USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0152) USER MOD Set 1.2: B 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.154 K(o=0.081,f=-1.4) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= -0.0735 USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.86 K(o=-2.9,f=-7.9!) USER MOD Set 3.2: A 24 GLN : amide:sc= -2.09 K(o=-2.9,f=-1.1!) USER MOD Single : A 1 GLY N :NH3+ -174:sc= -0.0395 (180deg=-0.0761) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.958 (180deg=-3.86!) USER MOD Single : A 7 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-0.84) USER MOD Single : A 9 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.73) USER MOD Single : A 11 THR OG1 : rot -34:sc= 0.914 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.0395 K(o=0.04,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -140:sc= 0.00405 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 148:sc= -2.87! (180deg=-5.91!) USER MOD Single : A 42 ASN : amide:sc= -0.0176 X(o=-0.018,f=0.14) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= -0.988 (180deg=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -119:sc= -1.04 (180deg=-2.55!) USER MOD Single : A 55 TYR OH : rot 78:sc= 1.44 USER MOD Single : A 57 SER OG : rot 180:sc=-0.000291 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= 1.19 K(o=1.2,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0221) USER MOD Single : A 76 GLN : amide:sc= -0.0875 K(o=-0.088,f=-0.65) USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= -0.0589 (180deg=-0.822) USER MOD Single : A 85 SER OG : rot -22:sc= 0.318 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 93 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.134) USER MOD Single : B 102 SER OG : rot 158:sc= 0.942 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.877 -32.472 -7.477 1.00 0.00 N ATOM 2 CA GLY A 1 -18.288 -31.676 -6.365 1.00 0.00 C ATOM 3 C GLY A 1 -19.149 -30.492 -5.973 1.00 0.00 C ATOM 4 O GLY A 1 -18.964 -29.912 -4.902 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.302 -33.324 -7.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.847 -32.751 -7.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.894 -31.898 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.147 -32.321 -5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.301 -31.320 -6.661 1.00 0.00 H new ATOM 10 N VAL A 2 -20.094 -30.131 -6.835 1.00 0.00 N ATOM 11 CA VAL A 2 -20.985 -29.008 -6.564 1.00 0.00 C ATOM 12 C VAL A 2 -20.210 -27.696 -6.516 1.00 0.00 C ATOM 13 O VAL A 2 -18.979 -27.691 -6.522 1.00 0.00 O ATOM 14 CB VAL A 2 -21.745 -29.190 -5.233 1.00 0.00 C ATOM 15 CG1 VAL A 2 -23.085 -28.474 -5.280 1.00 0.00 C ATOM 16 CG2 VAL A 2 -21.936 -30.666 -4.910 1.00 0.00 C ATOM 0 H VAL A 2 -20.263 -30.599 -7.726 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.707 -28.977 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 2 -21.145 -28.747 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -23.606 -28.614 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -22.923 -27.410 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -23.688 -28.884 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -22.474 -30.765 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.508 -31.142 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.962 -31.149 -4.825 1.00 0.00 H new ATOM 26 N ARG A 3 -20.937 -26.584 -6.468 1.00 0.00 N ATOM 27 CA ARG A 3 -20.315 -25.266 -6.418 1.00 0.00 C ATOM 28 C ARG A 3 -19.464 -25.019 -7.658 1.00 0.00 C ATOM 29 O ARG A 3 -19.112 -25.953 -8.379 1.00 0.00 O ATOM 30 CB ARG A 3 -19.448 -25.131 -5.163 1.00 0.00 C ATOM 31 CG ARG A 3 -20.092 -25.708 -3.912 1.00 0.00 C ATOM 32 CD ARG A 3 -19.226 -25.478 -2.685 1.00 0.00 C ATOM 33 NE ARG A 3 -20.026 -25.153 -1.505 1.00 0.00 N ATOM 34 CZ ARG A 3 -20.540 -23.949 -1.267 1.00 0.00 C ATOM 35 NH1 ARG A 3 -20.343 -22.954 -2.124 1.00 0.00 N ATOM 36 NH2 ARG A 3 -21.256 -23.739 -0.170 1.00 0.00 N ATOM 0 H ARG A 3 -21.957 -26.570 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 3 -21.110 -24.521 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.495 -25.632 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.229 -24.077 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.069 -25.250 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.258 -26.777 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.633 -26.371 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.525 -24.667 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.200 -25.893 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.795 -23.111 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.740 -22.033 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.412 -24.500 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.650 -22.816 0.013 1.00 0.00 H new ATOM 50 N LYS A 4 -19.127 -23.755 -7.895 1.00 0.00 N ATOM 51 CA LYS A 4 -18.307 -23.379 -9.040 1.00 0.00 C ATOM 52 C LYS A 4 -17.047 -24.227 -9.108 1.00 0.00 C ATOM 53 O LYS A 4 -16.598 -24.757 -8.092 1.00 0.00 O ATOM 54 CB LYS A 4 -17.870 -21.916 -8.919 1.00 0.00 C ATOM 55 CG LYS A 4 -18.960 -20.955 -8.452 1.00 0.00 C ATOM 56 CD LYS A 4 -18.385 -19.822 -7.608 1.00 0.00 C ATOM 57 CE LYS A 4 -18.689 -19.999 -6.127 1.00 0.00 C ATOM 58 NZ LYS A 4 -18.653 -21.430 -5.712 1.00 0.00 N ATOM 0 H LYS A 4 -19.411 -22.972 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.909 -23.531 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.033 -21.859 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.502 -21.581 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.475 -20.539 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.703 -21.501 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.306 -19.775 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.795 -18.872 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.966 -19.434 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.672 -19.583 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.392 -21.494 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.591 -21.856 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.951 -21.940 -6.285 1.00 0.00 H new ATOM 72 N GLY A 5 -16.430 -24.289 -10.288 1.00 0.00 N ATOM 73 CA GLY A 5 -15.171 -25.000 -10.410 1.00 0.00 C ATOM 74 C GLY A 5 -14.111 -24.144 -9.758 1.00 0.00 C ATOM 75 O GLY A 5 -13.240 -23.580 -10.420 1.00 0.00 O ATOM 0 H GLY A 5 -16.775 -23.865 -11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.231 -25.974 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.930 -25.179 -11.458 1.00 0.00 H new ATOM 79 N TRP A 6 -14.276 -23.973 -8.455 1.00 0.00 N ATOM 80 CA TRP A 6 -13.435 -23.103 -7.658 1.00 0.00 C ATOM 81 C TRP A 6 -12.160 -23.750 -7.149 1.00 0.00 C ATOM 82 O TRP A 6 -11.058 -23.339 -7.494 1.00 0.00 O ATOM 83 CB TRP A 6 -14.267 -22.685 -6.450 1.00 0.00 C ATOM 84 CG TRP A 6 -14.344 -21.224 -6.245 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.465 -20.459 -6.252 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.253 -20.353 -5.991 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.137 -19.152 -6.013 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.778 -19.064 -5.850 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.881 -20.545 -5.869 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -12.976 -17.967 -5.592 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.079 -19.461 -5.611 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.626 -18.177 -5.472 1.00 0.00 C ATOM 0 H TRP A 6 -15.007 -24.441 -7.919 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.121 -22.275 -8.293 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.277 -23.078 -6.565 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.846 -23.145 -5.556 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.466 -20.827 -6.421 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.794 -18.373 -5.964 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.453 -21.531 -5.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.399 -16.979 -5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.012 -19.599 -5.514 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -10.974 -17.341 -5.267 1.00 0.00 H new ATOM 103 N HIS A 7 -12.339 -24.734 -6.290 1.00 0.00 N ATOM 104 CA HIS A 7 -11.221 -25.429 -5.651 1.00 0.00 C ATOM 105 C HIS A 7 -10.315 -26.159 -6.638 1.00 0.00 C ATOM 106 O HIS A 7 -9.233 -26.619 -6.272 1.00 0.00 O ATOM 107 CB HIS A 7 -11.763 -26.433 -4.644 1.00 0.00 C ATOM 108 CG HIS A 7 -10.747 -26.895 -3.644 1.00 0.00 C ATOM 109 ND1 HIS A 7 -11.045 -27.762 -2.614 1.00 0.00 N ATOM 110 CD2 HIS A 7 -9.430 -26.606 -3.521 1.00 0.00 C ATOM 111 CE1 HIS A 7 -9.955 -27.986 -1.901 1.00 0.00 C ATOM 112 NE2 HIS A 7 -8.962 -27.295 -2.431 1.00 0.00 N ATOM 0 H HIS A 7 -13.257 -25.079 -6.011 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.615 -24.665 -5.165 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.603 -25.984 -4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.151 -27.299 -5.181 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -11.963 -28.167 -2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.855 -25.954 -4.162 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.888 -28.625 -1.033 1.00 0.00 H new ATOM 121 N GLU A 8 -10.774 -26.305 -7.866 1.00 0.00 N ATOM 122 CA GLU A 8 -10.019 -27.031 -8.887 1.00 0.00 C ATOM 123 C GLU A 8 -8.529 -26.677 -8.914 1.00 0.00 C ATOM 124 O GLU A 8 -7.687 -27.577 -8.888 1.00 0.00 O ATOM 125 CB GLU A 8 -10.611 -26.780 -10.276 1.00 0.00 C ATOM 126 CG GLU A 8 -11.185 -25.386 -10.468 1.00 0.00 C ATOM 127 CD GLU A 8 -10.539 -24.643 -11.623 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.337 -24.319 -11.521 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.235 -24.386 -12.626 1.00 0.00 O ATOM 0 H GLU A 8 -11.667 -25.932 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.102 -28.084 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.836 -26.948 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.397 -27.513 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.258 -25.460 -10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.051 -24.812 -9.551 1.00 0.00 H new ATOM 136 N HIS A 9 -8.187 -25.392 -9.000 1.00 0.00 N ATOM 137 CA HIS A 9 -6.774 -25.014 -9.067 1.00 0.00 C ATOM 138 C HIS A 9 -6.399 -23.860 -8.137 1.00 0.00 C ATOM 139 O HIS A 9 -5.552 -23.036 -8.483 1.00 0.00 O ATOM 140 CB HIS A 9 -6.399 -24.660 -10.507 1.00 0.00 C ATOM 141 CG HIS A 9 -4.927 -24.482 -10.717 1.00 0.00 C ATOM 142 ND1 HIS A 9 -4.043 -25.538 -10.779 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.184 -23.362 -10.882 1.00 0.00 C ATOM 144 CE1 HIS A 9 -2.820 -25.076 -10.971 1.00 0.00 C ATOM 145 NE2 HIS A 9 -2.878 -23.759 -11.038 1.00 0.00 N ATOM 0 H HIS A 9 -8.846 -24.614 -9.025 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.209 -25.881 -8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.760 -25.445 -11.171 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.912 -23.741 -10.792 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.550 -22.346 -10.890 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.925 -25.674 -11.058 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.082 -23.137 -11.182 1.00 0.00 H new ATOM 154 N VAL A 10 -6.985 -23.819 -6.948 1.00 0.00 N ATOM 155 CA VAL A 10 -6.642 -22.772 -5.983 1.00 0.00 C ATOM 156 C VAL A 10 -5.936 -23.390 -4.786 1.00 0.00 C ATOM 157 O VAL A 10 -4.899 -22.901 -4.340 1.00 0.00 O ATOM 158 CB VAL A 10 -7.860 -21.955 -5.491 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.507 -20.477 -5.418 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.069 -22.171 -6.384 1.00 0.00 C ATOM 0 H VAL A 10 -7.689 -24.484 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.987 -22.076 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.120 -22.306 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.373 -19.913 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.679 -20.335 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.217 -20.123 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.907 -21.583 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.831 -21.858 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.338 -23.227 -6.383 1.00 0.00 H new ATOM 170 N THR A 11 -6.497 -24.485 -4.286 1.00 0.00 N ATOM 171 CA THR A 11 -5.922 -25.202 -3.154 1.00 0.00 C ATOM 172 C THR A 11 -5.547 -24.254 -2.016 1.00 0.00 C ATOM 173 O THR A 11 -5.771 -23.047 -2.094 1.00 0.00 O ATOM 174 CB THR A 11 -4.690 -25.993 -3.606 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.538 -25.168 -3.613 1.00 0.00 O ATOM 176 CG2 THR A 11 -4.833 -26.596 -4.991 1.00 0.00 C ATOM 0 H THR A 11 -7.356 -24.898 -4.650 1.00 0.00 H new ATOM 0 HA THR A 11 -6.679 -25.890 -2.777 1.00 0.00 H new ATOM 0 HB THR A 11 -4.591 -26.805 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.791 -24.254 -3.861 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.924 -27.141 -5.