A 2 -11.919 5.684 -4.738 1.00 70.50 O ATOM 24 CB ALA A 2 -12.165 5.449 -1.940 1.00 33.31 C ATOM 0 H ALA A 2 -12.454 7.908 -1.953 1.00 34.13 H new ATOM 0 HA ALA A 2 -10.175 6.217 -2.082 1.00 65.05 H new ATOM 0 HB1 ALA A 2 -11.867 4.415 -2.114 1.00 33.31 H new ATOM 0 HB2 ALA A 2 -12.223 5.634 -0.867 1.00 33.31 H new ATOM 0 HB3 ALA A 2 -13.141 5.626 -2.392 1.00 33.31 H new ATOM 30 N SER A 3 -9.779 6.347 -4.577 1.00 33.10 N ATOM 31 CA SER A 3 -9.467 6.100 -5.992 1.00 1.05 C ATOM 32 C SER A 3 -8.608 4.837 -6.146 1.00 20.14 C ATOM 33 O SER A 3 -7.842 4.493 -5.246 1.00 25.35 O ATOM 34 CB SER A 3 -8.725 7.306 -6.587 1.00 14.10 C ATOM 35 OG SER A 3 -9.499 8.495 -6.486 1.00 3.34 O ATOM 0 H SER A 3 -9.001 6.727 -4.038 1.00 33.10 H new ATOM 0 HA SER A 3 -10.404 5.953 -6.528 1.00 1.05 H new ATOM 0 HB2 SER A 3 -7.776 7.443 -6.068 1.00 14.10 H new ATOM 0 HB3 SER A 3 -8.491 7.111 -7.633 1.00 14.10 H new ATOM 0 HG SER A 3 -8.999 9.245 -6.872 1.00 3.34 H new ATOM 41 N PRO A 4 -8.722 4.121 -7.286 1.00 54.42 N ATOM 42 CA PRO A 4 -7.917 2.912 -7.530 1.00 32.14 C ATOM 43 C PRO A 4 -6.407 3.213 -7.606 1.00 32.43 C ATOM 44 O PRO A 4 -5.935 3.892 -8.526 1.00 2.03 O ATOM 45 CB PRO A 4 -8.449 2.394 -8.879 1.00 62.40 C ATOM 46 CG PRO A 4 -9.074 3.584 -9.530 1.00 23.21 C ATOM 47 CD PRO A 4 -9.635 4.416 -8.409 1.00 24.15 C ATOM 0 HA PRO A 4 -8.010 2.188 -6.721 1.00 32.14 H new ATOM 0 HB2 PRO A 4 -7.644 1.987 -9.491 1.00 62.40 H new ATOM 0 HB3 PRO A 4 -9.176 1.595 -8.736 1.00 62.40 H new ATOM 0 HG2 PRO A 4 -8.338 4.147 -10.105 1.00 23.21 H new ATOM 0 HG3 PRO A 4 -9.859 3.283 -10.224 1.00 23.21 H new ATOM 0 HD2 PRO A 4 -9.639 5.477 -8.657 1.00 24.15 H new ATOM 0 HD3 PRO A 4 -10.663 4.139 -8.176 1.00 24.15 H new ATOM 55 N THR A 5 -5.653 2.686 -6.643 1.00 71.30 N ATOM 56 CA THR A 5 -4.205 2.924 -6.552 1.00 44.44 C ATOM 57 C THR A 5 -3.422 1.605 -6.513 1.00 70.35 C ATOM 58 O THR A 5 -3.765 0.693 -5.764 1.00 20.33 O ATOM 59 CB THR A 5 -3.846 3.746 -5.285 1.00 1.20 C ATOM 60 OG1 THR A 5 -4.521 5.013 -5.292 1.00 61.21 O ATOM 61 CG2 THR A 5 -2.342 3.980 -5.185 1.00 10.23 C ATOM 0 H THR A 5 -6.021 2.085 -5.906 1.00 71.30 H new ATOM 0 HA THR A 5 -3.927 3.486 -7.443 1.00 44.44 H new ATOM 0 HB THR A 5 -4.171 3.167 -4.421 1.00 1.20 H new ATOM 0 HG1 THR A 5 -4.169 5.567 -6.020 1.00 61.21 H new ATOM 0 HG21 THR A 5 -2.123 4.558 -4.287 1.00 10.23 H new ATOM 0 HG22 THR A 5 -1.827 3.021 -5.133 1.00 10.23 H new ATOM 0 HG23 THR A 5 -2.000 4.529 -6.063 1.00 10.23 H new ATOM 69 N VAL A 6 -2.371 1.507 -7.322 1.00 42.44 N ATOM 70 CA VAL A 6 -1.493 0.335 -7.315 1.00 3.13 C ATOM 71 C VAL A 6 -0.154 0.647 -6.617 1.00 2.41 C ATOM 72 O VAL A 6 0.550 1.598 -6.974 1.00 71.45 O ATOM 73 CB VAL A 6 -1.236 -0.197 -8.751 1.00 13.04 C ATOM 74 CG1 VAL A 6 -0.598 0.872 -9.639 1.00 11.00 C ATOM 75 CG2 VAL A 6 -0.379 -1.464 -8.715 1.00 62.31 C ATOM 0 H VAL A 6 -2.104 2.226 -7.994 1.00 42.44 H new ATOM 0 HA VAL A 6 -2.006 -0.445 -6.752 1.00 3.13 H new ATOM 0 HB VAL A 6 -2.202 -0.451 -9.188 1.00 13.04 H new ATOM 0 HG11 VAL A 6 -0.432 0.465 -10.636 1.00 11.00 H new ATOM 0 HG12 VAL A 6 -1.262 1.734 -9.705 1.00 11.00 H new ATOM 0 HG13 VAL A 6 0.355 1.180 -9.210 1.00 11.00 H new ATOM 0 HG21 VAL A 6 -0.212 -1.819 -9.732 1.00 62.31 H new ATOM 0 HG22 VAL A 6 0.579 -1.242 -8.246 1.00 62.31 H new ATOM 0 HG23 VAL A 6 -0.893 -2.235 -8.142 1.00 62.31 H new ATOM 85 N ILE A 7 0.182 -0.150 -5.609 1.00 14.34 N ATOM 86 CA ILE A 7 1.418 0.039 -4.848 1.00 11.11 C ATOM 87 C ILE A 7 2.492 -0.976 -5.261 1.00 24.51 C ATOM 88 O ILE A 7 2.301 -2.188 -5.130 1.00 33.31 O ATOM 89 CB ILE A 7 1.162 -0.088 -3.326 1.00 62.43 C ATOM 90 CG1 ILE A 7 0.118 0.945 -2.875 1.00 61.30 C ATOM 91 CG2 ILE A 7 2.466 0.083 -2.543 1.00 31.03 C ATOM 92 CD1 ILE A 7 -0.211 0.875 -1.400 1.00 73.41 C ATOM 0 H ILE A 7 -0.385 -0.938 -5.296 1.00 14.34 H new ATOM 0 HA ILE A 7 1.775 1.044 -5.071 1.00 11.11 H new ATOM 0 HB ILE A 7 0.773 -1.085 -3.121 1.00 62.43 H new ATOM 0 HG12 ILE A 7 0.484 1.944 -3.109 1.00 61.30 H new ATOM 0 HG13 ILE A 7 -0.797 0.798 -3.449 1.00 61.30 H new ATOM 0 HG21 ILE A 7 2.264 -0.010 -1.476 1.00 31.03 H new ATOM 0 HG22 ILE A 7 3.176 -0.686 -2.846 1.00 31.03 H new ATOM 0 HG23 ILE A 7 2.887 1.067 -2.749 1.00 31.03 H new ATOM 0 HD11 ILE A 7 -0.955 1.634 -1.157 1.00 73.41 H new ATOM 0 HD12 ILE A 7 -0.608 -0.112 -1.162 1.00 73.41 H new ATOM 0 HD13 ILE A 7 0.693 1.052 -0.817 1.00 73.41 H new ATOM 104 N THR A 8 3.616 -0.473 -5.767 1.00 14.21 N ATOM 105 CA THR A 8 4.755 -1.320 -6.133 1.00 21.45 C ATOM 106 C THR A 8 5.711 -1.484 -4.946 1.00 32.25 C ATOM 107 O THR A 8 6.224 -0.501 -4.408 1.00 53.14 O ATOM 108 CB THR A 8 5.546 -0.730 -7.330 1.00 31.31 C ATOM 109 OG1 THR A 8 4.674 -0.528 -8.454 1.00 31.12 O ATOM 110 CG2 THR A 8 6.694 -1.650 -7.742 1.00 34.14 C ATOM 0 H THR A 8 3.765 0.522 -5.935 1.00 14.21 H new ATOM 0 HA THR A 8 4.349 -2.290 -6.421 1.00 21.45 H new ATOM 0 HB THR A 8 5.961 0.226 -7.012 1.00 31.31 H new ATOM 0 HG1 THR A 8 5.185 -0.154 -9.202 1.00 31.12 H new ATOM 0 HG21 THR A 8 7.229 -1.209 -8.583 1.00 34.14 H new ATOM 0 HG22 THR A 8 7.378 -1.777 -6.903 1.00 34.14 H new ATOM 0 HG23 THR A 8 6.295 -2.621 -8.035 1.00 34.14 H new ATOM 118 N LEU A 9 5.949 -2.724 -4.536 1.00 41.43 N ATOM 119 CA LEU A 9 6.824 -3.002 -3.393 1.00 45.20 C ATOM 120 C LEU A 9 8.292 -3.159 -3.822 1.00 22.21 C ATOM 121 O LEU A 9 8.585 -3.461 -4.978 1.00 15.04 O ATOM 122 CB LEU A 9 6.355 -4.272 -2.665 1.00 65.33 C ATOM 123 CG LEU A 9 4.894 -4.247 -2.187 1.00 55.52 C ATOM 124 CD1 LEU A 9 4.499 -5.591 -1.577 1.00 74.50 C ATOM 125 CD2 LEU A 9 4.676 -3.110 -1.188 1.00 11.11 C ATOM 0 H LEU A 9 5.551 -3.555 -4.974 1.00 41.43 H new ATOM 0 HA LEU A 9 6.763 -2.149 -2.717 1.00 45.20 H new ATOM 0 HB2 LEU A 9 6.489 -5.124 -3.331 1.00 65.33 H new ATOM 0 HB3 LEU A 9 7.001 -4.437 -1.802 1.00 65.33 H new ATOM 0 HG LEU A 9 4.254 -4.069 -3.051 1.00 55.52 H new ATOM 0 HD11 LEU A 9 3.461 -5.549 -1.246 1.00 74.50 H new ATOM 0 HD12 LEU A 9 4.610 -6.377 -2.324 