USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 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 71 ASN : amide:sc= -0.0814 K(o=-0.34,f=-2.5!) USER MOD Set 1.2: A 72 ASN : amide:sc= -0.257 K(o=-0.34,f=-2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -1:sc= 0.36 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -69:sc= 0.261 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 112:sc= 1.23 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= -0.122 (180deg=-0.529) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00486 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -51:sc= 0.953 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= 0.277 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00405) USER MOD Single : A 52 GLN : amide:sc= 0.35 K(o=0.35,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 136:sc= -0.509 (180deg=-2.37!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -25:sc= 0.469 USER MOD Single : A 68 ASN : amide:sc= -1.59! C(o=-1.6!,f=-8.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -5.297 -7.085 12.747 1.00 51.43 N ATOM 2 CA GLY A 2 -4.343 -7.806 11.946 1.00 21.33 C ATOM 3 C GLY A 2 -4.110 -9.209 12.433 1.00 44.32 C ATOM 4 O GLY A 2 -2.993 -9.571 12.762 1.00 15.51 O ATOM 0 HA2 GLY A 2 -4.694 -7.839 10.914 1.00 21.33 H new ATOM 0 HA3 GLY A 2 -3.396 -7.266 11.944 1.00 21.33 H new ATOM 8 N SER A 3 -5.155 -9.993 12.488 1.00 44.13 N ATOM 9 CA SER A 3 -5.039 -11.378 12.893 1.00 24.12 C ATOM 10 C SER A 3 -5.802 -12.240 11.893 1.00 34.31 C ATOM 11 O SER A 3 -5.212 -13.073 11.178 1.00 24.33 O ATOM 12 CB SER A 3 -5.573 -11.567 14.324 1.00 3.04 C ATOM 13 OG SER A 3 -5.417 -12.908 14.763 1.00 45.45 O ATOM 0 H SER A 3 -6.104 -9.698 12.257 1.00 44.13 H new ATOM 0 HA SER A 3 -3.992 -11.681 12.899 1.00 24.12 H new ATOM 0 HB2 SER A 3 -5.045 -10.897 15.002 1.00 3.04 H new ATOM 0 HB3 SER A 3 -6.627 -11.291 14.360 1.00 3.04 H new ATOM 0 HG SER A 3 -5.764 -12.996 15.675 1.00 45.45 H new ATOM 19 N GLU A 4 -7.090 -12.026 11.832 1.00 63.24 N ATOM 20 CA GLU A 4 -7.945 -12.661 10.866 1.00 73.02 C ATOM 21 C GLU A 4 -8.250 -11.620 9.804 1.00 1.34 C ATOM 22 O GLU A 4 -7.724 -10.497 9.878 1.00 73.11 O ATOM 23 CB GLU A 4 -9.230 -13.157 11.542 1.00 53.50 C ATOM 24 CG GLU A 4 -8.986 -14.222 12.605 1.00 22.21 C ATOM 25 CD GLU A 4 -10.250 -14.655 13.311 1.00 63.42 C ATOM 26 OE1 GLU A 4 -10.614 -14.021 14.328 1.00 4.40 O ATOM 27 OE2 GLU A 4 -10.898 -15.626 12.866 1.00 12.30 O ATOM 0 H GLU A 4 -7.582 -11.394 12.464 1.00 63.24 H new ATOM 0 HA GLU A 4 -7.465 -13.531 10.419 1.00 73.02 