USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 595 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 15 CYS SG : rot 180:sc= 0.163 USER MOD Set 1.2: A 17 SER OG : rot 91:sc= 0.716 USER MOD Single : A 1 MET CE :methyl -170:sc=-0.00405 (180deg=-0.145) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.133 (180deg=-2.96!) USER MOD Single : A 13 MET CE :methyl 173:sc= -0.133 (180deg=-0.238) USER MOD Single : A 14 THR OG1 : rot -34:sc= 0.692 USER MOD Single : A 18 CYS SG : rot 84:sc= 0.0854 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.254 F(o=-1.3,f=-0.25) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -82:sc= 1.22 USER MOD Single : A 25 SER OG : rot -31:sc= -0.166 USER MOD Single : A 27 THR OG1 : rot -111:sc= 1.34 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.692 K(o=-0.69,f=-6.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -90:sc= -0.185 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -30:sc= 0.69 USER MOD Single : A 42 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 0.897 (180deg=-2.27!) USER MOD Single : A 45 HIS : no HE2:sc= -1.4 X(o=-1.4,f=-0.9) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.553) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.911 K(o=0.91,f=-10!) USER MOD Single : A 61 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -72:sc= 0.949 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.528 -15.802 3.077 1.00 4.28 N ATOM 2 CA MET A 1 11.908 -14.483 3.612 1.00 3.53 C ATOM 3 C MET A 1 10.790 -13.977 4.521 1.00 3.04 C ATOM 4 O MET A 1 11.026 -13.695 5.691 1.00 3.64 O ATOM 5 CB MET A 1 12.196 -13.462 2.502 1.00 4.32 C ATOM 6 CG MET A 1 13.442 -13.822 1.679 1.00 5.14 C ATOM 7 SD MET A 1 13.871 -12.651 0.365 1.00 6.86 S ATOM 8 CE MET A 1 12.443 -12.825 -0.729 1.00 8.39 C ATOM 0 H1 MET A 1 11.997 -15.954 2.161 1.00 4.28 H new ATOM 0 H2 MET A 1 11.821 -16.545 3.744 1.00 4.28 H new ATOM 0 H3 MET A 1 10.497 -15.840 2.948 1.00 4.28 H new ATOM 0 HA MET A 1 12.833 -14.599 4.178 1.00 3.53 H new ATOM 0 HB2 MET A 1 11.333 -13.398 1.839 1.00 4.32 H new ATOM 0 HB3 MET A 1 12.331 -12.476 2.946 1.00 4.32 H new ATOM 0 HG2 MET A 1 14.291 -13.909 2.357 1.00 5.14 H new ATOM 0 HG3 MET A 1 13.290 -14.804 1.232 1.00 5.14 H new ATOM 0 HE1 MET A 1 12.638 -12.305 -1.667 1.00 8.39 H new ATOM 0 HE2 MET A 1 12.265 -13.881 -0.930 1.00 8.39 H new ATOM 0 HE3 MET A 1 11.564 -12.393 -0.251 1.00 8.39 H new ATOM 20 N GLY A 2 9.566 -13.918 3.990 1.00 3.14 N ATOM 21 CA GLY A 2 8.378 -13.609 4.768 1.00 3.65 C ATOM 22 C GLY A 2 8.319 -12.148 5.216 1.00 3.11 C ATOM 23 O GLY A 2 7.897 -11.875 6.337 1.00 4.26 O ATOM 0 H GLY A 2 9.377 -14.085 3.002 1.00 3.14 H new ATOM 0 HA2 GLY A 2 7.493 -13.837 4.175 1.00 3.65 H new ATOM 0 HA3 GLY A 2 8.348 -14.254 5.646 1.00 3.65 H new ATOM 27 N ASP A 3 8.736 -11.233 4.331 1.00 2.22 N ATOM 28 CA ASP A 3 8.391 -9.812 4.277 1.00 1.98 C ATOM 29 C ASP A 3 9.055 -9.251 3.013 1.00 1.73 C ATOM 30 O ASP A 3 9.917 -9.912 2.429 1.00 2.29 O ATOM 31 CB ASP A 3 8.806 -9.019 5.529 1.00 2.45 C ATOM 32 CG ASP A 3 8.190 -7.619 5.644 1.00 3.60 C ATOM 33 OD1 ASP A 3 7.506 -7.145 4.706 1.00 4.80 O ATOM 34 OD2 ASP A 3 8.418 -7.003 6.707 1.00 4.06 O ATOM 0 H ASP A 3 9.373 -11.490 3.577 1.00 2.22 H new ATOM 0 HA ASP A 3 7.306 -9.708 4.246 1.00 1.98 H new ATOM 0 HB2 ASP A 3 8.530 -9.594 6.413 1.00 2.45 H new ATOM 0 HB3 ASP A 3 9.892 -8.923 5.537 1.00 2.45 H new ATOM 39 N GLY A 4 8.668 -8.046 2.605 1.00 1.72 N ATOM 40 CA GLY A 4 9.322 -7.229 1.596 1.00 2.01 C ATOM 41 C GLY A 4 9.376 -5.724 1.917 1.00 1.92 C ATOM 42 O GLY A 4 10.039 -5.011 1.167 1.00 3.72 O ATOM 0 H GLY A 4 7.842 -7.591 2.994 1.00 1.72 H new ATOM 0 HA2 GLY A 4 10.340 -7.593 1.458 1.00 2.01 H new ATOM 0 HA3 GLY A 4 8.804 -7.365 0.647 1.00 2.01 H new ATOM 46 N VAL A 5 8.706 -5.227 2.976 1.00 1.05 N ATOM 47 CA VAL A 5 8.580 -3.799 3.315 1.00 0.82 C ATOM 48 C VAL A 5 8.581 -2.874 2.086 1.00 0.87 C ATOM 49 O VAL A 5 9.523 -2.115 1.851 1.00 1.46 O ATOM 50 CB VAL A 5 9.617 -3.358 4.370 1.00 1.26 C ATOM 51 CG1 VAL A 5 9.223 -2.001 4.981 1.00 1.91 C ATOM 52 CG2 VAL A 5 9.688 -4.373 5.513 1.00 2.11 C ATOM 0 H VAL A 5 8.222 -5.831 3.640 1.00 1.05 H new ATOM 0 HA VAL A 5 7.593 -3.692 3.765 1.00 0.82 H new ATOM 0 HB VAL A 5 10.581 -3.284 3.866 1.00 1.26 H new ATOM 0 HG11 VAL A 5 9.966 -1.706 5.722 1.00 1.91 H new ATOM 0 HG12 VAL A 5 9.177 -1.248 4.195 1.00 1.91 H new ATOM 0 HG13 VAL A 5 8.247 -2.087 5.459 1.00 1.91 H new ATOM 0 HG21 VAL A 5 10.424 -4.044 6.246 1.00 2.11 H new ATOM 0 HG22 VAL A 5 8.711 -4.452 5.990 1.00 2.11 H new ATOM 0 HG23 VAL A 5 9.979 -5.346 5.118 1.00 2.11 H new ATOM 62 N LEU A 6 7.504 -2.914 1.302 1.00 0.71 N ATOM 63 CA LEU A 6 7.370 -2.077 0.122 1.00 0.79 C ATOM 64 C LEU A 6 6.787 -0.740 0.576 1.00 0.66 C ATOM 65 O LEU A 6 5.593 -0.656 0.860 1.00 0.94 O ATOM 66 CB LEU A 6 6.499 -2.797 -0.925 1.00 1.03 C ATOM 67 CG LEU A 6 6.619 -2.307 -2.378 1.00 1.20 C ATOM 68 CD1 LEU A 6 6.344 -0.812 -2.536 1.00 2.31 C ATOM 69 CD2 LEU A 6 7.981 -2.654 -2.994 1.00 1.88 C ATOM 0 H LEU A 6 6.706 -3.527 1.470 1.00 0.71 H new ATOM 0 HA LEU A 6 8.329 -1.888 -0.360 1.00 0.79 H new ATOM 0 HB2 LEU A 6 6.747 -3.858 -0.902 1.00 1.03 H new ATOM 0 HB3 LEU A 6 5.456 -2.707 -0.620 1.00 1.03 H new ATOM 0 HG LEU A 6 5.841 -2.843 -2.922 1.00 1.20 H new ATOM 0 HD11 LEU A 6 6.445 -0.532 -3.585 1.00 2.31 H new ATOM 0 HD12 LEU A 6 5.332 -0.590 -2.198 1.00 2.31 H new ATOM 0 HD13 LEU A 6 7.058 -0.246 -1.939 1.00 2.31 H new ATOM 0 HD21 LEU A 6 8.020 -2.289 -4.020 1.00 1.88 H new ATOM 0 HD22 LEU A 6 8.774 -2.185 -2.411 1.00 1.88 H new ATOM 0 HD23 LEU A 6 8.118 -3.735 -2.989 1.00 1.88 H new ATOM 81 N GLU A 7 7.624 0.302 0.654 1.00 0.55 N ATOM 82 CA GLU A 7 7.152 1.673 0.711 1.00 0.60 C ATOM 83 C GLU A 7 6.903 2.139 -0.714 1.00 0.69 C ATOM 84 O GLU A 7 7.857 2.253 -1.487 1.00 0.96 O ATOM 85 CB GLU A 7 8.193 2.597 1.341 1.00 0.74 C ATOM 86 CG GLU A 7 8.416 2.371 2.835 1.00 0.68 C ATOM 87 CD GLU A 7 8.982 3.633 3.474 1.00 1.09 C ATOM 88 OE1 GLU A 7 9.706 4.372 2.769 1.00 2.13 O ATOM 89 OE2 GLU A 7 8.526 4.014 4.575 1.00 2.05 O ATOM 0 H GLU A 7 8.640 0.210 0.679 1.00 0.55 H new ATOM 0 HA GLU A 7 6.247 1.709 1.317 1.00 0.60 H new ATOM 0 HB2 GLU A 7 9.141 2.464 0.820 1.00 0.74 H new ATOM 0 HB3 GLU A 7 7.885 3.631 1.184 1.00 0.74 H new ATOM 0 HG2 GLU A 7 7.475 2.101 3.315 1.00 0.68 H new ATOM 0 HG3 GLU A 7 9.102 1.538 2.987 1.00 0.68 H new ATOM 96 N LEU A 8 5.651 2.446 -1.045 1.00 0.63 N ATOM 97 CA LEU A 8 5.319 3.207 -2.236 1.00 0.67 C ATOM 98 C LEU A 8 4.685 4.524 -1.790 1.00 0.67 C ATOM 99 O LEU A 8 4.254 4.648 -0.642 1.00 0.94 O ATOM 100 CB LEU A 8 4.470 2.362 -3.207 1.00 0.73 C ATOM 101 CG LEU A 8 3.119 1.866 -2.661 1.00 0.71 C ATOM 102 CD1 LEU A 8 2.048 2.954 -2.787 1.00 1.86 C ATOM 103 CD2 LEU A 8 2.662 0.642 -3.462 1.00 1.56 C ATOM 0 H LEU A 8 4.840 2.171 -0.491 1.00 0.63 H new ATOM 0 HA LEU A 8 6.206 3.460 -2.817 1.00 0.67 H new ATOM 0 HB2 LEU A 8 4.283 2.953 -4.104 1.00 0.73 H new ATOM 0 HB3 LEU A 8 5.057 1.496 -3.513 1.00 0.73 H new ATOM 0 HG LEU A 8 3.250 1.610 -1.610 1.00 0.71 H new ATOM 0 HD11 LEU A 8 1.102 2.581 -2.395 1.00 1.86 H new ATOM 0 HD12 LEU A 8 2.354 3.833 -2.220 1.00 1.86 H new ATOM 0 HD13 LEU A 8 1.925 3.224 -3.836 1.00 1.86 H new ATOM 0 HD21 LEU A 8 1.705 0.291 -3.075 1.00 1.56 H new ATOM 0 HD22 LEU A 8 2.551 0.915 -4.512 1.00 1.56 H new ATOM 0 HD23 LEU A 8 3.404 -0.151 -3.370 1.00 1.56 H new ATOM 115 N VAL A 9 4.650 5.518 -2.674 1.00 0.57 N ATOM 116 CA VAL A 9 3.933 6.765 -2.462 1.00 0.58 C ATOM 117 C VAL A 9 2.780 6.790 -3.451 1.00 0.64 C ATOM 118 O VAL A 9 2.889 6.234 -4.542 1.00 0.76 O ATOM 119 CB VAL A 9 4.885 7.964 -2.583 1.00 0.71 C ATOM 120 CG1 VAL A 9 4.172 9.305 -2.804 1.00 0.92 C ATOM 121 CG2 VAL A 9 5.714 8.071 -1.297 1.00 0.94 C ATOM 0 H VAL A 9 5.129 5.475 -3.573 1.00 0.57 H new ATOM 0 HA VAL A 9 3.525 6.835 -1.454 1.00 0.58 H new ATOM 0 HB VAL A 9 5.503 7.779 -3.462 1.00 0.71 H new ATOM 0 HG11 VAL A 9 4.912 10.102 -2.879 1.00 0.92 H new ATOM 0 HG12 VAL A 9 3.591 9.261 -3.725 1.00 0.92 H new ATOM 0 HG13 VAL A 9 3.506 9.506 -1.965 1.00 0.92 H new ATOM 0 HG21 VAL A 9 6.394 8.920 -1.372 1.00 0.94 H new ATOM 0 HG22 VAL A 9 5.048 