1.00 74.50 H new ATOM 0 HD13 LEU A 9 5.143 -5.807 -0.725 1.00 74.50 H new ATOM 0 HD21 LEU A 9 3.636 -3.108 -0.861 1.00 11.11 H new ATOM 0 HD22 LEU A 9 5.328 -3.253 -0.326 1.00 11.11 H new ATOM 0 HD23 LEU A 9 4.908 -2.158 -1.664 1.00 11.11 H new ATOM 137 N ASN A 10 9.203 -2.940 -2.875 1.00 21.20 N ATOM 138 CA ASN A 10 10.639 -3.167 -3.080 1.00 2.21 C ATOM 139 C ASN A 10 10.908 -4.605 -3.556 1.00 72.25 C ATOM 140 O ASN A 10 11.850 -4.864 -4.303 1.00 20.04 O ATOM 141 CB ASN A 10 11.386 -2.880 -1.769 1.00 74.21 C ATOM 142 CG ASN A 10 12.838 -3.316 -1.799 1.00 65.52 C ATOM 143 OD1 ASN A 10 13.174 -4.417 -1.374 1.00 2.51 O ATOM 144 ND2 ASN A 10 13.705 -2.468 -2.312 1.00 65.25 N ATOM 0 H ASN A 10 8.970 -2.600 -1.942 1.00 21.20 H new ATOM 0 HA ASN A 10 10.999 -2.493 -3.857 1.00 2.21 H new ATOM 0 HB2 ASN A 10 11.339 -1.812 -1.558 1.00 74.21 H new ATOM 0 HB3 ASN A 10 10.878 -3.389 -0.950 1.00 74.21 H new ATOM 0 HD21 ASN A 10 14.692 -2.718 -2.366 1.00 65.25 H new ATOM 0 HD22 ASN A 10 13.389 -1.561 -2.656 1.00 65.25 H new ATOM 151 N ASP A 11 10.052 -5.526 -3.119 1.00 40.42 N ATOM 152 CA ASP A 11 10.111 -6.930 -3.534 1.00 33.11 C ATOM 153 C ASP A 11 9.856 -7.086 -5.048 1.00 45.04 C ATOM 154 O ASP A 11 10.266 -8.069 -5.665 1.00 14.32 O ATOM 155 CB ASP A 11 9.067 -7.719 -2.730 1.00 61.33 C ATOM 156 CG ASP A 11 9.096 -9.206 -3.014 1.00 34.11 C ATOM 157 OD1 ASP A 11 9.972 -9.900 -2.458 1.00 61.44 O ATOM 158 OD2 ASP A 11 8.242 -9.691 -3.785 1.00 65.42 O ATOM 0 H ASP A 11 9.296 -5.322 -2.466 1.00 40.42 H new ATOM 0 HA ASP A 11 11.111 -7.318 -3.337 1.00 33.11 H new ATOM 0 HB2 ASP A 11 9.237 -7.555 -1.666 1.00 61.33 H new ATOM 0 HB3 ASP A 11 8.074 -7.331 -2.957 1.00 61.33 H new ATOM 163 N GLY A 12 9.182 -6.101 -5.636 1.00 34.42 N ATOM 164 CA GLY A 12 8.795 -6.173 -7.040 1.00 42.20 C ATOM 165 C GLY A 12 7.296 -6.396 -7.209 1.00 41.22 C ATOM 166 O GLY A 12 6.692 -5.937 -8.181 1.00 73.43 O ATOM 0 H GLY A 12 8.893 -5.245 -5.162 1.00 34.42 H new ATOM 0 HA2 GLY A 12 9.083 -5.250 -7.543 1.00 42.20 H new ATOM 0 HA3 GLY A 12 9.339 -6.984 -7.525 1.00 42.20 H new ATOM 170 N ARG A 13 6.698 -7.096 -6.245 1.00 43.31 N ATOM 171 CA ARG A 13 5.260 -7.392 -6.257 1.00 14.00 C ATOM 172 C ARG A 13 4.416 -6.106 -6.149 1.00 51.42 C ATOM 173 O ARG A 13 4.770 -5.182 -5.416 1.00 35.30 O ATOM 174 CB ARG A 13 4.912 -8.322 -5.085 1.00 30.23 C ATOM 175 CG ARG A 13 3.497 -8.894 -5.145 1.00 20.33 C ATOM 176 CD ARG A 13 3.084 -9.527 -3.818 1.00 75.14 C ATOM 177 NE ARG A 13 1.878 -10.343 -3.939 1.00 61.41 N ATOM 178 CZ ARG A 13 0.668 -9.876 -4.095 1.00 51.21 C ATOM 179 NH1 ARG A 13 0.450 -8.605 -4.187 1.00 52.53 N ATOM 180 NH2 ARG A 13 -0.332 -10.690 -4.159 1.00 71.11 N ATOM 0 H ARG A 13 7.191 -7.474 -5.436 1.00 43.31 H new ATOM 0 HA ARG A 13 5.028 -7.877 -7.205 1.00 14.00 H new ATOM 0 HB2 ARG A 13 5.625 -9.146 -5.064 1.00 30.23 H new ATOM 0 HB3 ARG A 13 5.032 -7.773 -4.151 1.00 30.23 H new ATOM 0 HG2 ARG A 13 2.795 -8.101 -5.403 1.00 20.33 H new ATOM 0 HG3 ARG A 13 3.440 -9.641 -5.937 1.00 20.33 H new ATOM 0 HD2 ARG A 13 3.901 -10.144 -3.444 1.00 75.14 H new ATOM 0 HD3 ARG A 13 2.915 -8.742 -3.081 1.00 75.14 H new ATOM 0 HE ARG A 13 1.990 -11.356 -3.899 1.00 61.41 H new ATOM 0 HH11 ARG A 13 1.230 -7.949 -4.138 1.00 52.53 H new ATOM 0 HH12 ARG A 13 -0.502 -8.258 -4.309 1.00 52.53 H new ATOM 0 HH21 ARG A 13 -0.176 -11.696 -4.088 1.00 71.11 H new ATOM 0 HH22 ARG A 13 -1.278 -10.328 -4.281 1.00 71.11 H new ATOM 194 N GLU A 14 3.300 -6.056 -6.874 1.00 20.44 N ATOM 195 CA GLU A 14 2.388 -4.905 -6.820 1.00 52.42 C ATOM 196 C GLU A 14 1.014 -5.305 -6.263 1.00 43.44 C ATOM 197 O GLU A 14 0.524 -6.408 -6.519 1.00 31.20 O ATOM 198 CB GLU A 14 2.229 -4.290 -8.217 1.00 52.54 C ATOM 199 CG GLU A 14 3.525 -3.725 -8.786 1.00 53.40 C ATOM 200 CD GLU A 14 3.345 -3.104 -10.160 1.00 42.12 C ATOM 201 OE1 GLU A 14 2.933 -1.930 -10.239 1.00 74.24 O ATOM 202 OE2 GLU A 14 3.625 -3.788 -11.166 1.00 51.30 O ATOM 0 H GLU A 14 3.002 -6.798 -7.508 1.00 20.44 H new ATOM 0 HA GLU A 14 2.823 -4.165 -6.148 1.00 52.42 H new ATOM 0 HB2 GLU A 14 1.844 -5.049 -8.897 1.00 52.54 H new ATOM 0 HB3 GLU A 14 1.485 -3.495 -8.172 1.00 52.54 H new ATOM 0 HG2 GLU A 14 3.919 -2.974 -8.102 1.00 53.40 H new ATOM 0 HG3 GLU A 14 4.267 -4.521 -8.847 1.00 53.40 H new ATOM 209 N ILE A 15 0.407 -4.407 -5.491 1.00 73.31 N ATOM 210 CA ILE A 15 -0.921 -4.644 -4.908 1.00 34.51 C ATOM 211 C ILE A 15 -1.897 -3.525 -5.302 1.00 21.45 C ATOM 212 O ILE A 15 -1.567 -2.344 -5.209 1.00 61.20 O ATOM 213 CB ILE A 15 -0.860 -4.731 -3.359 1.00 63.55 C ATOM 214 CG1 ILE A 15 0.215 -5.740 -2.921 1.00 71.42 C ATOM 215 CG2 ILE A 15 -2.228 -5.121 -2.791 1.00 73.21 C ATOM 216 CD1 ILE A 15 0.351 -5.882 -1.418 1.00 21.45 C ATOM 0 H ILE A 15 0.812 -3.502 -5.251 1.00 73.31 H new ATOM 0 HA ILE A 15 -1.273 -5.597 -5.302 1.00 34.51 H new ATOM 0 HB ILE A 15 -0.592 -3.750 -2.966 1.00 63.55 H new ATOM 0 HG12 ILE A 15 -0.021 -6.715 -3.348 1.00 71.42 H new ATOM 0 HG13 ILE A 15 1.176 -5.435 -3.335 1.00 71.42 H new ATOM 0 HG21 ILE A 15 -2.168 -5.178 -1.704 1.00 73.21 H new ATOM 0 HG22 ILE A 15 -2.967 -4.372 -3.075 1.00 73.21 H new ATOM 0 HG23 ILE A 15 -2.524 -6.092 -3.189 1.00 73.21 H new ATOM 0 HD11 ILE A 15 1.129 -6.611 -1.190 1.00 21.45 H new ATOM 0 HD12 ILE A 15 0.619 -4.919 -0.984 1.00 21.45 H new ATOM 0 HD13 ILE A 15 -0.596 -6.219 -0.997 1.00 21.45 H new ATOM 228 N GLN A 16 -3.096 -3.897 -5.748 1.00 54.12 N ATOM 229 CA GLN A 16 -4.115 -2.911 -6.140 1.00 3.10 C ATOM 230 C GLN A 16 -5.094 -2.625 -4.989 1.00 34.20 C ATOM 231 O GLN A 16 -5.612 -3.548 -4.357 1.00 15.24 O ATOM 232 CB GLN A 16 -4.894 -3.405 -7.364 1.00 72.40 C ATOM 233 CG GLN A 16 -4.017 -3.758 -8.557 1.00 71.32 C ATOM 234 CD GLN A 16 -4.829 -4.178 -9.772 1.00 74.51 C ATOM 235 OE1 GLN A 16 -5.156 -3.227 -10.627 1.00 43.33 O flip ATOM 236 NE2 GLN A 16 -5.157 -5.348 -9.946 1.00 4.32 N flip ATOM 0 H GLN A 16 -3.390 -4.869 -5.848 1.00 54.12 H new ATOM 0 HA GLN A 16 -3.596 -1.985 -6.388 1.00 