H new ATOM 0 HB2 GLU A 4 -9.741 -12.310 11.999 1.00 53.50 H new ATOM 0 HB3 GLU A 4 -9.899 -13.560 10.782 1.00 53.50 H new ATOM 0 HG2 GLU A 4 -8.521 -15.091 12.140 1.00 22.21 H new ATOM 0 HG3 GLU A 4 -8.279 -13.838 13.341 1.00 22.21 H new ATOM 34 N VAL A 5 -9.047 -11.938 8.834 1.00 14.01 N ATOM 35 CA VAL A 5 -9.346 -10.969 7.815 1.00 61.34 C ATOM 36 C VAL A 5 -10.846 -10.725 7.694 1.00 45.03 C ATOM 37 O VAL A 5 -11.650 -11.663 7.610 1.00 63.12 O ATOM 38 CB VAL A 5 -8.694 -11.320 6.432 1.00 25.55 C ATOM 39 CG1 VAL A 5 -9.180 -12.649 5.886 1.00 61.33 C ATOM 40 CG2 VAL A 5 -8.908 -10.200 5.419 1.00 13.33 C ATOM 0 H VAL A 5 -9.499 -12.845 8.721 1.00 14.01 H new ATOM 0 HA VAL A 5 -8.889 -10.033 8.135 1.00 61.34 H new ATOM 0 HB VAL A 5 -7.623 -11.420 6.606 1.00 25.55 H new ATOM 0 HG11 VAL A 5 -8.700 -12.846 4.928 1.00 61.33 H new ATOM 0 HG12 VAL A 5 -8.929 -13.444 6.588 1.00 61.33 H new ATOM 0 HG13 VAL A 5 -10.261 -12.613 5.749 1.00 61.33 H new ATOM 0 HG21 VAL A 5 -8.445 -10.473 4.471 1.00 13.33 H new ATOM 0 HG22 VAL A 5 -9.976 -10.044 5.269 1.00 13.33 H new ATOM 0 HG23 VAL A 5 -8.456 -9.281 5.792 1.00 13.33 H new ATOM 50 N SER A 6 -11.215 -9.477 7.749 1.00 4.14 N ATOM 51 CA SER A 6 -12.577 -9.040 7.609 1.00 65.44 C ATOM 52 C SER A 6 -12.556 -7.619 7.065 1.00 14.14 C ATOM 53 O SER A 6 -11.474 -6.975 7.078 1.00 23.13 O ATOM 54 CB SER A 6 -13.308 -9.108 8.959 1.00 44.22 C ATOM 55 OG SER A 6 -13.331 -10.456 9.460 1.00 62.51 O ATOM 0 H SER A 6 -10.557 -8.712 7.897 1.00 4.14 H new ATOM 0 HA SER A 6 -13.117 -9.691 6.921 1.00 65.44 H new ATOM 0 HB2 SER A 6 -12.813 -8.456 9.679 1.00 44.22 H new ATOM 0 HB3 SER A 6 -14.328 -8.740 8.844 1.00 44.22 H new ATOM 0 HG SER A 6 -12.889 -11.051 8.819 1.00 62.51 H new ATOM 61 N ASP A 7 -13.718 -7.136 6.595 1.00 42.11 N ATOM 62 CA ASP A 7 -13.872 -5.797 5.975 1.00 35.33 C ATOM 63 C ASP A 7 -13.278 -5.763 4.580 1.00 50.32 C ATOM 64 O ASP A 7 -12.256 -6.412 4.307 1.00 50.20 O ATOM 65 CB ASP A 7 -13.269 -4.647 6.826 1.00 24.13 C ATOM 66 CG ASP A 7 -13.996 -4.355 8.119 1.00 44.31 C ATOM 67 OD1 ASP A 7 -13.725 -5.023 9.141 1.00 4.24 O ATOM 68 OD2 ASP A 7 -14.835 -3.407 8.147 1.00 55.20 O ATOM 0 H ASP A 7 -14.589 -7.665 6.632 1.00 42.11 H new ATOM 0 HA ASP A 7 -14.947 -5.627 5.919 1.00 35.33 H new ATOM 0 HB2 ASP A 7 -12.233 -4.893 7.058 1.00 24.13 H new ATOM 0 HB3 ASP A 7 -13.254 -3.739 6.223 1.00 24.13 H new ATOM 73 N LYS A 8 -13.919 -5.033 3.685 1.00 75.45 N ATOM 74 CA LYS A 8 -13.412 -4.871 2.358 1.00 62.32 C ATOM 75 C LYS A 8 -12.191 -3.958 2.497 1.00 74.34 C ATOM 76 O LYS A 8 -11.093 -4.278 2.045 1.00 52.41 O ATOM 77 CB LYS A 8 -14.517 -4.249 1.470 1.00 11.24 C ATOM 78 CG LYS A 8 -14.327 -4.374 -0.004 1.00 14.05 C ATOM 79 CD LYS A 8 -13.151 -3.616 -0.499 1.00 75.13 C ATOM 80 CE LYS A 8 -13.101 -3.750 -1.958 1.00 50.23 C ATOM 81 NZ LYS A 8 -11.951 -3.055 -2.554 1.00 55.11 N ATOM 0 H LYS A 8 -14.796 -4.545 3.867 1.00 75.45 H new ATOM 0 HA LYS A 8 -13.125 -5.810 1.885 1.00 62.32 H new ATOM 0 HB2 LYS A 8 -15.468 -4.712 1.733 1.00 11.24 H new ATOM 0 HB3 LYS A 8 -14.598 -3.190 1.716 1.00 11.24 H new ATOM 0 HG2 LYS A 8 -14.210 -5.426 -0.263 1.00 14.05 H new ATOM 0 HG3 LYS A 8 -15.223 -4.018 -0.513 1.00 14.05 H new ATOM 0 HD2 LYS A 8 -13.229 -2.566 -0.216 1.00 75.13 H new ATOM 0 HD3 LYS A 8 -12.235 -4.000 -0.050 1.00 75.13 H new ATOM 0 HE2 LYS A 8 -13.057 -4.807 -2.220 1.00 50.23 H new ATOM 0 HE3 LYS A 8 -14.021 -3.354 -2.387 1.00 50.23 H new ATOM 0 HZ1 LYS A 8 -11.965 -3.183 -3.586 1.00 55.11 H new ATOM 0 HZ2 LYS A 8 -12.004 -2.041 -2.330 1.00 55.11 H new ATOM 0 HZ3 LYS A 8 -11.069 -3.449 -2.168 1.00 55.11 H new ATOM 95 N ARG A 9 -12.400 -2.832 3.134 1.00 31.33 N ATOM 96 CA ARG A 9 -11.320 -1.973 3.517 1.00 52.12 C ATOM 97 C ARG A 9 -11.053 -2.238 4.973 1.00 21.44 C ATOM 98 O ARG A 9 -11.779 -1.749 5.841 1.00 5.33 O ATOM 99 CB ARG A 9 -11.665 -0.499 3.325 1.00 14.14 C ATOM 100 CG ARG A 9 -11.981 -0.099 1.900 1.00 32.52 C ATOM 101 CD ARG A 9 -12.361 1.361 1.834 1.00 22.55 C ATOM 102 NE ARG A 9 -13.544 1.654 2.665 1.00 74.14 N ATOM 103 CZ ARG A 9 -13.930 2.883 3.036 1.00 14.40 C ATOM 104 NH1 ARG A 9 -13.219 3.942 2.668 1.00 32.25 N ATOM 105 NH2 ARG A 9 -15.016 3.044 3.786 1.00 70.35 N ATOM 0 H ARG A 9 -13.324 -2.491 3.399 1.00 31.33 H new ATOM 0 HA ARG A 9 -10.450 -2.179 2.894 1.00 52.12 H new ATOM 0 HB2 ARG A 9 -12.522 -0.257 3.954 1.00 14.14 H new ATOM 0 HB3 ARG A 9 -10.829 0.104 3.679 1.00 14.14 H new ATOM 0 HG2 ARG A 9 -11.116 -0.285 1.263 1.00 32.52 H new ATOM 0 HG3 ARG A 9 -12.797 -0.711 1.516 1.00 32.52 H new ATOM 0 HD2 ARG A 9 -11.522 1.971 2.168 1.00 22.55 H new ATOM 0 HD3 ARG A 9 -12.565 1.638 0.800 1.00 22.55 H new ATOM 0 HE ARG A 9 -14.109 0.865 2.980 1.00 74.14 H new ATOM 0 HH11 ARG A 9 -12.379 3.821 2.103 1.00 32.25 H new ATOM 0 HH12 ARG A 9 -13.513 4.877 2.950 1.00 32.25 H new ATOM 0 HH21 ARG A 9 -15.558 2.231 4.080 1.00 70.35 H new ATOM 0 HH22 ARG A 9 -15.308 3.980 4.067 1.00 70.35 H new ATOM 119 N THR A 10 -10.075 -3.064 5.235 1.00 13.10 N ATOM 120 CA THR A 10 -9.724 -3.465 6.581 1.00 34.35 C ATOM 121 C THR A 10 -9.270 -2.262 7.445 1.00 70.53 C ATOM 122 O THR A 10 -9.414 -2.266 