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.682 -27.279 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.995 -25.801 -5.719 1.00 0.00 H new ATOM 184 N GLN A 12 -4.981 -24.817 -0.954 1.00 0.00 N ATOM 185 CA GLN A 12 -4.578 -24.035 0.206 1.00 0.00 C ATOM 186 C GLN A 12 -3.306 -23.235 -0.070 1.00 0.00 C ATOM 187 O GLN A 12 -3.260 -22.027 0.155 1.00 0.00 O ATOM 188 CB GLN A 12 -4.364 -24.954 1.410 1.00 0.00 C ATOM 189 CG GLN A 12 -5.251 -24.612 2.592 1.00 0.00 C ATOM 190 CD GLN A 12 -5.167 -25.641 3.704 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.092 -26.166 3.998 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.302 -25.933 4.327 1.00 0.00 N ATOM 0 H GLN A 12 -4.791 -25.816 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.378 -23.328 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.553 -25.985 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.320 -24.898 1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.967 -23.635 2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.284 -24.531 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.169 -25.473 4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.307 -26.617 5.083 1.00 0.00 H new ATOM 201 N ASP A 13 -2.271 -23.924 -0.541 1.00 0.00 N ATOM 202 CA ASP A 13 -0.990 -23.286 -0.829 1.00 0.00 C ATOM 203 C ASP A 13 -1.145 -22.118 -1.800 1.00 0.00 C ATOM 204 O ASP A 13 -0.744 -20.994 -1.498 1.00 0.00 O ATOM 205 CB ASP A 13 -0.007 -24.309 -1.400 1.00 0.00 C ATOM 206 CG ASP A 13 1.409 -24.088 -0.906 1.00 0.00 C ATOM 207 OD1 ASP A 13 2.103 -23.213 -1.465 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.823 -24.789 0.040 1.00 0.00 O ATOM 0 H ASP A 13 -2.294 -24.926 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.601 -22.892 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.332 -25.313 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.022 -24.255 -2.489 1.00 0.00 H new ATOM 213 N LEU A 14 -1.720 -22.388 -2.967 1.00 0.00 N ATOM 214 CA LEU A 14 -1.913 -21.352 -3.976 1.00 0.00 C ATOM 215 C LEU A 14 -2.782 -20.219 -3.438 1.00 0.00 C ATOM 216 O LEU A 14 -2.640 -19.067 -3.848 1.00 0.00 O ATOM 217 CB LEU A 14 -2.541 -21.946 -5.239 1.00 0.00 C ATOM 218 CG LEU A 14 -1.734 -21.740 -6.522 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.837 -22.962 -7.422 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.207 -20.494 -7.255 1.00 0.00 C ATOM 0 H LEU A 14 -2.059 -23.311 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.935 -20.942 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.685 -23.016 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.530 -21.508 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.687 -21.603 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.256 -22.796 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.448 -23.834 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.881 -23.133 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.622 -20.363 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.260 -20.602 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.078 -19.623 -6.613 1.00 0.00 H new ATOM 232 N ARG A 15 -3.680 -20.550 -2.515 1.00 0.00 N ATOM 233 CA ARG A 15 -4.567 -19.556 -1.922 1.00 0.00 C ATOM 234 C ARG A 15 -3.783 -18.595 -1.034 1.00 0.00 C ATOM 235 O ARG A 15 -3.880 -17.378 -1.182 1.00 0.00 O ATOM 236 CB ARG A 15 -5.668 -20.240 -1.111 1.00 0.00 C ATOM 237 CG ARG A 15 -6.635 -19.267 -0.455 1.00 0.00 C ATOM 238 CD ARG A 15 -7.729 -19.996 0.308 1.00 0.00 C ATOM 239 NE ARG A 15 -8.562 -19.079 1.081 1.00 0.00 N ATOM 240 CZ ARG A 15 -9.557 -19.469 1.873 1.00 0.00 C ATOM 241 NH1 ARG A 15 -9.847 -20.759 2.000 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.266 -18.569 2.541 1.00 0.00 N ATOM 0 H ARG A 15 -3.812 -21.498 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.027 -18.986 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.227 -20.909 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.209 -20.858 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.089 -18.614 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.084 -18.630 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.354 -20.549 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.278 -20.728 0.978 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.369 -18.080 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.306 -21.456 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.611 -21.052 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.048 -17.577 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.029 -18.869 3.148 1.00 0.00 H new ATOM 256 N SER A 16 -3.005 -19.153 -0.110 1.00 0.00 N ATOM 257 CA SER A 16 -2.203 -18.347 0.802 1.00 0.00 C ATOM 258 C SER A 16 -1.208 -17.485 0.031 1.00 0.00 C ATOM 259 O SER A 16 -0.962 -16.333 0.389 1.00 0.00 O ATOM 260 CB SER A 16 -1.458 -19.246 1.790 1.00 0.00 C ATOM 261 OG SER A 16 -2.232 -19.475 2.955 1.00 0.00 O ATOM 0 H SER A 16 -2.914 -20.160 0.026 1.00 0.00 H new ATOM 0 HA SER A 16 -2.875 -17.691 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.222 -20.198 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.510 -18.783 2.065 1.00 0.00 H new ATOM 0 HG SER A 16 -1.734 -20.054 3.570 1.00 0.00 H new ATOM 267 N HIS A 17 -0.640 -18.051 -1.028 1.00 0.00 N ATOM 268 CA HIS A 17 0.328 -17.334 -1.852 1.00 0.00 C ATOM 269 C HIS A 17 -0.293 -16.073 -2.445 1.00 0.00 C ATOM 270 O HIS A 17 0.391 -15.074 -2.661 1.00 0.00 O ATOM 271 CB HIS A 17 0.846 -18.238 -2.971 1.00 0.00 C ATOM 272 CG HIS A 17 2.078 -19.003 -2.601 1.00 0.00 C ATOM 273 ND1 HIS A 17 2.069 -20.065 -1.721 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.365 -18.857 -2.997 1.00 0.00 C ATOM 275 CE1 HIS A 17 3.296 -20.537 -1.591 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.100 -19.822 -2.355 1.00 0.00 N ATOM 0 H HIS A 17 -0.833 -19.004 -1.337 1.00 0.00 H new ATOM 0 HA HIS A 17 1.164 -17.041 -1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.062 -18.942 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.057 -17.629 -3.850 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.244 -20.429 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.743 -18.119 -3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.591 -21.367 -0.966 1.00 0.00 H new ATOM 285 N LEU A 18 -1.596 -16.129 -2.706 1.00 0.00 N ATOM 286 CA LEU A 18 -2.310 -14.992 -3.274 1.00 0.00 C ATOM 287 C LEU A 18 -2.585 -13.938 -2.207 1.00 0.00 C ATOM 288 O LEU A 18 -2.597 -12.740 -2.493 1.00 0.00 O ATOM 289 CB LEU A 18 -3.627 -15.454 -3.903 1.00 0.00 C ATOM 290 CG LEU A 18 -3.487 -16.154 -5.255 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.541 -17.240 -5.407 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.591 -15.145 -6.389 1.00 0.00 C ATOM 0 H LEU A 18 -2.177 -16.949 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.683 -14.547 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.125 -16.132 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.277 -14.588 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.504 -16.623 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.425 -17.727 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.421 -17.978 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.534 -16.795 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.489 -15.660 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.560 -14.648 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.798 -14.404 -6.290 1.00 0.00 H new ATOM 304 N VAL A 19 -2.805 -14.390 -0.977 1.00 0.00 N ATOM 305 CA VAL A 19 -3.078 -13.486 0.133 1.00 0.00 C ATOM 306 C VAL A 19 -1.920 -12.516 0.348 1.00 0.00 C ATOM 307 O VAL A 19 -2.119 -11.382 0.779 1.00 0.00 O ATOM 308 CB VAL A 19 -3.337 -14.262 1.439 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.744 -13.313 2.557 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.399 -15.329 1.223 1.00 0.00 C ATOM 0 H VAL A 19 -2.799 -15.378 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.974 -12.924 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.411 -14.756 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.922 -13.881 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.946 -12.590 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.655 -12.787 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.569 -15.867 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.328 -14.858 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.062 -16.028 0.457 1.00 0.00 H new ATOM 320 N HIS A 20 -0.709 -12.973 0.044 1.00 0.00 N ATOM 321 CA HIS A 20 0.481 -12.147 0.203 1.00 0.00 C ATOM 322 C HIS A 20 0.452 -10.960 -0.756 1.00 0.00 C ATOM 323 O HIS A 20 1.014 -9.904 -0.468 1.00 0.00 O ATOM 324 CB HIS A 20 1.742 -12.980 -0.035 1.00 0.00 C ATOM 325 CG HIS A 20 2.881 -12.613 0.864 1.00 0.00 C ATOM 326 ND1 HIS A 20 3.085 -11.333 1.337 1.00 0.00 N ATOM 327 CD2 HIS A 20 3.880 -13.367 1.381 1.00 0.00 C ATOM 328 CE1 HIS A 20 4.162 -11.317 2.103 1.00 0.00 C ATOM 329 NE2 HIS A 20 4.662 -12.537 2.146 1.00 0.00 N ATOM 0 H HIS A 20 -0.527 -13.911 -0.314 1.00 0.00 H new ATOM 0 HA HIS A 20 0.494 -11.766 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.503 -14.034 0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.056 -12.861 -1.072 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.497 -10.526 1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.033 -14.424 1.221 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.565 -10.452 2.608 1.00 0.00 H new ATOM 338 N LYS A 21 -0.207 -11.142 -1.897 1.00 0.00 N ATOM 339 CA LYS A 21 -0.308 -10.085 -2.897 1.00 0.00 C ATOM 340 C LYS A 21 -0.948 -8.834 -2.304 1.00 0.00 C ATOM 341 O LYS A 21 -0.466 -7.720 -2.512 1.00 0.00 O ATOM 342 CB LYS A 21 -1.123 -10.568 -4.098 1.00 0.00 C ATOM 343 CG LYS A 21 -0.442 -11.671 -4.891 1.00 0.00 C ATOM 344 CD LYS A 21 0.576 -11.106 -5.870 1.00 0.00 C ATOM 345 CE LYS A 21 1.700 -12.094 -6.135 1.00 0.00 C ATOM 346 NZ LYS A 21 2.966 -11.406 -6.514 1.00 0.00 N ATOM 0 H LYS A 21 -0.678 -12.010 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 21 0.700 -9.834 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.091 -10.928 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.316 -9.723 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.053 -12.360 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.192 -12.246 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.081 -10.856 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.990 -10.180 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.868 -12.700 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.404 -12.775 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.708 -12.114 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.813 -10.848 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.263 -10.775 -5.742 1.00 0.00 H new ATOM 360 N LEU A 22 -2.032 -9.025 -1.561 1.00 0.00 N ATOM 361 CA LEU A 22 -2.735 -7.912 -0.934 1.00 0.00 C ATOM 362 C LEU A 22 -1.817 -7.166 0.028 1.00 0.00 C ATOM 363 O LEU A 22 -1.939 -5.954 0.205 1.00 0.00 O ATOM 364 CB LEU A 22 -3.973 -8.416 -0.189 1.00 0.00 C ATOM 365 CG LEU A 22 -5.257 -8.455 -1.020 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.402 -9.801 -1.715 1.00 0.00 C ATOM 367 CD2 LEU A 22 -6.467 -8.175 -0.141 1.00 0.00 C ATOM 0 H LEU A 22 -2.443 -9.940 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.049 -7.224 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.770 -9.419 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.140 -7.779 0.680 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.198 -7.679 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.321 -9.811 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.549 -9.964 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.440 -10.594 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.372 -8.206 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.529 -8.929 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.367 -7.188 0.312 1.00 0.00 H new ATOM 379 N VAL A 23 -0.897 -7.899 0.646 1.00 0.00 N ATOM 380 CA VAL A 23 0.044 -7.311 1.589 1.00 0.00 C ATOM 381 C VAL A 23 1.106 -6.491 0.864 1.00 0.00 C ATOM 382 O VAL A 23 1.623 -5.512 1.403 1.00 0.00 O ATOM 383 CB VAL A 23 0.736 -8.393 2.440 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.585 -7.755 3.529 1.00 0.00 C ATOM 385 CG2 VAL A 23 -0.292 -9.338 3.040 1.00 0.00 C ATOM 0 H VAL A 23 -0.784 -8.903 0.510 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.530 -6.657 2.245 1.00 0.00 H new ATOM 0 HB VAL A 23 1.394 -8.973 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.066 -8.535 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.347 -7.123 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.951 -7.149 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.215 -10.095 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.978 -8.775 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.852 -9.822 2.240 1.00 0.00 H new ATOM 395 N GLN A 24 1.426 -6.895 -0.361 1.00 0.00 N ATOM 396 CA GLN A 24 2.426 -6.197 -1.159 1.00 0.00 C ATOM 397 C GLN A 24 1.898 -4.847 -1.632 1.00 0.00 C ATOM 398 O GLN A 24 2.660 -3.894 -1.797 1.00 0.00 O ATOM 399 CB GLN A 24 2.834 -7.049 -2.363 1.00 0.00 C ATOM 400 CG GLN A 24 4.034 -7.942 -2.096 1.00 0.00 C ATOM 401 CD GLN A 24 3.655 -9.239 -1.406 1.00 0.00 C ATOM 402 OE1 GLN A 24 3.410 -9.265 -0.201 1.00 0.00 O ATOM 403 NE2 GLN A 24 3.606 -10.323 -2.171 1.00 0.00 N ATOM 0 H GLN A 24 1.007 -7.702 -0.822 1.00 0.00 H new ATOM 0 HA GLN A 24 3.301 -6.025 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.989 -7.669 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.060 -6.392 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.531 -8.169 -3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.753 -7.403 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.817 -10.255 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.357 -11.224 -1.763 1.00 0.00 H new ATOM 412 N ALA A 25 0.588 -4.772 -1.850 1.00 0.00 N ATOM 413 CA ALA A 25 -0.042 -3.538 -2.305 1.00 0.00 C ATOM 414 C ALA A 25 0.219 -2.396 -1.327 1.00 0.00 C ATOM 415 O ALA A 25 0.432 -1.254 -1.734 1.00 0.00 O ATOM 416 CB ALA A 25 -1.538 -3.746 -2.488 1.00 0.00 C ATOM 0 H ALA A 