8.214 -0.446 1.00 0.94 H new ATOM 0 HG23 VAL A 9 6.290 7.156 -1.158 1.00 0.94 H new ATOM 131 N VAL A 10 1.667 7.382 -3.027 1.00 0.73 N ATOM 132 CA VAL A 10 0.432 7.452 -3.781 1.00 0.92 C ATOM 133 C VAL A 10 0.064 8.926 -3.976 1.00 1.27 C ATOM 134 O VAL A 10 0.800 9.823 -3.568 1.00 2.57 O ATOM 135 CB VAL A 10 -0.682 6.630 -3.084 1.00 1.02 C ATOM 136 CG1 VAL A 10 -1.152 5.501 -4.000 1.00 1.80 C ATOM 137 CG2 VAL A 10 -0.256 5.932 -1.791 1.00 1.13 C ATOM 0 H VAL A 10 1.604 7.840 -2.118 1.00 0.73 H new ATOM 0 HA VAL A 10 0.556 7.003 -4.767 1.00 0.92 H new ATOM 0 HB VAL A 10 -1.449 7.370 -2.857 1.00 1.02 H new ATOM 0 HG11 VAL A 10 -1.935 4.930 -3.501 1.00 1.80 H new ATOM 0 HG12 VAL A 10 -1.545 5.923 -4.925 1.00 1.80 H new ATOM 0 HG13 VAL A 10 -0.313 4.844 -4.228 1.00 1.80 H new ATOM 0 HG21 VAL A 10 -1.102 5.383 -1.378 1.00 1.13 H new ATOM 0 HG22 VAL A 10 0.558 5.238 -2.003 1.00 1.13 H new ATOM 0 HG23 VAL A 10 0.081 6.676 -1.069 1.00 1.13 H new ATOM 147 N ARG A 11 -1.093 9.164 -4.591 1.00 0.81 N ATOM 148 CA ARG A 11 -1.770 10.447 -4.655 1.00 0.84 C ATOM 149 C ARG A 11 -3.236 10.141 -4.360 1.00 0.75 C ATOM 150 O ARG A 11 -3.634 8.977 -4.420 1.00 0.96 O ATOM 151 CB ARG A 11 -1.636 11.049 -6.059 1.00 1.33 C ATOM 152 CG ARG A 11 -0.205 11.476 -6.411 1.00 1.46 C ATOM 153 CD ARG A 11 -0.119 11.634 -7.932 1.00 2.74 C ATOM 154 NE ARG A 11 1.117 12.285 -8.379 1.00 3.01 N ATOM 155 CZ ARG A 11 1.457 12.415 -9.673 1.00 4.03 C ATOM 156 NH1 ARG A 11 0.686 11.903 -10.638 1.00 4.98 N ATOM 157 NH2 ARG A 11 2.580 13.065 -9.999 1.00 4.71 N ATOM 0 H ARG A 11 -1.604 8.429 -5.080 1.00 0.81 H new ATOM 0 HA ARG A 11 -1.348 11.164 -3.951 1.00 0.84 H new ATOM 0 HB2 ARG A 11 -1.979 10.319 -6.792 1.00 1.33 H new ATOM 0 HB3 ARG A 11 -2.294 11.914 -6.138 1.00 1.33 H new ATOM 0 HG2 ARG A 11 0.046 12.414 -5.916 1.00 1.46 H new ATOM 0 HG3 ARG A 11 0.511 10.731 -6.064 1.00 1.46 H new ATOM 0 HD2 ARG A 11 -0.192 10.651 -8.397 1.00 2.74 H new ATOM 0 HD3 ARG A 11 -0.973 12.215 -8.279 1.00 2.74 H new ATOM 0 HE ARG A 11 1.751 12.658 -7.672 1.00 3.01 H new ATOM 0 HH11 ARG A 11 -0.172 11.407 -10.396 1.00 4.98 H new ATOM 0 HH12 ARG A 11 0.956 12.009 -11.616 1.00 4.98 H new ATOM 0 HH21 ARG A 11 3.172 13.458 -9.268 1.00 4.71 H new ATOM 0 HH22 ARG A 11 2.844 13.167 -10.979 1.00 4.71 H new ATOM 171 N GLY A 12 -4.033 11.165 -4.050 1.00 0.85 N ATOM 172 CA GLY A 12 -5.478 11.027 -3.917 1.00 0.99 C ATOM 173 C GLY A 12 -5.925 10.528 -2.541 1.00 0.79 C ATOM 174 O GLY A 12 -7.125 10.417 -2.296 1.00 1.05 O ATOM 0 H GLY A 12 -3.692 12.112 -3.885 1.00 0.85 H new ATOM 0 HA2 GLY A 12 -5.946 11.992 -4.113 1.00 0.99 H new ATOM 0 HA3 GLY A 12 -5.840 10.337 -4.679 1.00 0.99 H new ATOM 178 N MET A 13 -4.994 10.264 -1.617 1.00 0.79 N ATOM 179 CA MET A 13 -5.339 9.940 -0.240 1.00 0.93 C ATOM 180 C MET A 13 -5.795 11.219 0.468 1.00 1.24 C ATOM 181 O MET A 13 -5.061 11.804 1.259 1.00 2.02 O ATOM 182 CB MET A 13 -4.149 9.286 0.470 1.00 1.13 C ATOM 183 CG MET A 13 -3.936 7.829 0.058 1.00 1.21 C ATOM 184 SD MET A 13 -2.381 7.077 0.621 1.00 1.80 S ATOM 185 CE MET A 13 -2.287 7.648 2.331 1.00 1.52 C ATOM 0 H MET A 13 -3.992 10.270 -1.806 1.00 0.79 H new ATOM 0 HA MET A 13 -6.157 9.219 -0.217 1.00 0.93 H new ATOM 0 HB2 MET A 13 -3.245 9.855 0.252 1.00 1.13 H new ATOM 0 HB3 MET A 13 -4.304 9.334 1.548 1.00 1.13 H new ATOM 0 HG2 MET A 13 -4.766 7.236 0.442 1.00 1.21 H new ATOM 0 HG3 MET A 13 -3.976 7.767 -1.030 1.00 1.21 H new ATOM 0 HE1 MET A 13 -1.450 7.162 2.832 1.00 1.52 H new ATOM 0 HE2 MET A 13 -2.141 8.728 2.346 1.00 1.52 H new ATOM 0 HE3 MET A 13 -3.213 7.400 2.849 1.00 1.52 H new ATOM 195 N THR A 14 -7.006 11.673 0.151 1.00 1.04 N ATOM 196 CA THR A 14 -7.483 13.001 0.517 1.00 1.30 C ATOM 197 C THR A 14 -8.162 13.058 1.892 1.00 1.37 C ATOM 198 O THR A 14 -8.644 14.127 2.264 1.00 2.14 O ATOM 199 CB THR A 14 -8.398 13.537 -0.599 1.00 1.59 C ATOM 200 OG1 THR A 14 -8.726 14.889 -0.358 1.00 2.26 O ATOM 201 CG2 THR A 14 -9.693 12.731 -0.757 1.00 1.70 C ATOM 0 H THR A 14 -7.688 11.123 -0.372 1.00 1.04 H new ATOM 0 HA THR A 14 -6.611 13.647 0.615 1.00 1.30 H new ATOM 0 HB THR A 14 -7.834 13.439 -1.526 1.00 1.59 H new ATOM 0 HG1 THR A 14 -8.799 15.041 0.607 1.00 2.26 H new ATOM 0 HG21 THR A 14 -10.293 13.160 -1.559 1.00 1.70 H new ATOM 0 HG22 THR A 14 -9.450 11.696 -0.999 1.00 1.70 H new ATOM 0 HG23 THR A 14 -10.257 12.763 0.175 1.00 1.70 H new ATOM 209 N CYS A 15 -8.265 11.949 2.634 1.00 1.45 N ATOM 210 CA CYS A 15 -9.024 11.920 3.883 1.00 1.63 C ATOM 211 C CYS A 15 -8.683 10.659 4.679 1.00 1.57 C ATOM 212 O CYS A 15 -8.228 9.679 4.092 1.00 2.09 O ATOM 213 CB CYS A 15 -10.527 11.953 3.563 1.00 1.97 C ATOM 214 SG CYS A 15 -11.464 12.263 5.076 1.00 2.97 S ATOM 0 H CYS A 15 -7.830 11.060 2.388 1.00 1.45 H new ATOM 0 HA CYS A 15 -8.762 12.790 4.485 1.00 1.63 H new ATOM 0 HB2 CYS A 15 -10.735 12.731 2.829 1.00 1.97 H new ATOM 0 HB3 CYS A 15 -10.835 11.006 3.120 1.00 1.97 H new ATOM 0 HG CYS A 15 -12.734 12.292 4.801 1.00 2.97 H new ATOM 220 N ALA A 16 -8.932 10.659 5.995 1.00 1.49 N ATOM 221 CA ALA A 16 -8.844 9.486 6.862 1.00 1.52 C ATOM 222 C ALA A 16 -9.561 8.284 6.238 1.00 1.36 C ATOM 223 O ALA A 16 -9.077 7.154 6.299 1.00 2.35 O ATOM 224 CB ALA A 16 -9.444 9.820 8.230 1.00 1.73 C ATOM 0 H ALA A 16 -9.208 11.503 6.497 1.00 1.49 H new ATOM 0 HA ALA A 16 -7.795 9.216 6.984 1.00 1.52 H new ATOM 0 HB1 ALA A 16 -9.380 8.946 8.879 1.00 1.73 H new ATOM 0 HB2 ALA A 16 -8.891 10.646 8.678 1.00 1.73 H new ATOM 0 HB3 ALA A 16 -10.489 10.106 8.109 1.00 1.73 H new ATOM 230 N SER A 17 -10.705 8.535 5.599 1.00 0.57 N ATOM 231 CA SER A 17 -11.420 7.558 4.805 1.00 0.51 C ATOM 232 C SER A 17 -10.462 6.777 3.902 1.00 0.48 C ATOM 233 O SER A 17 -10.474 5.553 3.897 1.00 0.71 O ATOM 234 CB SER A 17 -12.488 8.296 3.991 1.00 0.87 C ATOM 235 OG SER A 17 -13.008 9.357 4.775 1.00 1.71 O ATOM 0 H SER A 17 -11.163 9.446 5.625 1.00 0.57 H new ATOM 0 HA SER A 17 -11.899 6.825 5.454 1.00 0.51 H new ATOM 0 HB2 SER A 17 -12.058 8.685 3.068 1.00 0.87 H new ATOM 0 HB3 SER A 17 -13.286 7.611 3.707 1.00 0.87 H new ATOM 0 HG SER A 17 -12.490 10.172 4.607 1.00 1.71 H new ATOM 241 N CYS A 18 -9.605 7.473 3.153 1.00 0.49 N ATOM 242 CA CYS A 18 -8.682 6.846 2.217 1.00 0.47 C ATOM 243 C CYS A 18 -7.732 5.917 2.965 1.00 0.43 C ATOM 244 O CYS A 18 -7.517 4.784 2.543 1.00 0.47 O ATOM 245 CB CYS A 18 -7.886 7.898 1.438 1.00 0.60 C ATOM 246 SG CYS A 18 -8.988 9.020 0.539 1.00 0.84 S ATOM 0 H CYS A 18 -9.535 8.490 3.182 1.00 0.49 H new ATOM 0 HA CYS A 18 -9.264 6.265 1.502 1.00 0.47 H new ATOM 0 HB2 CYS A 18 -7.263 8.470 2.126 1.00 0.60 H new ATOM 0 HB3 CYS A 18 -7.215 7.404 0.736 1.00 0.60 H new ATOM 0 HG CYS A 18 -9.385 9.968 1.335 1.00 0.84 H new ATOM 252 N VAL A 19 -7.185 6.388 4.089 1.00 0.44 N ATOM 253 CA VAL A 19 -6.322 5.603 4.956 1.00 0.46 C ATOM 254 C VAL A 19 -6.987 4.262 5.230 1.00 0.44 C ATOM 255 O VAL A 19 -6.448 3.216 4.869 1.00 0.52 O ATOM 256 CB VAL A 19 -6.008 6.353 6.267 1.00 0.55 C ATOM 257 CG1 VAL A 19 -4.982 5.611 7.129 1.00 0.68 C ATOM 258 CG2 VAL A 19 -5.500 7.763 5.975 1.00 0.58 C ATOM 0 H VAL A 19 -7.336 7.340 4.421 1.00 0.44 H new ATOM 0 HA VAL A 19 -5.368 5.436 4.456 1.00 0.46 H new ATOM 0 HB VAL A 19 -6.942 6.408 6.826 1.00 0.55 H new ATOM 0 HG11 VAL A 19 -4.794 6.178 8.040 1.00 0.68 H new ATOM 0 HG12 VAL A 19 -5.369 4.626 7.388 1.00 0.68 H new ATOM 0 HG13 VAL A 19 -4.051 5.500 6.572 1.00 0.68 H new ATOM 0 HG21 VAL A 19 -5.285 8.274 6.914 1.00 0.58 H new ATOM 0 HG22 VAL A 19 -4.591 7.706 5.376 1.00 0.58 H new ATOM 0 HG23 VAL A 19 -6.261 8.318 5.426 1.00 0.58 H new ATOM 268 N HIS A 20 -8.181 4.298 5.830 1.00 0.47 N ATOM 269 CA HIS A 20 -8.870 3.084 6.210 1.00 0.59 C ATOM 270 C HIS A 20 -9.229 2.261 4.964 1.00 0.54 C ATOM 271 O HIS A 20 -9.204 1.035 5.013 1.00 0.61 O ATOM 272 CB HIS A 20 -10.018 3.431 7.177 1.00 0.75 C ATOM 273 CG HIS A 20 -11.408 2.991 6.809 1.00 0.78 C ATOM 274 ND1 HIS A 20 -12.052 3.226 5.625 1.00 1.21 N flip ATOM 275 CD2 HIS A 20 -12.340 2.518 7.699 1.00 0.69 C flip ATOM 276 CE1 HIS A 20 -13.392 2.869 5.780 1.00 1.28 C flip ATOM 277 NE2 HIS A 20 -13.512 2.454 7.050 1.00 0.92 N flip ATOM 0 H HIS A 20 -8.681 5.158 6.058 1.00 0.47 H