3.10 H new ATOM 0 HB2 GLN A 16 -5.475 -4.283 -7.082 1.00 72.40 H new ATOM 0 HB3 GLN A 16 -5.605 -2.635 -7.664 1.00 72.40 H new ATOM 0 HG2 GLN A 16 -3.399 -2.899 -8.816 1.00 71.32 H new ATOM 0 HG3 GLN A 16 -3.340 -4.566 -8.280 1.00 71.32 H new ATOM 0 HE21 GLN A 16 -4.888 -6.059 -9.266 1.00 4.32 H new ATOM 0 HE22 GLN A 16 -5.698 -5.609 -10.770 1.00 4.32 H new ATOM 245 N ALA A 17 -5.362 -1.345 -4.741 1.00 61.33 N ATOM 246 CA ALA A 17 -6.238 -0.930 -3.639 1.00 23.10 C ATOM 247 C ALA A 17 -7.408 -0.051 -4.117 1.00 20.00 C ATOM 248 O ALA A 17 -7.270 0.729 -5.061 1.00 71.51 O ATOM 249 CB ALA A 17 -5.422 -0.189 -2.581 1.00 55.43 C ATOM 0 H ALA A 17 -4.985 -0.572 -5.289 1.00 61.33 H new ATOM 0 HA ALA A 17 -6.671 -1.833 -3.208 1.00 23.10 H new ATOM 0 HB1 ALA A 17 -6.077 0.117 -1.765 1.00 55.43 H new ATOM 0 HB2 ALA A 17 -4.644 -0.847 -2.195 1.00 55.43 H new ATOM 0 HB3 ALA A 17 -4.962 0.693 -3.028 1.00 55.43 H new ATOM 255 N VAL A 18 -8.560 -0.188 -3.454 1.00 75.11 N ATOM 256 CA VAL A 18 -9.744 0.639 -3.748 1.00 24.21 C ATOM 257 C VAL A 18 -9.726 1.954 -2.948 1.00 62.33 C ATOM 258 O VAL A 18 -10.497 2.876 -3.220 1.00 63.21 O ATOM 259 CB VAL A 18 -11.056 -0.123 -3.431 1.00 54.34 C ATOM 260 CG1 VAL A 18 -11.223 -1.333 -4.348 1.00 13.54 C ATOM 261 CG2 VAL A 18 -11.089 -0.550 -1.966 1.00 30.43 C ATOM 0 H VAL A 18 -8.702 -0.866 -2.706 1.00 75.11 H new ATOM 0 HA VAL A 18 -9.708 0.868 -4.813 1.00 24.21 H new ATOM 0 HB VAL A 18 -11.891 0.554 -3.612 1.00 54.34 H new ATOM 0 HG11 VAL A 18 -12.151 -1.849 -4.104 1.00 13.54 H new ATOM 0 HG12 VAL A 18 -11.254 -1.001 -5.386 1.00 13.54 H new ATOM 0 HG13 VAL A 18 -10.383 -2.013 -4.210 1.00 13.54 H new ATOM 0 HG21 VAL A 18 -12.018 -1.083 -1.763 1.00 30.43 H new ATOM 0 HG22 VAL A 18 -10.242 -1.204 -1.759 1.00 30.43 H new ATOM 0 HG23 VAL A 18 -11.031 0.332 -1.328 1.00 30.43 H new ATOM 271 N ASP A 19 -8.855 2.014 -1.943 1.00 43.11 N ATOM 272 CA ASP A 19 -8.657 3.222 -1.135 1.00 54.50 C ATOM 273 C ASP A 19 -7.193 3.683 -1.215 1.00 21.32 C ATOM 274 O ASP A 19 -6.290 2.874 -1.438 1.00 33.41 O ATOM 275 CB ASP A 19 -9.050 2.963 0.330 1.00 53.52 C ATOM 276 CG ASP A 19 -10.556 2.938 0.545 1.00 52.53 C ATOM 277 OD1 ASP A 19 -11.189 1.896 0.287 1.00 71.50 O ATOM 278 OD2 ASP A 19 -11.111 3.963 0.993 1.00 64.34 O ATOM 0 H ASP A 19 -8.266 1.230 -1.664 1.00 43.11 H new ATOM 0 HA ASP A 19 -9.297 4.010 -1.532 1.00 54.50 H new ATOM 0 HB2 ASP A 19 -8.627 2.011 0.651 1.00 53.52 H new ATOM 0 HB3 ASP A 19 -8.611 3.736 0.960 1.00 53.52 H new ATOM 283 N THR A 20 -6.962 4.976 -1.002 1.00 3.20 N ATOM 284 CA THR A 20 -5.611 5.545 -1.097 1.00 31.51 C ATOM 285 C THR A 20 -4.792 5.248 0.171 1.00 5.41 C ATOM 286 O THR A 20 -5.271 5.433 1.291 1.00 34.55 O ATOM 287 CB THR A 20 -5.655 7.078 -1.336 1.00 1.02 C ATOM 288 OG1 THR A 20 -6.386 7.736 -0.285 1.00 34.31 O ATOM 289 CG2 THR A 20 -6.301 7.398 -2.682 1.00 61.01 C ATOM 0 H THR A 20 -7.688 5.652 -0.763 1.00 3.20 H new ATOM 0 HA THR A 20 -5.128 5.071 -1.952 1.00 31.51 H new ATOM 0 HB THR A 20 -4.628 7.443 -1.339 1.00 1.02 H new ATOM 0 HG1 THR A 20 -6.401 8.702 -0.452 1.00 34.31 H new ATOM 0 HG21 THR A 20 -6.321 8.478 -2.828 1.00 61.01 H new ATOM 0 HG22 THR A 20 -5.724 6.934 -3.482 1.00 61.01 H new ATOM 0 HG23 THR A 20 -7.320 7.011 -2.698 1.00 61.01 H new ATOM 297 N PRO A 21 -3.538 4.771 0.006 1.00 2.34 N ATOM 298 CA PRO A 21 -2.687 4.344 1.134 1.00 72.54 C ATOM 299 C PRO A 21 -2.297 5.489 2.084 1.00 53.31 C ATOM 300 O PRO A 21 -1.762 6.519 1.660 1.00 30.43 O ATOM 301 CB PRO A 21 -1.438 3.773 0.443 1.00 42.40 C ATOM 302 CG PRO A 21 -1.408 4.440 -0.891 1.00 70.55 C ATOM 303 CD PRO A 21 -2.849 4.610 -1.291 1.00 23.41 C ATOM 0 HA PRO A 21 -3.212 3.634 1.773 1.00 72.54 H new ATOM 0 HB2 PRO A 21 -0.535 3.989 1.014 1.00 42.40 H new ATOM 0 HB3 PRO A 21 -1.501 2.689 0.343 1.00 42.40 H new ATOM 0 HG2 PRO A 21 -0.900 5.403 -0.836 1.00 70.55 H new ATOM 0 HG3 PRO A 21 -0.868 3.835 -1.619 1.00 70.55 H new ATOM 0 HD2 PRO A 21 -2.990 5.479 -1.933 1.00 23.41 H new ATOM 0 HD3 PRO A 21 -3.220 3.745 -1.840 1.00 23.41 H new ATOM 311 N LYS A 22 -2.566 5.297 3.370 1.00 12.22 N ATOM 312 CA LYS A 22 -2.175 6.260 4.403 1.00 1.10 C ATOM 313 C LYS A 22 -0.851 5.843 5.057 1.00 63.23 C ATOM 314 O LYS A 22 -0.707 4.707 5.508 1.00 51.12 O ATOM 315 CB LYS A 22 -3.255 6.348 5.492 1.00 0.12 C ATOM 316 CG LYS A 22 -2.930 7.355 6.599 1.00 44.23 C ATOM 317 CD LYS A 22 -3.800 7.150 7.838 1.00 31.15 C ATOM 318 CE LYS A 22 -3.535 5.792 8.485 1.00 21.12 C ATOM 319 NZ LYS A 22 -4.311 5.597 9.738 1.00 52.43 N ATOM 0 H LYS A 22 -3.057 4.478 3.728 1.00 12.22 H new ATOM 0 HA LYS A 22 -2.056 7.232 3.924 1.00 1.10 H new ATOM 0 HB2 LYS A 22 -4.203 6.622 5.030 1.00 0.12 H new ATOM 0 HB3 LYS A 22 -3.391 5.363 5.937 1.00 0.12 H new ATOM 0 HG2 LYS A 22 -1.880 7.263 6.875 1.00 44.23 H new ATOM 0 HG3 LYS A 22 -3.072 8.367 6.220 1.00 44.23 H new ATOM 0 HD2 LYS A 22 -3.602 7.943 8.559 1.00 31.15 H new ATOM 0 HD3 LYS A 22 -4.852 7.225 7.563 1.00 31.15 H new ATOM 0 HE2 LYS A 22 -3.787 5.001 7.779 1.00 21.12 H new ATOM 0 HE3 LYS A 22 -2.471 5.698 8.702 1.00 21.12 H new ATOM 0 HZ1 LYS A 22 -4.357 4.583 9.963 1.00 52.43 H new ATOM 0 HZ2 LYS A 22 -3.845 6.104 10.517 1.00 52.43 H new ATOM 0 HZ3 LYS A 22 -5.274 5.968 9.611 1.00 52.43 H new ATOM 333 N TYR A 23 0.116 6.754 5.107 1.00 65.21 N ATOM 334 CA TYR A 23 1.348 6.499 5.853 1.00 2.03 C ATOM 335 C TYR A 23 1.150 6.822 7.334 1.00 62.43 C ATOM 336 O TYR A 23 0.935 7.978 7.705 1.00 5.03 O ATOM 337 CB TYR A 23 2.521 7.320 5.305 1.00 60.15 C ATOM 338 CG TYR A 23 3.794 7.163 6.128 1.00 3.12 C ATOM 339 CD1 TYR A 23 4.432 5.929 6.223 1.00 22.15 C ATOM 340 CD2 TYR A 23 4.347 8.238 6.819 1.00 3.14 C ATOM 341 CE1 TYR A 23 5.580 5.773 6.975 1.00 41.20 C ATOM 342 CE2 TYR A 23 5.498 8.088 7.573 1.00 61.02 C ATOM 343 CZ TYR A 23 6.108 6.853 7.648 1.00 71.13 C ATOM 344 OH TYR A 23 7.252 6.695 8.397 1.00 54.30 O ATOM 0 H TYR A 23 0.074 7.664 4.648 1.00 65.21 H new ATOM 0 HA TYR A 23 1.585 5.442 