8.670 1.00 43.12 O ATOM 123 CB THR A 10 -8.643 -4.554 6.513 1.00 32.31 C ATOM 124 OG1 THR A 10 -9.123 -5.605 5.654 1.00 5.21 O ATOM 125 CG2 THR A 10 -8.350 -5.140 7.878 1.00 13.43 C ATOM 0 H THR A 10 -9.489 -3.485 4.514 1.00 13.10 H new ATOM 0 HA THR A 10 -10.610 -3.870 7.070 1.00 34.35 H new ATOM 0 HB THR A 10 -7.723 -4.109 6.132 1.00 32.31 H new ATOM 0 HG1 THR A 10 -9.865 -6.072 6.092 1.00 5.21 H new ATOM 0 HG21 THR A 10 -7.580 -5.906 7.787 1.00 13.43 H new ATOM 0 HG22 THR A 10 -8.000 -4.352 8.545 1.00 13.43 H new ATOM 0 HG23 THR A 10 -9.258 -5.584 8.286 1.00 13.43 H new ATOM 133 N CYS A 11 -8.763 -1.235 6.806 1.00 52.12 N ATOM 134 CA CYS A 11 -8.365 -0.057 7.514 1.00 51.13 C ATOM 135 C CYS A 11 -8.699 1.160 6.685 1.00 64.41 C ATOM 136 O CYS A 11 -8.598 1.122 5.457 1.00 11.24 O ATOM 137 CB CYS A 11 -6.867 -0.092 7.839 1.00 30.12 C ATOM 138 SG CYS A 11 -6.283 1.350 8.802 1.00 63.41 S ATOM 0 H CYS A 11 -8.619 -1.198 5.797 1.00 52.12 H new ATOM 0 HA CYS A 11 -8.907 -0.011 8.458 1.00 51.13 H new ATOM 0 HB2 CYS A 11 -6.648 -1.002 8.397 1.00 30.12 H new ATOM 0 HB3 CYS A 11 -6.304 -0.146 6.907 1.00 30.12 H new ATOM 143 N VAL A 12 -9.110 2.214 7.349 1.00 34.54 N ATOM 144 CA VAL A 12 -9.476 3.464 6.704 1.00 32.51 C ATOM 145 C VAL A 12 -8.738 4.635 7.307 1.00 63.10 C ATOM 146 O VAL A 12 -8.965 5.788 6.940 1.00 42.35 O ATOM 147 CB VAL A 12 -10.981 3.741 6.800 1.00 70.31 C ATOM 148 CG1 VAL A 12 -11.764 2.752 5.954 1.00 11.20 C ATOM 149 CG2 VAL A 12 -11.451 3.672 8.251 1.00 71.22 C ATOM 0 H VAL A 12 -9.203 2.234 8.365 1.00 34.54 H new ATOM 0 HA VAL A 12 -9.197 3.353 5.656 1.00 32.51 H new ATOM 0 HB VAL A 12 -11.162 4.747 6.421 1.00 70.31 H new ATOM 0 HG11 VAL A 12 -12.830 2.966 6.036 1.00 11.20 H new ATOM 0 HG12 VAL A 12 -11.456 2.840 4.912 1.00 11.20 H new ATOM 0 HG13 VAL A 12 -11.570 1.739 6.305 1.00 11.20 H new ATOM 0 HG21 VAL A 12 -12.522 3.872 8.297 1.00 71.22 H new ATOM 0 HG22 VAL A 12 -11.250 2.679 8.652 1.00 71.22 H new ATOM 0 HG23 VAL A 12 -10.918 4.417 8.842 1.00 71.22 H new ATOM 159 N SER A 13 -7.885 4.351 8.230 1.00 74.45 N ATOM 160 CA SER A 13 -7.113 5.362 8.869 1.00 20.43 C ATOM 161 C SER A 13 -5.825 5.563 8.089 1.00 52.31 C ATOM 162 O SER A 13 -5.270 4.623 7.558 1.00 31.44 O ATOM 163 CB SER A 13 -6.825 4.924 10.274 1.00 25.20 C ATOM 164 OG SER A 13 -8.039 4.685 10.986 1.00 22.12 O ATOM 0 H SER A 13 -7.702 3.405 8.565 1.00 74.45 H new ATOM 0 HA SER A 13 -7.654 6.308 8.897 1.00 20.43 H new ATOM 0 HB2 SER A 13 -6.220 4.017 10.261 1.00 25.20 H new ATOM 0 HB3 SER A 13 -6.241 5.689 10.786 1.00 25.20 H