25 -0.057 -5.551 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 25 0.397 -3.267 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.996 -2.817 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.709 -4.527 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.983 -4.043 -1.538 1.00 0.00 H new ATOM 422 N ILE A 26 0.203 -2.714 -0.037 1.00 0.00 N ATOM 423 CA ILE A 26 0.439 -1.716 0.999 1.00 0.00 C ATOM 424 C ILE A 26 1.929 -1.575 1.294 1.00 0.00 C ATOM 425 O ILE A 26 2.404 -0.493 1.636 1.00 0.00 O ATOM 426 CB ILE A 26 -0.301 -2.072 2.302 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.767 -2.399 2.008 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.198 -0.928 3.300 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.470 -3.103 3.148 1.00 0.00 C ATOM 0 H ILE A 26 0.029 -3.655 0.316 1.00 0.00 H new ATOM 0 HA ILE A 26 0.054 -0.769 0.621 1.00 0.00 H new ATOM 0 HB ILE A 26 0.168 -2.953 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.298 -1.475 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.820 -3.025 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.726 -1.195 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.851 -0.738 3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.645 -0.031 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.505 -3.303 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.963 -4.044 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.449 -2.470 4.035 1.00 0.00 H new ATOM 441 N PHE A 27 2.660 -2.677 1.155 1.00 0.00 N ATOM 442 CA PHE A 27 4.097 -2.677 1.404 1.00 0.00 C ATOM 443 C PHE A 27 4.822 -3.558 0.390 1.00 0.00 C ATOM 444 O PHE A 27 5.191 -4.693 0.693 1.00 0.00 O ATOM 445 CB PHE A 27 4.391 -3.162 2.825 1.00 0.00 C ATOM 446 CG PHE A 27 5.832 -3.011 3.229 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.558 -1.888 2.862 1.00 0.00 C ATOM 448 CD2 PHE A 27 6.460 -3.994 3.978 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.882 -1.750 3.233 1.00 0.00 C ATOM 450 CE2 PHE A 27 7.783 -3.860 4.353 1.00 0.00 C ATOM 451 CZ PHE A 27 8.495 -2.737 3.980 1.00 0.00 C ATOM 0 H PHE A 27 2.281 -3.580 0.871 1.00 0.00 H new ATOM 0 HA PHE A 27 4.461 -1.655 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.766 -2.607 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.108 -4.211 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.083 -1.112 2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.909 -4.875 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.437 -0.871 2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.260 -4.633 4.937 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.529 -2.631 4.272 1.00 0.00 H new ATOM 461 N PRO A 28 5.034 -3.045 -0.834 1.00 0.00 N ATOM 462 CA PRO A 28 5.717 -3.789 -1.897 1.00 0.00 C ATOM 463 C PRO A 28 7.046 -4.377 -1.437 1.00 0.00 C ATOM 464 O PRO A 28 7.231 -5.594 -1.433 1.00 0.00 O ATOM 465 CB PRO A 28 5.944 -2.733 -2.979 1.00 0.00 C ATOM 466 CG PRO A 28 4.864 -1.731 -2.761 1.00 0.00 C ATOM 467 CD PRO A 28 4.623 -1.699 -1.278 1.00 0.00 C ATOM 0 HA PRO A 28 5.132 -4.645 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.930 -2.278 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.885 -3.169 -3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.162 -0.749 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.958 -2.011 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.210 -0.919 -0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.577 -1.502 -1.045 1.00 0.00 H new ATOM 475 N THR A 29 7.973 -3.504 -1.053 1.00 0.00 N ATOM 476 CA THR A 29 9.287 -3.939 -0.593 1.00 0.00 C ATOM 477 C THR A 29 9.186 -4.647 0.757 1.00 0.00 C ATOM 478 O THR A 29 8.480 -4.188 1.653 1.00 0.00 O ATOM 479 CB THR A 29 10.233 -2.741 -0.484 1.00 0.00 C ATOM 480 OG1 THR A 29 9.517 -1.564 -0.157 1.00 0.00 O ATOM 481 CG2 THR A 29 11.004 -2.470 -1.759 1.00 0.00 C ATOM 0 H THR A 29 7.838 -2.493 -1.051 1.00 0.00 H new ATOM 0 HA THR A 29 9.685 -4.644 -1.323 1.00 0.00 H new ATOM 0 HB THR A 29 10.941 -3.003 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.879 -0.809 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.656 -1.608 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.607 -3.342 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.305 -2.264 -2.570 1.00 0.00 H new ATOM 489 N PRO A 30 9.896 -5.778 0.921 1.00 0.00 N ATOM 490 CA PRO A 30 9.879 -6.544 2.170 1.00 0.00 C ATOM 491 C PRO A 30 10.730 -5.896 3.257 1.00 0.00 C ATOM 492 O PRO A 30 11.403 -4.893 3.018 1.00 0.00 O ATOM 493 CB PRO A 30 10.472 -7.890 1.759 1.00 0.00 C ATOM 494 CG PRO A 30 11.391 -7.565 0.633 1.00 0.00 C ATOM 495 CD PRO A 30 10.768 -6.402 -0.095 1.00 0.00 C ATOM 0 HA PRO A 30 8.878 -6.613 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.007 -8.357 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.695 -8.588 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.383 -7.307 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.511 -8.421 -0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.524 -5.705 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.198 -6.732 -0.963 1.00 0.00 H new ATOM 503 N ASP A 31 10.697 -6.476 4.453 1.00 0.00 N ATOM 504 CA ASP A 31 11.467 -5.955 5.576 1.00 0.00 C ATOM 505 C ASP A 31 11.304 -6.845 6.807 1.00 0.00 C ATOM 506 O ASP A 31 10.184 -7.185 7.190 1.00 0.00 O ATOM 507 CB ASP A 31 11.026 -4.527 5.904 1.00 0.00 C ATOM 508 CG ASP A 31 12.104 -3.740 6.623 1.00 0.00 C ATOM 509 OD1 ASP A 31 13.129 -3.418 5.986 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.924 -3.448 7.825 1.00 0.00 O ATOM 0 H ASP A 31 10.145 -7.306 4.669 1.00 0.00 H new ATOM 0 HA ASP A 31 12.519 -5.947 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.758 -4.012 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.130 -4.560 6.523 1.00 0.00 H new ATOM 515 N PRO A 32 12.421 -7.238 7.448 1.00 0.00 N ATOM 516 CA PRO A 32 12.386 -8.091 8.640 1.00 0.00 C ATOM 517 C PRO A 32 11.834 -7.360 9.858 1.00 0.00 C ATOM 518 O PRO A 32 11.276 -7.978 10.765 1.00 0.00 O ATOM 519 CB PRO A 32 13.855 -8.460 8.857 1.00 0.00 C ATOM 520 CG PRO A 32 14.620 -7.344 8.237 1.00 0.00 C ATOM 521 CD PRO A 32 13.801 -6.882 7.064 1.00 0.00 C ATOM 0 HA PRO A 32 11.733 -8.953 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.086 -8.558 9.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.097 -9.414 8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.774 -6.533 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.607 -7.678 7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.908 -5.810 6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.103 -7.380 6.142 1.00 0.00 H new ATOM 529 N ALA A 33 11.994 -6.040 9.874 1.00 0.00 N ATOM 530 CA ALA A 33 11.513 -5.225 10.981 1.00 0.00 C ATOM 531 C ALA A 33 10.013 -4.972 10.864 1.00 0.00 C ATOM 532 O ALA A 33 9.321 -4.806 11.868 1.00 0.00 O ATOM 533 CB ALA A 33 12.269 -3.907 11.034 1.00 0.00 C ATOM 0 H ALA A 33 12.454 -5.513 9.131 1.00 0.00 H new ATOM 0 HA ALA A 33 11.693 -5.771 11.907 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.899 -3.308 11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.332 -4.103 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.119 -3.364 10.101 1.00 0.00 H new ATOM 539 N ALA A 34 9.517 -4.943 9.631 1.00 0.00 N ATOM 540 CA ALA A 34 8.100 -4.710 9.384 1.00 0.00 C ATOM 541 C ALA A 34 7.243 -5.772 10.061 1.00 0.00 C ATOM 542 O ALA A 34 6.267 -5.455 10.741 1.00 0.00 O ATOM 543 CB ALA A 34 7.822 -4.677 7.888 1.00 0.00 C ATOM 0 H ALA A 34 10.076 -5.078 8.788 1.00 0.00 H new ATOM 0 HA ALA A 34 7.837 -3.742 9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.759 -4.502 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.399 -3.875 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.108 -5.630 7.444 1.00 0.00 H new ATOM 549 N LEU A 35 7.615 -7.035 9.876 1.00 0.00 N ATOM 550 CA LEU A 35 6.879 -8.142 10.476 1.00 0.00 C ATOM 551 C LEU A 35 6.798 -7.979 11.990 1.00 0.00 C ATOM 552 O LEU A 35 5.855 -8.449 12.626 1.00 0.00 O ATOM 553 CB LEU A 35 7.547 -9.475 10.127 1.00 0.00 C ATOM 554 CG LEU A 35 7.976 -9.626 8.666 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.437 -11.049 8.391 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.837 -9.244 7.732 1.00 0.00 C ATOM 0 H LEU A 35 8.420 -7.317 9.317 1.00 0.00 H new ATOM 0 HA LEU A 35 5.866 -8.137 10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.424 -9.600 10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.858 -10.283 10.372 1.00 0.00 H new ATOM 0 HG LEU A 35 8.812 -8.951 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.738 -11.139 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.283 -11.288 9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.620 -11.742 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.161 -9.358 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.981 -9.893 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.552 -8.207 7.911 1.00 0.00 H new ATOM 568 N LYS A 36 7.791 -7.302 12.559 1.00 0.00 N ATOM 569 CA LYS A 36 7.833 -7.068 13.996 1.00 0.00 C ATOM 570 C LYS A 36 7.193 -5.728 14.348 1.00 0.00 C ATOM 571 O LYS A 36 6.761 -5.515 15.481 1.00 0.00 O ATOM 572 CB LYS A 36 9.277 -7.103 14.497 1.00 0.00 C ATOM 573 CG LYS A 36 9.423 -7.689 15.893 1.00 0.00 C ATOM 574 CD LYS A 36 10.710 -8.486 16.031 1.00 0.00 C ATOM 575 CE LYS A 36 11.806 -7.664 16.691 1.00 0.00 C ATOM 576 NZ LYS A 36 12.853 -8.527 17.305 1.00 0.00 N ATOM 0 H LYS A 36 8.578 -6.906 12.045 1.00 0.00 H new ATOM 0 HA LYS A 36 7.267 -7.861 14.485 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.880 -7.687 13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.679 -6.090 14.493 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.411 -6.885 16.629 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.570 -8.333 16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.522 -9.384 16.620 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.043 -8.815 15.047 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.264 -7.008 15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.368 -7.023 17.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.582 -7.929 17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.421 -9.135 18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.289 -9.120 16.570 1.00 0.00 H new ATOM 590 N ASP A 37 7.134 -4.824 13.372 1.00 0.00 N ATOM 591 CA ASP A 37 6.546 -3.506 13.585 1.00 0.00 C ATOM 592 C ASP A 37 5.104 -3.624 14.067 1.00 0.00 C ATOM 593 O ASP A 37 4.413 -4.596 13.760 1.00 0.00 O ATOM 594 CB ASP A 37 6.601 -2.685 12.295 1.00 0.00 C ATOM 595 CG ASP A 37 7.850 -1.832 12.206 1.00 0.00 C ATOM 596 OD1 ASP A 37 8.881 -2.339 11.714 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.800 -0.658 12.628 1.00 0.00 O ATOM 0 H ASP A 37 7.486 -4.981 12.428 1.00 0.00 H new ATOM 0 HA ASP A 37 7.126 -2.998 14.355 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.562 -3.357 11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.721 -2.044 12.238 1.00 0.00 H new ATOM 602 N ARG A 38 4.656 -2.629 14.825 1.00 0.00 N ATOM 603 CA ARG A 38 3.296 -2.622 15.352 1.00 0.00 C ATOM 604 C ARG A 38 2.283 -2.326 14.251 1.00 0.00 C ATOM 605 O ARG A 38 1.139 -2.777 14.309 1.00 0.00 O ATOM 606 CB ARG A 38 3.167 -1.587 16.471 1.00 0.00 C ATOM 607 CG ARG A 38 3.601 -2.106 17.832 1.00 0.00 C ATOM 608 CD ARG A 38 2.822 -3.349 18.229 1.00 0.00 C ATOM 609 NE ARG A 38 3.520 -4.576 17.854 1.00 0.00 N ATOM 610 CZ ARG A 38 3.153 -5.790 18.258 1.00 0.00 C ATOM 611 NH1 ARG A 38 2.098 -5.944 19.048 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.844 -6.854 17.869 1.00 0.00 N ATOM 0 H ARG A 38 5.215 -1.817 15.088 1.00 0.00 H new ATOM 0 HA ARG A 38 3.086 -3.613 15.754 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.766 -0.713 16.217 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.130 -1.256 16.531 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.667 -2.334 17.