5.737 1.00 2.03 H new ATOM 0 HB2 TYR A 23 2.720 7.017 4.277 1.00 60.15 H new ATOM 0 HB3 TYR A 23 2.240 8.373 5.279 1.00 60.15 H new ATOM 0 HD1 TYR A 23 4.022 5.078 5.699 1.00 22.15 H new ATOM 0 HD2 TYR A 23 3.870 9.205 6.766 1.00 3.14 H new ATOM 0 HE1 TYR A 23 6.062 4.808 7.035 1.00 41.20 H new ATOM 0 HE2 TYR A 23 5.916 8.933 8.100 1.00 61.02 H new ATOM 0 HH TYR A 23 7.495 7.551 8.807 1.00 54.30 H new ATOM 354 N ASP A 24 1.232 5.801 8.176 1.00 71.42 N ATOM 355 CA ASP A 24 1.132 5.986 9.620 1.00 34.33 C ATOM 356 C ASP A 24 2.535 6.048 10.239 1.00 61.41 C ATOM 357 O ASP A 24 3.206 5.028 10.395 1.00 14.50 O ATOM 358 CB ASP A 24 0.311 4.852 10.249 1.00 72.12 C ATOM 359 CG ASP A 24 0.115 5.046 11.743 1.00 74.11 C ATOM 360 OD1 ASP A 24 -0.502 6.057 12.137 1.00 61.33 O ATOM 361 OD2 ASP A 24 0.574 4.195 12.528 1.00 11.14 O ATOM 0 H ASP A 24 1.368 4.833 7.884 1.00 71.42 H new ATOM 0 HA ASP A 24 0.621 6.928 9.821 1.00 34.33 H new ATOM 0 HB2 ASP A 24 -0.662 4.796 9.761 1.00 72.12 H new ATOM 0 HB3 ASP A 24 0.812 3.901 10.071 1.00 72.12 H new ATOM 366 N GLU A 25 2.973 7.257 10.577 1.00 3.25 N ATOM 367 CA GLU A 25 4.316 7.477 11.116 1.00 11.12 C ATOM 368 C GLU A 25 4.461 6.890 12.527 1.00 75.45 C ATOM 369 O GLU A 25 5.552 6.491 12.941 1.00 62.01 O ATOM 370 CB GLU A 25 4.632 8.981 11.127 1.00 42.01 C ATOM 371 CG GLU A 25 6.006 9.320 11.697 1.00 30.11 C ATOM 372 CD GLU A 25 6.311 10.806 11.650 1.00 53.11 C ATOM 373 OE1 GLU A 25 5.815 11.546 12.526 1.00 75.04 O ATOM 374 OE2 GLU A 25 7.049 11.241 10.739 1.00 74.41 O ATOM 0 H GLU A 25 2.415 8.106 10.487 1.00 3.25 H new ATOM 0 HA GLU A 25 5.029 6.962 10.472 1.00 11.12 H new ATOM 0 HB2 GLU A 25 4.568 9.363 10.108 1.00 42.01 H new ATOM 0 HB3 GLU A 25 3.870 9.498 11.710 1.00 42.01 H new ATOM 0 HG2 GLU A 25 6.061 8.975 12.729 1.00 30.11 H new ATOM 0 HG3 GLU A 25 6.770 8.779 11.138 1.00 30.11 H new ATOM 381 N GLU A 26 3.353 6.832 13.259 1.00 54.41 N ATOM 382 CA GLU A 26 3.352 6.294 14.623 1.00 73.41 C ATOM 383 C GLU A 26 3.788 4.819 14.636 1.00 11.42 C ATOM 384 O GLU A 26 4.705 4.437 15.363 1.00 61.40 O ATOM 385 CB GLU A 26 1.958 6.442 15.253 1.00 5.41 C ATOM 386 CG GLU A 26 1.367 7.846 15.135 1.00 62.02 C ATOM 387 CD GLU A 26 2.223 8.926 15.785 1.00 12.25 C ATOM 388 OE1 GLU A 26 3.211 9.372 15.163 1.00 52.03 O ATOM 389 OE2 GLU A 26 1.898 9.355 16.913 1.00 50.31 O ATOM 0 H GLU A 26 2.440 7.151 12.933 1.00 54.41 H new ATOM 0 HA GLU A 26 4.069 6.865 15.213 1.00 73.41 H new ATOM 0 HB2 GLU A 26 1.280 5.733 14.779 1.00 5.41 H new ATOM 0 HB3 GLU A 26 2.017 6.171 16.307 1.00 5.41 H new ATOM 0 HG2 GLU A 26 1.232 8.087 14.080 1.00 62.02 H new ATOM 0 HG3 GLU A 26 0.378 7.854 15.593 1.00 62.02 H new ATOM 396 N SER A 27 3.133 3.997 13.819 1.00 22.12 N ATOM 397 CA SER A 27 3.473 2.568 13.718 1.00 71.25 C ATOM 398 C SER A 27 4.563 2.307 12.667 1.00 25.20 C ATOM 399 O SER A 27 5.282 1.312 12.744 1.00 53.32 O ATOM 400 CB SER A 27 2.228 1.744 13.369 1.00 42.21 C ATOM 401 OG SER A 27 1.191 1.936 14.319 1.00 71.02 O ATOM 0 H SER A 27 2.364 4.289 13.216 1.00 22.12 H new ATOM 0 HA SER A 27 3.858 2.264 14.691 1.00 71.25 H new ATOM 0 HB2 SER A 27 1.871 2.025 12.378 1.00 42.21 H new ATOM 0 HB3 SER A 27 2.491 0.687 13.325 1.00 42.21 H new ATOM 0 HG SER A 27 0.665 2.726 14.074 1.00 71.02 H new ATOM 407 N GLY A 28 4.673 3.195 11.679 1.00 2.12 N ATOM 408 CA GLY A 28 5.679 3.042 10.623 1.00 74.02 C ATOM 409 C GLY A 28 5.180 2.260 9.409 1.00 52.02 C ATOM 410 O GLY A 28 5.968 1.874 8.543 1.00 24.23 O ATOM 0 H GLY A 28 4.084 4.022 11.586 1.00 2.12 H new ATOM 0 HA2 GLY A 28 6.006 4.030 10.299 1.00 74.02 H new ATOM 0 HA3 GLY A 28 6.552 2.537 11.036 1.00 74.02 H new ATOM 414 N PHE A 29 3.872 2.022 9.339 1.00 15.45 N ATOM 415 CA PHE A 29 3.290 1.201 8.266 1.00 75.32 C ATOM 416 C PHE A 29 2.435 2.027 7.288 1.00 45.34 C ATOM 417 O PHE A 29 1.977 3.123 7.605 1.00 23.33 O ATOM 418 CB PHE A 29 2.417 0.083 8.862 1.00 45.40 C ATOM 419 CG PHE A 29 3.162 -0.870 9.766 1.00 2.51 C ATOM 420 CD1 PHE A 29 3.945 -1.883 9.237 1.00 13.41 C ATOM 421 CD2 PHE A 29 3.075 -0.749 11.144 1.00 73.50 C ATOM 422 CE1 PHE A 29 4.625 -2.756 10.064 1.00 73.20 C ATOM 423 CE2 PHE A 29 3.753 -1.619 11.976 1.00 31.21 C ATOM 424 CZ PHE A 29 4.530 -2.623 11.435 1.00 41.05 C ATOM 0 H PHE A 29 3.192 2.383 10.008 1.00 15.45 H new ATOM 0 HA PHE A 29 4.127 0.777 7.712 1.00 75.32 H new ATOM 0 HB2 PHE A 29 1.601 0.536 9.424 1.00 45.40 H new ATOM 0 HB3 PHE A 29 1.967 -0.484 8.047 1.00 45.40 H new ATOM 0 HD1 PHE A 29 4.025 -1.992 8.165 1.00 13.41 H new ATOM 0 HD2 PHE A 29 2.469 0.036 11.573 1.00 73.50 H new ATOM 0 HE1 PHE A 29 5.231 -3.542 9.638 1.00 73.20 H new ATOM 0 HE2 PHE A 29 3.675 -1.514 13.048 1.00 31.21 H new ATOM 0 HZ PHE A 29 5.063 -3.303 12.083 1.00 41.05 H new ATOM 434 N TYR A 30 2.230 1.475 6.095 1.00 30.31 N ATOM 435 CA TYR A 30 1.269 2.012 5.126 1.00 3.02 C ATOM 436 C TYR A 30 -0.022 1.184 5.159 1.00 14.21 C ATOM 437 O TYR A 30 0.004 -0.033 4.957 1.00 14.53 O ATOM 438 CB TYR A 30 1.857 1.983 3.705 1.00 61.03 C ATOM 439 CG TYR A 30 2.873 3.078 3.420 1.00 43.54 C ATOM 440 CD1 TYR A 30 4.193 2.969 3.851 1.00 35.34 C ATOM 441 CD2 TYR A 30 2.512 4.217 2.701 1.00 62.13 C ATOM 442 CE1 TYR A 30 5.115 3.966 3.584 1.00 54.21 C ATOM 443 CE2 TYR A 30 3.431 5.215 2.432 1.00 54.24 C ATOM 444 CZ TYR A 30 4.730 5.083 2.871 1.00 64.33 C ATOM 445 OH TYR A 30 5.645 6.077 2.604 1.00 11.13 O ATOM 0 H TYR A 30 2.723 0.644 5.770 1.00 30.31 H new ATOM 0 HA TYR A 30 1.050 3.045 5.396 1.00 3.02 H new ATOM 0 HB2 TYR A 30 2.330 1.015 3.541 1.00 61.03 H new ATOM 0 HB3 TYR A 30 1.042 2.066 2.986 1.00 61.03 H new ATOM 0 HD1 TYR A 30 4.502 2.093 4.402 1.00 35.34 H new ATOM 0 HD2 TYR A 30 1.497 4.322 2.348 1.00 62.13 H new ATOM 0 HE1 TYR A 30 6.133 3.870 3.933 1.00 54.21 H new ATOM 0 HE2 TYR A 30 3.132 6.094 1.880 1.00 54.24 H new ATOM 0 HH TYR A 30 5.212 6.792 2.092 1.00 11.13 H new ATOM 455 N GLU A 31 -1.145 1.843 5.427 1.00 3.32 N ATOM 456 CA GLU A 31 -2.442 1.162 5.513 1.00 