new ATOM 0 HG SER A 13 -7.831 4.399 11.900 1.00 22.12 H new ATOM 170 N LEU A 14 -5.369 6.764 7.987 1.00 13.34 N ATOM 171 CA LEU A 14 -4.200 7.018 7.213 1.00 40.15 C ATOM 172 C LEU A 14 -2.984 7.192 8.070 1.00 74.44 C ATOM 173 O LEU A 14 -2.800 8.216 8.736 1.00 11.10 O ATOM 174 CB LEU A 14 -4.391 8.188 6.255 1.00 2.40 C ATOM 175 CG LEU A 14 -5.514 8.022 5.217 1.00 12.04 C ATOM 176 CD1 LEU A 14 -6.887 8.093 5.822 1.00 63.05 C ATOM 177 CD2 LEU A 14 -5.365 8.959 4.060 1.00 32.11 C ATOM 0 H LEU A 14 -5.785 7.584 8.428 1.00 13.34 H new ATOM 0 HA LEU A 14 -4.032 6.132 6.601 1.00 40.15 H new ATOM 0 HB2 LEU A 14 -4.592 9.085 6.841 1.00 2.40 H new ATOM 0 HB3 LEU A 14 -3.453 8.357 5.725 1.00 2.40 H new ATOM 0 HG LEU A 14 -5.405 7.011 4.823 1.00 12.04 H new ATOM 0 HD11 LEU A 14 -7.636 7.969 5.040 1.00 63.05 H new ATOM 0 HD12 LEU A 14 -7.000 7.300 6.562 1.00 63.05 H new ATOM 0 HD13 LEU A 14 -7.023 9.061 6.304 1.00 63.05 H new ATOM 0 HD21 LEU A 14 -6.182 8.801 3.356 1.00 32.11 H new ATOM 0 HD22 LEU A 14 -5.389 9.988 4.419 1.00 32.11 H new ATOM 0 HD23 LEU A 14 -4.415 8.771 3.560 1.00 32.11 H new ATOM 189 N THR A 15 -2.171 6.176 8.065 1.00 14.53 N ATOM 190 CA THR A 15 -0.962 6.145 8.786 1.00 4.43 C ATOM 191 C THR A 15 -0.007 7.213 8.250 1.00 73.03 C ATOM 192 O THR A 15 0.396 7.185 7.082 1.00 73.21 O ATOM 193 CB THR A 15 -0.357 4.742 8.673 1.00 61.34 C ATOM 194 OG1 THR A 15 -1.312 3.780 9.176 1.00 14.04 O ATOM 195 CG2 THR A 15 0.900 4.626 9.453 1.00 4.14 C ATOM 0 H THR A 15 -2.351 5.323 7.535 1.00 14.53 H new ATOM 0 HA THR A 15 -1.142 6.365 9.838 1.00 4.43 H new ATOM 0 HB THR A 15 -0.127 4.551 7.625 1.00 61.34 H new ATOM 0 HG1 THR A 15 -1.645 3.232 8.435 1.00 14.04 H new ATOM 0 HG21 THR A 15 1.301 3.618 9.349 1.00 4.14 H new ATOM 0 HG22 THR A 15 1.628 5.346 9.079 1.00 4.14 H new ATOM 0 HG23 THR A 15 0.696 4.829 10.504 1.00 4.14 H new ATOM 203 N THR A 16 0.289 8.171 9.095 1.00 44.14 N ATOM 204 CA THR A 16 1.167 9.249 8.764 1.00 70.04 C ATOM 205 C THR A 16 2.604 8.896 9.206 1.00 24.32 C ATOM 206 O THR A 16 3.588 9.521 8.763 1.00 50.31 O ATOM 207 CB THR A 16 0.660 10.544 9.446 1.00 34.21 C ATOM 208 OG1 THR A 16 -0.722 10.725 9.070 1.00 62.20 O ATOM 209 CG2 THR A 16 1.453 11.767 8.996 1.00 31.21 C ATOM 0 H THR A 16 -0.083 8.217 10.044 1.00 44.14 H new ATOM 0 HA THR A 16 1.180 9.414 7.687 1.00 70.04 H new ATOM 0 HB THR A 16 0.779 10.445 10.525 1.00 34.21 H new ATOM 0 HG1 THR A 16 -1.071 11.539 9.490 1.00 62.20 H new ATOM 0 HG21 THR A 16 1.067 12.655 9.496 1.00 31.21 H new ATOM 0 HG22 THR A 16 2.504 11.634 9.252 1.00 31.21 H new