new ATOM 0 HA HIS A 20 -8.229 2.410 6.779 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -9.778 3.000 8.149 1.00 0.75 H new ATOM 0 HB3 HIS A 20 -10.033 4.514 7.303 1.00 0.75 H new ATOM 0 HD2 HIS A 20 -12.163 2.248 8.730 1.00 0.69 H new ATOM 0 HE1 HIS A 20 -14.171 2.917 5.033 1.00 1.28 H new ATOM 0 HE2 HIS A 20 -14.384 2.131 7.469 1.00 0.92 H new ATOM 285 N LYS A 21 -9.532 2.919 3.837 1.00 0.49 N ATOM 286 CA LYS A 21 -9.922 2.263 2.594 1.00 0.55 C ATOM 287 C LYS A 21 -8.791 1.362 2.147 1.00 0.58 C ATOM 288 O LYS A 21 -9.008 0.224 1.739 1.00 0.77 O ATOM 289 CB LYS A 21 -10.209 3.311 1.503 1.00 0.57 C ATOM 290 CG LYS A 21 -11.118 2.825 0.363 1.00 0.88 C ATOM 291 CD LYS A 21 -10.317 2.210 -0.795 1.00 1.39 C ATOM 292 CE LYS A 21 -11.194 1.934 -2.025 1.00 1.80 C ATOM 293 NZ LYS A 21 -12.174 0.852 -1.795 1.00 2.82 N ATOM 0 H LYS A 21 -9.511 3.936 3.768 1.00 0.49 H new ATOM 0 HA LYS A 21 -10.827 1.678 2.760 1.00 0.55 H new ATOM 0 HB2 LYS A 21 -10.669 4.183 1.969 1.00 0.57 H new ATOM 0 HB3 LYS A 21 -9.261 3.640 1.077 1.00 0.57 H new ATOM 0 HG2 LYS A 21 -11.820 2.086 0.750 1.00 0.88 H new ATOM 0 HG3 LYS A 21 -11.709 3.661 -0.010 1.00 0.88 H new ATOM 0 HD2 LYS A 21 -9.507 2.884 -1.073 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -9.857 1.279 -0.463 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -11.724 2.846 -2.301 1.00 1.80 H new ATOM 0 HE3 LYS A 21 -10.557 1.668 -2.868 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 -12.739 0.707 -2.656 1.00 2.82 H new ATOM 0 HZ2 LYS A 21 -11.671 -0.027 -1.559 1.00 2.82 H new ATOM 0 HZ3 LYS A 21 -12.802 1.114 -1.008 1.00 2.82 H new ATOM 307 N ILE A 22 -7.578 1.905 2.205 1.00 0.43 N ATOM 308 CA ILE A 22 -6.401 1.191 1.784 1.00 0.41 C ATOM 309 C ILE A 22 -6.169 0.109 2.822 1.00 0.47 C ATOM 310 O ILE A 22 -6.247 -1.073 2.499 1.00 0.57 O ATOM 311 CB ILE A 22 -5.201 2.142 1.626 1.00 0.42 C ATOM 312 CG1 ILE A 22 -5.479 3.188 0.548 1.00 0.35 C ATOM 313 CG2 ILE A 22 -4.013 1.308 1.165 1.00 0.55 C ATOM 314 CD1 ILE A 22 -4.525 4.384 0.576 1.00 0.58 C ATOM 0 H ILE A 22 -7.395 2.849 2.545 1.00 0.43 H new ATOM 0 HA ILE A 22 -6.530 0.740 0.800 1.00 0.41 H new ATOM 0 HB ILE A 22 -5.011 2.645 2.574 1.00 0.42 H new ATOM 0 HG12 ILE A 22 -5.418 2.711 -0.430 1.00 0.35 H new ATOM 0 HG13 ILE A 22 -6.501 3.549 0.663 1.00 0.35 H new ATOM 0 HG21 ILE A 22 -3.142 1.952 1.042 1.00 0.55 H new ATOM 0 HG22 ILE A 22 -3.796 0.542 1.909 1.00 0.55 H new ATOM 0 HG23 ILE A 22 -4.250 0.833 0.213 1.00 0.55 H new ATOM 0 HD11 ILE A 22 -4.790 5.080 -0.220 1.00 0.58 H new ATOM 0 HD12 ILE A 22 -4.602 4.889 1.539 1.00 0.58 H new ATOM 0 HD13 ILE A 22 -3.502 4.037 0.429 1.00 0.58 H new ATOM 326 N GLU A 23 -5.941 0.539 4.066 1.00 0.46 N ATOM 327 CA GLU A 23 -5.676 -0.306 5.215 1.00 0.55 C ATOM 328 C GLU A 23 -6.513 -1.580 5.152 1.00 0.51 C ATOM 329 O GLU A 23 -5.977 -2.674 4.955 1.00 0.49 O ATOM 330 CB GLU A 23 -5.950 0.508 6.489 1.00 0.77 C ATOM 331 CG GLU A 23 -5.341 -0.148 7.726 1.00 1.63 C ATOM 332 CD GLU A 23 -6.176 -1.335 8.192 1.00 3.52 C ATOM 333 OE1 GLU A 23 -7.280 -1.073 8.712 1.00 4.72 O ATOM 334 OE2 GLU A 23 -5.729 -2.478 7.960 1.00 4.50 O ATOM 0 H GLU A 23 -5.938 1.531 4.301 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.633 -0.624 5.220 1.00 0.55 H new ATOM 0 HB2 GLU A 23 -5.542 1.512 6.373 1.00 0.77 H new ATOM 0 HB3 GLU A 23 -7.026 0.615 6.627 1.00 0.77 H new ATOM 0 HG2 GLU A 23 -4.327 -0.480 7.502 1.00 1.63 H new ATOM 0 HG3 GLU A 23 -5.267 0.585 8.529 1.00 1.63 H new ATOM 341 N SER A 24 -7.834 -1.407 5.232 1.00 0.54 N ATOM 342 CA SER A 24 -8.763 -2.521 5.328 1.00 0.59 C ATOM 343 C SER A 24 -8.599 -3.440 4.123 1.00 0.54 C ATOM 344 O SER A 24 -8.611 -4.661 4.247 1.00 0.66 O ATOM 345 CB SER A 24 -10.203 -2.011 5.464 1.00 0.75 C ATOM 346 OG SER A 24 -10.582 -1.223 4.352 1.00 2.39 O ATOM 0 H SER A 24 -8.283 -0.491 5.232 1.00 0.54 H new ATOM 0 HA SER A 24 -8.539 -3.100 6.224 1.00 0.59 H new ATOM 0 HB2 SER A 24 -10.882 -2.858 5.559 1.00 0.75 H new ATOM 0 HB3 SER A 24 -10.297 -1.423 6.377 1.00 0.75 H new ATOM 0 HG SER A 24 -10.245 -0.310 4.468 1.00 2.39 H new ATOM 352 N SER A 25 -8.429 -2.838 2.945 1.00 0.50 N ATOM 353 CA SER A 25 -8.290 -3.545 1.689 1.00 0.56 C ATOM 354 C SER A 25 -6.949 -4.269 1.569 1.00 0.53 C ATOM 355 O SER A 25 -6.842 -5.184 0.752 1.00 0.79 O ATOM 356 CB SER A 25 -8.488 -2.561 0.544 1.00 0.61 C ATOM 357 OG SER A 25 -8.701 -3.280 -0.654 1.00 0.80 O ATOM 0 H SER A 25 -8.384 -1.824 2.845 1.00 0.50 H new ATOM 0 HA SER A 25 -9.054 -4.321 1.646 1.00 0.56 H new ATOM 0 HB2 SER A 25 -9.339 -1.912 0.749 1.00 0.61 H new ATOM 0 HB3 SER A 25 -7.613 -1.918 0.446 1.00 0.61 H new ATOM 0 HG SER A 25 -8.207 -4.126 -0.620 1.00 0.80 H new ATOM 363 N LEU A 26 -5.939 -3.878 2.349 1.00 0.50 N ATOM 364 CA LEU A 26 -4.723 -4.670 2.484 1.00 0.64 C ATOM 365 C LEU A 26 -4.928 -5.796 3.482 1.00 0.63 C ATOM 366 O LEU A 26 -4.709 -6.950 3.133 1.00 0.72 O ATOM 367 CB LEU A 26 -3.513 -3.854 2.933 1.00 0.89 C ATOM 368 CG LEU A 26 -2.777 -3.093 1.829 1.00 1.14 C ATOM 369 CD1 LEU A 26 -2.359 -3.908 0.605 1.00 1.69 C ATOM 370 CD2 LEU A 26 -3.583 -1.887 1.388 1.00 2.26 C ATOM 0 H LEU A 26 -5.943 -3.017 2.895 1.00 0.50 H new ATOM 0 HA LEU A 26 -4.518 -5.060 1.487 1.00 0.64 H new ATOM 0 HB2 LEU A 26 -3.841 -3.137 3.686 1.00 0.89 H new ATOM 0 HB3 LEU A 26 -2.805 -4.526 3.419 1.00 0.89 H new ATOM 0 HG LEU A 26 -1.839 -2.795 2.298 1.00 1.14 H new ATOM 0 HD11 LEU A 26 -1.847 -3.260 -0.106 1.00 1.69 H new ATOM 0 HD12 LEU A 26 -1.688 -4.710 0.914 1.00 1.69 H new ATOM 0 HD13 LEU A 26 -3.244 -4.336 0.134 1.00 1.69 H new ATOM 0 HD21 LEU A 26 -3.045 -1.357 0.602 1.00 2.26 H new ATOM 0 HD22 LEU A 26 -4.550 -2.215 1.007 1.00 2.26 H new ATOM 0 HD23 LEU A 26 -3.734 -1.220 2.237 1.00 2.26 H new ATOM 382 N THR A 27 -5.298 -5.477 4.725 1.00 0.60 N ATOM 383 CA THR A 27 -5.443 -6.477 5.777 1.00 0.68 C ATOM 384 C THR A 27 -6.431 -7.571 5.365 1.00 0.75 C ATOM 385 O THR A 27 -6.255 -8.740 5.702 1.00 1.60 O ATOM 386 CB THR A 27 -5.818 -5.781 7.087 1.00 0.73 C ATOM 387 OG1 THR A 27 -6.689 -4.700 6.833 1.00 0.71 O ATOM 388 CG2 THR A 27 -4.549 -5.254 7.774 1.00 0.94 C ATOM 0 H THR A 27 -5.503 -4.524 5.026 1.00 0.60 H new ATOM 0 HA THR A 27 -4.494 -6.988 5.938 1.00 0.68 H new ATOM 0 HB THR A 27 -6.318 -6.501 7.735 1.00 0.73 H new ATOM 0 HG1 THR A 27 -6.226 -3.856 7.018 1.00 0.71 H new ATOM 0 HG21 THR A 27 -4.819 -4.759 8.707 1.00 0.94 H new ATOM 0 HG22 THR A 27 -3.878 -6.086 7.986 1.00 0.94 H new ATOM 0 HG23 THR A 27 -4.048 -4.543 7.117 1.00 0.94 H new ATOM 396 N LYS A 28 -7.434 -7.189 4.577 1.00 1.47 N ATOM 397 CA LYS A 28 -8.258 -8.064 3.763 1.00 1.54 C ATOM 398 C LYS A 28 -7.489 -9.235 3.134 1.00 1.46 C ATOM 399 O LYS A 28 -7.958 -10.370 3.217 1.00 1.78 O ATOM 400 CB LYS A 28 -8.937 -7.177 2.708 1.00 1.58 C ATOM 401 CG LYS A 28 -9.416 -7.854 1.427 1.00 1.33 C ATOM 402 CD LYS A 28 -10.555 -8.842 1.706 1.00 2.07 C ATOM 403 CE LYS A 28 -10.973 -9.558 0.416 1.00 2.71 C ATOM 404 NZ LYS A 28 -12.032 -10.558 0.663 1.00 4.59 N ATOM 0 H LYS A 28 -7.703 -6.209 4.488 1.00 1.47 H new ATOM 0 HA LYS A 28 -8.997 -8.557 4.395 1.00 1.54 H new ATOM 0 HB2 LYS A 28 -9.795 -6.694 3.175 1.00 1.58 H new ATOM 0 HB3 LYS A 28 -8.238 -6.387 2.431 1.00 1.58 H new ATOM 0 HG2 LYS A 28 -9.754 -7.097 0.719 1.00 1.33 H new ATOM 0 HG3 LYS A 28 -8.584 -8.379 0.959 1.00 1.33 H new ATOM 0 HD2 LYS A 28 -10.236 -9.574 2.448 1.00 2.07 H new ATOM 0 HD3 LYS A 28 -11.409 -8.312 2.128 1.00 2.07 H new ATOM 0 HE2 LYS A 28 -11.327 -8.825 -0.309 1.00 2.71 H new ATOM 0 HE3 LYS A 28 -10.105 -10.049 -0.025 1.00 2.71 H new ATOM 0 HZ1 LYS A 28 -12.288 -11.021 -0.232 1.00 4.59 H new ATOM 0 HZ2 LYS A 28 -11.685 -11.272 1.335 1.00 4.59 H new ATOM 0 HZ3 LYS A 28 -12.869 -10.086 1.060 1.00 4.59 H new ATOM 418 N HIS A 29 -6.397 -8.978 2.401 1.00 1.21 N ATOM 419 CA HIS A 29 -5.818 -10.000 1.535 1.00 1.45 C ATOM 420 C HIS A 29 -4.763 -10.843 2.246 1.00 1.39 C ATOM 421 O HIS A 29 -4.052 -10.374 3.133 1.00 2.16 O ATOM 422 CB HIS A 29 -5.300 -9.391 0.228 1.00 1.67 C ATOM 423 CG HIS A 29 -4.056 -8.551 0.325 1.00 1.41 C ATOM 424 ND1 HIS A 29 -2.776 -9.022 0.520 1.00 3.12 N ATOM 425 CD2 HIS A 29 -3.960 -7.241 -0.061 1.00 1.47 C ATOM 