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.455 -1.329 18.582 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.654 -3.343 19.306 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.842 -3.330 17.753 1.00 0.00 H new ATOM 0 HE ARG A 38 4.336 -4.498 17.247 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.563 -5.129 19.349 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.822 -6.877 19.354 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.655 -6.741 17.261 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.564 -7.785 18.178 1.00 0.00 H new ATOM 626 N ARG A 39 2.707 -1.562 13.249 1.00 0.00 N ATOM 627 CA ARG A 39 1.831 -1.206 12.138 1.00 0.00 C ATOM 628 C ARG A 39 1.383 -2.450 11.376 1.00 0.00 C ATOM 629 O ARG A 39 0.259 -2.512 10.878 1.00 0.00 O ATOM 630 CB ARG A 39 2.540 -0.230 11.193 1.00 0.00 C ATOM 631 CG ARG A 39 3.602 -0.877 10.318 1.00 0.00 C ATOM 632 CD ARG A 39 3.047 -1.242 8.950 1.00 0.00 C ATOM 633 NE ARG A 39 3.935 -2.141 8.219 1.00 0.00 N ATOM 634 CZ ARG A 39 3.748 -2.497 6.949 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.708 -2.031 6.269 1.00 0.00 N ATOM 636 NH2 ARG A 39 4.604 -3.318 6.357 1.00 0.00 N ATOM 0 H ARG A 39 3.650 -1.178 13.183 1.00 0.00 H new ATOM 0 HA ARG A 39 0.945 -0.720 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.796 0.245 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.003 0.560 11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.444 -0.195 10.201 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.983 -1.773 10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.072 -1.714 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.892 -0.334 8.368 1.00 0.00 H new ATOM 0 HE ARG A 39 4.746 -2.519 8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.047 -1.397 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.569 -2.307 5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.406 -3.678 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.460 -3.590 5.385 1.00 0.00 H new ATOM 650 N MET A 40 2.269 -3.438 11.290 1.00 0.00 N ATOM 651 CA MET A 40 1.961 -4.679 10.588 1.00 0.00 C ATOM 652 C MET A 40 0.759 -5.376 11.216 1.00 0.00 C ATOM 653 O MET A 40 0.013 -6.080 10.536 1.00 0.00 O ATOM 654 CB MET A 40 3.173 -5.613 10.607 1.00 0.00 C ATOM 655 CG MET A 40 3.272 -6.508 9.381 1.00 0.00 C ATOM 656 SD MET A 40 4.289 -5.791 8.077 1.00 0.00 S ATOM 657 CE MET A 40 3.409 -6.342 6.618 1.00 0.00 C ATOM 0 H MET A 40 3.204 -3.403 11.697 1.00 0.00 H new ATOM 0 HA MET A 40 1.716 -4.432 9.555 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.081 -5.015 10.684 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.126 -6.237 11.499 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.689 -7.472 9.673 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.271 -6.698 8.993 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.511 -5.597 5.829 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.826 -7.290 6.278 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.354 -6.475 6.858 1.00 0.00 H new ATOM 667 N GLU A 41 0.575 -5.174 12.518 1.00 0.00 N ATOM 668 CA GLU A 41 -0.539 -5.783 13.235 1.00 0.00 C ATOM 669 C GLU A 41 -1.870 -5.398 12.596 1.00 0.00 C ATOM 670 O GLU A 41 -2.812 -6.190 12.574 1.00 0.00 O ATOM 671 CB GLU A 41 -0.524 -5.352 14.703 1.00 0.00 C ATOM 672 CG GLU A 41 -1.406 -6.209 15.598 1.00 0.00 C ATOM 673 CD GLU A 41 -1.084 -7.687 15.491 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.099 -8.050 15.665 1.00 0.00 O ATOM 675 OE2 GLU A 41 -2.013 -8.480 15.234 1.00 0.00 O ATOM 0 H GLU A 41 1.183 -4.594 13.096 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.427 -6.866 13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.500 -5.389 15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.850 -4.314 14.772 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.287 -5.889 16.633 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.451 -6.048 15.333 1.00 0.00 H new ATOM 682 N ASN A 42 -1.937 -4.180 12.071 1.00 0.00 N ATOM 683 CA ASN A 42 -3.148 -3.690 11.426 1.00 0.00 C ATOM 684 C ASN A 42 -3.259 -4.230 10.004 1.00 0.00 C ATOM 685 O ASN A 42 -4.360 -4.443 9.494 1.00 0.00 O ATOM 686 CB ASN A 42 -3.159 -2.160 11.406 1.00 0.00 C ATOM 687 CG ASN A 42 -4.549 -1.589 11.604 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.497 -1.982 10.924 1.00 0.00 O ATOM 689 ND2 ASN A 42 -4.677 -0.655 12.539 1.00 0.00 N ATOM 0 H ASN A 42 -1.165 -3.513 12.080 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.005 -4.043 12.000 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.500 -1.784 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.757 -1.809 10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.588 -0.233 12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.864 -0.359 13.079 1.00 0.00 H new ATOM 696 N LEU A 43 -2.113 -4.451 9.369 1.00 0.00 N ATOM 697 CA LEU A 43 -2.081 -4.967 8.006 1.00 0.00 C ATOM 698 C LEU A 43 -2.682 -6.368 7.942 1.00 0.00 C ATOM 699 O LEU A 43 -3.444 -6.687 7.029 1.00 0.00 O ATOM 700 CB LEU A 43 -0.643 -4.989 7.480 1.00 0.00 C ATOM 701 CG LEU A 43 -0.450 -4.360 6.099 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.018 -4.375 5.707 1.00 0.00 C ATOM 703 CD2 LEU A 43 -1.289 -5.090 5.061 1.00 0.00 C ATOM 0 H LEU A 43 -1.194 -4.281 9.777 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.679 -4.306 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.003 -4.468 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.302 -6.023 7.442 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.782 -3.323 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.136 -3.924 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.595 -3.808 6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.377 -5.404 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.140 -4.630 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.987 -6.136 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.342 -5.027 5.335 1.00 0.00 H new ATOM 715 N VAL A 44 -2.335 -7.200 8.919 1.00 0.00 N ATOM 716 CA VAL A 44 -2.840 -8.565 8.977 1.00 0.00 C ATOM 717 C VAL A 44 -4.362 -8.585 9.054 1.00 0.00 C ATOM 718 O VAL A 44 -5.031 -9.151 8.190 1.00 0.00 O ATOM 719 CB VAL A 44 -2.266 -9.326 10.186 1.00 0.00 C ATOM 720 CG1 VAL A 44 -2.649 -10.797 10.124 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.754 -9.164 10.250 1.00 0.00 C ATOM 0 H VAL A 44 -1.705 -6.951 9.682 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.519 -9.060 8.060 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.693 -8.902 11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.234 -11.318 10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.735 -10.891 10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.253 -11.238 9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.366 -9.709 11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.307 -9.560 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.505 -8.107 10.347 1.00 0.00 H new ATOM 731 N ALA A 45 -4.904 -7.960 10.096 1.00 0.00 N ATOM 732 CA ALA A 45 -6.348 -7.905 10.287 1.00 0.00 C ATOM 733 C ALA A 45 -7.033 -7.240 9.098 1.00 0.00 C ATOM 734 O ALA A 45 -8.123 -7.645 8.690 1.00 0.00 O ATOM 735 CB ALA A 45 -6.681 -7.163 11.573 1.00 0.00 C ATOM 0 H ALA A 45 -4.364 -7.485 10.820 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.720 -8.927 10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.763 -7.129 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.229 -7.681 12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.290 -6.147 11.519 1.00 0.00 H new ATOM 741 N TYR A 46 -6.387 -6.219 8.545 1.00 0.00 N ATOM 742 CA TYR A 46 -6.933 -5.499 7.400 1.00 0.00 C ATOM 743 C TYR A 46 -6.961 -6.389 6.163 1.00 0.00 C ATOM 744 O TYR A 46 -7.994 -6.525 5.506 1.00 0.00 O ATOM 745 CB TYR A 46 -6.107 -4.242 7.122 1.00 0.00 C ATOM 746 CG TYR A 46 -6.620 -3.423 5.958 1.00 0.00 C ATOM 747 CD1 TYR A 46 -6.319 -3.775 4.649 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.404 -2.296 6.172 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.785 -3.028 3.584 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.875 -1.544 5.111 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.562 -1.914 3.820 1.00 0.00 C ATOM 752 OH TYR A 46 -8.028 -1.168 2.763 1.00 0.00 O ATOM 0 H TYR A 46 -5.485 -5.871 8.871 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.956 -5.207 7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.097 -3.619 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.075 -4.532 6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.711 -4.647 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.649 -2.003 7.182 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.542 -3.315 2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.485 -0.671 5.293 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.560 -0.418 3.101 1.00 0.00 H new ATOM 762 N ALA A 47 -5.820 -6.995 5.850 1.00 0.00 N ATOM 763 CA ALA A 47 -5.713 -7.873 4.692 1.00 0.00 C ATOM 764 C ALA A 47 -6.498 -9.163 4.909 1.00 0.00 C ATOM 765 O ALA A 47 -7.012 -9.755 3.960 1.00 0.00 O ATOM 766 CB ALA A 47 -4.253 -8.185 4.400 1.00 0.00 C ATOM 0 H ALA A 47 -4.956 -6.893 6.383 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.142 -7.356 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.188 -8.842 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.717 -7.258 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.807 -8.679 5.263 1.00 0.00 H new ATOM 772 N LYS A 48 -6.584 -9.593 6.164 1.00 0.00 N ATOM 773 CA LYS A 48 -7.307 -10.813 6.505 1.00 0.00 C ATOM 774 C LYS A 48 -8.794 -10.667 6.204 1.00 0.00 C ATOM 775 O LYS A 48 -9.463 -11.638 5.849 1.00 0.00 O ATOM 776 CB LYS A 48 -7.106 -11.152 7.984 1.00 0.00 C ATOM 777 CG LYS A 48 -5.892 -12.029 8.247 1.00 0.00 C ATOM 778 CD LYS A 48 -5.877 -12.544 9.678 1.00 0.00 C ATOM 779 CE LYS A 48 -6.548 -13.904 9.787 1.00 0.00 C ATOM 780 NZ LYS A 48 -7.911 -13.901 9.189 1.00 0.00 N ATOM 0 H LYS A 48 -6.163 -9.115 6.961 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.909 -11.624 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.005 -10.226 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.997 -11.658 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.894 -12.872 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.982 -11.460 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.848 -12.616 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.387 -11.832 10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.934 -14.653 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.613 -14.194 10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.373 -14.814 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.474 -13.136 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.839 -13.750 8.162 1.00 0.00 H new ATOM 794 N LYS A 49 -9.306 -9.449 6.346 1.00 0.00 N ATOM 795 CA LYS A 49 -10.714 -9.177 6.090 1.00 0.00 C ATOM 796 C LYS A 49 -10.976 -9.011 4.596 1.00 0.00 C ATOM 797 O LYS A 49 -11.979 -9.497 4.074 1.00 0.00 O ATOM 798 CB LYS A 49 -11.156 -7.917 6.838 1.00 0.00 C ATOM 799 CG LYS A 49 -12.664 -7.733 6.882 1.00 0.00 C ATOM 800 CD LYS A 49 -13.150 -6.850 5.743 1.00 0.00 C ATOM 801 CE LYS A 49 -12.775 -5.394 5.967 1.00 0.00 C ATOM 802 NZ LYS A 49 -13.845 -4.468 5.506 1.00 0.00 N ATOM 0 H LYS A 49 -8.766 -8.634 6.637 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.292 -10.028 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.773 -7.957 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.706 -7.046 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.152 -8.706 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.950 -7.289 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.720 -7.197 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.232 -6.938 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.583 -5.228 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.849 -5.172 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.551 -3.485 5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.011 -4.608 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.722 -4.662 6.030 1.00 0.00 H new ATOM 816 N VAL A 50 -10.066 -8.323 3.914 1.00 0.00 N ATOM 817 CA VAL A 50 -10.201 -8.094 2.480 1.00 0.00 C ATOM 818 C VAL A 50 -9.866 -9.351 1.688 1.00 0.00 C ATOM 819 O VAL A 50 -10.585 -9.716 0.759 1.00 0.00 O ATOM 820 CB VAL A 50 -9.294 -6.943 2.004 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.583 -6.600 0.551 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.469 -5.719 2.892 1.00 0.00 C ATOM 0 H VAL A 50 -9.229 -7.915 4.330 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.241 -7.822 2.302 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.257 -7.271 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.933 -5.785 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.400 -7.475 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.624 -6.294 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.820 -4.918 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.507 -5.388 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.206 -5.974 3.919 1.00 0.00 H new ATOM 832 N GLU A 51 -8.776 -10.018 2.061 1.00 0.00 N ATOM 833 CA GLU A 51 -8.365 -11.241 1.376 1.00 0.00 C ATOM 834 C GLU A 51 -9.541 -12.202 1.261 1.00 0.00 C ATOM 835 O GLU A 51 -9.768 -12.800 0.209 1.00 0.00 O ATOM 836 CB GLU A 51 -7.202 -11.909 2.114 1.00 0.00 C ATOM 837 CG GLU A 51 -7.564 -12.403 3.505 1.00 0.00 C ATOM 838 CD GLU A 51 -8.165 -13.794 3.493 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.639 -14.662 2.763 1.00 0.00 O ATOM 840 OE2 GLU A 51 -9.161 -14.018 4.212 1.00 0.00 O ATOM 0 H GLU A 51 -8.166 -9.735 2.828 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.029 -10.977 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.843 -12.750 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.378 -11.200 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.671 -12.403 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.272 -11.710 3.960 1.00 0.00 H new ATOM 847 N GLY A 52 -10.303 -12.325 2.343 1.00 0.00 N ATOM 848 CA GLY A 52 -11.464 -13.189 2.328 1.00 0.00 C ATOM 849 C GLY A 52 -12.508 -12.674 1.362 1.00 0.00 C ATOM 850 O GLY A 52 -13.239 -13.449 0.745 1.00 0.00 O ATOM 0 H GLY A 52 -10.136 -11.843 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.167 -14.199 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.889 -13.251 3.330 1.00 0.00 H new ATOM 854 N ASP A 53 -12.557 -11.351 1.221 1.00 0.00 N ATOM 855 CA ASP A 53 -13.496 -10.708 0.313 1.00 0.00 C ATOM 856 C ASP A 53 -12.992 -10.805 -1.123 1.00 0.00 C ATOM 857 O ASP A 53 -13.778 -10.823 -2.070 1.00 0.00 O ATOM 858 CB ASP A 53 -13.690 -9.242 0.702 1.00 0.00 C ATOM 859 CG ASP A 53 -14.417 -9.085 2.023 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.277 -9.936 2.332 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.128 -8.110 2.748 1.00 0.00 O ATOM 0 H ASP A 53 -11.953 -10.704 1.728 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.455 -11.221 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.717 -8.754 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.251 -8.733 -0.081 1.00 0.00 H new ATOM 866 N MET A 54 -11.671 -10.869 -1.273 1.00 0.00 N ATOM 