USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.07 (180deg=0.762) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0441 USER MOD Single : A 13 SER OG : rot 17:sc= 0.503 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.133 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0355 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 2.13 (180deg=1.92) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 41 SER OG : rot 24:sc= 0.839 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.18 K(o=1.2,f=-0.15) USER MOD Single : A 53 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.7!) USER MOD Single : A 56 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1) USER MOD Single : A 62 HIS : no HE2:sc= -0.244 K(o=-0.24,f=-1.9) USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.887 -9.983 -4.183 1.00 7.21 N ATOM 2 CA MET A 1 -14.405 -11.365 -4.027 1.00 6.72 C ATOM 3 C MET A 1 -13.418 -11.663 -5.157 1.00 5.50 C ATOM 4 O MET A 1 -13.850 -11.844 -6.289 1.00 5.20 O ATOM 5 CB MET A 1 -15.597 -12.338 -4.011 1.00 7.13 C ATOM 6 CG MET A 1 -15.265 -13.697 -3.383 1.00 8.20 C ATOM 7 SD MET A 1 -16.676 -14.837 -3.356 1.00 9.08 S ATOM 8 CE MET A 1 -16.034 -16.142 -2.286 1.00 10.61 C ATOM 0 H1 MET A 1 -15.804 -9.879 -3.704 1.00 7.21 H new ATOM 0 H2 MET A 1 -14.200 -9.326 -3.761 1.00 7.21 H new ATOM 0 H3 MET A 1 -14.998 -9.766 -5.194 1.00 7.21 H new ATOM 0 HA MET A 1 -13.885 -11.492 -3.077 1.00 6.72 H new ATOM 0 HB2 MET A 1 -16.420 -11.883 -3.461 1.00 7.13 H new ATOM 0 HB3 MET A 1 -15.944 -12.493 -5.033 1.00 7.13 H new ATOM 0 HG2 MET A 1 -14.446 -14.156 -3.938 1.00 8.20 H new ATOM 0 HG3 MET A 1 -14.912 -13.542 -2.363 1.00 8.20 H new ATOM 0 HE1 MET A 1 -16.787 -16.921 -2.170 1.00 10.61 H new ATOM 0 HE2 MET A 1 -15.136 -16.569 -2.732 1.00 10.61 H new ATOM 0 HE3 MET A 1 -15.791 -15.725 -1.309 1.00 10.61 H new ATOM 20 N ALA A 2 -12.110 -11.652 -4.867 1.00 5.52 N ATOM 21 CA ALA A 2 -11.052 -11.718 -5.875 1.00 4.96 C ATOM 22 C ALA A 2 -11.183 -10.561 -6.874 1.00 3.20 C ATOM 23 O ALA A 2 -11.360 -10.775 -8.072 1.00 3.70 O ATOM 24 CB ALA A 2 -11.020 -13.100 -6.545 1.00 6.27 C ATOM 0 H ALA A 2 -11.756 -11.596 -3.912 1.00 5.52 H new ATOM 0 HA ALA A 2 -10.085 -11.595 -5.386 1.00 4.96 H new ATOM 0 HB1 ALA A 2 -10.225 -13.125 -7.291 1.00 6.27 H new ATOM 0 HB2 ALA A 2 -10.834 -13.865 -5.791 1.00 6.27 H new ATOM 0 HB3 ALA A 2 -11.978 -13.292 -7.029 1.00 6.27 H new ATOM 30 N GLU A 3 -11.123 -9.331 -6.352 1.00 2.28 N ATOM 31 CA GLU A 3 -11.363 -8.090 -7.077 1.00 1.07 C ATOM 32 C GLU A 3 -10.381 -7.017 -6.595 1.00 1.11 C ATOM 33 O GLU A 3 -9.608 -7.240 -5.666 1.00 2.13 O ATOM 34 CB GLU A 3 -12.817 -7.642 -6.843 1.00 2.88 C ATOM 35 CG GLU A 3 -13.816 -8.496 -7.632 1.00 3.58 C ATOM 36 CD GLU A 3 -15.246 -8.155 -7.253 1.00 4.38 C ATOM 37 OE1 GLU A 3 -15.711 -8.763 -6.262 1.00 4.91 O ATOM 38 OE2 GLU A 3 -15.826 -7.277 -7.923 1.00 5.26 O ATOM 0 H GLU A 3 -10.896 -9.172 -5.370 1.00 2.28 H new ATOM 0 HA GLU A 3 -11.209 -8.245 -8.145 1.00 1.07 H new ATOM 0 HB2 GLU A 3 -13.048 -7.703 -5.780 1.00 2.88 H new ATOM 0 HB3 GLU A 3 -12.925 -6.597 -7.133 1.00 2.88 H new ATOM 0 HG2 GLU A 3 -13.672 -8.336 -8.700 1.00 3.58 H new ATOM 0 HG3 GLU A 3 -13.628 -9.552 -7.440 1.00 3.58 H new ATOM 45 N LYS A 4 -10.452 -5.837 -7.216 1.00 0.65 N ATOM 46 CA LYS A 4 -9.632 -4.680 -6.883 1.00 0.62 C ATOM 47 C LYS A 4 -10.226 -3.947 -5.679 1.00 0.49 C ATOM 48 O LYS A 4 -11.417 -4.079 -5.399 1.00 0.55 O ATOM 49 CB LYS A 4 -9.545 -3.769 -8.116 1.00 0.96 C ATOM 50 CG LYS A 4 -10.880 -3.114 -8.507 1.00 1.18 C ATOM 51 CD LYS A 4 -10.772 -2.484 -9.908 1.00 2.00 C ATOM 52 CE LYS A 4 -11.304 -1.046 -9.959 1.00 2.64 C ATOM 53 NZ LYS A 4 -10.419 -0.108 -9.235 1.00 3.91 N ATOM 0 H LYS A 4 -11.100 -5.660 -7.984 1.00 0.65 H new ATOM 0 HA LYS A 4 -8.625 -4.993 -6.608 1.00 0.62 H new ATOM 0 HB2 LYS A 4 -8.811 -2.986 -7.925 1.00 0.96 H new ATOM 0 HB3 LYS A 4 -9.177 -4.352 -8.960 1.00 0.96 H new ATOM 0 HG2 LYS A 4 -11.676 -3.858 -8.495 1.00 1.18 H new ATOM 0 HG3 LYS A 4 -11.147 -2.350 -7.776 1.00 1.18 H new ATOM 0 HD2 LYS A 4 -9.729 -2.492 -10.225 1.00 2.00 H new ATOM 0 HD3 LYS A 4 -11.326 -3.096 -10.620 1.00 2.00 H new ATOM 0 HE2 LYS A 4 -11.397 -0.729 -10.998 1.00 2.64 H new ATOM 0 HE3 LYS A 4 -12.303 -1.012 -9.524 1.00 2.64 H new ATOM 0 HZ1 LYS A 4 -10.811 0.853 -9.292 1.00 3.91 H new ATOM 0 HZ2 LYS A 4 -10.350 -0.395 -8.238 1.00 3.91 H new ATOM 0 HZ3 LYS A 4 -9.472 -0.121 -9.666 1.00 3.91 H new ATOM 67 N THR A 5 -9.425 -3.160 -4.956 1.00 0.44 N ATOM 68 CA THR A 5 -9.875 -2.485 -3.740 1.00 0.47 C ATOM 69 C THR A 5 -9.009 -1.270 -3.517 1.00 0.49 C ATOM 70 O THR A 5 -7.916 -1.185 -4.075 1.00 0.63 O ATOM 71 CB THR A 5 -9.796 -3.434 -2.526 1.00 0.51 C ATOM 72 OG1 THR A 5 -10.621 -4.521 -2.818 1.00 0.57 O ATOM 73 CG2 THR A 5 -10.330 -2.841 -1.216 1.00 0.58 C ATOM 0 H THR A 5 -8.451 -2.975 -5.197 1.00 0.44 H new ATOM 0 HA THR A 5 -10.916 -2.182 -3.855 1.00 0.47 H new ATOM 0 HB THR A 5 -8.743 -3.671 -2.375 1.00 0.51 H new ATOM 0 HG1 THR A 5 -10.602 -5.156 -2.072 1.00 0.57 H new ATOM 0 HG21 THR A 5 -10.235 -3.577 -0.418 1.00 0.58 H new ATOM 0 HG22 THR A 5 -9.756 -1.951 -0.959 1.00 0.58 H new ATOM 0 HG23 THR A 5 -11.379 -2.573 -1.339 1.00 0.58 H new ATOM 81 N VAL A 6 -9.487 -0.342 -2.690 1.00 0.43 N ATOM 82 CA VAL A 6 -8.664 0.698 -2.144 1.00 0.36 C ATOM 83 C VAL A 6 -8.918 0.867 -0.651 1.00 0.33 C ATOM 84 O VAL A 6 -10.044 0.691 -0.192 1.00 0.42 O ATOM 85 CB VAL A 6 -8.844 1.964 -2.991 1.00 0.39 C ATOM 86 CG1 VAL A 6 -10.299 2.323 -3.297 1.00 0.46 C ATOM 87 CG2 VAL A 6 -8.158 3.207 -2.413 1.00 0.37 C ATOM 0 H VAL A 6 -10.461 -0.303 -2.388 1.00 0.43 H new ATOM 0 HA VAL A 6 -7.607 0.438 -2.202 1.00 0.36 H new ATOM 0 HB VAL A 6 -8.351 1.683 -3.922 1.00 0.39 H new ATOM 0 HG11 VAL A 6 -10.331 3.231 -3.900 1.00 0.46 H new ATOM 0 HG12 VAL A 6 -10.768 1.506 -3.846 1.00 0.46 H new ATOM 0 HG13 VAL A 6 -10.837 2.488 -2.364 1.00 0.46 H new ATOM 0 HG21 VAL A 6 -8.333 4.058 -3.071 1.00 0.37 H new ATOM 0 HG22 VAL A 6 -8.566 3.422 -1.425 1.00 0.37 H new ATOM 0 HG23 VAL A 6 -7.086 3.026 -2.331 1.00 0.37 H new ATOM 97 N TYR A 7 -7.844 1.141 0.097 1.00 0.26 N ATOM 98 CA TYR A 7 -7.818 1.163 1.552 1.00 0.22 C ATOM 99 C TYR A 7 -7.244 2.504 2.011 1.00 0.19 C ATOM 100 O TYR A 7 -6.479 3.133 1.277 1.00 0.31 O ATOM 101 CB TYR A 7 -6.940 0.016 2.064 1.00 0.24 C ATOM 102 CG TYR A 7 -7.263 -1.370 1.537 1.00 0.30 C ATOM 103 CD1 TYR A 7 -6.807 -1.770 0.265 1.00 1.88 C ATOM 104 CD2 TYR A 7 -7.873 -2.316 2.381 1.00 1.55 C ATOM 105 CE1 TYR A 7 -7.011 -3.089 -0.172 1.00 1.93 C ATOM 106 CE2 TYR A 7 -8.135 -3.616 1.918 1.00 1.53 C ATOM 107 CZ TYR A 7 -7.709 -3.999 0.637 1.00 0.50 C ATOM 108 OH TYR A 7 -7.853 -5.288 0.231 1.00 0.66 O ATOM 0 H TYR A 7 -6.938 1.361 -0.316 1.00 0.26 H new ATOM 0 HA TYR A 7 -8.826 1.040 1.948 1.00 0.22 H new ATOM 0 HB2 TYR A 7 -5.903 0.243 1.815 1.00 0.24 H new ATOM 0 HB3 TYR A 7 -7.009 -0.008 3.152 1.00 0.24 H new ATOM 0 HD1 TYR A 7 -6.300 -1.062 -0.374 1.00 1.88 H new ATOM 0 HD2 TYR A 7 -8.141 -2.041 3.390 1.00 1.55 H new ATOM 0 HE1 TYR A 7 -6.630 -3.404 -1.132 1.00 1.93 H new ATOM 0 HE2 TYR A 7 -8.663 -4.319 2.546 1.00 1.53 H new ATOM 0 HH TYR A 7 -8.360 -5.788 0.904 1.00 0.66 H new ATOM 118 N ARG A 8 -7.595 2.945 3.221 1.00 0.21 N ATOM 119 CA ARG A 8 -7.139 4.217 3.769 1.00 0.32 C ATOM 120 C ARG A 8 -5.864 3.989 4.571 1.00 0.28 C ATOM 121 O ARG A 8 -5.931 3.333 5.606 1.00 0.38 O ATOM 122 CB ARG A 8 -8.200 4.756 4.739 1.00 0.60 C ATOM 123 CG ARG A 8 -9.300 5.581 4.074 1.00 