426 CE1 HIS A 29 -1.932 -8.008 0.271 1.00 4.23 C ATOM 427 NE2 HIS A 29 -2.604 -6.910 -0.100 1.00 3.45 N ATOM 0 H HIS A 29 -5.907 -8.084 2.393 1.00 1.21 H new ATOM 0 HA HIS A 29 -6.619 -10.691 1.274 1.00 1.45 H new ATOM 0 HB2 HIS A 29 -5.110 -10.202 -0.474 1.00 1.67 H new ATOM 0 HB3 HIS A 29 -6.093 -8.778 -0.200 1.00 1.67 H new ATOM 0 HD1 HIS A 29 -2.517 -9.967 0.802 1.00 3.12 H new ATOM 0 HD2 HIS A 29 -4.784 -6.583 -0.293 1.00 1.47 H new ATOM 0 HE1 HIS A 29 -0.857 -8.069 0.358 1.00 4.23 H new ATOM 435 N ARG A 30 -4.641 -12.104 1.819 1.00 1.31 N ATOM 436 CA ARG A 30 -3.626 -13.009 2.332 1.00 1.23 C ATOM 437 C ARG A 30 -2.227 -12.439 2.090 1.00 1.30 C ATOM 438 O ARG A 30 -2.014 -11.679 1.144 1.00 2.65 O ATOM 439 CB ARG A 30 -3.774 -14.400 1.693 1.00 1.53 C ATOM 440 CG ARG A 30 -3.396 -14.417 0.202 1.00 2.99 C ATOM 441 CD ARG A 30 -3.475 -15.830 -0.385 1.00 3.48 C ATOM 442 NE ARG A 30 -2.875 -15.863 -1.730 1.00 5.06 N ATOM 443 CZ ARG A 30 -2.629 -16.974 -2.443 1.00 5.98 C ATOM 444 NH1 ARG A 30 -3.043 -18.161 -1.983 1.00 5.61 N ATOM 445 NH2 ARG A 30 -1.971 -16.894 -3.606 1.00 7.69 N ATOM 0 H ARG A 30 -5.245 -12.518 1.109 1.00 1.31 H new ATOM 0 HA ARG A 30 -3.765 -13.114 3.408 1.00 1.23 H new ATOM 0 HB2 ARG A 30 -3.145 -15.110 2.230 1.00 1.53 H new ATOM 0 HB3 ARG A 30 -4.804 -14.738 1.805 1.00 1.53 H new ATOM 0 HG2 ARG A 30 -4.063 -13.755 -0.350 1.00 2.99 H new ATOM 0 HG3 ARG A 30 -2.386 -14.027 0.078 1.00 2.99 H new ATOM 0 HD2 ARG A 30 -2.956 -16.531 0.269 1.00 3.48 H new ATOM 0 HD3 ARG A 30 -4.515 -16.152 -0.436 1.00 3.48 H new ATOM 0 HE ARG A 30 -2.626 -14.969 -2.154 1.00 5.06 H new ATOM 0 HH11 ARG A 30 -3.542 -18.218 -1.095 1.00 5.61 H new ATOM 0 HH12 ARG A 30 -2.859 -19.008 -2.520 1.00 5.61 H new ATOM 0 HH21 ARG A 30 -1.655 -15.988 -3.952 1.00 7.69 H new ATOM 0 HH22 ARG A 30 -1.785 -17.739 -4.146 1.00 7.69 H new ATOM 459 N GLY A 31 -1.266 -12.850 2.915 1.00 0.98 N ATOM 460 CA GLY A 31 0.140 -12.554 2.699 1.00 0.95 C ATOM 461 C GLY A 31 0.458 -11.060 2.744 1.00 0.87 C ATOM 462 O GLY A 31 1.458 -10.636 2.167 1.00 1.63 O ATOM 0 H GLY A 31 -1.447 -13.400 3.755 1.00 0.98 H new ATOM 0 HA2 GLY A 31 0.733 -13.067 3.456 1.00 0.95 H new ATOM 0 HA3 GLY A 31 0.444 -12.954 1.732 1.00 0.95 H new ATOM 466 N ILE A 32 -0.369 -10.260 3.428 1.00 0.94 N ATOM 467 CA ILE A 32 0.038 -8.987 3.972 1.00 0.69 C ATOM 468 C ILE A 32 0.340 -9.281 5.444 1.00 0.77 C ATOM 469 O ILE A 32 -0.392 -10.037 6.082 1.00 1.24 O ATOM 470 CB ILE A 32 -1.068 -7.943 3.729 1.00 0.91 C ATOM 471 CG1 ILE A 32 -0.505 -6.561 3.375 1.00 0.71 C ATOM 472 CG2 ILE A 32 -2.035 -7.803 4.900 1.00 1.93 C ATOM 473 CD1 ILE A 32 -0.169 -5.783 4.644 1.00 1.47 C ATOM 0 H ILE A 32 -1.345 -10.492 3.613 1.00 0.94 H new ATOM 0 HA ILE A 32 0.920 -8.551 3.503 1.00 0.69 H new ATOM 0 HB ILE A 32 -1.623 -8.330 2.875 1.00 0.91 H new ATOM 0 HG12 ILE A 32 0.389 -6.672 2.761 1.00 0.71 H new ATOM 0 HG13 ILE A 32 -1.232 -6.006 2.782 1.00 0.71 H new ATOM 0 HG21 ILE A 32 -2.788 -7.052 4.662 1.00 1.93 H new ATOM 0 HG22 ILE A 32 -2.523 -8.760 5.085 1.00 1.93 H new ATOM 0 HG23 ILE A 32 -1.486 -7.497 5.791 1.00 1.93 H new ATOM 0 HD11 ILE A 32 0.229 -4.804 4.376 1.00 1.47 H new ATOM 0 HD12 ILE A 32 -1.071 -5.656 5.243 1.00 1.47 H new ATOM 0 HD13 ILE A 32 0.575 -6.332 5.221 1.00 1.47 H new ATOM 485 N LEU A 33 1.417 -8.709 5.971 1.00 0.68 N ATOM 486 CA LEU A 33 1.834 -8.860 7.356 1.00 1.04 C ATOM 487 C LEU A 33 1.348 -7.655 8.156 1.00 0.97 C ATOM 488 O LEU A 33 0.808 -7.812 9.248 1.00 1.21 O ATOM 489 CB LEU A 33 3.361 -8.979 7.416 1.00 1.44 C ATOM 490 CG LEU A 33 3.879 -10.186 6.621 1.00 2.04 C ATOM 491 CD1 LEU A 33 5.378 -10.031 6.369 1.00 3.45 C ATOM 492 CD2 LEU A 33 3.609 -11.504 7.358 1.00 2.30 C ATOM 0 H LEU A 33 2.040 -8.111 5.429 1.00 0.68 H new ATOM 0 HA LEU A 33 1.401 -9.763 7.786 1.00 1.04 H new ATOM 0 HB2 LEU A 33 3.811 -8.067 7.023 1.00 1.44 H new ATOM 0 HB3 LEU A 33 3.676 -9.068 8.456 1.00 1.44 H new ATOM 0 HG LEU A 33 3.346 -10.218 5.671 1.00 2.04 H new ATOM 0 HD11 LEU A 33 5.743 -10.889 5.805 1.00 3.45 H new ATOM 0 HD12 LEU A 33 5.559 -9.119 5.800 1.00 3.45 H new ATOM 0 HD13 LEU A 33 5.903 -9.974 7.322 1.00 3.45 H new ATOM 0 HD21 LEU A 33 3.989 -12.336 6.766 1.00 2.30 H new ATOM 0 HD22 LEU A 33 4.110 -11.489 8.326 1.00 2.30 H new ATOM 0 HD23 LEU A 33 2.536 -11.625 7.507 1.00 2.30 H new ATOM 504 N TYR A 34 1.541 -6.448 7.614 1.00 0.74 N ATOM 505 CA TYR A 34 1.116 -5.215 8.256 1.00 0.69 C ATOM 506 C TYR A 34 1.031 -4.107 7.212 1.00 0.55 C ATOM 507 O TYR A 34 1.950 -3.949 6.412 1.00 0.68 O ATOM 508 CB TYR A 34 2.111 -4.837 9.357 1.00 0.78 C ATOM 509 CG TYR A 34 1.783 -3.534 10.056 1.00 0.81 C ATOM 510 CD1 TYR A 34 0.580 -3.404 10.774 1.00 1.74 C ATOM 511 CD2 TYR A 34 2.636 -2.424 9.915 1.00 1.81 C ATOM 512 CE1 TYR A 34 0.219 -2.162 11.325 1.00 1.82 C ATOM 513 CE2 TYR A 34 2.303 -1.200 10.515 1.00 1.81 C ATOM 514 CZ TYR A 34 1.077 -1.057 11.183 1.00 0.96 C ATOM 515 OH TYR A 34 0.726 0.162 11.682 1.00 1.11 O ATOM 0 H TYR A 34 1.999 -6.306 6.714 1.00 0.74 H new ATOM 0 HA TYR A 34 0.134 -5.354 8.708 1.00 0.69 H new ATOM 0 HB2 TYR A 34 2.142 -5.637 10.096 1.00 0.78 H new ATOM 0 HB3 TYR A 34 3.108 -4.765 8.923 1.00 0.78 H new ATOM 0 HD1 TYR A 34 -0.067 -4.259 10.902 1.00 1.74 H new ATOM 0 HD2 TYR A 34 3.548 -2.514 9.344 1.00 1.81 H new ATOM 0 HE1 TYR A 34 -0.715 -2.057 11.856 1.00 1.82 H new ATOM 0 HE2 TYR A 34 2.990 -0.368 10.463 1.00 1.81 H new ATOM 0 HH TYR A 34 1.437 0.809 11.494 1.00 1.11 H new ATOM 525 N CYS A 35 -0.059 -3.340 7.217 1.00 0.56 N ATOM 526 CA CYS A 35 -0.247 -2.196 6.337 1.00 0.55 C ATOM 527 C CYS A 35 -0.161 -0.925 7.167 1.00 0.56 C ATOM 528 O CYS A 35 -0.633 -0.906 8.302 1.00 0.81 O ATOM 529 CB CYS A 35 -1.623 -2.276 5.683 1.00 0.72 C ATOM 530 SG CYS A 35 -1.852 -0.871 4.585 1.00 1.95 S ATOM 0 H CYS A 35 -0.847 -3.502 7.844 1.00 0.56 H new ATOM 0 HA CYS A 35 0.521 -2.193 5.563 1.00 0.55 H new ATOM 0 HB2 CYS A 35 -1.717 -3.207 5.123 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -2.400 -2.283 6.447 1.00 0.72 H new ATOM 0 HG CYS A 35 -2.387 0.113 5.245 1.00 1.95 H new ATOM 536 N SER A 36 0.427 0.135 6.613 1.00 0.47 N ATOM 537 CA SER A 36 0.349 1.456 7.212 1.00 0.49 C ATOM 538 C SER A 36 0.529 2.506 6.124 1.00 0.48 C ATOM 539 O SER A 36 1.624 2.650 5.576 1.00 0.59 O ATOM 540 CB SER A 36 1.395 1.595 8.320 1.00 0.72 C ATOM 541 OG SER A 36 1.263 2.839 8.979 1.00 1.47 O ATOM 0 H SER A 36 0.964 0.098 5.746 1.00 0.47 H new ATOM 0 HA SER A 36 -0.628 1.603 7.672 1.00 0.49 H new ATOM 0 HB2 SER A 36 1.281 0.783 9.039 1.00 0.72 H new ATOM 0 HB3 SER A 36 2.395 1.507 7.896 1.00 0.72 H new ATOM 0 HG SER A 36 1.939 2.909 9.685 1.00 1.47 H new ATOM 547 N VAL A 37 -0.552 3.221 5.796 1.00 0.48 N ATOM 548 CA VAL A 37 -0.508 4.360 4.903 1.00 0.53 C ATOM 549 C VAL A 37 -0.629 5.662 5.699 1.00 0.56 C ATOM 550 O VAL A 37 -1.306 5.695 6.725 1.00 0.64 O ATOM 551 CB VAL A 37 -1.575 4.186 3.811 1.00 0.68 C ATOM 552 CG1 VAL A 37 -1.584 2.765 3.240 1.00 1.83 C ATOM 553 CG2 VAL A 37 -2.986 4.427 4.334 1.00 1.47 C ATOM 0 H VAL A 37 -1.486 3.015 6.152 1.00 0.48 H new ATOM 0 HA VAL A 37 0.454 4.419 4.393 1.00 0.53 H new ATOM 0 HB VAL A 37 -1.310 4.920 3.050 1.00 0.68 H new ATOM 0 HG11 VAL A 37 -2.353 2.687 2.472 1.00 1.83 H new ATOM 0 HG12 VAL A 37 -0.611 2.542 2.803 1.00 1.83 H new ATOM 0 HG13 VAL A 37 -1.795 2.053 4.038 1.00 1.83 H new ATOM 0 HG21 VAL A 37 -3.702 4.292 3.524 1.00 1.47 H new ATOM 0 HG22 VAL A 37 -3.204 3.718 5.133 1.00 1.47 H new ATOM 0 HG23 VAL A 37 -3.062 5.444 4.720 1.00 1.47 H new ATOM 563 N ALA A 38 0.047 6.724 5.247 1.00 0.67 N ATOM 564 CA ALA A 38 0.130 8.005 5.933 1.00 0.88 C ATOM 565 C ALA A 38 -0.170 9.150 4.979 1.00 0.73 C ATOM 566 O ALA A 38 0.376 9.211 3.878 1.00 0.55 O ATOM 567 CB ALA A 38 1.519 8.208 6.520 1.00 1.17 C ATOM 0 H ALA A 38 0.564 6.709 4.368 1.00 0.67 H new ATOM 0 HA ALA A 38 -0.610 7.998 6.734 1.00 0.88 H new ATOM 0 HB1 ALA A 38 1.562 9.171 7.029 1.00 1.17 H new ATOM 0 HB2 ALA A 38 1.733 7.411 7.232 1.00 1.17 H new ATOM 0 HB3 ALA A 38 2.259 8.187 5.720 1.00 1.17 H new ATOM 573 N LEU A 39 -1.002 10.078 5.450 1.00 0.95 N ATOM 574 CA LEU A 39 -1.503 11.210 4.685 1.00 0.99 C ATOM 575 C LEU A 39 -0.407 12.246 4.457 1.00 0.93 C ATOM 576 O LEU A 39 -0.195 12.674 3.327 1.00 0.86 O ATOM 577 CB LEU A 39 -2.691 11.849 5.420 1.00 1.54 C ATOM 578 CG LEU A 39 -3.919 10.929 5.493 1.00 1.48 C ATOM 579 CD1 LEU A 39 -4.910 11.478 6.519 1.00 2.83 C ATOM 580 CD2 LEU A 39 -4.633 10.848 4.142 1.00 2.17 C ATOM 0 H LEU A 39 -1.355 10.058 6.407 1.00 0.95 H new ATOM 0 HA LEU A 39 -1.833 10.848 3.711 1.00 0.99 H new ATOM 0 HB2 LEU A 39 -2.384 12.116 6.431 1.00 1.54 H new ATOM 0 HB3 LEU A 39 -2.967 12.775 4.916 1.00 1.54 H new ATOM 0 HG LEU A 39 -3.573 9.935 5.777 1.00 1.48 H new ATOM 0 HD11 LEU A 39 -5.781 10.824 6.570 1.00 2.83 H new ATOM 0 HD12 LEU A 39 -4.433 11.523 7.498 1.00 2.83 H new ATOM 0 HD13 LEU A 39 -5.224 12.479 6.222 1.00 2.83 H new ATOM 0 HD21 LEU A 39 -5.498 10.190 4.226 1.00 2.17 H new ATOM 0 HD22 LEU A 39 -4.963 11.843 3.844 1.00 2.17 H new ATOM 0 HD23 LEU A 39 -3.948 10.453 3.392 1.00 2.17 H new ATOM 592 N ALA A 40 0.305 12.641 5.518 1.00 1.06 N ATOM 593 CA ALA A 40 1.230 13.768 5.480 1.00 1.10 C ATOM 594 C ALA A 40 2.315 13.562 4.426 1.00 0.97 C ATOM 595 O ALA A 40 2.802 14.520 3.832 1.00 1.15 O ATOM 596 CB ALA A 40 1.851 13.965 6.866 1.00 1.38 C ATOM 0 H ALA A 40 0.252 12.183 6.428 1.00 1.06 H new ATOM 0 HA ALA A 40 0.675 14.665 5.203 1.00 1.10 H new ATOM 0 HB1 ALA A 40 2.543 14.807 6.839 1.00 1.38 H new ATOM 0 HB2 ALA A 40 1.063 14.166 7.592 1.00 1.38 H new ATOM 0 HB3 ALA A 40 2.390 13.063 7.155 1.00 1.38 H new ATOM 602 N THR A 41 2.689 12.300 4.210 1.00 0.89 N ATOM 603 CA THR A 41 3.693 11.898 3.240 1.00 1.00 C ATOM 604 C THR A 41 3.057 11.189 2.035 1.00 0.77 C ATOM 605 O THR A 41 3.791 10.710 1.171 1.00 0.88 O ATOM 606 CB THR A 41 4.729 11.033 3.976 1.00 1.34 C ATOM 607 OG1 THR A 41 5.740 10.569 3.102 1.00 2.87 O ATOM 608 CG2 THR A 41 4.102 9.842 4.704 1.00 1.49 C ATOM 0 H THR A 41 2.288 11.514 4.721 1.00 0.89 H new ATOM 0 HA THR A 41 4.195 12.769 2.818 1.00 1.00 H new ATOM 0 HB THR A 41 5.174 11.689 4.725 1.00 1.34 H new ATOM 0 HG1 THR A 41 5.371 10.465 2.200 1.00 2.87 H new ATOM 0 HG21 THR A 41 4.883 9.269 5.204 1.00 1.49 H new ATOM 0 HG22 THR A 41 3.387 10.203 5.443 1.00 1.49 H new ATOM 0 HG23 THR A 41 3.589 9.204 3.984 1.00 1.49 H new ATOM 616 N ASN A 42 1.722 11.080 1.999 1.00 0.60 N ATOM 617 CA ASN A 42 0.937 10.320 1.035 1.00 0.65 C ATOM 618 C ASN A 42 1.593 8.968 0.734 1.00 0.57 C ATOM 619 O ASN A 42 1.625 8.528 -0.415 1.00 0.81 O ATOM 620 CB ASN A 42 0.644 11.166 -0.220 1.00 1.05 C ATOM 621 CG ASN A 42 -0.648 10.741 -0.924 1.00 2.41 C ATOM 622 OD1 ASN A 42 -1.444 11.569 -1.359 1.00 3.06 O ATOM 623 ND2 ASN A 42 -0.908 9.444 -1.009 1.00 3.93 N ATOM 0 H ASN A 42 1.133 11.550 2.686 1.00 0.60 H new ATOM 0 HA ASN A 42 -0.034 10.085 1.471 1.00 0.65 H new ATOM 0 HB2 ASN A 42 0.572 12.216 0.062 1.00 1.05 H new ATOM 0 HB3 ASN A 42 1.479 11.080 -0.916 1.00 1.05 H new ATOM 0 HD21 ASN A 42 -1.776 9.125 -1.439 1.00 3.93 H new ATOM 0 HD22 ASN A 42 -0.240 8.765 -0.644 1.00 3.93 H new ATOM 630 N LYS A 43 2.102 8.298 1.771 1.00 0.55 N ATOM 631 CA LYS A 43 2.858 7.063 1.627 1.00 0.59 C ATOM 632 C LYS A 43 1.930 5.889 1.912 1.00 0.55 C ATOM 633 O LYS A 43 1.027 6.019 2.733 1.00 0.65 O ATOM 634 CB LYS A 43 4.087 7.063 2.554 1.00 0.73 C ATOM 635 CG LYS A 43 5.069 5.944 2.171 1.00 1.15 C ATOM 636 CD LYS A 43 6.227 5.752 3.155 1.00 0.92 C ATOM 637 CE LYS A 43 7.232 6.913 3.193 1.00 1.02 C ATOM 638 NZ LYS A 43 8.532 6.473 3.750 1.00 1.41 N ATOM 0 H LYS A 43 1.997 8.604 2.738 1.00 0.55 H new ATOM 0 HA LYS A 43 3.237 6.974 0.609 1.00 0.59 H new ATOM 0 HB2 LYS A 43 4.590 8.028 2.496 1.00 0.73 H new ATOM 0 HB3 LYS A 43 3.767 6.932 3.588 1.00 0.73 H new ATOM 0 HG2 LYS A 43 4.519 5.007 2.090 1.00 1.15 H new ATOM 0 HG3 LYS A 43 5.479 6.159 1.184 1.00 1.15 H new ATOM 0 HD2 LYS A 43 5.817 5.610 4.155 1.00 0.92 H new ATOM 0 HD3 LYS A 43 6.759 4.837 2.896 1.00 0.92 H new ATOM 0 HE2 LYS A 43 7.378 7.305 2.187 1.00 1.02 H new ATOM 0 HE3 LYS A 43 6.830 7.727 3.797 1.00 1.02 H new ATOM 0 HZ1 LYS A 43 9.052 7.298 4.111 1.00 1.41 H new ATOM 0 HZ2 LYS A 43 8.367 5.801 4.526 1.00 1.41 H new ATOM 0 HZ3 LYS A 43 9.090 6.011 3.004 1.00 1.41 H new ATOM 652 N ALA A 44 2.181 4.743 1.278 1.00 0.57 N ATOM 653 CA ALA A 44 1.700 3.452 1.732 1.00 0.58 C ATOM 654 C ALA A 44 2.913 2.560 1.959 1.00 0.55 C ATOM 655 O ALA A 44 3.616 2.253 0.995 1.00 0.62 O ATOM 656 CB ALA A 44 0.732 2.852 0.710 1.00 0.71 C ATOM 0 H ALA A 44 2.733 4.692 0.422 1.00 0.57 H new ATOM 0 HA ALA A 44 1.144 3.551 2.665 1.00 0.58 H new ATOM 0 HB1 ALA A 44 0.381 1.884 1.066 1.00 0.71 H new ATOM 0 HB2 ALA A 44 -0.119 3.521 0.579 1.00 0.71 H new ATOM 0 HB3 ALA A 44 1.243 2.724 -0.244 1.00 0.71 H new ATOM 662 N HIS A 45 3.175 2.161 3.211 1.00 0.54 N ATOM 663 CA HIS A 45 4.078 1.053 3.468 1.00 0.57 C ATOM 664 C HIS A 45 3.242 -0.206 3.610 1.00 0.51 C ATOM 665 O HIS A 45 2.232 -0.213 4.323 1.00 0.50 O ATOM 666 CB HIS A 45 5.061 1.309 4.624 1.00 0.74 C ATOM 667 CG HIS A 45 4.736 0.769 5.998 1.00 0.62 C ATOM 668 ND1 HIS A 45 5.030 1.428 7.170 1.00 0.86 N ATOM 669 CD2 HIS A 45 4.555 -0.554 6.321 1.00 0.61 C ATOM 670 CE1 HIS A 45 4.997 0.530 8.169 1.00 0.95 C ATOM 671 NE2 HIS A 45 4.707 -0.693 7.702 1.00 0.78 N ATOM 0 H HIS A 45 2.775 2.589 4.046 1.00 0.54 H new ATOM 0 HA HIS A 45 4.754 0.927 2.622 1.00 0.57 H new ATOM 0 HB2 HIS A 45 6.028 0.900 4.330 1.00 0.74 H new ATOM 0 HB3 HIS A 45 5.186 2.388 4.716 1.00 0.74 H new ATOM 0 HD1 HIS A 45 5.236 2.422 7.264 1.00 0.86 H new ATOM 0 HD2 HIS A 45 4.333 -1.350 5.626 1.00 0.61 H new ATOM 0 HE1 HIS A 45 5.179 0.762 9.208 1.00 0.95 H new ATOM 679 N ILE A 46 3.682 -1.263 2.933 1.00 0.53 N ATOM 680 CA ILE A 46 3.123 -2.586 3.066 1.00 0.46 C ATOM 681 C ILE A 46 4.258 -3.503 3.505 1.00 0.53 C ATOM 682 O ILE A 46 5.278 -3.598 2.824 1.00 0.69 O ATOM 683 CB ILE A 46 2.484 -3.047 1.742 1.00 0.52 C ATOM 684 CG1 ILE A 46 1.568 -2.001 1.082 1.00 0.66 C ATOM 685 CG2 ILE A 46 1.599 -4.259 2.028 1.00 0.77 C ATOM 686 CD1 ILE A 46 2.303 -1.026 0.157 1.00 1.06 C ATOM 0 H ILE A 46 4.452 -1.213 2.266 1.00 0.53 H new ATOM 0 HA ILE A 46 2.323 -2.604 3.806 1.00 0.46 H new ATOM 0 HB ILE A 46 3.315 -3.250 1.066 1.00 0.52 H new ATOM 0 HG12 ILE A 46 0.797 -2.517 0.510 1.00 0.66 H new ATOM 0 HG13 ILE A 46 1.060 -1.433 1.862 1.00 0.66 H new ATOM 0 HG21 ILE A 46 1.138 -4.600 1.101 1.00 0.77 H new ATOM 0 HG22 ILE A 46 2.206 -5.062 2.448 1.00 0.77 H new ATOM 0 HG23 ILE A 46 0.821 -3.982 2.740 1.00 0.77 H new ATOM 0 HD11 ILE A 46 1.589 -0.321 -0.269 1.00 1.06 H new ATOM 0 HD12 ILE A 46 3.056 -0.481 0.727 1.00 1.06 H new ATOM 0 HD13 ILE A 46 2.788 -1.581 -0.646 1.00 1.06 H new ATOM 698 N LYS A 47 4.070 -4.170 4.643 1.00 0.49 N ATOM 699 CA LYS A 47 4.768 -5.391 4.993 1.00 0.57 C ATOM 700 C LYS A 47 3.882 -6.528 4.506 1.00 0.55 C ATOM 701 O LYS A 47 2.694 -6.548 4.819 1.00 0.94 O ATOM 702 CB LYS A 47 4.960 -5.516 6.502 1.00 0.69 C ATOM 703 CG LYS A 47 5.737 -4.348 7.104 1.00 0.79 C ATOM 704 CD LYS A 47 5.980 -4.643 8.591 1.00 0.86 C ATOM 705 CE LYS A 47 7.418 -4.327 9.025 1.00 1.49 C ATOM 706 NZ LYS A 47 8.352 -5.418 8.676 1.00 3.11 N ATOM 0 H LYS A 47 3.411 -3.863 5.359 1.00 0.49 H new ATOM 0 HA LYS A 47 5.760 -5.405 4.541 1.00 0.57 H new ATOM 0 HB2 LYS A 47 3.984 -5.582 6.983 1.00 0.69 H new ATOM 0 HB3 LYS A 47 5.486 -6.446 6.720 1.00 0.69 H new ATOM 0 HG2 LYS A 47 6.686 -4.215 6.584 1.00 0.79 H new ATOM 0 HG3 LYS A 47 5.177 -3.420 6.988 1.00 0.79 H new ATOM 0 HD2 LYS A 47 5.285 -4.057 9.193 1.00 0.86 H new ATOM 0 HD3 LYS A 47 5.766 -5.693 8.789 1.00 0.86 H new ATOM 0 HE2 LYS A 47 7.746 -3.403 8.549 1.00 1.49 H new ATOM 0 HE3 LYS A 47 7.443 -4.158 10.102 1.00 1.49 H new ATOM 0 HZ1 LYS A 47 9.322 -5.044 8.632 1.00 3.11 H new ATOM 0 HZ2 LYS A 47 8.301 -6.164 9.399 1.00 3.11 H new ATOM 0 HZ3 LYS A 47 8.092 -5.815 7.751 1.00 3.11 H new ATOM 720 N TYR A 48 4.435 -7.447 3.732 1.00 0.54 N ATOM 721 CA TYR A 48 3.734 -8.448 2.955 1.00 0.59 C ATOM 722 C TYR A 48 4.750 -9.478 2.492 1.00 0.73 C ATOM 723 O TYR A 48 5.935 -9.164 2.438 1.00 0.81 O ATOM 724 CB TYR A 48 3.090 -7.822 1.708 1.00 0.56 C ATOM 725 CG TYR A 48 4.101 -7.386 0.662 1.00 0.51 C ATOM 726 CD1 TYR A 48 4.984 -6.337 0.960 1.00 1.80 C ATOM 727 CD2 TYR A 48 