867 CA MET A 54 -11.049 -10.965 -2.586 1.00 0.00 C ATOM 868 C MET A 54 -11.305 -12.333 -3.210 1.00 0.00 C ATOM 869 O MET A 54 -11.730 -12.433 -4.362 1.00 0.00 O ATOM 870 CB MET A 54 -9.543 -10.717 -2.480 1.00 0.00 C ATOM 871 CG MET A 54 -9.171 -9.243 -2.437 1.00 0.00 C ATOM 872 SD MET A 54 -9.672 -8.358 -3.925 1.00 0.00 S ATOM 873 CE MET A 54 -11.245 -7.679 -3.403 1.00 0.00 C ATOM 0 H MET A 54 -11.010 -10.856 -0.496 1.00 0.00 H new ATOM 0 HA MET A 54 -11.493 -10.203 -3.226 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.165 -11.205 -1.582 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.045 -11.184 -3.330 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.638 -8.779 -1.568 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.093 -9.148 -2.308 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.039 -8.066 -4.042 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.440 -7.965 -2.369 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.216 -6.592 -3.480 1.00 0.00 H new ATOM 883 N TYR A 55 -11.043 -13.385 -2.441 1.00 0.00 N ATOM 884 CA TYR A 55 -11.242 -14.750 -2.914 1.00 0.00 C ATOM 885 C TYR A 55 -12.687 -14.969 -3.357 1.00 0.00 C ATOM 886 O TYR A 55 -12.940 -15.398 -4.478 1.00 0.00 O ATOM 887 CB TYR A 55 -10.863 -15.746 -1.809 1.00 0.00 C ATOM 888 CG TYR A 55 -11.158 -17.197 -2.142 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.460 -17.681 -2.127 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.133 -18.084 -2.459 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.734 -19.004 -2.418 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.400 -19.409 -2.754 1.00 0.00 C ATOM 893 CZ TYR A 55 -11.702 -19.862 -2.730 1.00 0.00 C ATOM 894 OH TYR A 55 -11.972 -21.180 -3.021 1.00 0.00 O ATOM 0 H TYR A 55 -10.692 -13.318 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.597 -14.915 -3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.799 -15.644 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.398 -15.479 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.272 -17.012 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.112 -17.732 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.752 -19.364 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.594 -20.084 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.313 -21.250 -3.937 1.00 0.00 H new ATOM 904 N GLU A 56 -13.631 -14.669 -2.470 1.00 0.00 N ATOM 905 CA GLU A 56 -15.053 -14.841 -2.770 1.00 0.00 C ATOM 906 C GLU A 56 -15.452 -14.137 -4.066 1.00 0.00 C ATOM 907 O GLU A 56 -16.251 -14.661 -4.843 1.00 0.00 O ATOM 908 CB GLU A 56 -15.902 -14.316 -1.610 1.00 0.00 C ATOM 909 CG GLU A 56 -16.307 -15.398 -0.621 1.00 0.00 C ATOM 910 CD GLU A 56 -17.741 -15.250 -0.153 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.190 -14.100 0.036 1.00 0.00 O ATOM 912 OE2 GLU A 56 -18.416 -16.287 0.027 1.00 0.00 O ATOM 0 H GLU A 56 -13.439 -14.305 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.233 -15.908 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.345 -13.542 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.800 -13.845 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.179 -16.376 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.642 -15.365 0.242 1.00 0.00 H new ATOM 919 N SER A 57 -14.900 -12.947 -4.297 1.00 0.00 N ATOM 920 CA SER A 57 -15.210 -12.176 -5.502 1.00 0.00 C ATOM 921 C SER A 57 -15.138 -13.048 -6.756 1.00 0.00 C ATOM 922 O SER A 57 -15.833 -12.796 -7.741 1.00 0.00 O ATOM 923 CB SER A 57 -14.247 -10.994 -5.635 1.00 0.00 C ATOM 924 OG SER A 57 -14.565 -10.202 -6.765 1.00 0.00 O ATOM 0 H SER A 57 -14.237 -12.495 -3.667 1.00 0.00 H new ATOM 0 HA SER A 57 -16.230 -11.803 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.291 -10.382 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.225 -11.362 -5.721 1.00 0.00 H new ATOM 0 HG SER A 57 -13.936 -9.453 -6.827 1.00 0.00 H new ATOM 930 N ALA A 58 -14.294 -14.070 -6.706 1.00 0.00 N ATOM 931 CA ALA A 58 -14.118 -14.987 -7.827 1.00 0.00 C ATOM 932 C ALA A 58 -15.021 -16.193 -7.707 1.00 0.00 C ATOM 933 O ALA A 58 -15.100 -16.822 -6.660 1.00 0.00 O ATOM 934 CB ALA A 58 -12.667 -15.444 -7.904 1.00 0.00 C ATOM 0 H ALA A 58 -13.716 -14.287 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.386 -14.451 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.545 -16.128 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.020 -14.578 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.396 -15.953 -6.979 1.00 0.00 H new ATOM 940 N ASN A 59 -15.655 -16.546 -8.809 1.00 0.00 N ATOM 941 CA ASN A 59 -16.484 -17.730 -8.841 1.00 0.00 C ATOM 942 C ASN A 59 -15.645 -18.851 -9.429 1.00 0.00 C ATOM 943 O ASN A 59 -16.101 -19.980 -9.590 1.00 0.00 O ATOM 944 CB ASN A 59 -17.752 -17.526 -9.671 1.00 0.00 C ATOM 945 CG ASN A 59 -17.456 -17.010 -11.066 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.082 -15.851 -11.245 1.00 0.00 O ATOM 947 ND2 ASN A 59 -17.624 -17.870 -12.063 1.00 0.00 N ATOM 0 H ASN A 59 -15.611 -16.031 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.814 -17.969 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.291 -18.471 -9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.409 -16.823 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.441 -17.579 -13.023 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.936 -18.822 -11.869 1.00 0.00 H new ATOM 954 N SER A 60 -14.394 -18.510 -9.749 1.00 0.00 N ATOM 955 CA SER A 60 -13.459 -19.469 -10.324 1.00 0.00 C ATOM 956 C SER A 60 -12.030 -19.152 -9.896 1.00 0.00 C ATOM 957 O SER A 60 -11.794 -18.207 -9.144 1.00 0.00 O ATOM 958 CB SER A 60 -13.561 -19.463 -11.850 1.00 0.00 C ATOM 959 OG SER A 60 -14.914 -19.439 -12.271 1.00 0.00 O ATOM 0 H SER A 60 -14.009 -17.575 -9.618 1.00 0.00 H new ATOM 0 HA SER A 60 -13.720 -20.461 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.037 -18.594 -12.249 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.067 -20.347 -12.254 1.00 0.00 H new ATOM 0 HG SER A 60 -14.952 -19.434 -13.250 1.00 0.00 H new ATOM 965 N ARG A 61 -11.082 -19.945 -10.380 1.00 0.00 N ATOM 966 CA ARG A 61 -9.677 -19.745 -10.044 1.00 0.00 C ATOM 967 C ARG A 61 -9.104 -18.541 -10.783 1.00 0.00 C ATOM 968 O ARG A 61 -8.569 -17.619 -10.167 1.00 0.00 O ATOM 969 CB ARG A 61 -8.867 -20.997 -10.384 1.00 0.00 C ATOM 970 CG ARG A 61 -7.579 -21.122 -9.586 1.00 0.00 C ATOM 971 CD ARG A 61 -6.531 -20.129 -10.061 1.00 0.00 C ATOM 972 NE ARG A 61 -6.283 -20.240 -11.497 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.613 -19.334 -12.205 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.122 -18.251 -11.616 1.00 0.00 N ATOM 975 NH2 ARG A 61 -5.431 -19.513 -13.507 1.00 0.00 N ATOM 0 H ARG A 61 -11.259 -20.731 -11.005 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.611 -19.555 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.483 -21.878 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.627 -20.987 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.787 -20.955 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.189 -22.136 -9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.859 -19.116 -9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.601 -20.296 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.644 -21.060 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.257 -18.109 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.609 -17.560 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.805 -20.345 -13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.918 -18.819 -14.050 1.00 0.00 H new ATOM 989 N ASP A 62 -9.216 -18.556 -12.108 1.00 0.00 N ATOM 990 CA ASP A 62 -8.707 -17.466 -12.934 1.00 0.00 C ATOM 991 C ASP A 62 -9.303 -16.128 -12.508 1.00 0.00 C ATOM 992 O ASP A 62 -8.603 -15.119 -12.440 1.00 0.00 O ATOM 993 CB ASP A 62 -9.019 -17.729 -14.409 1.00 0.00 C ATOM 994 CG ASP A 62 -8.123 -18.796 -15.008 1.00 0.00 C ATOM 995 OD1 ASP A 62 -6.961 -18.479 -15.338 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.584 -19.948 -15.148 1.00 0.00 O ATOM 0 H ASP A 62 -9.655 -19.312 -12.633 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.627 -17.418 -12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.060 -18.035 -14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.904 -16.803 -14.973 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.601 -16.129 -12.223 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.292 -14.915 -11.804 1.00 0.00 C ATOM 1003 C GLU A 63 -10.668 -14.341 -10.535 1.00 0.00 C ATOM 1004 O GLU A 63 -10.668 -13.128 -10.326 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.776 -15.204 -11.570 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.578 -13.980 -11.161 1.00 0.00 C ATOM 1007 CD GLU A 63 -13.737 -12.983 -12.292 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -12.817 -12.165 -12.496 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -14.784 -13.019 -12.972 1.00 0.00 O ATOM 0 H GLU A 63 -11.195 -16.956 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.192 -14.178 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.204 -15.621 -12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.871 -15.966 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.564 -14.294 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.087 -13.493 -10.319 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.139 -15.221 -9.692 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.512 -14.802 -8.443 1.00 0.00 C ATOM 1018 C TYR A 64 -8.131 -14.206 -8.698 1.00 0.00 C ATOM 1019 O TYR A 64 -7.677 -13.330 -7.961 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.401 -15.989 -7.482 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.728 -15.655 -6.169 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -8.920 -14.420 -5.560 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.899 -16.574 -5.538 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.305 -14.112 -4.361 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.282 -16.274 -4.339 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.488 -15.043 -3.755 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.874 -14.740 -2.561 1.00 0.00 O ATOM 0 H TYR A 64 -10.132 -16.229 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.139 -14.034 -7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.400 -16.374 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -8.845 -16.789 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.560 -13.689 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.734 -17.540 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.463 -13.148 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.641 -17.001 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.334 -15.504 -2.268 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.467 -14.686 -9.744 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.137 -14.201 -10.093 1.00 0.00 C ATOM 1039 C TYR A 65 -6.214 -12.838 -10.776 1.00 0.00 C ATOM 1040 O TYR A 65 -5.286 -12.035 -10.685 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.431 -15.204 -11.007 1.00 0.00 C ATOM 1042 CG TYR A 65 -3.984 -15.446 -10.639 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.639 -16.404 -9.694 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -2.964 -14.716 -11.237 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.318 -16.628 -9.354 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -1.641 -14.934 -10.903 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.323 -15.891 -9.962 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.006 -16.110 -9.627 1.00 0.00 O ATOM 0 H TYR A 65 -7.828 -15.410 -10.365 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.564 -14.092 -9.172 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.968 -16.152 -10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.480 -14.843 -12.034 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.416 -16.983 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.209 -13.966 -11.975 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.066 -17.376 -8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.860 -14.358 -11.376 1.00 0.00 H new ATOM 0 HH TYR A 65 0.568 -15.509 -10.147 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.324 -12.585 -11.462 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.517 -11.320 -12.163 1.00 0.00 C ATOM 1060 C HIS A 66 -7.975 -10.225 -11.202 1.00 0.00 C ATOM 1061 O HIS A 66 -7.388 -9.144 -11.156 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.541 -11.488 -13.288 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.010 -12.228 -14.474 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -7.818 -13.594 -14.487 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.629 -11.785 -15.697 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -7.342 -13.958 -15.664 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -7.218 -12.881 -16.416 1.00 0.00 N ATOM 0 H HIS A 66 -8.103 -13.238 -11.548 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.560 -11.023 -12.592 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.411 -12.017 -12.900 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.883 -10.503 -13.607 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.013 -14.224 -13.709 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.645 -10.762 -16.042 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.096 -14.967 -15.961 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.027 -10.511 -10.442 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.564 -9.548 -9.487 1.00 0.00 C ATOM 1078 C