1.04 C ATOM 124 CD ARG A 8 -8.873 7.027 3.811 1.00 1.34 C ATOM 125 NE ARG A 8 -10.048 7.908 3.914 1.00 1.68 N ATOM 126 CZ ARG A 8 -10.012 9.195 4.287 1.00 2.63 C ATOM 127 NH1 ARG A 8 -8.839 9.835 4.384 1.00 3.70 N ATOM 128 NH2 ARG A 8 -11.156 9.830 4.566 1.00 3.52 N ATOM 0 H ARG A 8 -8.207 2.424 3.849 1.00 0.21 H new ATOM 0 HA ARG A 8 -6.965 4.917 2.952 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -8.658 3.916 5.261 1.00 0.60 H new ATOM 0 HB3 ARG A 8 -7.707 5.370 5.493 1.00 0.60 H new ATOM 0 HG2 ARG A 8 -9.581 5.112 3.131 1.00 1.04 H new ATOM 0 HG3 ARG A 8 -10.186 5.577 4.709 1.00 1.04 H new ATOM 0 HD2 ARG A 8 -8.113 7.330 4.531 1.00 1.34 H new ATOM 0 HD3 ARG A 8 -8.426 7.112 2.820 1.00 1.34 H new ATOM 0 HE ARG A 8 -10.958 7.509 3.684 1.00 1.68 H new ATOM 0 HH11 ARG A 8 -7.971 9.343 4.174 1.00 3.70 H new ATOM 0 HH12 ARG A 8 -8.814 10.814 4.668 1.00 3.70 H new ATOM 0 HH21 ARG A 8 -12.045 9.335 4.494 1.00 3.52 H new ATOM 0 HH22 ARG A 8 -11.139 10.809 4.851 1.00 3.52 H new ATOM 142 N VAL A 9 -4.735 4.546 4.123 1.00 0.37 N ATOM 143 CA VAL A 9 -3.470 4.517 4.852 1.00 0.35 C ATOM 144 C VAL A 9 -3.267 5.856 5.547 1.00 0.41 C ATOM 145 O VAL A 9 -3.485 6.898 4.928 1.00 0.47 O ATOM 146 CB VAL A 9 -2.298 4.171 3.911 1.00 0.33 C ATOM 147 CG1 VAL A 9 -2.210 5.059 2.662 1.00 0.35 C ATOM 148 CG2 VAL A 9 -0.956 4.281 4.642 1.00 0.46 C ATOM 0 H VAL A 9 -4.677 5.036 3.230 1.00 0.37 H new ATOM 0 HA VAL A 9 -3.501 3.734 5.609 1.00 0.35 H new ATOM 0 HB VAL A 9 -2.501 3.149 3.591 1.00 0.33 H new ATOM 0 HG11 VAL A 9 -1.359 4.749 2.055 1.00 0.35 H new ATOM 0 HG12 VAL A 9 -3.126 4.960 2.080 1.00 0.35 H new ATOM 0 HG13 VAL A 9 -2.081 6.099 2.963 1.00 0.35 H new ATOM 0 HG21 VAL A 9 -0.146 4.032 3.956 1.00 0.46 H new ATOM 0 HG22 VAL A 9 -0.822 5.300 5.006 1.00 0.46 H new ATOM 0 HG23 VAL A 9 -0.943 3.590 5.485 1.00 0.46 H new ATOM 158 N ASP A 10 -2.811 5.816 6.804 1.00 0.49 N ATOM 159 CA ASP A 10 -2.401 7.005 7.531 1.00 0.53 C ATOM 160 C ASP A 10 -1.147 6.671 8.326 1.00 0.63 C ATOM 161 O ASP A 10 -0.910 5.508 8.657 1.00 0.78 O ATOM 162 CB ASP A 10 -3.525 7.496 8.457 1.00 0.53 C ATOM 163 CG ASP A 10 -4.299 8.645 7.827 1.00 1.19 C ATOM 164 OD1 ASP A 10 -3.661 9.703 7.643 1.00 2.26 O ATOM 165 OD2 ASP A 10 -5.509 8.455 7.579 1.00 2.40 O ATOM 0 H ASP A 10 -2.719 4.953 7.340 1.00 0.49 H new ATOM 0 HA ASP A 10 -2.188 7.812 6.830 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -4.205 6.673 8.675 1.00 0.53 H new ATOM 0 HB3 ASP A 10 -3.101 7.819 9.408 1.00 0.53 H new ATOM 170 N GLY A 11 -0.370 7.706 8.646 1.00 0.68 N ATOM 171 CA GLY A 11 0.881 7.608 9.379 1.00 0.76 C ATOM 172 C GLY A 11 1.947 8.439 8.674 1.00 0.66 C ATOM 173 O GLY A 11 2.303 9.516 9.144 1.00 1.39 O ATOM 0 H GLY A 11 -0.607 8.665 8.391 1.00 0.68 H new ATOM 0 HA2 GLY A 11 0.745 7.962 10.401 1.00 0.76 H new ATOM 0 HA3 GLY A 11 1.198 6.567 9.442 1.00 0.76 H new ATOM 177 N LEU A 12 2.453 7.931 7.547 1.00 0.61 N ATOM 178 CA LEU A 12 3.559 8.550 6.827 1.00 0.64 C ATOM 179 C LEU A 12 3.096 9.573 5.781 1.00 0.93 C ATOM 180 O LEU A 12 1.911 9.648 5.458 1.00 1.36 O ATOM 181 CB LEU A 12 4.459 7.467 6.220 1.00 1.06 C ATOM 182 CG LEU A 12 3.797 6.442 5.287 1.00 1.63 C ATOM 183 CD1 LEU A 12 2.798 6.991 4.269 1.00 1.88 C ATOM 184 CD2 LEU A 12 4.948 5.754 4.544 1.00 2.61 C ATOM 0 H LEU A 12 2.104 7.078 7.111 1.00 0.61 H new ATOM 0 HA LEU A 12 4.143 9.123 7.547 1.00 0.64 H new ATOM 0 HB2 LEU A 12 5.256 7.963 5.665 1.00 1.06 H new ATOM 0 HB3 LEU A 12 4.931 6.923 7.038 1.00 1.06 H new ATOM 0 HG LEU A 12 3.193 5.781 5.909 1.00 1.63 H new ATOM 0 HD11 LEU A 12 2.401 6.171 3.671 1.00 1.88 H new ATOM 0 HD12 LEU A 12 1.981 7.488 4.792 1.00 1.88 H new ATOM 0 HD13 LEU A 12 3.299 7.706 3.617 1.00 1.88 H new ATOM 0 HD21 LEU A 12 4.545 5.008 3.859 1.00 2.61 H new ATOM 0 HD22 LEU A 12 5.512 6.497 3.980 1.00 2.61 H new ATOM 0 HD23 LEU A 12 5.606 5.268 5.264 1.00 2.61 H new ATOM 196 N SER A 13 4.059 10.311 5.214 1.00 1.14 N ATOM 197 CA SER A 13 3.858 11.274 4.136 1.00 1.62 C ATOM 198 C SER A 13 5.184 11.507 3.398 1.00 1.20 C ATOM 199 O SER A 13 5.867 12.484 3.691 1.00 1.37 O ATOM 200 CB SER A 13 3.345 12.605 4.712 1.00 2.41 C ATOM 201 OG SER A 13 2.008 12.487 5.155 1.00 3.84 O ATOM 0 H SER A 13 5.034 10.248 5.508 1.00 1.14 H new ATOM 0 HA SER A 13 3.120 10.879 3.437 1.00 1.62 H new ATOM 0 HB2 SER A 13 3.980 12.914 5.542 1.00 2.41 H new ATOM 0 HB3 SER A 13 3.412 13.383 3.952 1.00 2.41 H new ATOM 0 HG SER A 13 1.777 11.539 5.250 1.00 3.84 H new ATOM 207 N CYS A 14 5.557 10.645 2.442 1.00 1.01 N ATOM 208 CA CYS A 14 6.760 10.863 1.635 1.00 0.88 C ATOM 209 C CYS A 14 6.712 10.098 0.307 1.00 0.83 C ATOM 210 O CYS A 14 6.304 8.937 0.263 1.00 0.90 O ATOM 211 CB CYS A 14 8.013 10.483 2.427 1.00 1.03 C ATOM 212 SG CYS A 14 9.465 10.779 1.390 1.00 1.90 S ATOM 0 H CYS A 14 5.044 9.794 2.211 1.00 1.01 H new ATOM 0 HA CYS A 14 6.800 11.926 1.395 1.00 0.88 H new ATOM 0 HB2 CYS A 14 8.075 11.072 3.342 1.00 1.03 H new ATOM 0 HB3 CYS A 14 7.969 9.436 2.725 1.00 1.03 H new ATOM 0 HG CYS A 14 10.540 10.463 2.049 1.00 1.90 H new ATOM 218 N THR A 15 7.135 10.751 -0.780 1.00 0.83 N ATOM 219 CA THR A 15 7.156 10.177 -2.120 1.00 0.83 C ATOM 220 C THR A 15 8.069 8.948 -2.185 1.00 0.75 C ATOM 221 O THR A 15 7.682 7.913 -2.718 1.00 0.72 O ATOM 222 CB THR A 15 7.586 11.259 -3.120 1.00 0.93 C ATOM 223 OG1 THR A 15 6.768 12.402 -2.961 1.00 1.30 O ATOM 224 CG2 THR A 15 7.494 10.771 -4.568 1.00 1.48 C ATOM 0 H THR A 15 7.478 11.711 -0.748 1.00 0.83 H new ATOM 0 HA THR A 15 6.155 9.832 -2.381 1.00 0.83 H new ATOM 0 HB THR A 15 8.628 11.504 -2.914 1.00 0.93 H new ATOM 0 HG1 THR A 15 7.044 13.093 -3.599 1.00 1.30 H new ATOM 0 HG21 THR A 15 7.808 11.569 -5.241 1.00 1.48 H new ATOM 0 HG22 THR A 15 8.144 9.906 -4.702 1.00 1.48 H new ATOM 0 HG23 THR A 15 6.465 10.490 -4.793 1.00 1.48 H new ATOM 232 N ASN A 16 9.284 9.032 -1.642 1.00 0.76 N ATOM 233 CA ASN A 16 10.217 7.915 -1.677 1.00 0.76 C ATOM 234 C ASN A 16 9.620 6.704 -0.961 1.00 0.60 C ATOM 235 O ASN A 16 9.733 5.570 -1.431 1.00 0.57 O ATOM 236 CB ASN A 16 11.581 8.305 -1.092 1.00 0.90 C ATOM 237 CG ASN A 16 12.373 9.235 -2.011 1.00 1.67 C ATOM 238 OD1 ASN A 16 11.844 9.779 -2.973 1.00 2.69 O ATOM 239 ND2 ASN A 16 13.657 9.429 -1.726 1.00 2.14 N ATOM 0 H ASN A 16 9.641 9.864 -1.173 1.00 0.76 H new ATOM 0 HA ASN A 16 10.387 7.642 -2.718 1.00 0.76 H new ATOM 0 HB2 ASN A 16 11.432 8.793 -0.129 1.00 0.90 H new ATOM 0 HB3 ASN A 16 12.163 7.403 -0.906 1.00 0.90 H new ATOM 0 HD21 ASN A 16 14.223 10.041 -2.313 1.00 2.14 H new ATOM 0 HD22 ASN A 16 14.076 8.966 -0.920 1.00 2.14 H new ATOM 246 N CYS A 17 8.944 6.939 0.166 1.00 0.57 N ATOM 247 CA CYS A 17 8.213 5.880 0.845 1.00 0.50 C ATOM 248 C CYS A 17 7.130 5.320 -0.075 1.00 0.51 C ATOM 249 O CYS A 17 6.966 4.105 -0.159 1.00 0.47 O ATOM 250 CB CYS A 17 7.580 6.363 2.146 1.00 0.58 C ATOM 251 SG CYS A 17 8.820 6.738 3.406 1.00 0.90 S ATOM 0 H CYS A 17 8.891 7.850 0.622 1.00 0.57 H new ATOM 0 HA CYS A 17 8.930 5.098 1.094 1.00 0.50 H new ATOM 0 HB2 CYS A 17 6.983 7.253 1.949 1.00 0.58 H new ATOM 0 HB3 CYS A 17 6.900 5.599 2.523 1.00 0.58 H new ATOM 0 HG CYS A 17 8.228 7.146 4.489 1.00 0.90 H new ATOM 257 N ALA A 18 6.381 6.193 -0.758 1.00 0.59 N ATOM 258 CA ALA A 18 5.375 5.770 -1.728 1.00 0.63 C ATOM 259 C ALA A 18 5.993 4.833 -2.766 1.00 0.59 C ATOM 260 O ALA A 18 5.451 3.762 -3.032 1.00 0.58 O ATOM 261 CB ALA A 18 4.706 6.987 -2.381 1.00 0.72 C ATOM 0 H ALA A 18 6.457 7.205 -0.652 1.00 0.59 H new ATOM 0 HA ALA A 18 4.596 5.213 -1.207 1.00 0.63 H new ATOM 0 HB1 ALA A 18 3.960 6.650 -3.100 1.00 0.72 H new ATOM 0 HB2 ALA A 18 4.223 7.592 -1.614 1.00 0.72 H new ATOM 0 HB3 ALA A 18 5.460 7.585 -2.893 1.00 0.72 H new ATOM 267 N ALA A 19 7.156 5.212 -3.302 1.00 0.59 N ATOM 268 CA ALA A 19 7.886 4.400 -4.268 1.00 0.60 C ATOM 269 C ALA A 19 8.183 3.022 -3.672 1.00 0.52 C ATOM 270 O ALA A 19 7.885 1.993 -4.280 1.00 0.52 O ATOM 271 CB ALA A 19 9.168 5.110 -4.714 1.00 0.69 C ATOM 0 H ALA A 19 7.616 6.094 -3.075 1.00 0.59 H new ATOM 0 HA ALA A 19 7.268 4.260 -5.155 1.00 0.60 H new ATOM 0 HB1 ALA A 19 9.697 4.487 -5.435 1.00 0.69 H new ATOM 0 HB2 ALA A 19 8.914 6.064 -5.177 1.00 0.69 H new ATOM 0 HB3 ALA A 19 9.807 5.286 -3.848 1.00 0.69 H new ATOM 277 N LYS A 20 8.748 3.014 -2.457 1.00 0.48 N ATOM 278 CA LYS A 20 8.987 1.793 -1.694 1.00 0.46 C ATOM 279 C LYS A 20 7.717 0.941 -1.659 1.00 0.44 C ATOM 280 O LYS A 20 7.751 -0.263 -1.912 1.00 0.45 O ATOM 281 CB LYS A 20 9.404 2.146 -0.249 1.00 0.60 C ATOM 282 CG LYS A 20 10.467 1.202 0.326 1.00 0.48 C ATOM 283 CD LYS A 20 11.885 1.680 -0.038 1.00 1.34 C ATOM 284 CE LYS A 20 12.725 1.992 1.210 1.00 2.05 C ATOM 285 NZ LYS A 20 13.136 0.769 1.934 1.00 2.16 N ATOM 0 H LYS A 20 9.052 3.862 -1.978 1.00 0.48 H new ATOM 0 HA LYS A 20 9.787 1.231 -2.175 1.00 0.46 H new ATOM 0 HB2 LYS A 20 9.786 3.167 -0.228 1.00 0.60 H new ATOM 0 HB3 LYS A 20 8.523 2.122 0.392 1.00 0.60 H new ATOM 0 HG2 LYS A 20 10.364 1.150 1.410 1.00 0.48 H new ATOM 0 HG3 LYS A 20 10.309 0.194 -0.058 1.00 0.48 H new ATOM 0 HD2 LYS A 20 12.385 0.913 -0.629 1.00 1.34 H new ATOM 0 HD3 LYS A 20 11.818 2.571 -0.662 1.00 1.34 H new ATOM 0 HE2 LYS A 20 13.613 2.553 0.916 1.00 2.05 H new ATOM 0 HE3 LYS A 20 12.151 2.632 1.880 1.00 2.05 H new ATOM 0 HZ1 LYS A 20 13.700 1.032 2.767 1.00 2.16 H new ATOM 0 HZ2 LYS A 20 12.291 0.246 2.239 1.00 2.16 H new ATOM 0 HZ3 LYS A 20 13.707 0.169 1.305 1.00 2.16 H new ATOM 299 N PHE A 21 6.599 1.571 -1.299 1.00 0.45 N ATOM 300 CA PHE A 21 5.341 0.888 -1.086 1.00 0.42 C ATOM 301 C PHE A 21 4.846 0.267 -2.382 1.00 0.45 C ATOM 302 O PHE A 21 4.642 -0.944 -2.433 1.00 0.47 O ATOM 303 CB PHE A 21 4.305 1.844 -0.487 1.00 0.41 C ATOM 304 CG PHE A 21 3.300 1.166 0.420 1.00 0.97 C ATOM 305 CD1 PHE A 21 3.770 0.453 1.538 1.00 1.76 C ATOM 306 CD2 PHE A 21 1.926 1.461 0.318 1.00 2.38 C ATOM 307 CE1 PHE A 21 2.897 0.133 2.580 1.00 1.92 C ATOM 308 CE2 PHE A 21 1.086 1.249 1.426 1.00 2.63 C ATOM 309 CZ PHE A 21 1.600 0.649 2.584 1.00 1.64 C ATOM 0 H PHE A 21 6.550 2.579 -1.148 1.00 0.45 H new ATOM 0 HA PHE A 21 5.497 0.080 -0.371 1.00 0.42 H new ATOM 0 HB2 PHE A 21 4.823 2.620 0.076 1.00 0.41 H new ATOM 0 HB3 PHE A 21 3.772 2.341 -1.297 1.00 0.41 H new ATOM 0 HD1 PHE A 21 4.806 0.153 1.590 1.00 1.76 H new ATOM 0 HD2 PHE A 21 1.520 1.848 -0.605 1.00 2.38 H new ATOM 0 HE1 PHE A 21 3.225 -0.513 3.381 1.00 1.92 H new ATOM 0 HE2 PHE A 21 0.049 1.547 1.385 1.00 2.63 H new ATOM 0 HZ PHE A 21 0.995 0.586 3.476 1.00 1.64 H new ATOM 319 N GLU A 22 4.659 1.072 -3.435 1.00 0.46 N ATOM 320 CA GLU A 22 4.121 0.533 -4.670 1.00 0.49 C ATOM 321 C GLU A 22 5.023 -0.570 -5.196 1.00 0.44 C ATOM 322 O GLU A 22 4.528 -1.592 -5.653 1.00 0.45 O ATOM 323 CB GLU A 22 3.851 1.598 -5.734 1.00 0.57 C ATOM 324 CG GLU A 22 5.057 2.145 -6.506 1.00 0.70 C ATOM 325 CD GLU A 22 4.594 2.883 -7.755 1.00 1.15 C ATOM 326 OE1 GLU A 22 3.947 2.199 -8.586 1.00 2.08 O ATOM 327 OE2 GLU A 22 4.884 4.092 -7.849 1.00 2.13 O ATOM 0 H GLU A 22 4.868 2.070 -3.450 1.00 0.46 H new ATOM 0 HA GLU A 22 3.145 0.110 -4.434 1.00 0.49 H new ATOM 0 HB2 GLU A 22 3.149 1.182 -6.457 1.00 0.57 H new ATOM 0 HB3 GLU A 22 3.351 2.438 -5.251 1.00 0.57 H new ATOM 0 HG2 GLU A 22 5.630 2.818 -5.869 1.00 0.70 H new ATOM 0 HG3 GLU A 22 5.721 1.327 -6.784 1.00 0.70 H new ATOM 334 N ARG A 23 6.341 -0.371 -5.118 1.00 0.41 N ATOM 335 CA ARG A 23 7.275 -1.382 -5.579 1.00 0.43 C ATOM 336 C ARG A 23 7.101 -2.661 -4.763 1.00 0.43 C ATOM 337 O ARG A 23 6.934 -3.724 -5.352 1.00 0.44 O ATOM 338 CB ARG A 23 8.728 -0.891 -5.531 1.00 0.52 C ATOM 339 CG ARG A 23 9.608 -1.898 -6.295 1.00 0.84 C ATOM 340 CD ARG A 23 10.557 -1.225 -7.288 1.00 1.38 C ATOM 341 NE ARG A 23 11.700 -0.617 -6.595 1.00 1.61 N ATOM 342 CZ ARG A 23 12.558 0.256 -7.145 1.00 2.35 C ATOM 343 NH1 ARG A 23 12.333 0.734 -8.374 1.00 2.62 N ATOM 344 NH2 ARG A 23 13.645 0.641 -6.465 1.00 3.80 N ATOM 0 H ARG A 23 6.775 0.473 -4.743 1.00 0.41 H new ATOM 0 HA ARG A 23 7.051 -1.594 -6.624 1.00 0.43 H new ATOM 0 HB2 ARG A 23 8.808 0.099 -5.979 1.00 0.52 H new ATOM 0 HB3 ARG A 23 9.064 -0.801 -4.498 1.00 0.52 H new ATOM 0 HG2 ARG A 23 10.191 -2.479 -5.580 1.00 0.84 H new ATOM 0 HG3 ARG A 23 8.968 -2.600 -6.830 1.00 0.84 H new ATOM 0 HD2 ARG A 23 10.914 -1.959 -8.010 1.00 1.38 H new ATOM 0 HD3 ARG A 23 10.019 -0.461 -7.849 1.00 1.38 H new ATOM 0 HE ARG A 23 11.854 -0.878 -5.621 1.00 1.61 H new ATOM 0 HH11 ARG A 23 11.508 0.435 -8.894 1.00 2.62 H new ATOM 0 HH12 ARG A 23 12.986 1.398 -8.791 1.00 2.62 H new ATOM 0 HH21 ARG A 23 13.820 0.271 -5.531 1.00 3.80 H new ATOM 0 HH22 ARG A 23 14.298 1.304 -6.881 1.00 3.80 H new ATOM 358 N ASN A 24 7.092 -2.565 -3.427 1.00 0.43 N ATOM 359 CA ASN A 24 6.801 -3.717 -2.577 1.00 0.47 C ATOM 360 C ASN A 24 5.546 -4.422 -3.082 1.00 0.48 C ATOM 361 O ASN A 24 5.562 -5.630 -3.279 1.00 0.53 O ATOM 362 CB ASN A 24 6.573 -3.318 -1.114 1.00 0.57 C ATOM 363 CG ASN A 24 7.837 -3.246 -0.269 1.00 0.58 C ATOM 364 OD1 ASN A 24 8.596 -4.199 -0.163 1.00 1.62 O ATOM 365 ND2 ASN A 24 8.014 -2.141 0.447 1.00 1.37 N ATOM 0 H ASN A 24 7.283 -1.703 -2.917 1.00 0.43 H new ATOM 0 HA ASN A 24 7.668 -4.376 -2.623 1.00 0.47 H new ATOM 0 HB2 ASN A 24 6.080 -2.346 -1.089 1.00 0.57 H new ATOM 0 HB3 ASN A 24 5.889 -4.034 -0.659 1.00 0.57 H new ATOM 0 HD21 ASN A 24 8.795 -2.076 1.100 1.00 1.37 H new ATOM 0 HD22 ASN A 24 7.369 -1.357 0.343 1.00 1.37 H new ATOM 372 N VAL A 25 4.459 -3.674 -3.300 1.00 0.46 N ATOM 373 CA VAL A 25 3.220 -4.263 -3.789 1.00 0.48 C ATOM 374 C VAL A 25 3.459 -4.979 -5.123 1.00 0.47 C ATOM 375 O VAL A 25 3.140 -6.157 -5.251 1.00 0.47 O ATOM 376 CB VAL A 25 2.082 -3.225 -3.854 1.00 0.51 C ATOM 377 CG1 VAL A 25 0.754 -3.933 -4.150 1.00 0.50 C ATOM 378 CG2 VAL A 25 1.947 -2.425 -2.549 1.00 0.50 C ATOM 0 H VAL A 25 4.417 -2.667 -3.145 1.00 0.46 H new ATOM 0 HA VAL A 25 2.888 -5.018 -3.076 1.00 0.48 H new ATOM 0 HB VAL A 25 2.328 -2.524 -4.651 1.00 0.51 H new ATOM 0 HG11 VAL A 25 -0.049 -3.197 -4.195 1.00 0.50 H new ATOM 0 HG12 VAL A 25 0.824 -4.453 -5.105 1.00 0.50 H new ATOM 0 HG13 VAL A 25 0.542 -4.653 -3.360 1.00 0.50 H new ATOM 0 HG21 VAL A 25 1.132 -1.707 -2.645 1.00 0.50 H new ATOM 0 HG22 VAL A 25 1.735 -3.106 -1.725 1.00 0.50 H new ATOM 0 HG23 VAL A 25 2.877 -1.893 -2.350 1.00 0.50 H new ATOM 388 N LYS A 26 4.061 -4.293 -6.095 1.00 0.47 N ATOM 389 CA LYS A 26 4.463 -4.858 -7.378 1.00 0.46 C ATOM 390 C LYS A 26 5.255 -6.169 -7.198 1.00 0.45 C ATOM 391 O LYS A 26 5.060 -7.105 -7.969 1.00 0.49 O ATOM 392 CB LYS A 26 5.264 -3.811 -8.185 1.00 0.49 C ATOM 393 CG LYS A 26 4.463 -2.976 -9.195 1.00 0.82 C ATOM 394 CD LYS A 26 3.819 -1.690 -8.649 1.00 1.20 C ATOM 395 CE LYS A 26 3.033 -0.999 -9.784 1.00 1.23 C ATOM 396 NZ LYS A 26 2.326 0.246 -9.390 1.00 2.16 N ATOM 0 H LYS A 26 4.287 -3.302 -6.007 1.00 0.47 H new ATOM 0 HA LYS A 26 3.565 -5.113 -7.941 1.00 0.46 H new ATOM 0 HB2 LYS A 26 5.744 -3.130 -7.482 1.00 0.49 H new ATOM 0 HB3 LYS A 26 6.060 -4.328 -8.722 1.00 0.49 H new ATOM 0 HG2 LYS A 26 5.124 -2.706 -10.018 1.00 0.82 