4.327 -8.173 -0.482 1.00 1.74 C ATOM 728 CE1 TYR A 48 6.144 -6.153 0.197 1.00 2.00 C ATOM 729 CE2 TYR A 48 5.396 -7.871 -1.343 1.00 1.81 C ATOM 730 CZ TYR A 48 6.335 -6.894 -0.976 1.00 1.12 C ATOM 731 OH TYR A 48 7.441 -6.670 -1.740 1.00 1.64 O ATOM 0 H TYR A 48 5.447 -7.516 3.625 1.00 0.54 H new ATOM 0 HA TYR A 48 2.954 -8.895 3.571 1.00 0.59 H new ATOM 0 HB2 TYR A 48 2.404 -8.542 1.262 1.00 0.56 H new ATOM 0 HB3 TYR A 48 2.495 -6.960 2.009 1.00 0.56 H new ATOM 0 HD1 TYR A 48 4.768 -5.669 1.781 1.00 1.80 H new ATOM 0 HD2 TYR A 48 3.679 -9.009 -0.699 1.00 1.74 H new ATOM 0 HE1 TYR A 48 6.891 -5.440 0.513 1.00 2.00 H new ATOM 0 HE2 TYR A 48 5.495 -8.390 -2.285 1.00 1.81 H new ATOM 0 HH TYR A 48 7.427 -7.265 -2.519 1.00 1.64 H new ATOM 741 N ASP A 49 4.290 -10.661 2.098 1.00 0.90 N ATOM 742 CA ASP A 49 5.149 -11.776 1.745 1.00 1.00 C ATOM 743 C ASP A 49 5.311 -11.847 0.214 1.00 0.99 C ATOM 744 O ASP A 49 4.466 -12.440 -0.469 1.00 1.15 O ATOM 745 CB ASP A 49 4.525 -13.051 2.315 1.00 1.25 C ATOM 746 CG ASP A 49 4.241 -12.964 3.807 1.00 2.62 C ATOM 747 OD1 ASP A 49 3.124 -12.509 4.139 1.00 4.15 O ATOM 748 OD2 ASP A 49 5.140 -13.359 4.576 1.00 3.14 O ATOM 0 H ASP A 49 3.295 -10.871 2.015 1.00 0.90 H new ATOM 0 HA ASP A 49 6.147 -11.652 2.166 1.00 1.00 H new ATOM 0 HB2 ASP A 49 3.595 -13.260 1.786 1.00 1.25 H new ATOM 0 HB3 ASP A 49 5.194 -13.891 2.127 1.00 1.25 H new ATOM 753 N PRO A 50 6.379 -11.267 -0.371 1.00 0.96 N ATOM 754 CA PRO A 50 6.560 -11.230 -1.819 1.00 1.06 C ATOM 755 C PRO A 50 6.590 -12.632 -2.420 1.00 1.18 C ATOM 756 O PRO A 50 6.144 -12.836 -3.545 1.00 1.56 O ATOM 757 CB PRO A 50 7.881 -10.491 -2.063 1.00 1.13 C ATOM 758 CG PRO A 50 8.653 -10.690 -0.761 1.00 1.07 C ATOM 759 CD PRO A 50 7.542 -10.686 0.284 1.00 1.00 C ATOM 0 HA PRO A 50 5.726 -10.721 -2.302 1.00 1.06 H new ATOM 0 HB2 PRO A 50 8.420 -10.905 -2.915 1.00 1.13 H new ATOM 0 HB3 PRO A 50 7.716 -9.434 -2.273 1.00 1.13 H new ATOM 0 HG2 PRO A 50 9.210 -11.627 -0.758 1.00 1.07 H new ATOM 0 HG3 PRO A 50 9.374 -9.891 -0.590 1.00 1.07 H new ATOM 0 HD2 PRO A 50 7.828 -11.267 1.161 1.00 1.00 H new ATOM 0 HD3 PRO A 50 7.332 -9.673 0.627 1.00 1.00 H new ATOM 767 N GLU A 51 7.105 -13.593 -1.653 1.00 1.14 N ATOM 768 CA GLU A 51 7.246 -14.982 -2.042 1.00 1.43 C ATOM 769 C GLU A 51 5.901 -15.656 -2.356 1.00 1.49 C ATOM 770 O GLU A 51 5.909 -16.730 -2.953 1.00 2.14 O ATOM 771 CB GLU A 51 7.998 -15.709 -0.918 1.00 1.66 C ATOM 772 CG GLU A 51 9.424 -15.149 -0.757 1.00 2.11 C ATOM 773 CD GLU A 51 10.052 -15.540 0.568 1.00 2.77 C ATOM 774 OE1 GLU A 51 9.456 -15.234 1.628 1.00 3.69 O ATOM 775 OE2 GLU A 51 11.180 -16.082 0.572 1.00 3.30 O ATOM 0 H GLU A 51 7.446 -13.411 -0.709 1.00 1.14 H new ATOM 0 HA GLU A 51 7.810 -15.036 -2.973 1.00 1.43 H new ATOM 0 HB2 GLU A 51 7.452 -15.600 0.019 1.00 1.66 H new ATOM 0 HB3 GLU A 51 8.045 -16.776 -1.137 1.00 1.66 H new ATOM 0 HG2 GLU A 51 10.048 -15.512 -1.573 1.00 2.11 H new ATOM 0 HG3 GLU A 51 9.396 -14.062 -0.836 1.00 2.11 H new ATOM 782 N ILE A 52 4.761 -15.069 -1.954 1.00 1.05 N ATOM 783 CA ILE A 52 3.444 -15.659 -2.195 1.00 1.05 C ATOM 784 C ILE A 52 2.485 -14.748 -2.958 1.00 1.04 C ATOM 785 O ILE A 52 1.841 -15.212 -3.897 1.00 1.37 O ATOM 786 CB ILE A 52 2.814 -16.192 -0.901 1.00 1.07 C ATOM 787 CG1 ILE A 52 2.894 -15.184 0.253 1.00 1.00 C ATOM 788 CG2 ILE A 52 3.479 -17.524 -0.520 1.00 1.26 C ATOM 789 CD1 ILE A 52 2.085 -15.645 1.471 1.00 1.14 C ATOM 0 H ILE A 52 4.732 -14.179 -1.457 1.00 1.05 H new ATOM 0 HA ILE A 52 3.624 -16.507 -2.856 1.00 1.05 H new ATOM 0 HB ILE A 52 1.752 -16.355 -1.087 1.00 1.07 H new ATOM 0 HG12 ILE A 52 3.936 -15.044 0.541 1.00 1.00 H new ATOM 0 HG13 ILE A 52 2.523 -14.216 -0.084 1.00 1.00 H new ATOM 0 HG21 ILE A 52 3.033 -17.904 0.399 1.00 1.26 H new ATOM 0 HG22 ILE A 52 3.330 -18.247 -1.322 1.00 1.26 H new ATOM 0 HG23 ILE A 52 4.547 -17.367 -0.367 1.00 1.26 H new ATOM 0 HD11 ILE A 52 2.168 -14.903 2.265 1.00 1.14 H new ATOM 0 HD12 ILE A 52 1.038 -15.760 1.190 1.00 1.14 H new ATOM 0 HD13 ILE A 52 2.473 -16.600 1.825 1.00 1.14 H new ATOM 801 N ILE A 53 2.337 -13.487 -2.541 1.00 0.82 N ATOM 802 CA ILE A 53 1.458 -12.554 -3.248 1.00 0.74 C ATOM 803 C ILE A 53 2.244 -11.814 -4.329 1.00 0.73 C ATOM 804 O ILE A 53 2.045 -12.077 -5.510 1.00 1.04 O ATOM 805 CB ILE A 53 0.625 -11.662 -2.302 1.00 0.77 C ATOM 806 CG1 ILE A 53 -0.329 -10.815 -3.164 1.00 0.94 C ATOM 807 CG2 ILE A 53 1.426 -10.774 -1.341 1.00 0.77 C ATOM 808 CD1 ILE A 53 -1.329 -10.010 -2.337 1.00 1.18 C ATOM 0 H ILE A 53 2.809 -13.093 -1.727 1.00 0.82 H new ATOM 0 HA ILE A 53 0.687 -13.123 -3.768 1.00 0.74 H new ATOM 0 HB ILE A 53 0.086 -12.335 -1.635 1.00 0.77 H new ATOM 0 HG12 ILE A 53 0.257 -10.133 -3.780 1.00 0.94 H new ATOM 0 HG13 ILE A 53 -0.873 -11.470 -3.844 1.00 0.94 H new ATOM 0 HG21 ILE A 53 0.740 -10.192 -0.726 1.00 0.77 H new ATOM 0 HG22 ILE A 53 2.047 -11.400 -0.700 1.00 0.77 H new ATOM 0 HG23 ILE A 53 2.061 -10.098 -1.914 1.00 0.77 H new ATOM 0 HD11 ILE A 53 -1.972 -9.435 -3.003 1.00 1.18 H new ATOM 0 HD12 ILE A 53 -1.938 -10.689 -1.741 1.00 1.18 H new ATOM 0 HD13 ILE A 53 -0.791 -9.331 -1.676 1.00 1.18 H new ATOM 820 N GLY A 54 3.150 -10.921 -3.927 1.00 0.69 N ATOM 821 CA GLY A 54 3.994 -10.165 -4.838 1.00 0.70 C ATOM 822 C GLY A 54 3.743 -8.654 -4.739 1.00 0.59 C ATOM 823 O GLY A 54 2.634 -8.217 -4.434 1.00 0.55 O ATOM 0 H GLY A 54 3.316 -10.704 -2.944 1.00 0.69 H new ATOM 0 HA2 GLY A 54 5.041 -10.373 -4.618 1.00 0.70 H new ATOM 0 HA3 GLY A 54 3.811 -10.496 -5.860 1.00 0.70 H new ATOM 827 N PRO A 55 4.782 -7.837 -4.984 1.00 0.70 N ATOM 828 CA PRO A 55 4.696 -6.384 -4.939 1.00 0.79 C ATOM 829 C PRO A 55 3.836 -5.831 -6.080 1.00 0.82 C ATOM 830 O PRO A 55 3.081 -4.881 -5.879 1.00 0.84 O ATOM 831 CB PRO A 55 6.141 -5.882 -5.023 1.00 1.08 C ATOM 832 CG PRO A 55 6.890 -7.021 -5.719 1.00 1.10 C ATOM 833 CD PRO A 55 6.137 -8.276 -5.274 1.00 0.88 C ATOM 0 HA PRO A 55 4.210 -6.044 -4.024 1.00 0.79 H new ATOM 0 HB2 PRO A 55 6.209 -4.954 -5.591 1.00 1.08 H new ATOM 0 HB3 PRO A 55 6.552 -5.681 -4.034 1.00 1.08 H new ATOM 0 HG2 PRO A 55 6.873 -6.907 -6.803 1.00 1.10 H new ATOM 0 HG3 PRO A 55 7.937 -7.054 -5.418 1.00 1.10 H new ATOM 0 HD2 PRO A 55 6.144 -9.035 -6.056 1.00 0.88 H new ATOM 0 HD3 PRO A 55 6.602 -8.721 -4.394 1.00 0.88 H new ATOM 841 N ARG A 56 3.956 -6.409 -7.282 1.00 0.90 N ATOM 842 CA ARG A 56 3.152 -6.008 -8.430 1.00 1.02 C ATOM 843 C ARG A 56 1.670 -5.994 -8.066 1.00 0.96 C ATOM 844 O ARG A 56 1.000 -4.980 -8.227 1.00 1.02 O ATOM 845 CB ARG A 56 3.391 -6.949 -9.619 1.00 1.11 C ATOM 846 CG ARG A 56 4.557 -6.486 -10.506 1.00 2.17 C ATOM 847 CD ARG A 56 4.367 -6.949 -11.956 1.00 2.41 C ATOM 848 NE ARG A 56 3.161 -6.340 -12.551 1.00 3.06 N ATOM 849 CZ ARG A 56 2.767 -6.441 -13.828 1.00 4.26 C ATOM 850 NH1 ARG A 56 3.525 -7.090 -14.719 1.00 4.73 N ATOM 851 NH2 ARG A 56 1.604 -5.892 -14.188 1.00 5.67 N ATOM 0 H ARG A 56 4.612 -7.164 -7.480 1.00 0.90 H new ATOM 0 HA ARG A 56 3.454 -5.001 -8.718 1.00 1.02 H new ATOM 0 HB2 ARG A 56 3.596 -7.953 -9.249 1.00 1.11 H new ATOM 0 HB3 ARG A 56 2.483 -7.010 -10.219 1.00 1.11 H new ATOM 0 HG2 ARG A 56 4.632 -5.399 -10.475 1.00 2.17 H new ATOM 0 HG3 ARG A 56 5.494 -6.881 -10.115 1.00 2.17 H new ATOM 0 HD2 ARG A 56 5.243 -6.680 -12.545 1.00 2.41 H new ATOM 0 HD3 ARG A 56 4.283 -8.035 -11.987 1.00 2.41 H new ATOM 0 HE ARG A 56 2.570 -5.788 -11.929 1.00 3.06 H new ATOM 0 HH11 ARG A 56 4.407 -7.511 -14.428 1.00 4.73 H new ATOM 0 HH12 ARG A 56 3.221 -7.164 -15.690 1.00 4.73 H new ATOM 0 HH21 ARG A 56 1.033 -5.407 -13.496 1.00 5.67 H new ATOM 0 HH22 ARG A 56 1.287 -5.958 -15.155 1.00 5.67 H new ATOM 865 N ASP A 57 1.165 -7.125 -7.587 1.00 0.89 N ATOM 866 CA ASP A 57 -0.208 -7.335 -7.163 1.00 0.88 C ATOM 867 C ASP A 57 -0.661 -6.224 -6.220 1.00 0.78 C ATOM 868 O ASP A 57 -1.723 -5.633 -6.409 1.00 0.72 O ATOM 869 CB ASP A 57 -0.294 -8.723 -6.521 1.00 0.98 C ATOM 870 CG ASP A 57 0.179 -9.793 -7.498 1.00 3.29 C ATOM 871 OD1 ASP A 57 1.386 -9.734 -7.834 1.00 4.93 O ATOM 872 OD2 ASP A 57 -0.680 -10.582 -7.945 1.00 3.99 O ATOM 0 H ASP A 57 1.736 -7.963 -7.480 1.00 0.89 H new ATOM 0 HA ASP A 57 -0.886 -7.297 -8.016 1.00 0.88 H new