LEU A 67 -8.499 -9.121 -8.481 1.00 0.00 C ATOM 1079 O LEU A 67 -8.525 -8.000 -7.973 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.768 -10.141 -8.752 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.484 -11.423 -7.965 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -9.781 -11.102 -6.652 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.776 -12.184 -7.709 1.00 0.00 C ATOM 0 H LEU A 67 -9.524 -11.401 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.884 -8.667 -10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.160 -9.391 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.553 -10.347 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.823 -12.054 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.588 -12.026 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.837 -10.598 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.415 -10.451 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.558 -13.093 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.459 -11.558 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.238 -12.447 -8.661 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.564 -10.021 -8.196 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.492 -9.734 -7.249 1.00 0.00 C ATOM 1097 C LEU A 68 -5.532 -8.691 -7.812 1.00 0.00 C ATOM 1098 O LEU A 68 -5.255 -7.678 -7.170 1.00 0.00 O ATOM 1099 CB LEU A 68 -5.728 -11.015 -6.908 1.00 0.00 C ATOM 1100 CG LEU A 68 -4.934 -10.965 -5.602 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.821 -12.354 -4.993 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -3.553 -10.373 -5.840 1.00 0.00 C ATOM 0 H LEU A 68 -7.526 -10.954 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.942 -9.334 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.438 -11.840 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.042 -11.239 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.467 -10.324 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.253 -12.299 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.818 -12.743 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.311 -13.017 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.002 -10.345 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.012 -10.988 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.654 -9.361 -6.232 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.026 -8.946 -9.014 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.097 -8.028 -9.662 1.00 0.00 C ATOM 1116 C ALA A 69 -4.745 -6.670 -9.912 1.00 0.00 C ATOM 1117 O ALA A 69 -4.056 -5.660 -10.055 1.00 0.00 O ATOM 1118 CB ALA A 69 -3.591 -8.624 -10.967 1.00 0.00 C ATOM 0 H ALA A 69 -5.244 -9.780 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.251 -7.876 -8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.898 -7.928 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.078 -9.564 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.433 -8.807 -11.634 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.073 -6.647 -9.962 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.804 -5.407 -10.189 1.00 0.00 C ATOM 1126 C GLU A 70 -6.691 -4.494 -8.975 1.00 0.00 C ATOM 1127 O GLU A 70 -6.575 -3.275 -9.108 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.275 -5.702 -10.488 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.912 -4.709 -11.446 1.00 0.00 C ATOM 1130 CD GLU A 70 -10.402 -4.934 -11.614 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -10.790 -6.050 -12.020 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -11.180 -3.997 -11.339 1.00 0.00 O ATOM 0 H GLU A 70 -6.663 -7.471 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.366 -4.902 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.358 -6.704 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.834 -5.702 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.740 -3.696 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.425 -4.784 -12.418 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.722 -5.094 -7.789 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.619 -4.340 -6.545 1.00 0.00 C ATOM 1141 C LYS A 71 -5.162 -4.029 -6.217 1.00 0.00 C ATOM 1142 O LYS A 71 -4.837 -2.923 -5.786 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.257 -5.125 -5.396 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.730 -4.811 -5.190 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.920 -3.608 -4.279 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.225 -4.032 -2.853 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.231 -3.140 -2.212 1.00 0.00 N ATOM 0 H LYS A 71 -6.818 -6.102 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.152 -3.398 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.145 -6.192 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.716 -4.909 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.200 -4.617 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.231 -5.678 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.019 -2.994 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.733 -2.989 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.595 -5.057 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.306 -4.023 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.412 -3.463 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.868 -2.166 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.117 -3.168 -2.756 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.288 -5.011 -6.422 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.867 -4.840 -6.146 1.00 0.00 C ATOM 1163 C ILE A 72 -2.286 -3.686 -6.962 1.00 0.00 C ATOM 1164 O ILE A 72 -1.474 -2.906 -6.465 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.074 -6.137 -6.436 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -0.811 -6.188 -5.576 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -1.719 -6.248 -7.914 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -0.061 -7.498 -5.681 1.00 0.00 C ATOM 0 H ILE A 72 -4.540 -5.933 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.771 -4.607 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.708 -6.986 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.148 -5.374 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.083 -6.017 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.162 -7.169 -8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.633 -6.260 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.107 -5.394 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.823 -7.463 -5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.708 -8.314 -5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.242 -7.662 -6.715 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.712 -3.588 -8.217 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.241 -2.534 -9.107 1.00 0.00 C ATOM 1182 C TYR A 73 -2.892 -1.198 -8.753 1.00 0.00 C ATOM 1183 O TYR A 73 -2.285 -0.139 -8.915 1.00 0.00 O ATOM 1184 CB TYR A 73 -2.534 -2.916 -10.566 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.860 -1.747 -11.472 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.918 -0.762 -11.737 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.114 -1.632 -12.059 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.215 0.305 -12.564 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.419 -0.568 -12.887 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.467 0.397 -13.136 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.767 1.458 -13.960 1.00 0.00 O ATOM 0 H TYR A 73 -3.384 -4.227 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.164 -2.423 -8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.669 -3.442 -10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.369 -3.616 -10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.937 -0.831 -11.290 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.863 -2.386 -11.865 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.471 1.063 -12.761 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.398 -0.493 -13.336 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.689 1.372 -14.281 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.129 -1.256 -8.271 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.860 -0.052 -7.896 1.00 0.00 C ATOM 1203 C LYS A 74 -4.265 0.578 -6.640 1.00 0.00 C ATOM 1204 O LYS A 74 -3.883 1.748 -6.641 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.337 -0.377 -7.666 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.264 0.804 -7.904 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.596 0.358 -8.483 1.00 0.00 C ATOM 1208 CE LYS A 74 -9.667 0.262 -7.408 1.00 0.00 C ATOM 1209 NZ LYS A 74 -9.391 -0.840 -6.445 1.00 0.00 N ATOM 0 H LYS A 74 -4.646 -2.124 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.775 0.663 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.627 -1.195 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.468 -0.730 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.432 1.331 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.788 1.510 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.913 1.062 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.477 -0.611 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.727 1.208 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.638 0.100 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.178 -0.916 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.292 -1.737 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.510 -0.638 -5.930 1.00 0.00 H new ATOM 1223 N ILE A 75 -4.191 -0.207 -5.569 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.644 0.274 -4.306 1.00 0.00 C ATOM 1225 C ILE A 75 -2.172 0.648 -4.451 1.00 0.00 C ATOM 1226 O ILE A 75 -1.675 1.533 -3.755 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.786 -0.782 -3.193 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -5.225 -1.303 -3.131 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -3.369 -0.199 -1.851 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.319 -2.811 -3.050 1.00 0.00 C ATOM 0 H ILE A 75 -4.503 -1.178 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.216 1.160 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.127 -1.619 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.723 -0.869 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.765 -0.960 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.475 -0.958 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.329 0.124 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.003 0.655 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.367 -3.109 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.850 -3.253 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.808 -3.160 -2.153 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.479 -0.031 -5.359 1.00 0.00 N ATOM 1243 CA GLN A 76 -0.063 0.230 -5.594 1.00 0.00 C ATOM 1244 C GLN A 76 0.161 1.680 -6.013 1.00 0.00 C ATOM 1245 O GLN A 76 1.204 2.266 -5.721 1.00 0.00 O ATOM 1246 CB GLN A 76 0.479 -0.714 -6.670 1.00 0.00 C ATOM 1247 CG GLN A 76 1.088 -1.988 -6.108 1.00 0.00 C ATOM 1248 CD GLN A 76 2.604 -1.957 -6.107 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.215 -0.890 -6.056 1.00 0.00 O ATOM 1250 NE2 GLN A 76 3.219 -3.133 -6.164 1.00 0.00 N ATOM 0 H GLN A 76 -1.875 -0.766 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 76 0.473 0.053 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.330 -0.977 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.232 -0.189 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.730 -2.139 -5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.746 -2.840 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.672 -3.993 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.238 -3.176 -6.167 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.823 2.253 -6.698 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.731 3.634 -7.156 1.00 0.00 C ATOM 1261 C LYS A 77 -0.952 4.606 -6.002 1.00 0.00 C ATOM 1262 O LYS A 77 -0.396 5.704 -5.987 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.756 3.895 -8.261 1.00 0.00 C ATOM 1264 CG LYS A 77 -1.233 3.601 -9.658 1.00 0.00 C ATOM 1265 CD LYS A 77 -2.334 3.078 -10.566 1.00 0.00 C ATOM 1266 CE LYS A 77 -3.420 4.120 -10.784 1.00 0.00 C ATOM 1267 NZ LYS A 77 -4.538 3.967 -9.813 1.00 0.00 N ATOM 0 H LYS A 77 -1.693 1.783 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 77 0.271 3.793 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.640 3.284 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.073 4.937 -8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.807 4.508 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.429 2.868 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.908 2.789 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.772 2.181 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.991 5.117 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.807 4.035 -11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.444 4.127 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.524 3.006 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.429 4.661 -9.046 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.768 4.196 -5.036 1.00 0.00 N ATOM 1282 CA GLU A 78 -2.063 5.031 -3.877 1.00 0.00 C ATOM 1283 C GLU A 78 -0.793 5.332 -3.087 1.00 0.00 C ATOM 1284 O GLU A 78 -0.667 6.393 -2.477 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.089 4.344 -2.975 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.529 4.627 -3.366 