H new ATOM 0 HG3 LYS A 26 3.676 -3.604 -9.612 1.00 0.82 H new ATOM 0 HD2 LYS A 26 3.153 -1.926 -7.819 1.00 1.20 H new ATOM 0 HD3 LYS A 26 4.586 -1.020 -8.261 1.00 1.20 H new ATOM 0 HE2 LYS A 26 3.724 -0.766 -10.594 1.00 1.23 H new ATOM 0 HE3 LYS A 26 2.302 -1.704 -10.181 1.00 1.23 H new ATOM 0 HZ1 LYS A 26 1.971 0.728 -10.241 1.00 2.16 H new ATOM 0 HZ2 LYS A 26 1.527 0.009 -8.767 1.00 2.16 H new ATOM 0 HZ3 LYS A 26 2.984 0.874 -8.886 1.00 2.16 H new ATOM 410 N GLU A 27 6.140 -6.249 -6.198 1.00 0.42 N ATOM 411 CA GLU A 27 6.921 -7.449 -5.911 1.00 0.41 C ATOM 412 C GLU A 27 6.056 -8.620 -5.406 1.00 0.42 C ATOM 413 O GLU A 27 6.500 -9.764 -5.470 1.00 0.53 O ATOM 414 CB GLU A 27 8.058 -7.122 -4.926 1.00 0.44 C ATOM 415 CG GLU A 27 9.131 -6.206 -5.547 1.00 0.54 C ATOM 416 CD GLU A 27 10.124 -5.670 -4.519 1.00 1.22 C ATOM 417 OE1 GLU A 27 10.141 -6.207 -3.391 1.00 2.08 O ATOM 418 OE2 GLU A 27 10.858 -4.724 -4.884 1.00 1.91 O ATOM 0 H GLU A 27 6.333 -5.475 -5.563 1.00 0.42 H new ATOM 0 HA GLU A 27 7.357 -7.784 -6.852 1.00 0.41 H new ATOM 0 HB2 GLU A 27 7.641 -6.640 -4.042 1.00 0.44 H new ATOM 0 HB3 GLU A 27 8.525 -8.049 -4.594 1.00 0.44 H new ATOM 0 HG2 GLU A 27 9.673 -6.759 -6.314 1.00 0.54 H new ATOM 0 HG3 GLU A 27 8.642 -5.368 -6.044 1.00 0.54 H new ATOM 425 N ILE A 28 4.841 -8.380 -4.896 1.00 0.39 N ATOM 426 CA ILE A 28 3.973 -9.463 -4.441 1.00 0.40 C ATOM 427 C ILE A 28 3.353 -10.168 -5.654 1.00 0.39 C ATOM 428 O ILE A 28 2.596 -9.575 -6.417 1.00 0.54 O ATOM 429 CB ILE A 28 2.831 -8.960 -3.544 1.00 0.43 C ATOM 430 CG1 ILE A 28 3.232 -8.001 -2.416 1.00 0.39 C ATOM 431 CG2 ILE A 28 2.051 -10.138 -2.938 1.00 0.57 C ATOM 432 CD1 ILE A 28 1.983 -7.297 -1.876 1.00 1.35 C ATOM 0 H ILE A 28 4.442 -7.447 -4.790 1.00 0.39 H new ATOM 0 HA ILE A 28 4.593 -10.146 -3.860 1.00 0.40 H new ATOM 0 HB ILE A 28 2.211 -8.376 -4.225 1.00 0.43 H new ATOM 0 HG12 ILE A 28 3.727 -8.551 -1.616 1.00 0.39 H new ATOM 0 HG13 ILE A 28 3.946 -7.265 -2.786 1.00 0.39 H new ATOM 0 HG21 ILE A 28 1.248 -9.757 -2.307 1.00 0.57 H new ATOM 0 HG22 ILE A 28 1.627 -10.744 -3.739 1.00 0.57 H new ATOM 0 HG23 ILE A 28 2.724 -10.750 -2.338 1.00 0.57 H new ATOM 0 HD11 ILE A 28 2.267 -6.615 -1.074 1.00 1.35 H new ATOM 0 HD12 ILE A 28 1.507 -6.734 -2.679 1.00 1.35 H new ATOM 0 HD13 ILE A 28 1.285 -8.040 -1.490 1.00 1.35 H new ATOM 444 N GLU A 29 3.578 -11.472 -5.772 1.00 0.43 N ATOM 445 CA GLU A 29 3.054 -12.308 -6.834 1.00 0.47 C ATOM 446 C GLU A 29 1.529 -12.463 -6.799 1.00 0.64 C ATOM 447 O GLU A 29 0.917 -12.859 -7.787 1.00 1.78 O ATOM 448 CB GLU A 29 3.758 -13.661 -6.724 1.00 0.61 C ATOM 449 CG GLU A 29 5.207 -13.594 -7.216 1.00 0.74 C ATOM 450 CD GLU A 29 5.870 -14.960 -7.124 1.00 1.59 C ATOM 451 OE1 GLU A 29 6.170 -15.362 -5.980 1.00 2.67 O ATOM 452 OE2 GLU A 29 6.041 -15.586 -8.192 1.00 2.28 O ATOM 0 H GLU A 29 4.151 -11.989 -5.105 1.00 0.43 H new ATOM 0 HA GLU A 29 3.255 -11.833 -7.794 1.00 0.47 H new ATOM 0 HB2 GLU A 29 3.742 -13.995 -5.687 1.00 0.61 H new ATOM 0 HB3 GLU A 29 3.211 -14.403 -7.306 1.00 0.61 H new ATOM 0 HG2 GLU A 29 5.230 -13.242 -8.247 1.00 0.74 H new ATOM 0 HG3 GLU A 29 5.766 -12.872 -6.620 1.00 0.74 H new ATOM 459 N GLY A 30 0.918 -12.172 -5.653 1.00 0.80 N ATOM 460 CA GLY A 30 -0.525 -12.261 -5.465 1.00 0.84 C ATOM 461 C GLY A 30 -1.271 -11.168 -6.233 1.00 0.73 C ATOM 462 O GLY A 30 -2.402 -11.366 -6.674 1.00 0.90 O ATOM 0 H GLY A 30 1.419 -11.864 -4.819 1.00 0.80 H new ATOM 0 HA2 GLY A 30 -0.874 -13.239 -5.796 1.00 0.84 H new ATOM 0 HA3 GLY A 30 -0.758 -12.182 -4.403 1.00 0.84 H new ATOM 466 N VAL A 31 -0.670 -9.981 -6.345 1.00 0.55 N ATOM 467 CA VAL A 31 -1.330 -8.816 -6.898 1.00 0.52 C ATOM 468 C VAL A 31 -1.050 -8.702 -8.404 1.00 0.52 C ATOM 469 O VAL A 31 -0.463 -9.592 -9.015 1.00 0.87 O ATOM 470 CB VAL A 31 -0.906 -7.606 -6.050 1.00 0.53 C ATOM 471 CG1 VAL A 31 0.367 -6.927 -6.542 1.00 0.56 C ATOM 472 CG2 VAL A 31 -2.012 -6.567 -5.896 1.00 0.75 C ATOM 0 H VAL A 31 0.292 -9.810 -6.051 1.00 0.55 H new ATOM 0 HA VAL A 31 -2.416 -8.884 -6.842 1.00 0.52 H new ATOM 0 HB VAL A 31 -0.696 -8.036 -5.071 1.00 0.53 H new ATOM 0 HG11 VAL A 31 0.603 -6.083 -5.894 1.00 0.56 H new ATOM 0 HG12 VAL A 31 1.191 -7.640 -6.522 1.00 0.56 H new ATOM 0 HG13 VAL A 31 0.219 -6.572 -7.562 1.00 0.56 H new ATOM 0 HG21 VAL A 31 -1.650 -5.738 -5.287 1.00 0.75 H new ATOM 0 HG22 VAL A 31 -2.302 -6.196 -6.879 1.00 0.75 H new ATOM 0 HG23 VAL A 31 -2.875 -7.023 -5.411 1.00 0.75 H new ATOM 482 N THR A 32 -1.487 -7.607 -9.023 1.00 0.52 N ATOM 483 CA THR A 32 -1.128 -7.253 -10.383 1.00 0.60 C ATOM 484 C THR A 32 -0.727 -5.787 -10.392 1.00 0.66 C ATOM 485 O THR A 32 0.435 -5.489 -10.662 1.00 0.83 O ATOM 486 CB THR A 32 -2.250 -7.635 -11.357 1.00 0.63 C ATOM 487 OG1 THR A 32 -2.499 -9.020 -11.228 1.00 0.69 O ATOM 488 CG2 THR A 32 -1.882 -7.312 -12.807 1.00 0.76 C ATOM 0 H THR A 32 -2.111 -6.933 -8.580 1.00 0.52 H new ATOM 0 HA THR A 32 -0.268 -7.820 -10.740 1.00 0.60 H new ATOM 0 HB THR A 32 -3.139 -7.054 -11.110 1.00 0.63 H new ATOM 0 HG1 THR A 32 -3.216 -9.282 -11.843 1.00 0.69 H new ATOM 0 HG21 THR A 32 -2.704 -7.598 -13.463 1.00 0.76 H new ATOM 0 HG22 THR A 32 -1.695 -6.243 -12.905 1.00 0.76 H new ATOM 0 HG23 THR A 32 -0.985 -7.865 -13.087 1.00 0.76 H new ATOM 496 N GLU A 33 -1.646 -4.881 -10.042 1.00 0.60 N ATOM 497 CA GLU A 33 -1.327 -3.478 -9.924 1.00 0.66 C ATOM 498 C GLU A 33 -1.595 -2.953 -8.536 1.00 0.62 C ATOM 499 O GLU A 33 -2.307 -3.575 -7.748 1.00 0.86 O ATOM 500 CB GLU A 33 -2.156 -2.713 -10.947 1.00 0.70 C ATOM 501 CG GLU A 33 -1.260 -2.494 -12.153 1.00 1.24 C ATOM 502 CD GLU A 33 -0.339 -1.282 -11.950 1.00 2.61 C ATOM 503 OE1 GLU A 33 -0.022 -0.967 -10.772 1.00 4.14 O ATOM 504 OE2 GLU A 33 0.040 -0.684 -12.976 1.00 2.82 O ATOM 0 H GLU A 33 -2.619 -5.109 -9.837 1.00 0.60 H new ATOM 0 HA GLU A 33 -0.262 -3.341 -10.112 1.00 0.66 H new ATOM 0 HB2 GLU A 33 -3.047 -3.277 -11.223 1.00 0.70 H new ATOM 0 HB3 GLU A 33 -2.495 -1.761 -10.538 1.00 0.70 H new ATOM 0 HG2 GLU A 33 -0.658 -3.386 -12.328 1.00 1.24 H new ATOM 0 HG3 GLU A 33 -1.873 -2.343 -13.042 1.00 1.24 H new ATOM 511 N ALA A 34 -1.033 -1.778 -8.261 1.00 0.44 N ATOM 512 CA ALA A 34 -1.382 -1.010 -7.083 1.00 0.38 C ATOM 513 C ALA A 34 -1.023 0.450 -7.293 1.00 0.41 C ATOM 514 O ALA A 34 0.065 0.728 -7.816 1.00 0.50 O ATOM 515 CB ALA A 34 -0.682 -1.584 -5.859 1.00 0.48 C ATOM 0 H ALA A 34 -0.326 -1.338 -8.850 1.00 0.44 H new ATOM 0 HA ALA A 34 -2.457 -1.073 -6.914 1.00 0.38 H new ATOM 0 HB1 ALA A 34 -0.951 -1.000 -4.979 1.00 0.48 H new ATOM 0 HB2 ALA A 34 -0.991 -2.619 -5.715 1.00 0.48 H new ATOM 0 HB3 ALA A 34 0.397 -1.544 -6.005 1.00 0.48 H new ATOM 521 N ILE A 35 -1.930 1.353 -6.892 1.00 0.41 N ATOM 522 CA ILE A 35 -1.729 2.788 -7.014 1.00 0.47 C ATOM 523 C ILE A 35 -1.783 3.389 -5.609 1.00 0.42 C ATOM 524 O ILE A 35 -2.861 3.563 -5.040 1.00 0.47 O ATOM 525 CB ILE A 35 -2.763 3.420 -7.968 1.00 0.54 C ATOM 526 CG1 ILE A 35 -2.853 2.726 -9.341 1.00 0.60 C ATOM 527 CG2 ILE A 35 -2.382 4.891 -8.201 1.00 0.64 C ATOM 528 CD1 ILE A 35 -3.632 1.404 -9.362 1.00 1.73 C ATOM 0 H ILE A 35 -2.825 1.098 -6.473 1.00 0.41 H new ATOM 0 HA ILE A 35 -0.756 3.000 -7.457 1.00 0.47 H new ATOM 0 HB ILE A 35 -3.736 3.311 -7.488 1.00 0.54 H new ATOM 0 HG12 ILE A 35 -3.319 3.414 -10.047 1.00 0.60 H new ATOM 0 HG13 ILE A 35 -1.841 2.537 -9.701 1.00 0.60 H new ATOM 0 HG21 ILE A 35 -3.105 5.352 -8.874 1.00 0.64 H new ATOM 0 HG22 ILE A 35 -2.383 5.422 -7.249 1.00 0.64 H new ATOM 0 HG23 ILE A 35 -1.388 4.943 -8.645 1.00 