ATOM 0 HB2 ASP A 57 0.316 -8.751 -5.618 1.00 0.98 H new ATOM 0 HB3 ASP A 57 -1.321 -8.927 -6.218 1.00 0.98 H new ATOM 877 N ILE A 58 0.162 -5.901 -5.223 1.00 0.77 N ATOM 878 CA ILE A 58 -0.094 -4.777 -4.335 1.00 0.70 C ATOM 879 C ILE A 58 -0.201 -3.482 -5.133 1.00 0.71 C ATOM 880 O ILE A 58 -1.216 -2.801 -5.028 1.00 0.72 O ATOM 881 CB ILE A 58 0.947 -4.747 -3.205 1.00 0.65 C ATOM 882 CG1 ILE A 58 0.668 -5.930 -2.263 1.00 0.63 C ATOM 883 CG2 ILE A 58 0.907 -3.428 -2.420 1.00 0.60 C ATOM 884 CD1 ILE A 58 1.906 -6.330 -1.465 1.00 0.83 C ATOM 0 H ILE A 58 1.020 -6.411 -5.012 1.00 0.77 H new ATOM 0 HA ILE A 58 -1.060 -4.896 -3.844 1.00 0.70 H new ATOM 0 HB ILE A 58 1.942 -4.826 -3.642 1.00 0.65 H new ATOM 0 HG12 ILE A 58 -0.136 -5.665 -1.576 1.00 0.63 H new ATOM 0 HG13 ILE A 58 0.321 -6.783 -2.846 1.00 0.63 H new ATOM 0 HG21 ILE A 58 1.659 -3.451 -1.631 1.00 0.60 H new ATOM 0 HG22 ILE A 58 1.113 -2.597 -3.094 1.00 0.60 H new ATOM 0 HG23 ILE A 58 -0.080 -3.299 -1.976 1.00 0.60 H new ATOM 0 HD11 ILE A 58 1.663 -7.169 -0.813 1.00 0.83 H new ATOM 0 HD12 ILE A 58 2.702 -6.621 -2.150 1.00 0.83 H new ATOM 0 HD13 ILE A 58 2.238 -5.486 -0.861 1.00 0.83 H new ATOM 896 N ILE A 59 0.792 -3.140 -5.954 1.00 0.71 N ATOM 897 CA ILE A 59 0.727 -1.937 -6.777 1.00 0.69 C ATOM 898 C ILE A 59 -0.580 -1.906 -7.595 1.00 0.66 C ATOM 899 O ILE A 59 -1.268 -0.887 -7.612 1.00 0.69 O ATOM 900 CB ILE A 59 2.018 -1.810 -7.614 1.00 0.73 C ATOM 901 CG1 ILE A 59 3.206 -1.491 -6.686 1.00 0.96 C ATOM 902 CG2 ILE A 59 1.888 -0.735 -8.701 1.00 0.87 C ATOM 903 CD1 ILE A 59 4.565 -1.746 -7.348 1.00 1.43 C ATOM 0 H ILE A 59 1.650 -3.680 -6.065 1.00 0.71 H new ATOM 0 HA ILE A 59 0.686 -1.046 -6.150 1.00 0.69 H new ATOM 0 HB ILE A 59 2.191 -2.762 -8.117 1.00 0.73 H new ATOM 0 HG12 ILE A 59 3.149 -0.448 -6.376 1.00 0.96 H new ATOM 0 HG13 ILE A 59 3.128 -2.096 -5.783 1.00 0.96 H new ATOM 0 HG21 ILE A 59 2.817 -0.677 -9.268 1.00 0.87 H new ATOM 0 HG22 ILE A 59 1.069 -0.993 -9.372 1.00 0.87 H new ATOM 0 HG23 ILE A 59 1.685 0.230 -8.236 1.00 0.87 H new ATOM 0 HD11 ILE A 59 5.363 -1.503 -6.646 1.00 1.43 H new ATOM 0 HD12 ILE A 59 4.639 -2.795 -7.634 1.00 1.43 H new ATOM 0 HD13 ILE A 59 4.660 -1.121 -8.236 1.00 1.43 H new ATOM 915 N HIS A 60 -0.958 -3.026 -8.222 1.00 0.65 N ATOM 916 CA HIS A 60 -2.213 -3.147 -8.961 1.00 0.68 C ATOM 917 C HIS A 60 -3.402 -2.856 -8.039 1.00 0.67 C ATOM 918 O HIS A 60 -4.334 -2.146 -8.407 1.00 0.69 O ATOM 919 CB HIS A 60 -2.386 -4.553 -9.562 1.00 0.83 C ATOM 920 CG HIS A 60 -1.239 -5.125 -10.359 1.00 1.67 C ATOM 921 ND1 HIS A 60 -1.023 -6.470 -10.550 1.00 3.70 N ATOM 922 CD2 HIS A 60 -0.288 -4.449 -11.081 1.00 1.63 C ATOM 923 CE1 HIS A 60 0.035 -6.602 -11.362 1.00 3.89 C ATOM 924 NE2 HIS A 60 0.525 -5.400 -11.722 1.00 2.48 N ATOM 0 H HIS A 60 -0.396 -3.877 -8.229 1.00 0.65 H new ATOM 0 HA HIS A 60 -2.180 -2.421 -9.773 1.00 0.68 H new ATOM 0 HB2 HIS A 60 -2.602 -5.242 -8.745 1.00 0.83 H new ATOM 0 HB3 HIS A 60 -3.265 -4.536 -10.206 1.00 0.83 H new ATOM 0 HD1 HIS A 60 -1.570 -7.230 -10.146 1.00 3.70 H new ATOM 0 HD2 HIS A 60 -0.183 -3.376 -11.145 1.00 1.63 H new ATOM 0 HE1 HIS A 60 0.442 -7.549 -11.686 1.00 3.89 H new ATOM 932 N THR A 61 -3.383 -3.419 -6.831 1.00 0.71 N ATOM 933 CA THR A 61 -4.440 -3.206 -5.857 1.00 0.79 C ATOM 934 C THR A 61 -4.541 -1.714 -5.525 1.00 0.77 C ATOM 935 O THR A 61 -5.612 -1.128 -5.652 1.00 0.79 O ATOM 936 CB THR A 61 -4.210 -4.090 -4.620 1.00 0.89 C ATOM 937 OG1 THR A 61 -4.104 -5.443 -5.014 1.00 1.01 O ATOM 938 CG2 THR A 61 -5.367 -3.987 -3.625 1.00 0.99 C ATOM 0 H THR A 61 -2.635 -4.032 -6.506 1.00 0.71 H new ATOM 0 HA THR A 61 -5.402 -3.505 -6.273 1.00 0.79 H new ATOM 0 HB THR A 61 -3.294 -3.742 -4.143 1.00 0.89 H new ATOM 0 HG1 THR A 61 -3.231 -5.594 -5.434 1.00 1.01 H new ATOM 0 HG21 THR A 61 -5.166 -4.626 -2.765 1.00 0.99 H new ATOM 0 HG22 THR A 61 -5.470 -2.954 -3.293 1.00 0.99 H new ATOM 0 HG23 THR A 61 -6.291 -4.307 -4.107 1.00 0.99 H new ATOM 946 N ILE A 62 -3.438 -1.085 -5.113 1.00 0.76 N ATOM 947 CA ILE A 62 -3.436 0.323 -4.736 1.00 0.78 C ATOM 948 C ILE A 62 -3.905 1.200 -5.902 1.00 0.69 C ATOM 949 O ILE A 62 -4.687 2.126 -5.687 1.00 0.72 O ATOM 950 CB ILE A 62 -2.062 0.748 -4.186 1.00 0.88 C ATOM 951 CG1 ILE A 62 -1.562 -0.131 -3.027 1.00 1.14 C ATOM 952 CG2 ILE A 62 -2.116 2.212 -3.730 1.00 0.92 C ATOM 953 CD1 ILE A 62 -2.602 -0.390 -1.945 1.00 1.33 C ATOM 0 H ILE A 62 -2.528 -1.538 -5.033 1.00 0.76 H new ATOM 0 HA ILE A 62 -4.151 0.467 -3.926 1.00 0.78 H new ATOM 0 HB ILE A 62 -1.352 0.622 -5.003 1.00 0.88 H new ATOM 0 HG12 ILE A 62 -1.227 -1.087 -3.429 1.00 1.14 H new ATOM 0 HG13 ILE A 62 -0.693 0.346 -2.573 1.00 1.14 H new ATOM 0 HG21 ILE A 62 -1.142 2.508 -3.342 1.00 0.92 H new ATOM 0 HG22 ILE A 62 -2.378 2.847 -4.576 1.00 0.92 H new ATOM 0 HG23 ILE A 62 -2.867 2.322 -2.948 1.00 0.92 H new ATOM 0 HD11 ILE A 62 -2.168 -1.017 -1.166 1.00 1.33 H new ATOM 0 HD12 ILE A 62 -2.920 0.558 -1.512 1.00 1.33 H new ATOM 0 HD13 ILE A 62 -3.463 -0.897 -2.381 1.00 1.33 H new ATOM 965 N GLU A 63 -3.451 0.905 -7.124 1.00 0.62 N ATOM 966 CA GLU A 63 -3.936 1.533 -8.333 1.00 0.61 C ATOM 967 C GLU A 63 -5.462 1.417 -8.390 1.00 0.65 C ATOM 968 O GLU A 63 -6.176 2.413 -8.269 1.00 0.77 O ATOM 969 CB GLU A 63 -3.195 0.864 -9.497 1.00 0.62 C ATOM 970 CG GLU A 63 -3.611 1.358 -10.878 1.00 0.69 C ATOM 971 CD GLU A 63 -4.881 0.688 -11.394 1.00 1.96 C ATOM 972 OE1 GLU A 63 -4.910 -0.562 -11.373 1.00 2.82 O ATOM 973 OE2 GLU A 63 -5.806 1.434 -11.777 1.00 3.17 O ATOM 0 H GLU A 63 -2.724 0.210 -7.292 1.00 0.62 H new ATOM 0 HA GLU A 63 -3.735 2.603 -8.378 1.00 0.61 H new ATOM 0 HB2 GLU A 63 -2.125 1.029 -9.373 1.00 0.62 H new ATOM 0 HB3 GLU A 63 -3.359 -0.212 -9.445 1.00 0.62 H new ATOM 0 HG2 GLU A 63 -3.765 2.436 -10.841 1.00 0.69 H new ATOM 0 HG3 GLU A 63 -2.799 1.176 -11.582 1.00 0.69 H new ATOM 980 N SER A 64 -5.945 0.179 -8.504 1.00 0.65 N ATOM 981 CA SER A 64 -7.348 -0.159 -8.688 1.00 0.72 C ATOM 982 C SER A 64 -8.245 0.448 -7.600 1.00 0.70 C ATOM 983 O SER A 64 -9.361 0.879 -7.884 1.00 0.73 O ATOM 984 CB SER A 64 -7.469 -1.683 -8.772 1.00 0.84 C ATOM 985 OG SER A 64 -8.794 -2.084 -9.061 1.00 1.10 O ATOM 0 H SER A 64 -5.343 -0.644 -8.469 1.00 0.65 H new ATOM 0 HA SER A 64 -7.707 0.280 -9.619 1.00 0.72 H new ATOM 0 HB2 SER A 64 -6.798 -2.060 -9.543 1.00 0.84 H new ATOM 0 HB3 SER A 64 -7.151 -2.127 -7.828 1.00 0.84 H new ATOM 0 HG SER A 64 -8.837 -3.062 -9.109 1.00 1.10 H new ATOM 991 N LEU A 65 -7.766 0.515 -6.351 1.00 0.68 N ATOM 992 CA LEU A 65 -8.498 1.132 -5.248 1.00 0.71 C ATOM 993 C LEU A 65 -8.755 2.631 -5.455 1.00 0.70 C ATOM 994 O LEU A 65 -9.574 3.196 -4.730 1.00 0.86 O ATOM 995 CB LEU A 65 -7.778 0.876 -3.915 1.00 0.76 C ATOM 996 CG LEU A 65 -7.860 -0.585 -3.440 1.00 1.29 C ATOM 997 CD1 LEU A 65 -6.887 -0.767 -2.270 1.00 2.25 C ATOM 998 CD2 LEU A 65 -9.264 -0.998 -2.980 1.00 1.56 C ATOM 0 H LEU A 65 -6.857 0.140 -6.081 1.00 0.68 H new ATOM 0 HA LEU A 65 -9.479 0.658 -5.220 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.730 1.157 -4.018 1.00 0.76 H new ATOM 0 HB3 LEU A 65 -8.208 1.522 -3.150 1.00 0.76 H new ATOM 0 HG LEU A 65 -7.604 -1.218 -4.290 1.00 1.29 H new ATOM 0 HD11 LEU A 65 -6.930 -1.798 -1.918 1.00 2.25 H new ATOM 0 HD12 LEU A 65 -5.874 -0.538 -2.600 1.00 2.25 H new ATOM 0 HD13 LEU A 65 -7.164 -0.095 -1.458 1.00 2.25 H new ATOM 0 HD21 LEU A 65 -9.250 -2.039 -2.659 1.00 1.56 H new ATOM 0 HD22 LEU A 65 -9.575 -0.366 -2.148 1.00 1.56 H new ATOM 0 HD23 LEU A 65 -9.966 -0.883 -3.806 1.00 1.56 H new ATOM 1010 N GLY A 66 -8.097 3.258 -6.432 1.00 0.65 N ATOM 1011 CA GLY A 66 -8.386 4.608 -6.888 1.00 0.68 C ATOM 1012 C GLY A 66 -7.308 5.584 -6.436 1.00 0.56 C ATOM 1013 O GLY A 66 -7.626 6.680 -5.980 1.00 0.64 O ATOM 0 H GLY A 66 -7.327 2.823 -6.939 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -8.458 4.620 -7.976 1.00 0.68 H new ATOM 0 HA3 GLY A 66 -9.354 4.926 -6.501 1.00 0.68 H new ATOM 1017 N PHE A 67 -6.037 5.194 -6.579 1.00 0.54 N ATOM 1018 CA PHE A 67 -4.895 6.027 -6.228 1.00 0.58 C ATOM 1019 C PHE A 67 -3.789 5.824 -7.266 1.00 0.68 C ATOM 1020 O PHE A 67 -3.913 4.959 -8.127 1.00 0.84 O ATOM 1021 CB PHE A 67 -4.401 5.647 -4.828 1.00 0.62 C ATOM 1022 CG PHE A 67 -5.458 5.621 -3.744 1.00 0.59 C ATOM 1023 CD1 PHE A 67 -5.984 6.827 -3.248 1.00 1.91 C ATOM 1024 CD2 PHE A 67 -5.939 4.394 -3.252 1.00 2.06 C ATOM 1025 CE1 PHE A 67 -6.960 6.811 -2.239 1.00 1.86 C ATOM 1026 CE2 PHE A 67 -6.919 4.376 -2.246 1.00 2.14 C ATOM 1027 CZ PHE A 67 -7.410 5.584 -1.722 1.00 0.67 C ATOM 0 H PHE A 67 -5.775 4.279 -6.947 1.00 0.54 H new ATOM 0 HA PHE A 67 -5.183 7.078 -6.222 1.00 0.58 H new ATOM 0 HB2 PHE A 67 -3.937 4.662 -4.881 1.00 0.62 H new ATOM 0 HB3 PHE A 67 -3.622 6.351 -4.534 1.00 0.62 H new ATOM 0 HD1 PHE A 67 -5.636 7.769 -3.645 1.00 1.91 H new ATOM 0 HD2 PHE A 67 -5.555 3.466 -3.648 1.00 2.06 H new ATOM 0 HE1 PHE A 67 -7.364 7.739 -1.861 1.00 1.86 H new ATOM 0 HE2 PHE A 67 -7.295 3.434 -1.875 1.00 2.14 H new ATOM 0 HZ PHE A 67 -8.134 5.569 -0.921 1.00 0.67 H new ATOM 1037 N GLU A 68 -2.704 6.600 -7.178 1.00 0.67 N ATOM 1038 CA GLU A 68 -1.597 6.558 -8.132 1.00 0.73 C ATOM 1039 C GLU A 68 -0.298 6.045 -7.491 1.00 0.72 C ATOM 1040 O GLU A 68 0.576 6.856 -7.187 1.00 0.90 O ATOM 1041 CB GLU A 68 -1.383 7.971 -8.695 1.00 0.82 C ATOM 1042 CG GLU A 68 -2.628 8.593 -9.344 1.00 2.04 C ATOM 1043 CD GLU A 68 -2.366 10.047 -9.713 1.00 2.93 C ATOM 1044 OE1 GLU A 68 -1.394 10.285 -10.465 1.00 3.21 O ATOM 1045 OE2 GLU A 68 -3.068 10.919 -9.162 1.00 4.10 O ATOM 0 H GLU A 68 -2.571 7.283 -6.432 1.00 0.67 H new ATOM 0 HA GLU A 68 -1.855 5.861 -8.929 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -1.045 8.622 -7.889 1.00 0.82 H new ATOM 0 HB3 GLU A 68 -0.582 7.937 -9.434 1.00 0.82 H new ATOM 0 HG2 GLU A 68 -2.901 8.029 -10.236 1.00 2.04 H new ATOM 0 HG3 GLU A 68 -3.472 8.532 -8.657 1.00 2.04 H new ATOM 1052 N PRO A 69 -0.135 4.732 -7.255 1.00 0.61 N ATOM 1053 CA PRO A 69 1.059 4.213 -6.606 1.00 0.68 C ATOM 1054 C PRO A 69 2.295 4.340 -7.498 1.00 0.80 C ATOM 1055 O PRO A 69 2.267 3.953 -8.664 1.00 1.40 O ATOM 1056 CB PRO A 69 0.753 2.749 -6.282 1.00 0.65 C ATOM 1057 CG PRO A 69 -0.283 2.361 -7.332 1.00 0.58 C ATOM 1058 CD PRO A 69 -1.070 3.657 -7.549 1.00 0.56 C ATOM 0 HA PRO A 69 1.293 4.782 -5.706 1.00 0.68 H new ATOM 0 HB2 PRO A 69 1.646 2.128 -6.350 1.00 0.65 H new ATOM 0 HB3 PRO A 69 0.362 2.635 -5.271 1.00 0.65 H new ATOM 0 HG2 PRO A 69 0.188 2.018 -8.253 1.00 0.58 H new ATOM 0 HG3 PRO A 69 -0.927 1.554 -6.983 1.00 0.58 H new ATOM 0 HD2 PRO A 69 -1.438 3.726 -8.573 1.00 0.56 H new ATOM 0 HD3 PRO A 69 -1.940 3.703 -6.893 1.00 0.56 H new ATOM 1066 N SER A 70 3.397 4.832 -6.927 1.00 0.74 N ATOM 1067 CA SER A 70 4.723 4.787 -7.521 1.00 0.91 C ATOM 1068 C SER A 70 5.724 4.448 -6.425 1.00 0.78 C ATOM 1069 O SER A 70 5.527 4.802 -5.263 1.00 0.89 O ATOM 1070 CB SER A 70 5.072 6.137 -8.156 1.00 1.28 C ATOM 1071 OG SER A 70 6.359 6.103 -8.753 1.00 2.83 O ATOM 0 H SER A 70 3.384 5.284 -6.013 1.00 0.74 H new ATOM 0 HA SER A 70 4.753 4.030 -8.305 1.00 0.91 H new ATOM 0 HB2 SER A 70 4.325 6.393 -8.908 1.00 1.28 H new ATOM 0 HB3 SER A 70 5.040 6.919 -7.397 1.00 1.28 H new ATOM 0 HG SER A 70 7.044 6.093 -8.053 1.00 2.83 H new ATOM 1077 N LEU A 71 6.830 3.812 -6.806 1.00 0.86 N ATOM 1078 CA LEU A 71 8.005 3.794 -5.954 1.00 1.05 C ATOM 1079 C LEU A 71 8.543 5.219 -5.873 1.00 1.31 C ATOM 1080 O LEU A 71 8.446 5.975 -6.840 1.00 1.94 O ATOM 1081 CB LEU A 71 9.066 2.836 -6.506 1.00 1.43 C ATOM 1082 CG LEU A 71 8.708 1.373 -6.206 1.00 1.81 C ATOM 1083 CD1 LEU A 71 9.453 0.446 -7.175 1.00 2.61 C ATOM 1084 CD2 LEU A 71 9.073 0.990 -4.764 1.00 3.26 C ATOM 0 H LEU A 71 6.932 3.310 -7.688 1.00 0.86 H new ATOM 0 HA LEU A 71 7.743 3.436 -4.958 1.00 1.05 H new ATOM 0 HB2 LEU A 71 9.160 2.976 -7.583 1.00 1.43 H new ATOM 0 HB3 LEU A 71 10.036 3.072 -6.068 1.00 1.43 H new ATOM 0 HG LEU A 71 7.631 1.262 -6.332 1.00 1.81 H new ATOM 0 HD11 LEU A 71 9.195 -0.591 -6.958 1.00 2.61 H new ATOM 0 HD12 LEU A 71 9.166 0.684 -8.199 1.00 2.61 H new ATOM 0 HD13 LEU A 71 10.528 0.585 -7.058 1.00 2.61 H new ATOM 0 HD21 LEU A 71 8.806 -0.052 -4.586 1.00 3.26 H new ATOM 0 HD22 LEU A 71 10.144 1.121 -4.613 1.00 3.26 H new ATOM 0 HD23 LEU A 71 8.528 1.628 -4.069 1.00 3.26 H new ATOM 1096 N VAL A 72 9.074 5.558 -4.699 1.00 1.53 N ATOM 1097 CA VAL A 72 9.731 6.822 -4.387 1.00 1.85 C ATOM 1098 C VAL A 72 10.850 6.464 -3.404 1.00 1.39 C ATOM 1099 O VAL A 72 12.000 6.280 -3.795 1.00 1.67 O ATOM 1100 CB VAL A 72 8.695 7.830 -3.830 1.00 2.85 C ATOM 1101 CG1 VAL A 72 9.323 9.116 -3.276 1.00 3.86 C ATOM 1102 CG2 VAL A 72 7.708 8.256 -4.926 1.00 4.00 C ATOM 0 H VAL A 72 9.055 4.924 -3.900 1.00 1.53 H new ATOM 0 HA VAL A 72 10.161 7.319 -5.257 1.00 1.85 H new ATOM 0 HB VAL A 72 8.199 7.300 -3.017 1.00 2.85 H new ATOM 0 HG11 VAL A 72 8.537 9.774 -2.904 1.00 3.86 H new ATOM 0 HG12 VAL A 72 10.004 8.867 -2.462 1.00 3.86 H new ATOM 0 HG13 VAL A 72 9.875 9.622 -4.068 1.00 3.86 H new ATOM 0 HG21 VAL A 72 6.989 8.964 -4.513 1.00 4.00 H new ATOM 0 HG22 VAL A 72 8.253 8.728 -5.743 1.00 4.00 H new ATOM 0 HG23 VAL A 72 7.180 7.379 -5.301 1.00 4.00 H new ATOM 1112 N LYS A 73 10.490 6.235 -2.134 1.00 1.95 N ATOM 1113 CA LYS A 73 11.407 5.900 -1.050 1.00 2.68 C ATOM 1114 C LYS A 73 12.379 7.048 -0.756 1.00 3.17 C ATOM 1115 O LYS A 73 12.245 7.709 0.271 1.00 4.10 O ATOM 1116 CB LYS A 73 12.128 4.562 -1.299 1.00 3.00 C ATOM 1117 CG LYS A 73 11.124 3.421 -1.512 1.00 3.97 C ATOM 1118 CD LYS A 73 11.790 2.088 -1.877 1.00 4.76 C ATOM 1119 CE LYS A 73 12.751 1.598 -0.783 1.00 5.84 C ATOM 1120 NZ LYS A 73 13.251 0.234 -1.054 1.00 6.74 N ATOM 0 H LYS A 73 9.518 6.281 -1.829 1.00 1.95 H new ATOM 0 HA LYS A 73 10.809 5.761 -0.150 1.00 2.68 H new ATOM 0 HB2 LYS A 73 12.773 4.651 -2.174 1.00 3.00 H new ATOM 0 HB3 LYS A 73 12.772 4.330 -0.451 1.00 3.00 H new ATOM 0 HG2 LYS A 73 10.536 3.289 -0.604 1.00 3.97 H new ATOM 0 HG3 LYS A 73 10.429 3.701 -2.304 1.00 3.97 H new ATOM 0 HD2 LYS A 73 11.021 1.334 -2.046 1.00 4.76 H new ATOM 0 HD3 LYS A 73 12.336 2.202 -2.813 1.00 4.76 H new ATOM 0 HE2 LYS A 73 13.594 2.285 -0.707 1.00 5.84 H new ATOM 0 HE3 LYS A 73 12.241 1.612 0.180 1.00 5.84 H new ATOM 0 HZ1 LYS A 73 13.896 -0.057 -0.292 1.00 6.74 H new ATOM 0 HZ2 LYS A 73 12.449 -0.427 -1.101 1.00 6.74 H new ATOM 0 HZ3 LYS A 73 13.760 0.225 -1.961 1.00 6.74 H new ATOM 1134 N ILE A 74 13.356 7.272 -1.638 1.00 3.23 N ATOM 1135 CA ILE A 74 14.403 8.276 -1.488 1.00 4.17 C ATOM 1136 C ILE A 74 14.155 9.356 -2.543 1.00 4.89 C ATOM 1137 O ILE A 74 14.951 9.527 -3.464 1.00 5.46 O ATOM 1138 CB ILE A 74 15.795 7.615 -1.598 1.00 4.62 C ATOM 1139 CG1 ILE A 74 15.939 6.348 -0.729 1.00 5.12 C ATOM 1140 CG2 ILE A 74 16.913 8.611 -1.247 1.00 5.77 C ATOM 1141 CD1 ILE A 74 15.763 6.586 0.776 1.00 6.16 C ATOM 0 H ILE A 74 13.440 6.740 -2.504 1.00 3.23 H new ATOM 0 HA ILE A 74 14.379 8.744 -0.504 1.00 4.17 H new ATOM 0 HB ILE A 74 15.892 7.308 -2.639 1.00 4.62 H new ATOM 0 HG12 ILE A 74 15.204 5.613 -1.056 1.00 5.12 H new ATOM 0 HG13 ILE A 74 16.923 5.913 -0.903 1.00 5.12 H new ATOM 0 HG21 ILE A 74 17.881 8.117 -1.333 1.00 5.77 H new ATOM 0 HG22 ILE A 74 16.875 9.457 -1.933 1.00 5.77 H new ATOM 0 HG23 ILE A 74 16.777 8.966 -0.225 1.00 5.77 H new ATOM 0 HD11 ILE A 74 15.880 5.643 1.310 1.00 6.16 H new ATOM 0 HD12 ILE A 74 16.515 7.295 1.123 1.00 6.16 H new ATOM 0 HD13 ILE A 74 14.769 6.990 0.967 1.00 6.16 H new ATOM 1153 N GLU A 75 13.033 10.064 -2.381 1.00 5.72 N ATOM 1154 CA GLU A 75 12.532 11.050 -3.329 1.00 7.05 C ATOM 1155 C GLU A 75 12.353 10.426 -4.722 1.00 7.40 C ATOM 1156 O GLU A 75 12.470 11.176 -5.716 1.00 8.43 O ATOM 1157 CB GLU A 75 13.417 12.308 -3.320 1.00 7.86 C ATOM 1158 CG GLU A 75 13.553 12.898 -1.905 1.00 8.54 C ATOM 1159 CD GLU A 75 14.328 14.209 -1.917 1.00 9.81 C ATOM 1160 OE1 GLU A 75 13.700 15.236 -2.252 1.00 10.95 O ATOM 1161 OE2 GLU A 75 15.531 14.163 -1.578 1.00 10.01 O ATOM 1162 OXT GLU A 75 12.047 9.212 -4.765 1.00 7.21 O ATOM 0 H GLU A 75 12.435 9.960 -1.561 1.00 5.72 H new ATOM 0 HA GLU A 75 11.539 11.378 -3.020 1.00 7.05 H new ATOM 0 HB2 GLU A 75 14.405 12.061 -3.708 1.00 7.86 H new ATOM 0 HB3 GLU A 75 12.991 13.057 -3.987 1.00 7.86 H new ATOM 0 HG2 GLU A 75 12.562 13.064 -1.483 1.00 8.54 H new ATOM 0 HG3 GLU A 75 14.059 12.181 -1.258 1.00 8.54 H new TER 1169 GLU A 75