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.505 3.647 -2.746 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -5.448 3.450 -1.514 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.328 3.076 -3.493 1.00 0.00 O ATOM 0 H GLU A 78 -2.237 3.290 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.479 5.973 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.919 3.268 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.930 4.668 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.792 5.639 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.621 4.588 -4.451 1.00 0.00 H new ATOM 1296 N LEU A 79 0.145 4.391 -3.103 1.00 0.00 N ATOM 1297 CA LEU A 79 1.406 4.556 -2.388 1.00 0.00 C ATOM 1298 C LEU A 79 2.165 5.778 -2.895 1.00 0.00 C ATOM 1299 O LEU A 79 2.889 6.428 -2.142 1.00 0.00 O ATOM 1300 CB LEU A 79 2.271 3.304 -2.541 1.00 0.00 C ATOM 1301 CG LEU A 79 2.010 2.206 -1.508 1.00 0.00 C ATOM 1302 CD1 LEU A 79 2.448 0.853 -2.044 1.00 0.00 C ATOM 1303 CD2 LEU A 79 2.728 2.522 -0.204 1.00 0.00 C ATOM 0 H LEU A 79 0.056 3.506 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 79 1.178 4.705 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.111 2.890 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.320 3.596 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 79 0.939 2.166 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.254 0.085 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.890 0.623 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.514 0.879 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.532 1.731 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.801 2.589 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.366 3.472 0.189 1.00 0.00 H new ATOM 1315 N GLU A 80 1.994 6.083 -4.178 1.00 0.00 N ATOM 1316 CA GLU A 80 2.665 7.227 -4.786 1.00 0.00 C ATOM 1317 C GLU A 80 2.135 8.536 -4.211 1.00 0.00 C ATOM 1318 O GLU A 80 2.866 9.522 -4.109 1.00 0.00 O ATOM 1319 CB GLU A 80 2.473 7.208 -6.303 1.00 0.00 C ATOM 1320 CG GLU A 80 3.548 6.428 -7.042 1.00 0.00 C ATOM 1321 CD GLU A 80 4.937 6.992 -6.816 1.00 0.00 C ATOM 1322 OE1 GLU A 80 5.598 6.568 -5.845 1.00 0.00 O ATOM 1323 OE2 GLU A 80 5.364 7.857 -7.609 1.00 0.00 O ATOM 0 H GLU A 80 1.398 5.555 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 80 3.729 7.156 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.499 6.775 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.461 8.233 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.525 5.388 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.327 6.434 -8.109 1.00 0.00 H new ATOM 1330 N GLU A 81 0.861 8.540 -3.837 1.00 0.00 N ATOM 1331 CA GLU A 81 0.233 9.729 -3.272 1.00 0.00 C ATOM 1332 C GLU A 81 0.863 10.093 -1.931 1.00 0.00 C ATOM 1333 O GLU A 81 0.932 11.266 -1.564 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.270 9.505 -3.098 1.00 0.00 C ATOM 1335 CG GLU A 81 -2.088 9.885 -4.322 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.432 10.487 -3.960 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.468 11.681 -3.597 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.447 9.764 -4.043 1.00 0.00 O ATOM 0 H GLU A 81 0.242 7.733 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 81 0.392 10.556 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.448 8.455 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.619 10.085 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.525 10.598 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.244 9.000 -4.939 1.00 0.00 H new ATOM 1345 N LYS A 82 1.320 9.079 -1.204 1.00 0.00 N ATOM 1346 CA LYS A 82 1.945 9.292 0.096 1.00 0.00 C ATOM 1347 C LYS A 82 3.275 10.023 -0.051 1.00 0.00 C ATOM 1348 O LYS A 82 3.529 11.016 0.630 1.00 0.00 O ATOM 1349 CB LYS A 82 2.159 7.954 0.808 1.00 0.00 C ATOM 1350 CG LYS A 82 0.889 7.374 1.408 1.00 0.00 C ATOM 1351 CD LYS A 82 0.637 7.915 2.807 1.00 0.00 C ATOM 1352 CE LYS A 82 -0.847 8.129 3.061 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.361 9.338 2.361 1.00 0.00 N ATOM 0 H LYS A 82 1.269 8.102 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 82 1.277 9.911 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.576 7.238 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.897 8.087 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.041 7.612 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.966 6.287 1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.037 7.220 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.169 8.858 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.403 7.253 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.021 8.228 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.337 9.526 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.762 10.155 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.343 9.178 1.334 1.00 0.00 H new ATOM 1367 N ARG A 83 4.122 9.523 -0.945 1.00 0.00 N ATOM 1368 CA ARG A 83 5.428 10.128 -1.181 1.00 0.00 C ATOM 1369 C ARG A 83 5.282 11.561 -1.679 1.00 0.00 C ATOM 1370 O ARG A 83 6.038 12.446 -1.280 1.00 0.00 O ATOM 1371 CB ARG A 83 6.222 9.301 -2.196 1.00 0.00 C ATOM 1372 CG ARG A 83 7.063 8.205 -1.562 1.00 0.00 C ATOM 1373 CD ARG A 83 8.444 8.714 -1.184 1.00 0.00 C ATOM 1374 NE ARG A 83 9.276 7.659 -0.611 1.00 0.00 N ATOM 1375 CZ ARG A 83 9.883 6.720 -1.332 1.00 0.00 C ATOM 1376 NH1 ARG A 83 9.753 6.699 -2.653 1.00 0.00 N ATOM 1377 NH2 ARG A 83 10.624 5.797 -0.732 1.00 0.00 N ATOM 0 H ARG A 83 3.928 8.701 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 83 5.968 10.145 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.529 8.851 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.874 9.965 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.558 7.825 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.159 7.370 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.934 9.123 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.347 9.529 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 83 9.399 7.641 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.185 7.405 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.221 5.976 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.728 5.807 0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.089 5.077 -1.285 1.00 0.00 H new ATOM 1391 N ARG A 84 4.304 11.785 -2.551 1.00 0.00 N ATOM 1392 CA ARG A 84 4.065 13.115 -3.097 1.00 0.00 C ATOM 1393 C ARG A 84 3.241 13.967 -2.140 1.00 0.00 C ATOM 1394 O ARG A 84 3.010 15.149 -2.395 1.00 0.00 O ATOM 1395 CB ARG A 84 3.368 13.022 -4.455 1.00 0.00 C ATOM 1396 CG ARG A 84 1.967 12.436 -4.381 1.00 0.00 C ATOM 1397 CD ARG A 84 0.915 13.526 -4.241 1.00 0.00 C ATOM 1398 NE ARG A 84 1.056 14.559 -5.264 1.00 0.00 N ATOM 1399 CZ ARG A 84 0.630 14.425 -6.518 1.00 0.00 C ATOM 1400 NH1 ARG A 84 0.035 13.304 -6.908 1.00 0.00 N ATOM 1401 NH2 ARG A 84 0.799 15.413 -7.385 1.00 0.00 N ATOM 0 H ARG A 84 3.667 11.066 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 84 5.034 13.597 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.314 14.018 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.974 12.411 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.768 11.850 -5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.901 11.754 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.078 13.082 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.994 13.981 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 84 1.508 15.435 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.098 12.540 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.289 13.207 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.256 16.277 -7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.472 15.310 -8.346 1.00 0.00 H new ATOM 1415 N SER A 85 2.820 13.376 -1.028 1.00 0.00 N ATOM 1416 CA SER A 85 2.051 14.106 -0.035 1.00 0.00 C ATOM 1417 C SER A 85 2.907 15.202 0.599 1.00 0.00 C ATOM 1418 O SER A 85 2.402 16.047 1.337 1.00 0.00 O ATOM 1419 CB SER A 85 1.532 13.155 1.045 1.00 0.00 C ATOM 1420 OG SER A 85 0.742 13.845 1.996 1.00 0.00 O ATOM 0 H SER A 85 2.998 12.399 -0.795 1.00 0.00 H new ATOM 0 HA SER A 85 1.198 14.569 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.942 12.363 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.373 12.675 1.546 1.00 0.00 H new ATOM 0 HG SER A 85 0.975 14.797 1.986 1.00 0.00 H new ATOM 1426 N ARG A 86 4.211 15.180 0.308 1.00 0.00 N ATOM 1427 CA ARG A 86 5.131 16.174 0.856 1.00 0.00 C ATOM 1428 C ARG A 86 6.192 16.585 -0.152 1.00 0.00 C ATOM 1429 O ARG A 86 6.894 17.580 0.028 1.00 0.00 O ATOM 1430 CB ARG A 86 5.799 15.635 2.114 1.00 0.00 C ATOM 1431 CG ARG A 86 4.835 15.393 3.264 1.00 0.00 C ATOM 1432 CD ARG A 86 4.453 13.925 3.374 1.00 0.00 C ATOM 1433 NE ARG A 86 4.046 13.565 4.730 1.00 0.00 N ATOM 1434 CZ ARG A 86 3.404 12.440 5.037 1.00 0.00 C ATOM 1435 NH1 ARG A 86 3.097 11.564 4.090 1.00 0.00 N ATOM 1436 NH2 ARG A 86 3.071 12.190 6.295 1.00 0.00 N ATOM 0 H ARG A 86 4.649 14.488 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 86 4.544 17.059 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.305 14.700 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.566 16.339 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.291 15.722 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.937 15.994 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.639 13.710 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.299 13.307 3.073 1.00 0.00 H new ATOM 0 HE ARG A 86 4.267 14.214 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.353 11.751 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.605 10.704 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.307 12.859 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.579 11.328 6.531 1.00 0.00 H new ATOM 1450 N LEU A 87 6.294 15.810 -1.203 1.00 0.00 N ATOM 1451 CA LEU A 87 7.261 16.062 -2.265 1.00 0.00 C ATOM 1452 C LEU A 87 8.686 16.024 -1.723 1.00 0.00 C ATOM 1453 O LEU A 87 8.847 15.960 -0.486 1.00 0.00 O ATOM 1454 CB LEU A 87 6.988 17.417 -2.921 1.00 0.00 C ATOM 1455 CG LEU A 87 7.422 17.527 -4.383 1.00 0.00 C ATOM 1456 CD1 LEU A 87 6.520 18.493 -5.136 1.00 0.00 C ATOM 1457 CD2 LEU A 87 8.875 17.969 -4.475 1.00 0.00 C ATOM 1458 OXT LEU A 87 9.630 16.057 -2.540 1.00 0.00 O ATOM 0 H LEU A 87 5.714 14.985 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 87 7.155 15.276 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.920 17.625 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.498 18.191 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 87 7.332 16.544 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.844 18.559 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.491 18.135 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.578 19.479 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.167 18.042 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.990 18.942 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.510 17.240 -3.971 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -14.235 4.580 -3.075 1.00 0.00 N ATOM 1472 CA GLY B 88 -13.315 5.181 -4.080 1.00 0.00 C ATOM 1473 C GLY B 88 -12.383 6.211 -3.471 1.00 0.00 C ATOM 1474 O GLY B 88 -11.172 6.002 -3.409 1.00 0.00 O ATOM 0 HA2 GLY B 88 -12.725 4.392 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -13.901 5.649 -4.871 1.00 0.00 H new ATOM 1480 N SER B 89 -12.950 7.325 -3.020 1.00 0.00 N ATOM 1481 CA SER B 89 -12.163 8.391 -2.413 1.00 0.00 C ATOM 1482 C SER B 89 -11.500 7.913 -1.125 1.00 0.00 C ATOM 1483 O SER B 89 -10.338 8.221 -0.862 1.00 0.00 O ATOM 1484 CB SER B 89 -13.048 9.605 -2.123 1.00 0.00 C ATOM 1485 OG SER B 89 -12.269 10.723 -1.731 1.00 0.00 O ATOM 0 H SER B 89 -13.952 7.513 -3.064 1.00 0.00 H new ATOM 0 HA SER B 89 -11.383 8.678 -3.118 1.00 0.00 H new ATOM 0 HB2 SER B 89 -13.629 9.856 -3.011 1.00 0.00 H new ATOM 0 HB3 SER B 89 -13.760 9.360 -1.335 1.00 0.00 H new ATOM 0 HG SER B 89 -12.858 11.486 -1.553 1.00 0.00 H new ATOM 1491 N GLY B 90 -12.247 7.157 -0.325 1.00 0.00 N ATOM 1492 CA GLY B 90 -11.715 6.649 0.924 1.00 0.00 C ATOM 1493 C GLY B 90 -12.257 7.391 2.130 1.00 0.00 C ATOM 1494 O GLY B 90 -12.242 8.621 2.168 1.00 0.00 O ATOM 0 H GLY B 90 -13.211 6.888 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -11.957 5.590 1.014 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -10.628 6.728 0.911 1.00 0.00 H new ATOM 1498 N THR B 91 -12.737 6.642 3.117 1.00 0.00 N ATOM 1499 CA THR B 91 -13.286 7.236 4.331 1.00 0.00 C ATOM 1500 C THR B 91 -12.385 6.955 5.530 1.00 0.00 C ATOM 1501 O THR B 91 -12.226 7.800 6.410 1.00 0.00 O ATOM 1502 CB THR B 91 -14.691 6.696 4.597 1.00 0.00 C ATOM 1503 OG1 THR B 91 -15.375 6.457 3.380 1.00 0.00 O ATOM 1504 CG2 THR B 91 -15.544 7.630 5.427 1.00 0.00 C ATOM 0 H THR B 91 -12.757 5.622 3.100 1.00 0.00 H new ATOM 0 HA THR B 91 -13.340 8.315 4.185 1.00 0.00 H new ATOM 0 HB THR B 91 -14.544 5.772 5.156 1.00 0.00 H new ATOM 0 HG1 THR B 91 -16.271 6.110 3.571 1.00 0.00 H new ATOM 0 HG21 THR B 91 -16.528 7.186 5.578 1.00 0.00 H new ATOM 0 HG22 THR B 91 -15.068 7.795 6.393 1.00 0.00 H new ATOM 0 HG23 THR B 91 -15.652 8.582 4.908 1.00 0.00 H new ATOM 1512 N ASP B 92 -11.800 5.762 5.557 1.00 0.00 N ATOM 1513 CA ASP B 92 -10.916 5.369 6.648 1.00 0.00 C ATOM 1514 C ASP B 92 -9.698 6.286 6.719 1.00 0.00 C ATOM 1515 O ASP B 92 -9.318 6.907 5.726 1.00 0.00 O ATOM 1516 CB ASP B 92 -10.466 3.918 6.471 1.00 0.00 C ATOM 1517 CG ASP B 92 -10.355 3.181 7.792 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -11.111 3.521 8.726 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -9.512 