64.55 C ATOM 457 C GLU A 31 -3.291 1.433 4.264 1.00 13.13 C ATOM 458 O GLU A 31 -3.590 2.585 3.941 1.00 40.20 O ATOM 459 CB GLU A 31 -3.202 1.624 6.765 1.00 4.52 C ATOM 460 CG GLU A 31 -2.404 1.490 8.060 1.00 12.01 C ATOM 461 CD GLU A 31 -3.225 1.813 9.300 1.00 12.43 C ATOM 462 OE1 GLU A 31 -3.851 2.889 9.347 1.00 5.45 O ATOM 463 OE2 GLU A 31 -3.262 0.980 10.228 1.00 11.23 O ATOM 0 H GLU A 31 -1.188 2.849 5.589 1.00 3.32 H new ATOM 0 HA GLU A 31 -2.255 0.090 5.578 1.00 64.55 H new ATOM 0 HB2 GLU A 31 -3.494 2.666 6.636 1.00 4.52 H new ATOM 0 HB3 GLU A 31 -4.121 1.044 6.855 1.00 4.52 H new ATOM 0 HG2 GLU A 31 -2.020 0.473 8.140 1.00 12.01 H new ATOM 0 HG3 GLU A 31 -1.541 2.155 8.019 1.00 12.01 H new ATOM 470 N PHE A 32 -3.679 0.369 3.567 1.00 31.14 N ATOM 471 CA PHE A 32 -4.504 0.492 2.357 1.00 45.14 C ATOM 472 C PHE A 32 -5.489 -0.681 2.227 1.00 43.20 C ATOM 473 O PHE A 32 -5.272 -1.759 2.785 1.00 53.15 O ATOM 474 CB PHE A 32 -3.616 0.587 1.105 1.00 60.14 C ATOM 475 CG PHE A 32 -2.669 -0.575 0.924 1.00 12.24 C ATOM 476 CD1 PHE A 32 -1.479 -0.637 1.638 1.00 62.13 C ATOM 477 CD2 PHE A 32 -2.959 -1.594 0.028 1.00 3.32 C ATOM 478 CE1 PHE A 32 -0.606 -1.694 1.467 1.00 53.03 C ATOM 479 CE2 PHE A 32 -2.089 -2.653 -0.144 1.00 22.45 C ATOM 480 CZ PHE A 32 -0.910 -2.701 0.572 1.00 64.44 C ATOM 0 H PHE A 32 -3.438 -0.591 3.815 1.00 31.14 H new ATOM 0 HA PHE A 32 -5.086 1.409 2.445 1.00 45.14 H new ATOM 0 HB2 PHE A 32 -4.255 0.660 0.225 1.00 60.14 H new ATOM 0 HB3 PHE A 32 -3.036 1.509 1.154 1.00 60.14 H new ATOM 0 HD1 PHE A 32 -1.233 0.150 2.335 1.00 62.13 H new ATOM 0 HD2 PHE A 32 -3.876 -1.559 -0.542 1.00 3.32 H new ATOM 0 HE1 PHE A 32 0.313 -1.733 2.033 1.00 53.03 H new ATOM 0 HE2 PHE A 32 -2.331 -3.444 -0.839 1.00 22.45 H new ATOM 0 HZ PHE A 32 -0.226 -3.525 0.433 1.00 64.44 H new ATOM 490 N LYS A 33 -6.572 -0.462 1.485 1.00 50.42 N ATOM 491 CA LYS A 33 -7.624 -1.475 1.324 1.00 63.21 C ATOM 492 C LYS A 33 -7.575 -2.110 -0.076 1.00 52.50 C ATOM 493 O LYS A 33 -7.873 -1.451 -1.070 1.00 45.04 O ATOM 494 CB LYS A 33 -9.000 -0.838 1.555 1.00 45.34 C ATOM 495 CG LYS A 33 -10.155 -1.839 1.592 1.00 54.54 C ATOM 496 CD LYS A 33 -11.511 -1.138 1.535 1.00 14.34 C ATOM 497 CE LYS A 33 -11.702 -0.154 2.687 1.00 51.40 C ATOM 498 NZ LYS A 33 -12.829 0.781 2.429 1.00 21.34 N ATOM 0 H LYS A 33 -6.749 0.408 0.983 1.00 50.42 H new ATOM 0 HA LYS A 33 -7.455 -2.260 2.061 1.00 63.21 H new ATOM 0 HB2 LYS A 33 -8.980 -0.288 2.496 1.00 45.34 H new ATOM 0 HB3 LYS A 33 -9.189 -0.111 0.765 1.00 45.34 H new ATOM 0 HG2 LYS A 33 -10.066 -2.529 0.753 1.00 54.54 H new ATOM 0 HG3 LYS A 33 -10.091 -2.435 2.502 1.00 54.54 H new ATOM 0 HD2 LYS A 33 -11.604 -0.607 0.587 1.00 14.34 H new ATOM 0 HD3 LYS A 33 -12.305 -1.884 1.562 1.00 14.34 H new ATOM 0 HE2 LYS A 33 -11.889 -0.705 3.609 1.00 51.40 H new ATOM 0 HE3 LYS A 33 -10.784 0.415 2.836 1.00 51.40 H new ATOM 0 HZ1 LYS A 33 -13.006 1.355 3.278 1.00 21.34 H new ATOM 0 HZ2 LYS A 33 -12.587 1.406 1.634 1.00 21.34 H new ATOM 0 HZ3 LYS A 33 -13.684 0.238 2.194 1.00 21.34 H new ATOM 512 N GLN A 34 -7.203 -3.390 -0.138 1.00 74.12 N ATOM 513 CA GLN A 34 -7.088 -4.121 -1.412 1.00 35.50 C ATOM 514 C GLN A 34 -8.429 -4.188 -2.169 1.00 32.23 C ATOM 515 O GLN A 34 -9.490 -3.913 -1.604 1.00 41.11 O ATOM 516 CB GLN A 34 -6.590 -5.550 -1.147 1.00 2.32 C ATOM 517 CG GLN A 34 -5.260 -5.622 -0.405 1.00 30.02 C ATOM 518 CD GLN A 34 -4.820 -7.054 -0.134 1.00 1.12 C ATOM 519 OE1 GLN A 34 -5.220 -7.603 0.999 1.00 13.21 O flip ATOM 520 NE2 GLN A 34 -4.133 -7.668 -0.943 1.00 54.21 N flip ATOM 0 H GLN A 34 -6.974 -3.950 0.683 1.00 74.12 H new ATOM 0 HA GLN A 34 -6.377 -3.577 -2.034 1.00 35.50 H new ATOM 0 HB2 GLN A 34 -7.345 -6.084 -0.570 1.00 2.32 H new ATOM 0 HB3 GLN A 34 -6.490 -6.070 -2.100 1.00 2.32 H new ATOM 0 HG2 GLN A 34 -4.493 -5.114 -0.990 1.00 30.02 H new ATOM 0 HG3 GLN A 34 -5.346 -5.087 0.541 1.00 30.02 H new ATOM 0 HE21 GLN A 34 -3.840 -7.217 -1.809 1.00 54.21 H new ATOM 0 HE22 GLN A 34 -3.855 -8.630 -0.750 1.00 54.21 H new ATOM 529 N LEU A 35 -8.381 -4.584 -3.445 1.00 73.22 N ATOM 530 CA LEU A 35 -9.603 -4.760 -4.249 1.00 2.33 C ATOM 531 C LEU A 35 -10.520 -5.835 -3.637 1.00 55.01 C ATOM 532 O LEU A 35 -11.721 -5.877 -3.906 1.00 22.12 O ATOM 533 CB LEU A 35 -9.259 -5.152 -5.693 1.00 13.41 C ATOM 534 CG LEU A 35 -8.339 -4.184 -6.457 1.00 13.34 C ATOM 535 CD1 LEU A 35 -8.118 -4.670 -7.887 1.00 72.03 C ATOM 536 CD2 LEU A 35 -8.902 -2.766 -6.458 1.00 13.12 C ATOM 0 H LEU A 35 -7.516 -4.789 -3.945 1.00 73.22 H new ATOM 0 HA LEU A 35 -10.128 -3.805 -4.252 1.00 2.33 H new ATOM 0 HB2 LEU A 35 -8.787 -6.134 -5.678 1.00 13.41 H new ATOM 0 HB3 LEU A 35 -10.189 -5.254 -6.252 1.00 13.41 H new ATOM 0 HG LEU A 35 -7.379 -4.163 -5.942 1.00 13.34 H new ATOM 0 HD11 LEU A 35 -7.465 -3.973 -8.411 1.00 72.03 H new ATOM 0 HD12 LEU A 35 -7.655 -5.657 -7.869 1.00 72.03 H new ATOM 0 HD13 LEU A 35 -9.076 -4.728 -8.404 1.00 72.03 H new ATOM 0 HD21 LEU A 35 -8.228 -2.107 -7.006 1.00 13.12 H new ATOM 0 HD22 LEU A 35 -9.881 -2.764 -6.937 1.00 13.12 H new ATOM 0 HD23 LEU A 35 -9.000 -2.413 -5.432 1.00 13.12 H new ATOM 548 N ASP A 36 -9.932 -6.706 -2.819 1.00 30.02 N ATOM 549 CA ASP A 36 -10.676 -7.763 -2.122 1.00 22.30 C ATOM 550 C ASP A 36 -11.503 -7.200 -0.954 1.00 1.22 C ATOM 551 O ASP A 36 -12.343 -7.895 -0.385 1.00 34.04 O ATOM 552 CB ASP A 36 -9.691 -8.808 -1.589 1.00 33.02 C ATOM 553 CG ASP A 36 -8.746 -9.299 -2.666 1.00 51.53 C ATOM 554 OD1 ASP A 36 -7.670 -8.691 -2.840 1.00 33.43 O ATOM 555 OD2 ASP A 36 -9.074 -10.290 -3.351 1.00 52.42 O ATOM 0 H ASP A 36 -8.932 -6.703 -2.619 1.00 30.02 H new ATOM 0 HA ASP A 36 -11.365 -8.217 -2.834 1.00 22.30 H new ATOM 0 HB2 ASP A 36 -9.115 -8.378 -0.770 1.00 33.02 H new ATOM 0 HB3 ASP A 36 -10.245 -9.653 -1.180 1.00 33.02 H new ATOM 560 N GLY A 37 -11.252 -5.940 -0.601 1.00 72.45 N ATOM 561 CA GLY A 37 -11.912 -5.333 0.548 1.00 24.11 C ATOM 562 C GLY A 37 -11.087 -5.435 1.829 1.00 35.31 C ATOM 