0.64 H new ATOM 0 HD11 ILE A 35 -3.635 0.999 -10.374 1.00 1.73 H new ATOM 0 HD12 ILE A 35 -3.157 0.691 -8.688 1.00 1.73 H new ATOM 0 HD13 ILE A 35 -4.658 1.581 -9.039 1.00 1.73 H new ATOM 540 N VAL A 36 -0.617 3.687 -5.036 1.00 0.45 N ATOM 541 CA VAL A 36 -0.500 4.350 -3.744 1.00 0.46 C ATOM 542 C VAL A 36 -0.589 5.868 -3.930 1.00 0.46 C ATOM 543 O VAL A 36 0.036 6.396 -4.846 1.00 0.64 O ATOM 544 CB VAL A 36 0.820 3.920 -3.081 1.00 0.64 C ATOM 545 CG1 VAL A 36 2.058 4.392 -3.851 1.00 2.33 C ATOM 546 CG2 VAL A 36 0.917 4.458 -1.653 1.00 1.98 C ATOM 0 H VAL A 36 0.283 3.470 -5.465 1.00 0.45 H new ATOM 0 HA VAL A 36 -1.319 4.058 -3.087 1.00 0.46 H new ATOM 0 HB VAL A 36 0.805 2.830 -3.082 1.00 0.64 H new ATOM 0 HG11 VAL A 36 2.957 4.058 -3.334 1.00 2.33 H new ATOM 0 HG12 VAL A 36 2.042 3.974 -4.858 1.00 2.33 H new ATOM 0 HG13 VAL A 36 2.057 5.480 -3.910 1.00 2.33 H new ATOM 0 HG21 VAL A 36 1.859 4.140 -1.207 1.00 1.98 H new ATOM 0 HG22 VAL A 36 0.874 5.547 -1.671 1.00 1.98 H new ATOM 0 HG23 VAL A 36 0.087 4.072 -1.061 1.00 1.98 H new ATOM 556 N ASN A 37 -1.328 6.583 -3.069 1.00 0.48 N ATOM 557 CA ASN A 37 -1.203 8.041 -3.007 1.00 0.55 C ATOM 558 C ASN A 37 -0.112 8.423 -2.011 1.00 1.12 C ATOM 559 O ASN A 37 0.849 9.099 -2.364 1.00 2.78 O ATOM 560 CB ASN A 37 -2.519 8.704 -2.593 1.00 0.94 C ATOM 561 CG ASN A 37 -3.623 8.506 -3.627 1.00 1.43 C ATOM 562 OD1 ASN A 37 -3.919 9.393 -4.417 1.00 2.05 O ATOM 563 ND2 ASN A 37 -4.267 7.342 -3.617 1.00 2.27 N ATOM 0 H ASN A 37 -2.005 6.183 -2.419 1.00 0.48 H new ATOM 0 HA ASN A 37 -0.942 8.394 -4.005 1.00 0.55 H new ATOM 0 HB2 ASN A 37 -2.844 8.294 -1.637 1.00 0.94 H new ATOM 0 HB3 ASN A 37 -2.353 9.771 -2.443 1.00 0.94 H new ATOM 0 HD21 ASN A 37 -5.026 7.173 -4.277 1.00 2.27 H new ATOM 0 HD22 ASN A 37 -4.002 6.618 -2.949 1.00 2.27 H new ATOM 570 N PHE A 38 -0.294 8.013 -0.747 1.00 0.85 N ATOM 571 CA PHE A 38 0.419 8.565 0.404 1.00 1.00 C ATOM 572 C PHE A 38 0.172 10.073 0.523 1.00 1.16 C ATOM 573 O PHE A 38 -0.648 10.634 -0.198 1.00 2.08 O ATOM 574 CB PHE A 38 1.914 8.177 0.386 1.00 1.30 C ATOM 575 CG PHE A 38 2.253 6.756 0.800 1.00 1.32 C ATOM 576 CD1 PHE A 38 1.253 5.812 1.110 1.00 1.61 C ATOM 577 CD2 PHE A 38 3.605 6.414 0.992 1.00 2.35 C ATOM 578 CE1 PHE A 38 1.605 4.549 1.606 1.00 1.76 C ATOM 579 CE2 PHE A 38 3.953 5.125 1.426 1.00 2.66 C ATOM 580 CZ PHE A 38 2.954 4.199 1.752 1.00 1.93 C ATOM 0 H PHE A 38 -0.953 7.276 -0.497 1.00 0.85 H new ATOM 0 HA PHE A 38 0.017 8.117 1.313 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.296 8.338 -0.622 1.00 1.30 H new ATOM 0 HB3 PHE A 38 2.451 8.861 1.043 1.00 1.30 H new ATOM 0 HD1 PHE A 38 0.213 6.063 0.965 1.00 1.61 H new ATOM 0 HD2 PHE A 38 4.377 7.146 0.805 1.00 2.35 H new ATOM 0 HE1 PHE A 38 0.834 3.843 1.877 1.00 1.76 H new ATOM 0 HE2 PHE A 38 4.993 4.847 1.509 1.00 2.66 H new ATOM 0 HZ PHE A 38 3.223 3.218 2.115 1.00 1.93 H new ATOM 590 N GLY A 39 0.811 10.715 1.505 1.00 1.54 N ATOM 591 CA GLY A 39 0.565 12.116 1.802 1.00 1.64 C ATOM 592 C GLY A 39 -0.830 12.318 2.394 1.00 1.55 C ATOM 593 O GLY A 39 -1.472 13.325 2.111 1.00 2.32 O ATOM 0 H GLY A 39 1.507 10.276 2.108 1.00 1.54 H new ATOM 0 HA2 GLY A 39 1.317 12.479 2.503 1.00 1.64 H new ATOM 0 HA3 GLY A 39 0.666 12.707 0.892 1.00 1.64 H new ATOM 597 N ALA A 40 -1.282 11.359 3.214 1.00 1.84 N ATOM 598 CA ALA A 40 -2.546 11.388 3.939 1.00 1.80 C ATOM 599 C ALA A 40 -3.681 11.240 2.935 1.00 1.10 C ATOM 600 O ALA A 40 -4.349 12.205 2.571 1.00 1.58 O ATOM 601 CB ALA A 40 -2.667 12.637 4.823 1.00 2.81 C ATOM 0 H ALA A 40 -0.749 10.508 3.393 1.00 1.84 H new ATOM 0 HA ALA A 40 -2.598 10.552 4.636 1.00 1.80 H new ATOM 0 HB1 ALA A 40 -3.623 12.621 5.346 1.00 2.81 H new ATOM 0 HB2 ALA A 40 -1.855 12.648 5.550 1.00 2.81 H new ATOM 0 HB3 ALA A 40 -2.609 13.530 4.201 1.00 2.81 H new ATOM 607 N SER A 41 -3.853 10.019 2.427 1.00 0.81 N ATOM 608 CA SER A 41 -4.786 9.735 1.352 1.00 1.04 C ATOM 609 C SER A 41 -5.216 8.265 1.400 1.00 0.62 C ATOM 610 O SER A 41 -5.924 7.872 2.326 1.00 0.56 O ATOM 611 CB SER A 41 -4.188 10.204 0.016 1.00 2.05 C ATOM 612 OG SER A 41 -4.315 11.605 -0.120 1.00 2.48 O ATOM 0 H SER A 41 -3.343 9.199 2.756 1.00 0.81 H new ATOM 0 HA SER A 41 -5.711 10.299 1.472 1.00 1.04 H new ATOM 0 HB2 SER A 41 -3.137 9.922 -0.037 1.00 2.05 H new ATOM 0 HB3 SER A 41 -4.694 9.705 -0.811 1.00 2.05 H new ATOM 0 HG SER A 41 -4.395 12.014 0.767 1.00 2.48 H new ATOM 618 N LYS A 42 -4.855 7.463 0.394 1.00 0.53 N ATOM 619 CA LYS A 42 -5.310 6.088 0.257 1.00 0.36 C ATOM 620 C LYS A 42 -4.364 5.281 -0.634 1.00 0.37 C ATOM 621 O LYS A 42 -3.534 5.857 -1.345 1.00 0.53 O ATOM 622 CB LYS A 42 -6.757 6.072 -0.249 1.00 0.65 C ATOM 623 CG LYS A 42 -6.965 6.770 -1.602 1.00 0.97 C ATOM 624 CD LYS A 42 -8.400 7.301 -1.631 1.00 1.66 C ATOM 625 CE LYS A 42 -8.794 7.890 -2.991 1.00 2.60 C ATOM 626 NZ LYS A 42 -10.157 8.464 -2.963 1.00 3.49 N ATOM 0 H LYS A 42 -4.230 7.760 -0.355 1.00 0.53 H new ATOM 0 HA LYS A 42 -5.295 5.603 1.233 1.00 0.36 H new ATOM 0 HB2 LYS A 42 -7.088 5.037 -0.333 1.00 0.65 H new ATOM 0 HB3 LYS A 42 -7.394 6.551 0.495 1.00 0.65 H new ATOM 0 HG2 LYS A 42 -6.252 7.585 -1.726 1.00 0.97 H new ATOM 0 HG3 LYS A 42 -6.798 6.073 -2.423 1.00 0.97 H new ATOM 0 HD2 LYS A 42 -9.086 6.492 -1.379 1.00 1.66 H new ATOM 0 HD3 LYS A 42 -8.514 8.066 -0.863 1.00 1.66 H new ATOM 0 HE2 LYS A 42 -8.079 8.663 -3.274 1.00 2.60 H new ATOM 0 HE3 LYS A 42 -8.742 7.113 -3.753 1.00 2.60 H new ATOM 0 HZ1 LYS A 42 -10.389 8.853 -3.899 1.00 3.49 H new ATOM 0 HZ2 LYS A 42 -10.842 7.721 -2.717 1.00 3.49 H new ATOM 0 HZ3 LYS A 42 -10.200 9.223 -2.253 1.00 3.49 H new ATOM 640 N ILE A 43 -4.514 3.958 -0.592 1.00 0.30 N ATOM 641 CA ILE A 43 -3.726 3.006 -1.377 1.00 0.32 C ATOM 642 C ILE A 43 -4.660 2.032 -2.104 1.00 0.30 C ATOM 643 O ILE A 43 -5.432 1.317 -1.462 1.00 0.28 O ATOM 644 CB ILE A 43 -2.664 2.340 -0.469 1.00 0.32 C ATOM 645 CG1 ILE A 43 -1.747 1.298 -1.151 1.00 0.38 C ATOM 646 CG2 ILE A 43 -3.266 1.793 0.832 1.00 0.33 C ATOM 647 CD1 ILE A 43 -2.392 -0.031 -1.543 1.00 0.77 C ATOM 0 H ILE A 43 -5.206 3.505 0.005 1.00 0.30 H new ATOM 0 HA ILE A 43 -3.166 3.510 -2.164 1.00 0.32 H new ATOM 0 HB ILE A 43 -1.996 3.165 -0.222 1.00 0.32 H new ATOM 0 HG12 ILE A 43 -1.327 1.750 -2.049 1.00 0.38 H new ATOM 0 HG13 ILE A 43 -0.914 1.087 -0.481 1.00 0.38 H new ATOM 0 HG21 ILE A 43 -2.480 1.336 1.433 1.00 0.33 H new ATOM 0 HG22 ILE A 43 -3.723 2.608 1.392 1.00 0.33 H new ATOM 0 HG23 ILE A 43 -4.023 1.045 0.596 1.00 0.33 H new ATOM 0 HD11 ILE A 43 -1.646 -0.673 -2.011 1.00 0.77 H new ATOM 0 HD12 ILE A 43 -2.786 -0.521 -0.652 1.00 0.77 H new ATOM 0 HD13 ILE A 43 -3.205 0.152 -2.245 1.00 0.77 H new ATOM 659 N THR A 44 -4.607 2.022 -3.443 1.00 0.32 N ATOM 660 CA THR A 44 -5.352 1.100 -4.294 1.00 0.36 C ATOM 661 C THR A 44 -4.515 -0.116 -4.646 1.00 0.36 C ATOM 662 O THR A 44 -3.314 -0.007 -4.876 1.00 0.36 O ATOM 663 CB THR A 44 -5.782 1.779 -5.591 1.00 0.43 C ATOM 664 OG1 THR A 44 -6.645 2.835 -5.308 1.00 0.43 O ATOM 665 CG2 THR A 44 -6.505 0.848 -6.579 1.00 0.54 C ATOM 0 H THR A 44 -4.028 2.674 -3.972 1.00 0.32 H new ATOM 0 HA THR A 44 -6.232 0.789 -3.731 1.00 0.36 H new ATOM 0 HB THR A 44 -4.857 2.113 -6.061 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.917 3.268 -6.144 1.00 0.43 H new ATOM 0 HG21 THR A 44 -6.777 1.408 -7.474 1.00 0.54 H new ATOM 0 HG22 THR A 44 -5.845 0.025 -6.852 1.00 0.54 H new ATOM 0 HG23 THR A 44 -7.406 0.451 -6.112 1.00 0.54 H new ATOM 673 N VAL A 45 -5.201 -1.247 -4.758 1.00 