2.265 7.892 1.00 0.00 O ATOM 0 H ASP B 92 -11.922 5.051 4.836 1.00 0.00 H new ATOM 0 HA ASP B 92 -11.471 5.459 7.582 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -11.174 3.397 5.826 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -9.501 3.899 5.965 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.092 6.365 7.898 1.00 0.00 N ATOM 1525 CA LYS B 93 -7.917 7.206 8.099 1.00 0.00 C ATOM 1526 C LYS B 93 -6.663 6.355 8.272 1.00 0.00 C ATOM 1527 O LYS B 93 -5.566 6.765 7.891 1.00 0.00 O ATOM 1528 CB LYS B 93 -8.110 8.104 9.322 1.00 0.00 C ATOM 1529 CG LYS B 93 -7.031 9.162 9.475 1.00 0.00 C ATOM 1530 CD LYS B 93 -7.208 9.956 10.760 1.00 0.00 C ATOM 1531 CE LYS B 93 -7.944 11.262 10.510 1.00 0.00 C ATOM 1532 NZ LYS B 93 -9.419 11.098 10.620 1.00 0.00 N ATOM 0 H LYS B 93 -9.394 5.857 8.729 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.792 7.830 7.214 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -9.081 8.594 9.253 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.129 7.484 10.218 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.050 8.686 9.472 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -7.060 9.839 8.621 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -7.761 9.359 11.485 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.232 10.165 11.197 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.608 12.011 11.227 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.693 11.636 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.875 11.480 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -9.650 10.088 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -9.764 11.611 11.456 1.00 0.00 H new ATOM 1546 N GLU B 94 -6.832 5.169 8.847 1.00 0.00 N ATOM 1547 CA GLU B 94 -5.713 4.260 9.069 1.00 0.00 C ATOM 1548 C GLU B 94 -5.046 3.883 7.751 1.00 0.00 C ATOM 1549 O GLU B 94 -3.849 3.597 7.710 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.188 2.999 9.794 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.544 3.234 11.252 1.00 0.00 C ATOM 1552 CD GLU B 94 -6.519 1.957 12.070 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -6.671 0.868 11.477 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -6.346 2.046 13.304 1.00 0.00 O ATOM 0 H GLU B 94 -7.733 4.815 9.168 1.00 0.00 H new ATOM 0 HA GLU B 94 -4.980 4.773 9.691 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.059 2.598 9.276 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.407 2.241 9.737 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -5.845 3.951 11.682 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.536 3.681 11.313 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.826 3.886 6.673 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.307 3.545 5.353 1.00 0.00 C ATOM 1563 C LEU B 95 -4.117 4.429 4.993 1.00 0.00 C ATOM 1564 O LEU B 95 -3.170 3.982 4.345 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.404 3.691 4.296 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.105 3.020 2.955 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -6.573 1.574 2.965 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.761 3.789 1.818 1.00 0.00 C ATOM 0 H LEU B 95 -6.819 4.121 6.688 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.973 2.508 5.378 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.329 3.275 4.695 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.581 4.752 4.122 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.026 3.028 2.798 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.352 1.113 2.002 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.056 1.030 3.755 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.648 1.541 3.145 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.538 3.298 0.871 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.840 3.812 1.970 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.375 4.808 1.798 1.00 0.00 H new ATOM 1580 N SER B 96 -4.173 5.686 5.420 1.00 0.00 N ATOM 1581 CA SER B 96 -3.099 6.635 5.147 1.00 0.00 C ATOM 1582 C SER B 96 -1.919 6.403 6.086 1.00 0.00 C ATOM 1583 O SER B 96 -0.767 6.637 5.719 1.00 0.00 O ATOM 1584 CB SER B 96 -3.609 8.069 5.294 1.00 0.00 C ATOM 1585 OG SER B 96 -4.460 8.421 4.218 1.00 0.00 O ATOM 0 H SER B 96 -4.950 6.072 5.956 1.00 0.00 H new ATOM 0 HA SER B 96 -2.761 6.481 4.122 1.00 0.00 H new ATOM 0 HB2 SER B 96 -4.148 8.172 6.236 1.00 0.00 H new ATOM 0 HB3 SER B 96 -2.764 8.756 5.333 1.00 0.00 H new ATOM 0 HG SER B 96 -4.774 9.342 4.337 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.214 5.943 7.298 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.176 5.679 8.288 1.00 0.00 C ATOM 1593 C ASP B 97 -0.315 4.492 7.872 1.00 0.00 C ATOM 1594 O ASP B 97 0.910 4.529 7.991 1.00 0.00 O ATOM 1595 CB ASP B 97 -1.805 5.413 9.657 1.00 0.00 C ATOM 1596 CG ASP B 97 -2.440 6.653 10.254 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -3.421 7.159 9.668 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -1.956 7.121 11.306 1.00 0.00 O ATOM 0 H ASP B 97 -3.162 5.746 7.618 1.00 0.00 H new ATOM 0 HA ASP B 97 -0.538 6.561 8.353 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -2.560 4.632 9.561 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -1.041 5.036 10.337 1.00 0.00 H new ATOM 1603 N LEU B 98 -0.962 3.440 7.381 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.255 2.241 6.946 1.00 0.00 C ATOM 1605 C LEU B 98 0.525 2.506 5.663 1.00 0.00 C ATOM 1606 O LEU B 98 1.616 1.970 5.467 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.241 1.092 6.731 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.545 0.257 7.976 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -2.968 -0.278 7.924 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -0.549 -0.884 8.108 1.00 0.00 C ATOM 0 H LEU B 98 -1.975 3.394 7.274 1.00 0.00 H new ATOM 0 HA LEU B 98 0.451 1.961 7.728 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.176 1.503 6.351 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.845 0.433 5.958 1.00 0.00 H new ATOM 0 HG LEU B 98 -1.451 0.898 8.853 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.167 -0.870 8.817 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.669 0.556 7.877 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.089 -0.904 7.040 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -0.780 -1.468 8.999 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -0.611 -1.525 7.228 1.00 0.00 H new ATOM 0 HD23 LEU B 98 0.459 -0.479 8.191 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.041 3.335 4.793 1.00 0.00 N ATOM 1623 CA LEU B 99 0.602 3.669 3.527 1.00 0.00 C ATOM 1624 C LEU B 99 1.837 4.535 3.757 1.00 0.00 C ATOM 1625 O LEU B 99 2.818 4.442 3.019 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.381 4.396 2.608 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.203 4.113 1.115 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -0.482 2.649 0.812 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -1.111 5.013 0.290 1.00 0.00 C ATOM 0 H LEU B 99 -0.943 3.788 4.941 1.00 0.00 H new ATOM 0 HA LEU B 99 0.915 2.740 3.050 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.396 4.120 2.896 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.283 5.469 2.773 1.00 0.00 H new ATOM 0 HG LEU B 99 0.831 4.328 0.845 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -0.350 2.467 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.210 2.023 1.375 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -1.506 2.407 1.098 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.971 4.798 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -2.150 4.830 0.563 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.863 6.056 0.484 1.00 0.00 H new ATOM 1641 N ASP B 100 1.781 5.376 4.784 1.00 0.00 N ATOM 1642 CA ASP B 100 2.895 6.259 5.110 1.00 0.00 C ATOM 1643 C ASP B 100 4.099 5.457 5.594 1.00 0.00 C ATOM 1644 O ASP B 100 5.245 5.805 5.310 1.00 0.00 O ATOM 1645 CB ASP B 100 2.476 7.269 6.180 1.00 0.00 C ATOM 1646 CG ASP B 100 3.400 8.471 6.233 1.00 0.00 C ATOM 1647 OD1 ASP B 100 4.566 8.306 6.649 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.957 9.577 5.859 1.00 0.00 O ATOM 0 H ASP B 100 0.977 5.465 5.405 1.00 0.00 H new ATOM 0 HA ASP B 100 3.178 6.796 4.205 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.458 7.605 5.980 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.465 6.779 7.154 1.00 0.00 H new ATOM 1653 N PHE B 101 3.831 4.382 6.328 1.00 0.00 N ATOM 1654 CA PHE B 101 4.891 3.529 6.851 1.00 0.00 C ATOM 1655 C PHE B 101 5.668 2.868 5.717 1.00 0.00 C ATOM 1656 O PHE B 101 6.899 2.868 5.712 1.00 0.00 O ATOM 1657 CB PHE B 101 4.304 2.460 7.774 1.00 0.00 C ATOM 1658 CG PHE B 101 5.338 1.557 8.385 1.00 0.00 C ATOM 1659 CD1 PHE B 101 6.186 2.023 9.377 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.461 0.241 7.966 1.00 0.00 C ATOM 1661 CE1 PHE B 101 7.137 1.194 9.940 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.410 -0.592 8.526 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.249 -0.116 9.514 1.00 0.00 C ATOM 0 H PHE B 101 2.888 4.081 6.574 1.00 0.00 H new ATOM 0 HA PHE B 101 5.578 4.154 7.421 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.744 2.949 8.571 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.594 1.855 7.210 1.00 0.00 H new ATOM 0 HD1 PHE B 101 6.103 3.046 9.714 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.808 -0.137 7.193 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.792 1.569 10.712 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.496 -1.615 8.191 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.991 -0.766 9.953 1.00 0.00 H new ATOM 1673 N SER B 102 4.940 2.306 4.758 1.00 0.00 N ATOM 1674 CA SER B 102 5.561 1.642 3.617 1.00 0.00 C ATOM 1675 C SER B 102 6.279 2.650 2.726 1.00 0.00 C ATOM 1676 O SER B 102 7.347 2.364 2.184 1.00 0.00 O ATOM 1677 CB SER B 102 4.507 0.885 2.806 1.00 0.00 C ATOM 1678 OG SER B 102 3.974 -0.198 3.548 1.00 0.00 O ATOM 0 H SER B 102 3.920 2.297 4.748 1.00 0.00 H new ATOM 0 HA SER B 102 6.296 0.932 3.996 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.704 1.565 2.522 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.952 0.514 1.883 1.00 0.00 H new ATOM 0 HG SER B 102 3.099 -0.445 3.183 1.00 0.00 H new ATOM 1684 N ALA B 103 5.685 3.829 2.577 1.00 0.00 N ATOM 1685 CA ALA B 103 6.268 4.880 1.752 1.00 0.00 C ATOM 1686 C ALA B 103 7.456 5.531 2.450 1.00 0.00 C ATOM 1687 O ALA B 103 8.471 5.832 1.821 1.00 0.00 O ATOM 1688 CB ALA B 103 5.217 5.925 1.409 1.00 0.00 C ATOM 0 H ALA B 103 4.800 4.081 3.017 1.00 0.00 H new ATOM 0 HA ALA B 103 6.628 4.426 0.829 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.666 6.704 0.793 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.401 5.454 0.861 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.830 6.367 2.327 1.00 0.00 H new ATOM 1694 N MET B 104 7.324 5.746 3.755 1.00 0.00 N ATOM 1695 CA MET B 104 8.387 6.362 4.541 1.00 0.00 C ATOM 1696 C MET B 104 9.496 5.358 4.838 1.00 0.00 C ATOM 1697 O MET B 104 10.648 5.559 4.454 1.00 0.00 O ATOM 1698 CB MET B 104 7.825 6.921 5.848 1.00 0.00 C ATOM 1699 CG MET B 104 8.788 7.842 6.580 1.00 0.00 C ATOM 1700 SD MET B 104 7.978 8.814 7.865 1.00 0.00 S ATOM 1701 CE MET B 104 7.832 10.402 7.048 1.00 0.00 C ATOM 0 H MET B 104 6.491 5.503 4.291 1.00 0.00 H new ATOM 0 HA MET B 104 8.809 7.180 3.957 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.905 7.466 5.635 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.559 6.092 6.504 1.00 0.00 H new ATOM 0 HG2 MET B 104 9.584 7.247 7.027 1.00 0.00 H new ATOM 0 HG3 MET B 104 9.257 8.515 5.862 1.00 0.00 H new ATOM 0 HE1 MET B 104 7.348 11.113 7.718 1.00 0.00 H new ATOM 0 HE2 MET B 104 8.824 10.768 6.785 1.00 0.00 H new ATOM 0 HE3 MET B 104 7.234 10.292 6.143 1.00 0.00 H new ATOM 1711 N PHE B 105 9.140 4.277 5.523 1.00 0.00 N ATOM 1712 CA PHE B 105 10.105 3.241 5.872 1.00 0.00 C ATOM 1713 C PHE B 105 9.976 2.041 4.939 1.00 0.00 C ATOM 1714 O PHE B 105 9.025 1.265 5.038 1.00 0.00 O ATOM 1715 CB PHE B 105 9.907 2.798 7.323 1.00 0.00 C ATOM 1716 CG PHE B 105 11.192 2.482 8.034 1.00 0.00 C ATOM 1717 CD1 PHE B 105 12.239 3.389 8.037 1.00 0.00 C ATOM 1718 CD2 PHE B 105 11.352 1.277 8.700 1.00 0.00 C ATOM 1719 CE1 PHE B 105 13.423 3.102 8.690 1.00 0.00 C ATOM 1720 CE2 PHE B 105 12.533 0.984 9.355 1.00 0.00 C ATOM 1721 CZ PHE B 105 13.570 1.897 9.349 1.00 0.00 C ATOM 0 H PHE B 105 8.190 4.095 5.848 1.00 0.00 H new ATOM 0 HA PHE B 105 11.106 3.659 5.761 1.00 0.00 H new ATOM 0 HB2 PHE B 105 9.384 3.585 7.867 1.00 0.00 H new ATOM 0 HB3 PHE B 105 9.265 1.917 7.341 1.00 0.00 H new ATOM 0 HD1 PHE B 105 12.129 4.332 7.523 1.00 0.00 H new ATOM 0 HD2 PHE B 105 10.545 0.559 8.707 1.00 0.00 H new ATOM 0 HE1 PHE B 105 14.231 3.818 8.685 1.00 0.00 H new ATOM 0 HE2 PHE B 105 12.645 0.042 9.871 1.00 0.00 H new ATOM 0 HZ PHE B 105 14.494 1.669 9.859 1.00 0.00 H new ATOM 1731 N SER B 106 10.938 1.894 4.035 1.00 0.00 N ATOM 1732 CA SER B 106 10.932 0.789 3.084 1.00 0.00 C ATOM 1733 C SER B 106 12.295 0.105 3.037 1.00 0.00 C ATOM 1734 O SER B 106 12.467 -0.813 2.207 1.00 0.00 O ATOM 1735 CB SER B 106 10.550 1.289 1.690 1.00 0.00 C ATOM 1736 OG SER B 106 11.567 2.114 1.148 1.00 0.00 O ATOM 1737 OXT SER B 106 13.178 0.493 3.829 1.00 0.00 O ATOM 0 H SER B 106 11.732 2.527 3.941 1.00 0.00 H new ATOM 0 HA SER B 106 10.191 0.061 3.416 1.00 0.00 H new ATOM 0 HB2 SER B 106 10.377 0.439 1.030 1.00 0.00 H new ATOM 0 HB3 SER B 106 9.615 1.847 1.744 1.00 0.00 H new ATOM 0 HG SER B 106 11.300 2.419 0.256 1.00 0.00 H new TER 1743 SER B 106