563 O GLY A 37 -11.457 -4.868 2.858 1.00 44.12 O ATOM 0 H GLY A 37 -10.601 -5.326 -1.091 1.00 72.45 H new ATOM 0 HA2 GLY A 37 -12.112 -4.283 0.333 1.00 24.11 H new ATOM 0 HA3 GLY A 37 -12.877 -5.816 0.704 1.00 24.11 H new ATOM 567 N LYS A 38 -9.961 -6.144 1.758 1.00 32.30 N ATOM 568 CA LYS A 38 -9.088 -6.349 2.920 1.00 70.14 C ATOM 569 C LYS A 38 -8.142 -5.158 3.145 1.00 51.30 C ATOM 570 O LYS A 38 -7.323 -4.835 2.283 1.00 21.03 O ATOM 571 CB LYS A 38 -8.246 -7.622 2.736 1.00 60.43 C ATOM 572 CG LYS A 38 -9.061 -8.905 2.604 1.00 53.14 C ATOM 573 CD LYS A 38 -8.158 -10.137 2.558 1.00 3.24 C ATOM 574 CE LYS A 38 -8.960 -11.432 2.491 1.00 33.31 C ATOM 575 NZ LYS A 38 -9.730 -11.557 1.223 1.00 2.31 N ATOM 0 H LYS A 38 -9.628 -6.590 0.903 1.00 32.30 H new ATOM 0 HA LYS A 38 -9.735 -6.447 3.791 1.00 70.14 H new ATOM 0 HB2 LYS A 38 -7.626 -7.507 1.847 1.00 60.43 H new ATOM 0 HB3 LYS A 38 -7.570 -7.721 3.585 1.00 60.43 H new ATOM 0 HG2 LYS A 38 -9.750 -8.988 3.445 1.00 53.14 H new ATOM 0 HG3 LYS A 38 -9.666 -8.862 1.699 1.00 53.14 H new ATOM 0 HD2 LYS A 38 -7.501 -10.072 1.691 1.00 3.24 H new ATOM 0 HD3 LYS A 38 -7.520 -10.151 3.441 1.00 3.24 H new ATOM 0 HE2 LYS A 38 -8.283 -12.281 2.587 1.00 33.31 H new ATOM 0 HE3 LYS A 38 -9.647 -11.475 3.336 1.00 33.31 H new ATOM 0 HZ1 LYS A 38 -10.191 -12.489 1.187 1.00 2.31 H new ATOM 0 HZ2 LYS A 38 -10.454 -10.811 1.181 1.00 2.31 H new ATOM 0 HZ3 LYS A 38 -9.084 -11.458 0.414 1.00 2.31 H new ATOM 589 N GLN A 39 -8.246 -4.518 4.310 1.00 44.53 N ATOM 590 CA GLN A 39 -7.310 -3.453 4.693 1.00 31.25 C ATOM 591 C GLN A 39 -6.041 -4.067 5.304 1.00 11.51 C ATOM 592 O GLN A 39 -6.093 -4.672 6.374 1.00 21.45 O ATOM 593 CB GLN A 39 -7.962 -2.490 5.702 1.00 53.44 C ATOM 594 CG GLN A 39 -7.090 -1.282 6.049 1.00 12.55 C ATOM 595 CD GLN A 39 -7.674 -0.427 7.163 1.00 2.25 C ATOM 596 OE1 GLN A 39 -7.379 -0.628 8.335 1.00 43.33 O ATOM 597 NE2 GLN A 39 -8.508 0.529 6.809 1.00 63.32 N ATOM 0 H GLN A 39 -8.966 -4.715 5.005 1.00 44.53 H new ATOM 0 HA GLN A 39 -7.045 -2.889 3.799 1.00 31.25 H new ATOM 0 HB2 GLN A 39 -8.910 -2.138 5.295 1.00 53.44 H new ATOM 0 HB3 GLN A 39 -8.191 -3.037 6.617 1.00 53.44 H new ATOM 0 HG2 GLN A 39 -6.100 -1.629 6.346 1.00 12.55 H new ATOM 0 HG3 GLN A 39 -6.959 -0.668 5.158 1.00 12.55 H new ATOM 0 HE21 GLN A 39 -8.733 0.671 5.824 1.00 63.32 H new ATOM 0 HE22 GLN A 39 -8.929 1.128 7.520 1.00 63.32 H new ATOM 606 N THR A 40 -4.909 -3.933 4.620 1.00 21.40 N ATOM 607 CA THR A 40 -3.650 -4.535 5.090 1.00 54.24 C ATOM 608 C THR A 40 -2.595 -3.469 5.415 1.00 31.32 C ATOM 609 O THR A 40 -2.606 -2.373 4.850 1.00 23.13 O ATOM 610 CB THR A 40 -3.067 -5.534 4.058 1.00 45.23 C ATOM 611 OG1 THR A 40 -1.861 -6.127 4.566 1.00 75.21 O ATOM 612 CG2 THR A 40 -2.785 -4.858 2.717 1.00 63.21 C ATOM 0 H THR A 40 -4.830 -3.418 3.743 1.00 21.40 H new ATOM 0 HA THR A 40 -3.896 -5.077 6.003 1.00 54.24 H new ATOM 0 HB THR A 40 -3.814 -6.311 3.895 1.00 45.23 H new ATOM 0 HG1 THR A 40 -1.503 -6.757 3.906 1.00 75.21 H new ATOM 0 HG21 THR A 40 -2.377 -5.590 2.019 1.00 63.21 H new ATOM 0 HG22 THR A 40 -3.711 -4.449 2.314 1.00 63.21 H new ATOM 0 HG23 THR A 40 -2.065 -4.052 2.860 1.00 63.21 H new ATOM 620 N ARG A 41 -1.687 -3.802 6.336 1.00 12.51 N ATOM 621 CA ARG A 41 -0.634 -2.877 6.778 1.00 63.23 C ATOM 622 C ARG A 41 0.756 -3.430 6.408 1.00 73.23 C ATOM 623 O ARG A 41 1.093 -4.562 6.764 1.00 5.45 O ATOM 624 CB ARG A 41 -0.714 -2.686 8.302 1.00 3.43 C ATOM 625 CG ARG A 41 -2.116 -2.361 8.813 1.00 74.23 C ATOM 626 CD ARG A 41 -2.180 -2.340 10.339 1.00 71.42 C ATOM 627 NE ARG A 41 -1.613 -1.119 10.912 1.00 24.34 N ATOM 628 CZ ARG A 41 -0.888 -1.079 12.000 1.00 71.24 C ATOM 629 NH1 ARG A 41 -0.489 -2.170 12.570 1.00 62.05 N ATOM 630 NH2 ARG A 41 -0.543 0.058 12.506 1.00 21.30 N ATOM 0 H ARG A 41 -1.658 -4.713 6.795 1.00 12.51 H new ATOM 0 HA ARG A 41 -0.782 -1.919 6.279 1.00 63.23 H new ATOM 0 HB2 ARG A 41 -0.361 -3.594 8.791 1.00 3.43 H new ATOM 0 HB3 ARG A 41 -0.037 -1.883 8.594 1.00 3.43 H new ATOM 0 HG2 ARG A 41 -2.428 -1.392 8.424 1.00 74.23 H new ATOM 0 HG3 ARG A 41 -2.821 -3.099 8.431 1.00 74.23 H new ATOM 0 HD2 ARG A 41 -3.218 -2.437 10.656 1.00 71.42 H new ATOM 0 HD3 ARG A 41 -1.644 -3.204 10.733 1.00 71.42 H new ATOM 0 HE ARG A 41 -1.796 -0.239 10.430 1.00 24.34 H new ATOM 0 HH11 ARG A 41 -0.739 -3.075 12.171 1.00 62.05 H new ATOM 0 HH12 ARG A 41 0.076 -2.125 13.418 1.00 62.05 H new ATOM 0 HH21 ARG A 41 -0.836 0.926 12.057 1.00 21.30 H new ATOM 0 HH22 ARG A 41 0.022 0.088 13.354 1.00 21.30 H new ATOM 644 N ILE A 42 1.563 -2.636 5.711 1.00 42.53 N ATOM 645 CA ILE A 42 2.913 -3.068 5.313 1.00 5.41 C ATOM 646 C ILE A 42 3.966 -2.009 5.687 1.00 51.21 C ATOM 647 O ILE A 42 3.690 -0.814 5.646 1.00 33.05 O ATOM 648 CB ILE A 42 2.972 -3.380 3.792 1.00 51.41 C ATOM 649 CG1 ILE A 42 4.301 -4.060 3.430 1.00 40.22 C ATOM 650 CG2 ILE A 42 2.770 -2.108 2.965 1.00 12.23 C ATOM 651 CD1 ILE A 42 4.347 -4.605 2.019 1.00 2.34 C ATOM 0 H ILE A 42 1.314 -1.694 5.408 1.00 42.53 H new ATOM 0 HA ILE A 42 3.142 -3.983 5.859 1.00 5.41 H new ATOM 0 HB ILE A 42 2.160 -4.068 3.555 1.00 51.41 H new ATOM 0 HG12 ILE A 42 5.112 -3.343 3.558 1.00 40.22 H new ATOM 0 HG13 ILE A 42 4.483 -4.875 4.130 1.00 40.22 H new ATOM 0 HG21 ILE A 42 2.816 -2.353 1.904 1.00 12.23 H new ATOM 0 HG22 ILE A 42 1.797 -1.675 3.196 1.00 12.23 H new ATOM 0 HG23 ILE A 42 3.553 -1.389 3.206 1.00 12.23 H new ATOM 0 HD11 ILE A 42 5.317 -5.069 1.840 1.00 2.34 H new ATOM 0 HD12 ILE A 42 3.560 -5.348 1.890 1.00 2.34 H new ATOM 0 HD13 ILE A 42 4.198 -3.791 1.310 1.00 2.34 H new ATOM 663 N ASN A 43 5.170 -2.447 6.064 1.00 40.24 N ATOM 664 CA ASN A 43 6.193 -1.531 6.592 1.00 3.41 C ATOM 665 C ASN A 43 6.705 -0.536 5.531 1.00 11.21 C ATOM 666 O ASN A 43 6.745 -0.832 4.333 1.00 24.31 O ATOM 667 CB ASN A 43 7.365 -2.317 7.191 1.00 50.24 C ATOM 668 CG ASN A 43 8.316 -1.423 7.976 1.00 73.21 C ATOM 669 OD1 ASN A 43 7.911 -0.422 8.552 1.00 41.52 O ATOM 670 ND2 ASN