ATOM 0 HG23 THR A 16 1.355 11.887 7.917 1.00 31.21 H new ATOM 217 N GLN A 17 2.717 7.873 10.064 1.00 24.22 N ATOM 218 CA GLN A 17 4.025 7.387 10.480 1.00 24.23 C ATOM 219 C GLN A 17 4.599 6.509 9.376 1.00 62.14 C ATOM 220 O GLN A 17 3.873 6.099 8.469 1.00 4.50 O ATOM 221 CB GLN A 17 3.971 6.648 11.832 1.00 2.42 C ATOM 222 CG GLN A 17 3.096 5.415 11.858 1.00 11.55 C ATOM 223 CD GLN A 17 3.066 4.750 13.217 1.00 11.14 C ATOM 224 OE1 GLN A 17 3.202 5.400 14.245 1.00 60.12 O ATOM 225 NE2 GLN A 17 2.877 3.465 13.235 1.00 51.42 N ATOM 0 H GLN A 17 1.926 7.377 10.475 1.00 24.22 H new ATOM 0 HA GLN A 17 4.683 8.241 10.638 1.00 24.23 H new ATOM 0 HB2 GLN A 17 4.985 6.360 12.111 1.00 2.42 H new ATOM 0 HB3 GLN A 17 3.615 7.342 12.593 1.00 2.42 H new ATOM 0 HG2 GLN A 17 2.081 5.688 11.569 1.00 11.55 H new ATOM 0 HG3 GLN A 17 3.457 4.702 11.117 1.00 11.55 H new ATOM 0 HE21 GLN A 17 2.767 2.953 12.359 1.00 51.42 H new ATOM 0 HE22 GLN A 17 2.838 2.968 14.125 1.00 51.42 H new ATOM 234 N ARG A 18 5.871 6.212 9.441 1.00 22.20 N ATOM 235 CA ARG A 18 6.511 5.518 8.345 1.00 23.10 C ATOM 236 C ARG A 18 6.834 4.066 8.660 1.00 71.54 C ATOM 237 O ARG A 18 6.990 3.679 9.823 1.00 22.12 O ATOM 238 CB ARG A 18 7.769 6.251 7.919 1.00 5.04 C ATOM 239 CG ARG A 18 7.530 7.702 7.585 1.00 22.45 C ATOM 240 CD ARG A 18 8.755 8.342 6.997 1.00 71.31 C ATOM 241 NE ARG A 18 9.894 8.346 7.927 1.00 61.24 N ATOM 242 CZ ARG A 18 11.029 9.035 7.738 1.00 42.43 C ATOM 243 NH1 ARG A 18 11.177 9.808 6.660 1.00 13.24 N ATOM 244 NH2 ARG A 18 12.011 8.961 8.629 1.00 65.10 N ATOM 0 H ARG A 18 6.480 6.434 10.228 1.00 22.20 H new ATOM 0 HA ARG A 18 5.793 5.508 7.525 1.00 23.10 H new ATOM 0 HB2 ARG A 18 8.507 6.186 8.718 1.00 5.04 H new ATOM 0 HB3 ARG A 18 8.196 5.751 7.050 1.00 5.04 H new ATOM 0 HG2 ARG A 18 6.703 7.782 6.880 1.00 22.45 H new ATOM 0 HG3 ARG A 18 7.234 8.240 8.486 1.00 22.45 H new ATOM 0 HD2 ARG A 18 9.036 7.812 6.087 1.00 71.31 H new ATOM 0 HD3 ARG A 18 8.522 9.367 6.710 1.00 71.31 H new ATOM 0 HE ARG A 18 9.815 7.785 8.775 1.00 61.24 H new ATOM 0 HH11 ARG A 18 10.425 9.877 5.975 1.00 13.24 H new ATOM 0 HH12 ARG A 18 12.042 10.330 6.522 1.00 13.24 H new ATOM 0 HH21 ARG A 18 11.903 8.379 9.460 1.00 65.10 H new ATOM 0 HH22 ARG A 18 12.873 9.486 8.483 1.00 65.10 H new ATOM 258 N LEU A 19 6.932 3.279 7.606 1.00 54.32 N ATOM 259 CA LEU A 19 7.279 1.863 7.660 1.00 31.14 C ATOM 260 C LEU A 19 8.495 1.638 6.777 1.00 71.40 C ATOM 261 O LEU A 19 8.802 2.493 5.937 1.00 42.12 O ATOM 262 CB LEU A 19 6.125 0.964 7.114 1.00 74.33 C ATOM 263 CG LEU A 19 4.843 