0.44 N ATOM 674 CA VAL A 45 -4.683 -2.570 -5.049 1.00 0.40 C ATOM 675 C VAL A 45 -5.573 -3.133 -6.162 1.00 0.49 C ATOM 676 O VAL A 45 -6.792 -2.952 -6.127 1.00 0.55 O ATOM 677 CB VAL A 45 -4.798 -3.392 -3.760 1.00 0.48 C ATOM 678 CG1 VAL A 45 -4.330 -4.837 -3.941 1.00 0.58 C ATOM 679 CG2 VAL A 45 -4.004 -2.767 -2.606 1.00 1.00 C ATOM 0 H VAL A 45 -6.214 -1.259 -4.637 1.00 0.44 H new ATOM 0 HA VAL A 45 -3.642 -2.579 -5.373 1.00 0.40 H new ATOM 0 HB VAL A 45 -5.860 -3.391 -3.516 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -4.433 -5.374 -2.998 1.00 0.58 H new ATOM 0 HG12 VAL A 45 -4.938 -5.324 -4.704 1.00 0.58 H new ATOM 0 HG13 VAL A 45 -3.285 -4.845 -4.251 1.00 0.58 H new ATOM 0 HG21 VAL A 45 -4.114 -3.383 -1.713 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -2.950 -2.709 -2.879 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -4.383 -1.765 -2.405 1.00 1.00 H new ATOM 689 N THR A 46 -5.002 -3.732 -7.211 1.00 0.56 N ATOM 690 CA THR A 46 -5.733 -4.184 -8.393 1.00 0.80 C ATOM 691 C THR A 46 -5.080 -5.441 -8.906 1.00 0.80 C ATOM 692 O THR A 46 -4.364 -5.435 -9.898 1.00 1.39 O ATOM 693 CB THR A 46 -5.793 -3.070 -9.449 1.00 0.95 C ATOM 694 OG1 THR A 46 -6.512 -2.055 -8.812 1.00 0.97 O ATOM 695 CG2 THR A 46 -6.545 -3.445 -10.732 1.00 1.22 C ATOM 0 H THR A 46 -4.000 -3.919 -7.261 1.00 0.56 H new ATOM 0 HA THR A 46 -6.768 -4.415 -8.140 1.00 0.80 H new ATOM 0 HB THR A 46 -4.783 -2.815 -9.770 1.00 0.95 H new ATOM 0 HG1 THR A 46 -6.602 -1.289 -9.416 1.00 0.97 H new ATOM 0 HG21 THR A 46 -6.537 -2.599 -11.419 1.00 1.22 H new ATOM 0 HG22 THR A 46 -6.058 -4.299 -11.202 1.00 1.22 H new ATOM 0 HG23 THR A 46 -7.575 -3.703 -10.488 1.00 1.22 H new ATOM 703 N GLY A 47 -5.340 -6.522 -8.191 1.00 0.80 N ATOM 704 CA GLY A 47 -4.925 -7.844 -8.598 1.00 0.65 C ATOM 705 C GLY A 47 -5.819 -8.857 -7.895 1.00 0.74 C ATOM 706 O GLY A 47 -7.033 -8.824 -8.078 1.00 1.19 O ATOM 0 H GLY A 47 -5.848 -6.502 -7.307 1.00 0.80 H new ATOM 0 HA2 GLY A 47 -5.005 -7.952 -9.680 1.00 0.65 H new ATOM 0 HA3 GLY A 47 -3.880 -8.012 -8.337 1.00 0.65 H new ATOM 710 N GLU A 48 -5.220 -9.699 -7.052 1.00 0.42 N ATOM 711 CA GLU A 48 -5.909 -10.698 -6.246 1.00 0.43 C ATOM 712 C GLU A 48 -5.175 -10.819 -4.902 1.00 0.42 C ATOM 713 O GLU A 48 -4.636 -11.866 -4.545 1.00 0.54 O ATOM 714 CB GLU A 48 -5.992 -12.024 -7.031 1.00 0.48 C ATOM 715 CG GLU A 48 -7.338 -12.736 -6.829 1.00 0.85 C ATOM 716 CD GLU A 48 -7.602 -13.146 -5.383 1.00 2.41 C ATOM 717 OE1 GLU A 48 -7.859 -12.229 -4.572 1.00 4.31 O ATOM 718 OE2 GLU A 48 -7.585 -14.367 -5.125 1.00 2.75 O ATOM 0 H GLU A 48 -4.210 -9.702 -6.910 1.00 0.42 H new ATOM 0 HA GLU A 48 -6.938 -10.409 -6.031 1.00 0.43 H new ATOM 0 HB2 GLU A 48 -5.844 -11.825 -8.092 1.00 0.48 H new ATOM 0 HB3 GLU A 48 -5.184 -12.683 -6.714 1.00 0.48 H new ATOM 0 HG2 GLU A 48 -8.141 -12.079 -7.164 1.00 0.85 H new ATOM 0 HG3 GLU A 48 -7.368 -13.624 -7.461 1.00 0.85 H new ATOM 725 N ALA A 49 -5.092 -9.702 -4.172 1.00 0.38 N ATOM 726 CA ALA A 49 -4.473 -9.659 -2.858 1.00 0.40 C ATOM 727 C ALA A 49 -5.138 -8.586 -2.001 1.00 0.33 C ATOM 728 O ALA A 49 -5.794 -7.690 -2.528 1.00 0.41 O ATOM 729 CB ALA A 49 -2.977 -9.380 -3.002 1.00 0.50 C ATOM 0 H ALA A 49 -5.456 -8.802 -4.484 1.00 0.38 H new ATOM 0 HA ALA A 49 -4.605 -10.623 -2.366 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -2.516 -9.348 -2.015 1.00 0.50 H new ATOM 0 HB2 ALA A 49 -2.515 -10.170 -3.593 1.00 0.50 H new ATOM 0 HB3 ALA A 49 -2.832 -8.422 -3.501 1.00 0.50 H new ATOM 735 N SER A 50 -4.934 -8.687 -0.684 1.00 0.35 N ATOM 736 CA SER A 50 -5.476 -7.789 0.322 1.00 0.34 C ATOM 737 C SER A 50 -4.362 -6.959 0.946 1.00 0.26 C ATOM 738 O SER A 50 -3.189 -7.338 0.900 1.00 0.27 O ATOM 739 CB SER A 50 -6.160 -8.608 1.417 1.00 0.41 C ATOM 740 OG SER A 50 -7.320 -9.223 0.896 1.00 0.59 O ATOM 0 H SER A 50 -4.362 -9.429 -0.281 1.00 0.35 H new ATOM 0 HA SER A 50 -6.196 -7.122 -0.153 1.00 0.34 H new ATOM 0 HB2 SER A 50 -5.476 -9.365 1.800 1.00 0.41 H new ATOM 0 HB3 SER A 50 -6.424 -7.964 2.256 1.00 0.41 H new ATOM 0 HG SER A 50 -7.756 -9.749 1.599 1.00 0.59 H new ATOM 746 N ILE A 51 -4.748 -5.849 1.587 1.00 0.25 N ATOM 747 CA ILE A 51 -3.814 -4.902 2.157 1.00 0.28 C ATOM 748 C ILE A 51 -2.776 -5.554 3.058 1.00 0.31 C ATOM 749 O ILE A 51 -1.642 -5.114 3.026 1.00 0.39 O ATOM 750 CB ILE A 51 -4.552 -3.759 2.869 1.00 0.36 C ATOM 751 CG1 ILE A 51 -3.693 -2.507 2.855 1.00 0.54 C ATOM 752 CG2 ILE A 51 -4.955 -4.083 4.315 1.00 0.39 C ATOM 753 CD1 ILE A 51 -3.523 -1.911 1.451 1.00 1.92 C ATOM 0 H ILE A 51 -5.726 -5.592 1.719 1.00 0.25 H new ATOM 0 HA ILE A 51 -3.255 -4.476 1.324 1.00 0.28 H new ATOM 0 HB ILE A 51 -5.478 -3.605 2.315 1.00 0.36 H new ATOM 0 HG12 ILE A 51 -4.141 -1.759 3.509 1.00 0.54 H new ATOM 0 HG13 ILE A 51 -2.711 -2.742 3.265 1.00 0.54 H new ATOM 0 HG21 ILE A 51 -5.471 -3.227 4.749 1.00 0.39 H new ATOM 0 HG22 ILE A 51 -5.618 -4.948 4.323 1.00 0.39 H new ATOM 0 HG23 ILE A 51 -4.063 -4.304 4.901 1.00 0.39 H new ATOM 0 HD11 ILE A 51 -2.899 -1.019 1.508 1.00 1.92 H new ATOM 0 HD12 ILE A 51 -3.048 -2.645 0.799 1.00 1.92 H new ATOM 0 HD13 ILE A 51 -4.500 -1.646 1.048 1.00 1.92 H new ATOM 765 N GLN A 52 -3.136 -6.587 3.826 1.00 0.34 N ATOM 766 CA GLN A 52 -2.235 -7.313 4.720 1.00 0.45 C ATOM 767 C GLN A 52 -0.810 -7.448 4.170 1.00 0.39 C ATOM 768 O GLN A 52 0.161 -7.181 4.873 1.00 0.42 O ATOM 769 CB GLN A 52 -2.835 -8.692 5.011 1.00 0.56 C ATOM 770 CG GLN A 52 -3.895 -8.617 6.118 1.00 0.93 C ATOM 771 CD GLN A 52 -3.276 -8.805 7.501 1.00 2.12 C ATOM 772 OE1 GLN A 52 -3.250 -9.922 8.007 1.00 2.41 O ATOM 773 NE2 GLN A 52 -2.762 -7.753 8.132 1.00 3.38 N ATOM 0 H GLN A 52 -4.089 -6.950 3.842 1.00 0.34 H new ATOM 0 HA GLN A 52 -2.142 -6.734 5.639 1.00 0.45 H new ATOM 0 HB2 GLN A 52 -3.283 -9.095 4.103 1.00 0.56 H new ATOM 0 HB3 GLN A 52 -2.044 -9.380 5.309 1.00 0.56 H new ATOM 0 HG2 GLN A 52 -4.401 -7.653 6.073 1.00 0.93 H new ATOM 0 HG3 GLN A 52 -4.652 -9.383 5.950 1.00 0.93 H new ATOM 0 HE21 GLN A 52 -2.793 -6.832 7.696 1.00 3.38 H new ATOM 0 HE22 GLN A 52 -2.337 -7.868 9.052 1.00 3.38 H new ATOM 782 N GLN A 53 -0.663 -7.847 2.906 1.00 0.32 N ATOM 783 CA GLN A 53 0.669 -8.008 2.330 1.00 0.33 C ATOM 784 C GLN A 53 1.391 -6.656 2.181 1.00 0.30 C ATOM 785 O GLN A 53 2.590 -6.538 2.431 1.00 0.36 O ATOM 786 CB GLN A 53 0.554 -8.740 0.993 1.00 0.39 C ATOM 787 CG GLN A 53 -0.043 -10.144 1.167 1.00 0.57 C ATOM 788 CD GLN A 53 -0.102 -10.892 -0.161 1.00 0.80 C ATOM 789 OE1 GLN A 53 -0.531 -10.343 -1.167 1.00 2.35 O ATOM 790 NE2 GLN A 53 0.325 -12.150 -0.189 1.00 1.15 N ATOM 0 H GLN A 53 -1.434 -8.061 2.273 1.00 0.32 H new ATOM 0 HA GLN A 53 1.278 -8.606 3.008 1.00 0.33 H new ATOM 0 HB2 GLN A 53 -0.070 -8.160 0.313 1.00 0.39 H new ATOM 0 HB3 GLN A 53 1.540 -8.817 0.534 1.00 0.39 H new ATOM 0 HG2 GLN A 53 0.557 -10.711 1.879 1.00 0.57 H new ATOM 0 HG3 GLN A 53 -1.046 -10.065 1.587 1.00 0.57 H new ATOM 0 HE21 GLN A 53 0.679 -12.588 0.662 1.00 1.15 H new ATOM 0 HE22 GLN A 53 0.299 -12.678 -1.061 1.00 1.15 H new ATOM 799 N VAL A 54 0.655 -5.622 1.779 1.00 0.27 N ATOM 800 CA VAL A 54 1.163 -4.268 1.624 1.00 0.30 C ATOM 801 C VAL A 54 1.511 -3.688 3.006 1.00 0.36 C ATOM 802 O VAL A 54 2.559 -3.079 3.201 1.00 0.37 O ATOM 803 CB VAL A 54 0.111 -3.416 0.884 1.00 0.31 C ATOM 804 CG1 VAL A 54 0.656 -2.014 0.618 1.00 0.38 C ATOM 805 CG2 VAL A 54 -0.339 -4.090 -0.420 1.00 0.31 C ATOM 0 H VAL A 54 -0.335 -5.709 1.547 1.00 0.27 H new ATOM 0 HA VAL A 54 2.076 -4.266 1.028 1.00 0.30 H new ATOM 0 HB VAL A 54 -0.767 -3.330 1.524 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -0.097 -1.424 0.095 1.00 0.38 H new ATOM 0 HG12 VAL A 54 0.901 -1.533 1.565 1.00 0.38 H new ATOM 0 HG13 VAL A 54 1.554 -2.083 0.004 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -1.080 -3.464 -0.916 1.00 0.31 H new ATOM 0 HG22 VAL A 54 0.521 -4.224 -1.076 1.00 0.31 H new ATOM 0 HG23 VAL A 54 -0.778 -5.062 -0.195 1.00 0.31 H new ATOM 815 N GLU A 55 0.622 -3.903 3.975 1.00 0.50 N ATOM 816 CA GLU A 55 0.762 -3.573 5.378 1.00 0.52 C ATOM 817 C GLU A 55 2.064 -4.178 5.909 1.00 0.43 C ATOM 818 O GLU A 55 2.873 -3.477 6.515 1.00 0.39 O ATOM 819 CB GLU A 55 -0.489 -4.115 6.083 1.00 0.65 C ATOM 820 CG GLU A 55 -0.713 -3.566 7.489 1.00 0.63 C ATOM 821 CD GLU A 55 -2.067 -4.015 8.033 1.00 1.91 C ATOM 822 OE1 GLU A 55 -2.502 -5.128 7.651 1.00 2.66 O ATOM 823 OE2 GLU A 55 -2.651 -3.225 8.803 1.00 2.80 O ATOM 0 H GLU A 55 -0.276 -4.344 3.778 1.00 0.50 H new ATOM 0 HA GLU A 55 0.829 -2.500 5.557 1.00 0.52 H new ATOM 0 HB2 GLU A 55 -1.363 -3.884 5.473 1.00 0.65 H new ATOM 0 HB3 GLU A 55 -0.417 -5.201 6.138 1.00 0.65 H new ATOM 0 HG2 GLU A 55 0.082 -3.910 8.150 1.00 0.63 H new ATOM 0 HG3 GLU A 55 -0.665 -2.477 7.472 1.00 0.63 H new ATOM 830 N GLN A 56 2.295 -5.467 5.626 1.00 0.44 N ATOM 831 CA GLN A 56 3.514 -6.164 5.991 1.00 0.43 C ATOM 832 C GLN A 56 4.744 -5.396 5.494 1.00 0.40 C ATOM 833 O GLN A 56 5.625 -5.091 6.290 1.00 0.44 O ATOM 834 CB GLN A 56 3.455 -7.602 5.454 1.00 0.50 C ATOM 835 CG GLN A 56 4.455 -8.532 6.144 1.00 0.53 C ATOM 836 CD GLN A 56 4.051 -8.927 7.564 1.00 2.34 C ATOM 837 OE1 GLN A 56 3.038 -8.485 8.094 1.00 4.02 O ATOM 838 NE2 GLN A 56 4.841 -9.787 8.201 1.00 2.77 N ATOM 0 H GLN A 56 1.625 -6.054 5.130 1.00 0.44 H new ATOM 0 HA GLN A 56 3.603 -6.217 7.076 1.00 0.43 H new ATOM 0 HB2 GLN A 56 2.447 -7.995 5.589 1.00 0.50 H new ATOM 0 HB3 GLN A 56 3.653 -7.594 4.382 1.00 0.50 H new ATOM 0 HG2 GLN A 56 4.571 -9.435 5.545 1.00 0.53 H new ATOM 0 HG3 GLN A 56 5.429 -8.044 6.176 1.00 0.53 H new ATOM 0 HE21 GLN A 56 5.680 -10.144 7.744 1.00 2.77 H new ATOM 0 HE22 GLN A 56 4.608 -10.089 9.147 1.00 2.77 H new ATOM 847 N ALA A 57 4.810 -5.035 4.205 1.00 0.42 N ATOM 848 CA ALA A 57 5.867 -4.167 3.711 1.00 0.48 C ATOM 849 C ALA A 57 5.926 -2.869 4.525 1.00 0.44 C ATOM 850 O ALA A 57 6.988 -2.478 5.011 1.00 0.51 O ATOM 851 CB ALA A 57 5.633 -3.891 2.225 1.00 0.60 C ATOM 0 H ALA A 57 4.142 -5.334 3.494 1.00 0.42 H new ATOM 0 HA ALA A 57 6.832 -4.660 3.827 1.00 0.48 H new ATOM 0 HB1 ALA A 57 6.422 -3.241 1.847 1.00 0.60 H new ATOM 0 HB2 ALA A 57 5.643 -4.832 1.674 1.00 0.60 H new ATOM 0 HB3 ALA A 57 4.667 -3.404 2.093 1.00 0.60 H new ATOM 857 N GLY A 58 4.771 -2.226 4.709 1.00 0.36 N ATOM 858 CA GLY A 58 4.610 -0.994 5.466 1.00 0.36 C ATOM 859 C GLY A 58 5.144 -1.070 6.896 1.00 0.39 C ATOM 860 O GLY A 58 5.330 -0.028 7.527 1.00 0.46 O ATOM 0 H GLY A 58 3.892 -2.566 4.318 1.00 0.36 H new ATOM 0 HA2 GLY A 58 5.121 -0.187 4.941 1.00 0.36 H new ATOM 0 HA3 GLY A 58 3.552 -0.734 5.497 1.00 0.36 H new ATOM 864 N ALA A 59 5.436 -2.273 7.407 1.00 0.40 N ATOM 865 CA ALA A 59 6.219 -2.446 8.621 1.00 0.43 C ATOM 866 C ALA A 59 7.435 -1.520 8.642 1.00 0.56 C ATOM 867 O ALA A 59 7.789 -1.054 9.721 1.00 0.72 O ATOM 868 CB ALA A 59 6.661 -3.902 8.785 1.00 0.48 C ATOM 0 H ALA A 59 5.132 -3.150 6.984 1.00 0.40 H new ATOM 0 HA ALA A 59 5.577 -2.179 9.460 1.00 0.43 H new ATOM 0 HB1 ALA A 59 7.245 -4.004 9.700 1.00 0.48 H new ATOM 0 HB2 ALA A 59 5.783 -4.545 8.841 1.00 0.48 H new ATOM 0 HB3 ALA A 59 7.271 -4.195 7.931 1.00 0.48 H new ATOM 874 N PHE A 60 8.040 -1.210 7.483 1.00 0.54 N ATOM 875 CA PHE A 60 9.168 -0.283 7.414 1.00 0.61 C ATOM 876 C PHE A 60 8.927 1.038 8.161 1.00 0.62 C ATOM 877 O PHE A 60 9.866 1.561 8.751 1.00 0.68 O ATOM 878 CB PHE A 60 9.661 -0.062 5.969 1.00 0.65 C ATOM 879 CG PHE A 60 8.705 0.584 4.973 1.00 0.56 C ATOM 880 CD1 PHE A 60 8.384 1.950 5.075 1.00 1.90 C ATOM 881 CD2 PHE A 60 8.284 -0.128 3.834 1.00 1.60 C ATOM 882 CE1 PHE A 60 7.510 2.550 4.153 1.00 1.86 C ATOM 883 CE2 PHE A 60 7.427 0.475 2.897 1.00 1.70 C ATOM 884 CZ PHE A 60 7.018 1.808 3.067 1.00 0.70 C ATOM 0 H PHE A 60 7.760 -1.593 6.580 1.00 0.54 H new ATOM 0 HA PHE A 60 9.979 -0.774 7.951 1.00 0.61 H new ATOM 0 HB2 PHE A 60 10.560 0.553 6.014 1.00 0.65 H new ATOM 0 HB3 PHE A 60 9.957 -1.031 5.566 1.00 0.65 H new ATOM 0 HD1 PHE A 60 8.813 2.543 5.869 1.00 1.90 H new ATOM 0 HD2 PHE A 60 8.621 -1.142 3.679 1.00 1.60 H new ATOM 0 HE1 PHE A 60 7.217 3.582 4.279 1.00 1.86 H new ATOM 0 HE2 PHE A 60 7.082 -0.089 2.043 1.00 1.70 H new ATOM 0 HZ PHE A 60 6.330 2.259 2.367 1.00 0.70 H new ATOM 894 N GLU A 61 7.698 1.571 8.127 1.00 0.57 N ATOM 895 CA GLU A 61 7.308 2.790 8.842 1.00 0.59 C ATOM 896 C GLU A 61 6.085 2.539 9.739 1.00 0.56 C ATOM 897 O GLU A 61 5.486 3.480 10.252 1.00 0.84 O ATOM 898 CB GLU A 61 7.067 3.918 7.825 1.00 0.66 C ATOM 899 CG GLU A 61 8.362 4.657 7.444 1.00 0.92 C ATOM 900 CD GLU A 61 8.637 5.848 8.357 1.00 1.48 C ATOM 901 OE1 GLU A 61 7.777 6.754 8.370 1.00 2.42 O ATOM 902 OE2 GLU A 61 9.709 5.841 8.996 1.00 2.84 O ATOM 0 H GLU A 61 6.934 1.158 7.591 1.00 0.57 H new ATOM 0 HA GLU A 61 8.115 3.097 9.507 1.00 0.59 H new ATOM 0 HB2 GLU A 61 6.613 3.501 6.926 1.00 0.66 H new ATOM 0 HB3 GLU A 61 6.355 4.631 8.240 1.00 0.66 H new ATOM 0 HG2 GLU A 61 9.201 3.963 7.492 1.00 0.92 H new ATOM 0 HG3 GLU A 61 8.292 5.001 6.412 1.00 0.92 H new ATOM 909 N HIS A 62 5.716 1.269 9.944 1.00 0.40 N ATOM 910 CA HIS A 62 4.655 0.847 10.849 1.00 0.36 C ATOM 911 C HIS A 62 3.316 1.451 10.422 1.00 0.33 C ATOM 912 O HIS A 62 2.584 2.012 11.237 1.00 0.53 O ATOM 913 CB HIS A 62 5.022 1.191 12.302 1.00 0.48 C ATOM 914 CG HIS A 62 6.438 0.842 12.690 1.00 0.61 C ATOM 915 ND1 HIS A 62 7.173 -0.230 12.233 1.00 0.64 N ATOM 916 CD2 HIS A 62 7.270 1.602 13.468 1.00 0.97 C ATOM 917 CE1 HIS A 62 8.409 -0.125 12.745 1.00 0.88 C ATOM 918 NE2 HIS A 62 8.516 0.972 13.512 1.00 1.15 N ATOM 0 H HIS A 62 6.165 0.487 9.467 1.00 0.40 H new ATOM 0 HA HIS A 62 4.546 -0.236 10.796 1.00 0.36 H new ATOM 0 HB2 HIS A 62 4.869 2.259 12.459 1.00 0.48 H new ATOM 0 HB3 HIS A 62 4.337 0.669 12.970 1.00 0.48 H new ATOM 0 HD1 HIS A 62 6.838 -0.970 11.616 1.00 0.64 H new ATOM 0 HD2 HIS A 62 7.009 2.527 13.961 1.00 0.97 H new ATOM 0 HE1 HIS A 62 9.209 -0.828 12.565 1.00 0.88 H new ATOM 926 N LEU A 63 2.999 1.345 9.128 1.00 0.27 N ATOM 927 CA LEU A 63 1.775 1.935 8.602 1.00 0.37 C ATOM 928 C LEU A 63 0.547 1.256 9.200 1.00 0.42 C ATOM 929 O LEU A 63 0.605 0.085 9.568 1.00 0.64 O ATOM 930 CB LEU A 63 1.753 1.834 7.075 1.00 0.57 C ATOM 931 CG LEU A 63 2.488 3.014 6.433 1.00 0.46 C ATOM 932 CD1 LEU A 63 3.945 3.123 6.881 1.00 2.02 C ATOM 933 CD2 LEU A 63 2.433 2.862 4.916 1.00 2.33 C ATOM 0 H LEU A 63 3.570 0.860 8.435 1.00 0.27 H new ATOM 0 HA LEU A 63 1.751 2.988 8.883 1.00 0.37 H new ATOM 0 HB2 LEU A 63 2.218 0.899 6.763 1.00 0.57 H new ATOM 0 HB3 LEU A 63 0.721 1.810 6.724 1.00 0.57 H new ATOM 0 HG LEU A 63 1.988 3.927 6.755 1.00 0.46 H new ATOM 0 HD11 LEU A 63 4.413 3.978 6.392 1.00 2.02 H new ATOM 0 HD12 LEU A 63 3.984 3.257 7.962 1.00 2.02 H new ATOM 0 HD13 LEU A 63 4.479 2.212 6.608 1.00 2.02 H new ATOM 0 HD21 LEU A 63 2.954 3.697 4.448 1.00 2.33 H new ATOM 0 HD22 LEU A 63 2.913 1.927 4.626 1.00 2.33 H new ATOM 0 HD23 LEU A 63 1.393 2.853 4.589 1.00 2.33 H new ATOM 945 N LYS A 64 -0.569 1.990 9.271 1.00 0.38 N ATOM 946 CA LYS A 64 -1.834 1.464 9.735 1.00 0.45 C ATOM 947 C LYS A 64 -2.835 1.764 8.625 1.00 0.44 