A 43 9.585 -1.768 8.000 1.00 52.41 N ATOM 0 H ASN A 43 5.462 -3.423 6.015 1.00 40.24 H new ATOM 0 HA ASN A 43 5.714 -0.945 7.376 1.00 3.41 H new ATOM 0 HB2 ASN A 43 6.979 -3.098 7.846 1.00 50.24 H new ATOM 0 HB3 ASN A 43 7.914 -2.814 6.391 1.00 50.24 H new ATOM 0 HD21 ASN A 43 10.260 -1.196 8.508 1.00 52.41 H new ATOM 0 HD22 ASN A 43 9.895 -2.608 7.511 1.00 52.41 H new ATOM 677 N LYS A 44 7.113 0.641 6.006 1.00 65.10 N ATOM 678 CA LYS A 44 7.554 1.753 5.148 1.00 63.40 C ATOM 679 C LYS A 44 8.747 1.403 4.233 1.00 10.03 C ATOM 680 O LYS A 44 8.984 2.087 3.238 1.00 61.03 O ATOM 681 CB LYS A 44 7.911 2.960 6.030 1.00 4.23 C ATOM 682 CG LYS A 44 8.904 2.625 7.141 1.00 70.23 C ATOM 683 CD LYS A 44 9.154 3.812 8.068 1.00 42.20 C ATOM 684 CE LYS A 44 10.020 3.421 9.262 1.00 23.54 C ATOM 685 NZ LYS A 44 10.303 4.580 10.146 1.00 33.12 N ATOM 0 H LYS A 44 7.149 0.856 7.002 1.00 65.10 H new ATOM 0 HA LYS A 44 6.722 1.985 4.483 1.00 63.40 H new ATOM 0 HB2 LYS A 44 8.330 3.748 5.403 1.00 4.23 H new ATOM 0 HB3 LYS A 44 6.999 3.358 6.475 1.00 4.23 H new ATOM 0 HG2 LYS A 44 8.525 1.785 7.723 1.00 70.23 H new ATOM 0 HG3 LYS A 44 9.848 2.307 6.699 1.00 70.23 H new ATOM 0 HD2 LYS A 44 9.641 4.613 7.511 1.00 42.20 H new ATOM 0 HD3 LYS A 44 8.201 4.204 8.422 1.00 42.20 H new ATOM 0 HE2 LYS A 44 9.517 2.642 9.835 1.00 23.54 H new ATOM 0 HE3 LYS A 44 10.960 2.999 8.906 1.00 23.54 H new ATOM 0 HZ1 LYS A 44 10.894 4.272 10.944 1.00 33.12 H new ATOM 0 HZ2 LYS A 44 10.806 5.313 9.607 1.00 33.12 H new ATOM 0 HZ3 LYS A 44 9.408 4.968 10.507 1.00 33.12 H new ATOM 699 N ASP A 45 9.498 0.354 4.560 1.00 73.14 N ATOM 700 CA ASP A 45 10.667 -0.025 3.755 1.00 61.53 C ATOM 701 C ASP A 45 10.279 -0.907 2.553 1.00 21.43 C ATOM 702 O ASP A 45 11.002 -0.967 1.555 1.00 45.14 O ATOM 703 CB ASP A 45 11.712 -0.740 4.624 1.00 25.44 C ATOM 704 CG ASP A 45 11.211 -2.040 5.239 1.00 52.22 C ATOM 705 OD1 ASP A 45 9.986 -2.271 5.271 1.00 24.31 O ATOM 706 OD2 ASP A 45 12.052 -2.840 5.704 1.00 61.21 O ATOM 0 H ASP A 45 9.325 -0.246 5.367 1.00 73.14 H new ATOM 0 HA ASP A 45 11.100 0.895 3.362 1.00 61.53 H new ATOM 0 HB2 ASP A 45 12.593 -0.951 4.018 1.00 25.44 H new ATOM 0 HB3 ASP A 45 12.028 -0.069 5.423 1.00 25.44 H new ATOM 711 N GLN A 46 9.132 -1.578 2.648 1.00 11.11 N ATOM 712 CA GLN A 46 8.690 -2.507 1.604 1.00 3.35 C ATOM 713 C GLN A 46 8.004 -1.783 0.437 1.00 71.23 C ATOM 714 O GLN A 46 7.810 -2.366 -0.625 1.00 2.43 O ATOM 715 CB GLN A 46 7.736 -3.558 2.195 1.00 45.51 C ATOM 716 CG GLN A 46 8.339 -4.395 3.321 1.00 73.53 C ATOM 717 CD GLN A 46 9.416 -5.367 2.855 1.00 13.24 C ATOM 718 OE1 GLN A 46 10.117 -5.131 1.874 1.00 65.42 O ATOM 719 NE2 GLN A 46 9.557 -6.473 3.556 1.00 21.22 N ATOM 0 H GLN A 46 8.490 -1.497 3.437 1.00 11.11 H new ATOM 0 HA GLN A 46 9.581 -2.998 1.213 1.00 3.35 H new ATOM 0 HB2 GLN A 46 6.846 -3.053 2.571 1.00 45.51 H new ATOM 0 HB3 GLN A 46 7.411 -4.225 1.397 1.00 45.51 H new ATOM 0 HG2 GLN A 46 8.765 -3.727 4.070 1.00 73.53 H new ATOM 0 HG3 GLN A 46 7.543 -4.956 3.810 1.00 73.53 H new ATOM 0 HE21 GLN A 46 8.961 -6.643 4.366 1.00 21.22 H new ATOM 0 HE22 GLN A 46 10.262 -7.160 3.289 1.00 21.22 H new ATOM 728 N VAL A 47 7.631 -0.520 0.627 1.00 73.04 N ATOM 729 CA VAL A 47 6.979 0.254 -0.437 1.00 51.55 C ATOM 730 C VAL A 47 8.010 0.953 -1.349 1.00 14.42 C ATOM 731 O VAL A 47 8.782 1.807 -0.910 1.00 34.31 O ATOM 732 CB VAL A 47 5.991 1.301 0.143 1.00 60.14 C ATOM 733 CG1 VAL A 47 6.695 2.256 1.103 1.00 35.44 C ATOM 734 CG2 VAL A 47 5.294 2.072 -0.979 1.00 30.53 C ATOM 0 H VAL A 47 7.766 -0.010 1.500 1.00 73.04 H new ATOM 0 HA VAL A 47 6.415 -0.458 -1.039 1.00 51.55 H new ATOM 0 HB VAL A 47 5.231 0.762 0.709 1.00 60.14 H new ATOM 0 HG11 VAL A 47 5.976 2.977 1.492 1.00 35.44 H new ATOM 0 HG12 VAL A 47 7.124 1.690 1.930 1.00 35.44 H new ATOM 0 HG13 VAL A 47 7.488 2.784 0.574 1.00 35.44 H new ATOM 0 HG21 VAL A 47 4.607 2.800 -0.548 1.00 30.53 H new ATOM 0 HG22 VAL A 47 6.040 2.590 -1.582 1.00 30.53 H new ATOM 0 HG23 VAL A 47 4.738 1.376 -1.608 1.00 30.53 H new ATOM 744 N ARG A 48 8.043 0.552 -2.618 1.00 72.42 N ATOM 745 CA ARG A 48 8.930 1.170 -3.609 1.00 23.23 C ATOM 746 C ARG A 48 8.304 2.451 -4.183 1.00 34.33 C ATOM 747 O ARG A 48 8.834 3.551 -4.013 1.00 32.40 O ATOM 748 CB ARG A 48 9.227 0.181 -4.746 1.00 1.14 C ATOM 749 CG ARG A 48 10.292 0.661 -5.727 1.00 51.45 C ATOM 750 CD ARG A 48 10.456 -0.300 -6.901 1.00 14.02 C ATOM 751 NE ARG A 48 11.611 0.040 -7.727 1.00 62.11 N ATOM 752 CZ ARG A 48 11.547 0.464 -8.961 1.00 72.55 C ATOM 753 NH1 ARG A 48 10.408 0.652 -9.550 1.00 1.32 N ATOM 754 NH2 ARG A 48 12.637 0.705 -9.606 1.00 52.14 N ATOM 0 H ARG A 48 7.464 -0.202 -2.988 1.00 72.42 H new ATOM 0 HA ARG A 48 9.862 1.434 -3.110 1.00 23.23 H new ATOM 0 HB2 ARG A 48 9.547 -0.767 -4.314 1.00 1.14 H new ATOM 0 HB3 ARG A 48 8.305 -0.014 -5.294 1.00 1.14 H new ATOM 0 HG2 ARG A 48 10.023 1.649 -6.101 1.00 51.45 H new ATOM 0 HG3 ARG A 48 11.244 0.765 -5.207 1.00 51.45 H new ATOM 0 HD2 ARG A 48 10.566 -1.317 -6.525 1.00 14.02 H new ATOM 0 HD3 ARG A 48 9.554 -0.282 -7.513 1.00 14.02 H new ATOM 0 HE ARG A 48 12.536 -0.061 -7.310 1.00 62.11 H new ATOM 0 HH11 ARG A 48 9.539 0.468 -9.049 1.00 1.32 H new ATOM 0 HH12 ARG A 48 10.381 0.984 -10.514 1.00 1.32 H new ATOM 0 HH21 ARG A 48 13.540 0.564 -9.152 1.00 52.14 H new ATOM 0 HH22 ARG A 48 12.597 1.036 -10.570 1.00 52.14 H new ATOM 768 N THR A 49 7.169 2.289 -4.867 1.00 53.30 N ATOM 769 CA THR A 49 6.456 3.411 -5.503 1.00 2.10 C ATOM 770 C THR A 49 4.934 3.278 -5.329 1.00 54.42 C ATOM 771 O THR A 49 4.399 2.171 -5.251 1.00 30.22 O ATOM 772 CB THR A 49 6.756 3.505 -7.022 1.00 65.50 C ATOM 773 OG1 THR A 49 6.447 2.261 -7.664 1.00 1.43 O ATOM 774 CG2 THR A 49 8.214 3.867 -7.292 1.00 42.22 C ATOM 0 H THR A 49 6.717 1.384 -4.998 1.00 53.30 H new ATOM 0 HA THR A 49 6.814 4.312 -5.005 1.00 2.10 H new ATOM 0 HB THR A 49 6.129 4.298 -7.429 1.00 65.50 H new ATOM 0 HG1 THR A 49 6.638 2.331 -8.623 1.00 1.43 H new ATOM 0 HG21 THR A 49 8.382 3.923 -8.368 1.00 42.22 H new ATOM 0 HG22 THR A 49 8.439 4.833 -6.839 1.00 42.22 H new ATOM 0 HG23 THR A 49 8.864 3.105 -6.862 1.00 42.22 H new ATOM 782 N VAL A 50 4.245 4.414 -5.266 1.00 23.14 N ATOM 783 CA VAL A 50 2.780 4.439 -5.187 1.00 41.35 C ATOM 784 C VAL A 50 2.195 5.187 -6.397 1.00 21.42 C ATOM 785 O VAL A 50 2.439 6.382 -6.573 1.00 54.31 O ATOM 786 CB VAL A 50 2.297 5.121 -3.880 1.00 22.41 C ATOM 787 CG1 VAL A 50 0.770 5.155 -3.814 1.00 71.12 C ATOM 788 CG2 VAL A 50 2.882 4.419 -2.653 1.00 32.25 C ATOM 0 H VAL A 50 4.678 5.338 -5.268 1.00 23.14 H new ATOM 0 HA VAL A 50 2.431 3.406 -5.189 1.00 41.35 H new ATOM 0 HB VAL A 50 2.655 6.150 -3.883 1.00 22.41 H new ATOM 0 HG11 VAL A 50 0.456 5.638 -2.888 1.00 71.12 H new ATOM 0 HG12 VAL A 50 0.381 5.714 -4.665 1.00 71.12 H new ATOM 0 HG13 VAL A 50 0.382 4.137 -3.841 1.00 71.12 H new ATOM 0 HG21 VAL A 50 2.530 4.914 -1.748 1.00 32.25 H new ATOM 0 HG22 VAL A 50 2.563 3.377 -2.644 1.00 32.25 H new ATOM 0 HG23 VAL A 50 3.970 4.465 -2.692 1.00 32.25 H new ATOM 798 N LYS A 51 1.438 4.481 -7.238 1.00 10.31 N ATOM 799 CA LYS A 51 0.878 5.075 -8.462 1.00 54.42 C ATOM 800 C LYS A 51 -0.623 4.772 -8.596 1.00 32.13 C ATOM 801 O LYS A 51 -1.077 3.681 -8.262 1.00 11.21 O ATOM 802 CB LYS A 51 1.626 4.543 -9.697 1.00 70.20 C ATOM 803 CG LYS A 51 3.133 4.787 -9.662 1.00 74.10 C ATOM 804 CD LYS A 51 3.846 4.251 -10.908 1.00 14.12 C ATOM 805 CE LYS A 51 3.652 2.744 -11.098 1.00 11.31 C ATOM 806 NZ LYS A 51 2.423 2.416 -11.878 1.00 43.11 N ATOM 0 H LYS A 51 1.197 3.500 -7.099 1.00 10.31 H new ATOM 0 HA LYS A 51 1.003 6.156 -8.396 1.00 54.42 H new ATOM 0 HB2 LYS A 51 1.443 3.472 -9.786 1.00 70.20 H new ATOM 0 HB3 LYS A 51 1.213 5.012 -10.590 1.00 70.20 H new ATOM 0 HG2 LYS A 51 3.322 5.857 -9.572 1.00 74.10 H new ATOM 0 HG3 LYS A 51 3.554 4.313 -8.775 1.00 74.10 H new ATOM 0 HD2 LYS A 51 3.473 4.775 -11.788 1.00 14.12 H new ATOM 0 HD3 LYS A 51 4.911 4.470 -10.834 1.00 14.12 H new ATOM 0 HE2 LYS A 51 4.522 2.331 -11.608 1.00 11.31 H new ATOM 0 HE3 LYS A 51 3.597 2.263 -10.122 1.00 11.31 H new ATOM 0 HZ1 LYS A 51 1.829 1.760 -11.331 1.00 43.11 H new ATOM 0 HZ2 LYS A 51 1.890 3.288 -12.069 1.00 43.11 H new ATOM 0 HZ3 LYS A 51 2.692 1.970 -12.778 1.00 43.11 H new ATOM 820 N ASP A 52 -1.390 5.744 -9.084 1.00 53.13 N ATOM 821 CA ASP A 52 -2.823 5.542 -9.336 1.00 53.23 C ATOM 822 C ASP A 52 -3.049 4.824 -10.674 1.00 43.42 C ATOM 823 O ASP A 52 -2.178 4.821 -11.542 1.00 50.12 O ATOM 824 CB ASP A 52 -3.562 6.886 -9.358 1.00 0.44 C ATOM 825 CG ASP A 52 -3.431 7.648 -8.054 1.00 64.32 C ATOM 826 OD1 ASP A 52 -4.026 7.214 -7.049 1.00 3.53 O ATOM 827 OD2 ASP A 52 -2.745 8.692 -8.035 1.00 63.05 O ATOM 0 H ASP A 52 -1.049 6.678 -9.314 1.00 53.13 H new ATOM 0 HA ASP A 52 -3.215 4.924 -8.528 1.00 53.23 H new ATOM 0 HB2 ASP A 52 -3.172 7.497 -10.172 1.00 0.44 H new ATOM 0 HB3 ASP A 52 -4.617 6.712 -9.568 1.00 0.44 H new ATOM 832 N LEU A 53 -4.220 4.212 -10.837 1.00 32.43 N ATOM 833 CA LEU A 53 -4.598 3.618 -12.128 1.00 20.51 C ATOM 834 C LEU A 53 -5.168 4.690 -13.071 1.00 41.35 C ATOM 835 O LEU A 53 -5.397 4.443 -14.255 1.00 13.53 O ATOM 836 CB LEU A 53 -5.618 2.483 -11.928 1.00 30.14 C ATOM 837 CG LEU A 53 -5.109 1.289 -11.101 1.00 62.24 C ATOM 838 CD1 LEU A 53 -6.187 0.213 -10.976 1.00 25.40 C ATOM 839 CD2 LEU A 53 -3.836 0.705 -11.716 1.00 61.31 C ATOM 0 H LEU A 53 -4.921 4.112 -10.103 1.00 32.43 H new ATOM 0 HA LEU A 53 -3.701 3.198 -12.584 1.00 20.51 H new ATOM 0 HB2 LEU A 53 -6.503 2.892 -11.441 1.00 30.14 H new ATOM 0 HB3 LEU A 53 -5.932 2.120 -12.907 1.00 30.14 H new ATOM 0 HG LEU A 53 -4.871 1.651 -10.101 1.00 62.24 H new ATOM 0 HD11 LEU A 53 -5.803 -0.620 -10.387 1.00 25.40 H new ATOM 0 HD12 LEU A 53 -7.064 0.632 -10.483 1.00 25.40 H new ATOM 0 HD13 LEU A 53 -6.464 -0.142 -11.969 1.00 25.40 H new ATOM 0 HD21 LEU A 53 -3.495 -0.138 -11.115 1.00 61.31 H new ATOM 0 HD22 LEU A 53 -4.045 0.366 -12.731 1.00 61.31 H new ATOM 0 HD23 LEU A 53 -3.060 1.470 -11.742 1.00 61.31 H new ATOM 851 N LEU A 54 -5.387 5.885 -12.525 1.00 14.44 N ATOM 852 CA LEU A 54 -5.878 7.031 -13.294 1.00 40.24 C ATOM 853 C LEU A 54 -4.774 8.092 -13.421 1.00 33.23 C ATOM 854 O LEU A 54 -4.584 8.920 -12.522 1.00 43.32 O ATOM 855 CB LEU A 54 -7.113 7.632 -12.607 1.00 53.32 C ATOM 856 CG LEU A 54 -8.261 6.644 -12.330 1.00 12.01 C ATOM 857 CD1 LEU A 54 -9.401 7.335 -11.589 1.00 53.11 C ATOM 858 CD2 LEU A 54 -8.764 6.018 -13.631 1.00 3.20 C ATOM 0 H LEU A 54 -5.230 6.088 -11.538 1.00 14.44 H new ATOM 0 HA LEU A 54 -6.158 6.695 -14.292 1.00 40.24 H new ATOM 0 HB2 LEU A 54 -6.802 8.075 -11.661 1.00 53.32 H new ATOM 0 HB3 LEU A 54 -7.495 8.442 -13.228 1.00 53.32 H new ATOM 0 HG LEU A 54 -7.876 5.846 -11.695 1.00 12.01 H new ATOM 0 HD11 LEU A 54 -10.201 6.619 -11.404 1.00 53.11 H new ATOM 0 HD12 LEU A 54 -9.035 7.724 -10.639 1.00 53.11 H new ATOM 0 HD13 LEU A 54 -9.783 8.157 -12.194 1.00 53.11 H new ATOM 0 HD21 LEU A 54 -9.575 5.324 -13.411 1.00 3.20 H new ATOM 0 HD22 LEU A 54 -9.128 6.802 -14.295 1.00 3.20 H new ATOM 0 HD23 LEU A 54 -7.948 5.482 -14.116 1.00 3.20 H new ATOM 870 N GLU A 55 -4.024 8.038 -14.517 1.00 72.43 N ATOM 871 CA GLU A 55 -2.893 8.952 -14.734 1.00 14.15 C ATOM 872 C GLU A 55 -3.140 9.898 -15.928 1.00 44.53 C ATOM 873 O GLU A 55 -3.570 11.053 -15.703 1.00 38.48 O ATOM 874 CB GLU A 55 -1.604 8.144 -14.954 1.00 25.53 C ATOM 875 CG GLU A 55 -1.248 7.227 -13.789 1.00 13.34 C ATOM 876 CD GLU A 55 0.052 6.472 -14.013 1.00 4.30 C ATOM 877 OE1 GLU A 55 1.132 7.061 -13.790 1.00 12.40 O ATOM 878 OE2 GLU A 55 0.007 5.288 -14.419 1.00 45.11 O ATOM 0 H GLU A 55 -4.174 7.371 -15.274 1.00 72.43 H new ATOM 0 HA GLU A 55 -2.788 9.571 -13.843 1.00 14.15 H new ATOM 0 HB2 GLU A 55 -1.712 7.544 -15.857 1.00 25.53 H new ATOM 0 HB3 GLU A 55 -0.778 8.834 -15.127 1.00 25.53 H new ATOM 0 HG2 GLU A 55 -1.167 7.819 -12.877 1.00 13.34 H new ATOM 0 HG3 GLU A 55 -2.056 6.512 -13.634 1.00 13.34 H new TER 885 GLU A 55