C ATOM 948 O LYS A 64 -3.124 2.933 8.364 1.00 0.84 O ATOM 949 CB LYS A 64 -2.151 2.040 11.128 1.00 0.59 C ATOM 950 CG LYS A 64 -2.075 3.569 11.314 1.00 0.63 C ATOM 951 CD LYS A 64 -3.392 4.264 10.927 1.00 1.97 C ATOM 952 CE LYS A 64 -3.891 5.254 11.991 1.00 2.70 C ATOM 953 NZ LYS A 64 -3.241 6.573 11.863 1.00 3.60 N ATOM 0 H LYS A 64 -0.608 2.973 9.003 1.00 0.38 H new ATOM 0 HA LYS A 64 -1.848 0.387 9.902 1.00 0.45 H new ATOM 0 HB2 LYS A 64 -3.157 1.720 11.401 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -1.466 1.582 11.842 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -1.837 3.796 12.353 1.00 0.63 H new ATOM 0 HG3 LYS A 64 -1.263 3.968 10.707 1.00 0.63 H new ATOM 0 HD2 LYS A 64 -3.252 4.794 9.985 1.00 1.97 H new ATOM 0 HD3 LYS A 64 -4.158 3.507 10.757 1.00 1.97 H new ATOM 0 HE2 LYS A 64 -4.971 5.371 11.900 1.00 2.70 H new ATOM 0 HE3 LYS A 64 -3.697 4.848 12.984 1.00 2.70 H new ATOM 0 HZ1 LYS A 64 -3.041 6.955 12.809 1.00 3.60 H new ATOM 0 HZ2 LYS A 64 -2.351 6.471 11.335 1.00 3.60 H new ATOM 0 HZ3 LYS A 64 -3.873 7.223 11.354 1.00 3.60 H new ATOM 967 N ILE A 65 -3.276 0.727 7.903 1.00 0.38 N ATOM 968 CA ILE A 65 -4.193 0.878 6.783 1.00 0.31 C ATOM 969 C ILE A 65 -5.523 0.244 7.160 1.00 0.34 C ATOM 970 O ILE A 65 -5.553 -0.918 7.557 1.00 0.57 O ATOM 971 CB ILE A 65 -3.648 0.277 5.473 1.00 0.32 C ATOM 972 CG1 ILE A 65 -2.123 0.402 5.372 1.00 0.36 C ATOM 973 CG2 ILE A 65 -4.396 0.932 4.306 1.00 0.35 C ATOM 974 CD1 ILE A 65 -1.547 0.065 3.997 1.00 0.52 C ATOM 0 H ILE A 65 -3.003 -0.239 8.085 1.00 0.38 H new ATOM 0 HA ILE A 65 -4.321 1.943 6.587 1.00 0.31 H new ATOM 0 HB ILE A 65 -3.831 -0.797 5.445 1.00 0.32 H new ATOM 0 HG12 ILE A 65 -1.837 1.421 5.631 1.00 0.36 H new ATOM 0 HG13 ILE A 65 -1.668 -0.255 6.113 1.00 0.36 H new ATOM 0 HG21 ILE A 65 -4.029 0.524 3.364 1.00 0.35 H new ATOM 0 HG22 ILE A 65 -5.463 0.729 4.398 1.00 0.35 H new ATOM 0 HG23 ILE A 65 -4.228 2.009 4.325 1.00 0.35 H new ATOM 0 HD11 ILE A 65 -0.463 0.181 4.018 1.00 0.52 H new ATOM 0 HD12 ILE A 65 -1.797 -0.964 3.740 1.00 0.52 H new ATOM 0 HD13 ILE A 65 -1.969 0.738 3.251 1.00 0.52 H new ATOM 986 N ILE A 66 -6.618 0.994 7.042 1.00 0.35 N ATOM 987 CA ILE A 66 -7.943 0.499 7.371 1.00 0.36 C ATOM 988 C ILE A 66 -8.685 0.214 6.060 1.00 0.32 C ATOM 989 O ILE A 66 -8.695 1.072 5.169 1.00 0.30 O ATOM 990 CB ILE A 66 -8.689 1.502 8.272 1.00 0.49 C ATOM 991 CG1 ILE A 66 -7.871 1.829 9.540 1.00 0.59 C ATOM 992 CG2 ILE A 66 -10.039 0.917 8.708 1.00 0.65 C ATOM 993 CD1 ILE A 66 -7.097 3.144 9.415 1.00 1.30 C ATOM 0 H ILE A 66 -6.606 1.960 6.715 1.00 0.35 H new ATOM 0 HA ILE A 66 -7.879 -0.427 7.942 1.00 0.36 H new ATOM 0 HB ILE A 66 -8.838 2.414 7.693 1.00 0.49 H new ATOM 0 HG12 ILE A 66 -8.542 1.886 10.397 1.00 0.59 H new ATOM 0 HG13 ILE A 66 -7.171 1.017 9.737 1.00 0.59 H new ATOM 0 HG21 ILE A 66 -10.558 1.634 9.344 1.00 0.65 H new ATOM 0 HG22 ILE A 66 -10.646 0.708 7.827 1.00 0.65 H new ATOM 0 HG23 ILE A 66 -9.873 -0.007 9.262 1.00 0.65 H new ATOM 0 HD11 ILE A 66 -6.539 3.326 10.333 1.00 1.30 H new ATOM 0 HD12 ILE A 66 -6.404 3.080 8.576 1.00 1.30 H new ATOM 0 HD13 ILE A 66 -7.796 3.963 9.246 1.00 1.30 H new ATOM 1005 N PRO A 67 -9.310 -0.969 5.911 1.00 0.37 N ATOM 1006 CA PRO A 67 -10.276 -1.194 4.855 1.00 0.42 C ATOM 1007 C PRO A 67 -11.485 -0.307 5.130 1.00 0.51 C ATOM 1008 O PRO A 67 -12.275 -0.591 6.031 1.00 0.78 O ATOM 1009 CB PRO A 67 -10.622 -2.685 4.910 1.00 0.53 C ATOM 1010 CG PRO A 67 -10.372 -3.063 6.369 1.00 0.54 C ATOM 1011 CD PRO A 67 -9.244 -2.124 6.800 1.00 0.46 C ATOM 0 HA PRO A 67 -9.905 -0.945 3.861 1.00 0.42 H new ATOM 0 HB2 PRO A 67 -11.657 -2.866 4.621 1.00 0.53 H new ATOM 0 HB3 PRO A 67 -9.996 -3.266 4.233 1.00 0.53 H new ATOM 0 HG2 PRO A 67 -11.265 -2.922 6.978 1.00 0.54 H new ATOM 0 HG3 PRO A 67 -10.082 -4.109 6.467 1.00 0.54 H new ATOM 0 HD2 PRO A 67 -9.366 -1.822 7.840 1.00 0.46 H new ATOM 0 HD3 PRO A 67 -8.276 -2.619 6.723 1.00 0.46 H new ATOM 1019 N GLU A 68 -11.609 0.776 4.359 1.00 0.49 N ATOM 1020 CA GLU A 68 -12.795 1.613 4.383 1.00 0.63 C ATOM 1021 C GLU A 68 -14.057 0.786 4.174 1.00 1.04 C ATOM 1022 O GLU A 68 -14.015 -0.321 3.631 1.00 2.14 O ATOM 1023 CB GLU A 68 -12.702 2.716 3.317 1.00 0.91 C ATOM 1024 CG GLU A 68 -12.251 4.028 3.960 1.00 2.05 C ATOM 1025 CD GLU A 68 -13.359 4.706 4.762 1.00 3.36 C ATOM 1026 OE1 GLU A 68 -14.330 3.999 5.122 1.00 4.38 O ATOM 1027 OE2 GLU A 68 -13.188 5.926 4.986 1.00 4.41 O ATOM 0 H GLU A 68 -10.891 1.090 3.707 1.00 0.49 H new ATOM 0 HA GLU A 68 -12.852 2.079 5.367 1.00 0.63 H new ATOM 0 HB2 GLU A 68 -11.998 2.422 2.538 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -13.671 2.851 2.836 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -11.402 3.833 4.615 1.00 2.05 H new ATOM 0 HG3 GLU A 68 -11.904 4.708 3.182 1.00 2.05 H new ATOM 1034 N LYS A 69 -15.187 1.328 4.621 1.00 1.66 N ATOM 1035 CA LYS A 69 -16.441 0.605 4.500 1.00 2.09 C ATOM 1036 C LYS A 69 -16.889 0.568 3.034 1.00 2.39 C ATOM 1037 O LYS A 69 -16.569 1.467 2.254 1.00 3.31 O ATOM 1038 CB LYS A 69 -17.491 1.166 5.477 1.00 3.38 C ATOM 1039 CG LYS A 69 -18.332 0.045 6.109 1.00 4.11 C ATOM 1040 CD LYS A 69 -17.510 -0.786 7.117 1.00 4.51 C ATOM 1041 CE LYS A 69 -17.938 -2.263 7.103 1.00 4.99 C ATOM 1042 NZ LYS A 69 -16.998 -3.120 7.857 1.00 6.10 N ATOM 0 H LYS A 69 -15.257 2.246 5.061 1.00 1.66 H new ATOM 0 HA LYS A 69 -16.304 -0.435 4.796 1.00 2.09 H new ATOM 0 HB2 LYS A 69 -16.992 1.734 6.262 1.00 3.38 H new ATOM 0 HB3 LYS A 69 -18.146 1.860 4.949 1.00 3.38 H new ATOM 0 HG2 LYS A 69 -19.196 0.478 6.613 1.00 4.11 H new ATOM 0 HG3 LYS A 69 -18.715 -0.609 5.325 1.00 4.11 H new ATOM 0 HD2 LYS A 69 -16.450 -0.710 6.875 1.00 4.51 H new ATOM 0 HD3 LYS A 69 -17.639 -0.377 8.119 1.00 4.51 H new ATOM 0 HE2 LYS A 69 -18.936 -2.355 7.532 1.00 4.99 H new ATOM 0 HE3 LYS A 69 -18.000 -2.613 6.072 1.00 4.99 H new ATOM 0 HZ1 LYS A 69 -17.324 -4.107 7.822 1.00 6.10 H new ATOM 0 HZ2 LYS A 69 -16.051 -3.053 7.433 1.00 6.10 H new ATOM 0 HZ3 LYS A 69 -16.957 -2.804 8.847 1.00 6.10 H new ATOM 1056 N GLU A 70 -17.582 -0.510 2.651 1.00 3.18 N ATOM 1057 CA GLU A 70 -18.068 -0.724 1.297 1.00 4.62 C ATOM 1058 C GLU A 70 -19.177 0.277 0.962 1.00 5.09 C ATOM 1059 O GLU A 70 -20.356 -0.078 0.988 1.00 5.65 O ATOM 1060 CB GLU A 70 -18.551 -2.177 1.145 1.00 5.81 C ATOM 1061 CG GLU A 70 -17.388 -3.177 1.038 1.00 7.23 C ATOM 1062 CD GLU A 70 -16.903 -3.349 -0.401 1.00 8.11 C ATOM 1063 OE1 GLU A 70 -16.765 -2.316 -1.091 1.00 8.34 O ATOM 1064 OE2 GLU A 70 -16.689 -4.518 -0.785 1.00 9.01 O ATOM 0 H GLU A 70 -17.822 -1.268 3.290 1.00 3.18 H new ATOM 0 HA GLU A 70 -17.256 -0.559 0.589 1.00 4.62 H new ATOM 0 HB2 GLU A 70 -19.175 -2.440 1.999 1.00 5.81 H new ATOM 0 HB3 GLU A 70 -19.177 -2.257 0.257 1.00 5.81 H new ATOM 0 HG2 GLU A 70 -16.560 -2.836 1.660 1.00 7.23 H new ATOM 0 HG3 GLU A 70 -17.705 -4.143 1.430 1.00 7.23 H new ATOM 1071 N ALA A 71 -18.765 1.500 0.623 1.00 5.72 N ATOM 1072 CA ALA A 71 -19.603 2.639 0.273 1.00 6.97 C ATOM 1073 C ALA A 71 -20.230 3.277 1.517 1.00 7.30 C ATOM 1074 O ALA A 71 -19.923 2.812 2.638 1.00 7.28 O ATOM 1075 CB ALA A 71 -20.646 2.271 -0.790 1.00 7.99 C ATOM 1076 OXT ALA A 71 -20.993 4.249 1.319 1.00 8.08 O ATOM 0 H ALA A 71 -17.772 1.732 0.584 1.00 5.72 H new ATOM 0 HA ALA A 71 -18.960 3.396 -0.176 1.00 6.97 H new ATOM 0 HB1 ALA A 71 -21.251 3.147 -1.024 1.00 7.99 H new ATOM 0 HB2 ALA A 71 -20.140 1.928 -1.692 1.00 7.99 H new ATOM 0 HB3 ALA A 71 -21.289 1.477 -0.410 1.00 7.99 H new TER 1082 ALA A 71