0.772 7.948 1.00 13.23 C ATOM 264 CD1 LEU A 19 4.059 2.063 8.149 1.00 71.10 C ATOM 265 CD2 LEU A 19 3.973 -0.293 7.306 1.00 44.01 C ATOM 0 H LEU A 19 6.768 3.613 6.656 1.00 54.32 H new ATOM 0 HA LEU A 19 7.469 1.598 8.700 1.00 31.14 H new ATOM 0 HB2 LEU A 19 5.826 1.370 6.147 1.00 74.33 H new ATOM 0 HB3 LEU A 19 6.543 -0.025 6.929 1.00 74.33 H new ATOM 0 HG LEU A 19 5.149 0.449 8.943 1.00 13.23 H new ATOM 0 HD11 LEU A 19 3.169 1.859 8.744 1.00 71.10 H new ATOM 0 HD12 LEU A 19 4.683 2.791 8.668 1.00 71.10 H new ATOM 0 HD13 LEU A 19 3.764 2.464 7.179 1.00 71.10 H new ATOM 0 HD21 LEU A 19 3.067 -0.428 7.897 1.00 44.01 H new ATOM 0 HD22 LEU A 19 3.705 0.017 6.296 1.00 44.01 H new ATOM 0 HD23 LEU A 19 4.522 -1.234 7.264 1.00 44.01 H new ATOM 277 N PRO A 20 9.231 0.515 6.953 1.00 0.14 N ATOM 278 CA PRO A 20 10.314 0.166 6.046 1.00 55.14 C ATOM 279 C PRO A 20 9.745 -0.135 4.670 1.00 63.40 C ATOM 280 O PRO A 20 8.869 -1.000 4.528 1.00 55.21 O ATOM 281 CB PRO A 20 10.942 -1.099 6.636 1.00 71.13 C ATOM 282 CG PRO A 20 10.315 -1.300 7.973 1.00 61.13 C ATOM 283 CD PRO A 20 9.069 -0.461 8.036 1.00 44.41 C ATOM 0 HA PRO A 20 11.041 0.971 5.940 1.00 55.14 H new ATOM 0 HB2 PRO A 20 10.762 -1.959 5.990 1.00 71.13 H new ATOM 0 HB3 PRO A 20 12.023 -0.989 6.727 1.00 71.13 H new ATOM 0 HG2 PRO A 20 10.074 -2.352 8.126 1.00 61.13 H new ATOM 0 HG3 PRO A 20 11.007 -1.014 8.765 1.00 61.13 H new ATOM 0 HD2 PRO A 20 8.174 -1.067 7.894 1.00 44.41 H new ATOM 0 HD3 PRO A 20 8.970 0.032 9.003 1.00 44.41 H new ATOM 291 N CYS A 21 10.242 0.557 3.669 1.00 43.12 N ATOM 292 CA CYS A 21 9.711 0.464 2.318 1.00 43.22 C ATOM 293 C CYS A 21 9.916 -0.941 1.748 1.00 70.22 C ATOM 294 O CYS A 21 9.156 -1.398 0.908 1.00 11.04 O ATOM 295 CB CYS A 21 10.380 1.507 1.422 1.00 21.41 C ATOM 296 SG CYS A 21 9.506 1.832 -0.129 1.00 14.32 S ATOM 0 H CYS A 21 11.026 1.202 3.764 1.00 43.12 H new ATOM 0 HA CYS A 21 8.640 0.661 2.352 1.00 43.22 H new ATOM 0 HB2 CYS A 21 10.470 2.441 1.977 1.00 21.41 H new ATOM 0 HB3 CYS A 21 11.392 1.175 1.192 1.00 21.41 H new ATOM 301 N SER A 22 10.922 -1.633 2.253 1.00 60.11 N ATOM 302 CA SER A 22 11.212 -2.983 1.833 1.00 50.42 C ATOM 303 C SER A 22 10.074 -3.953 2.234 1.00 40.44 C ATOM 304 O SER A 22 9.933 -5.031 1.644 1.00 52.31 O ATOM 305 CB SER A 22 12.561 -3.439 2.421 1.00 31.31 C ATOM 306 OG SER A 22 12.918 -4.748 1.992 1.00 73.41 O ATOM 0 H SER A 22 11.557 -1.271 2.964 1.00 60.11 H new ATOM 0 HA SER A 22 11.282 -2.998 0.745 1.00 50.42 H new ATOM 0 HB2 SER A 22 13.340 -2.736 2.126 1.00 31.31 H new ATOM 0 HB3 SER A 22 12.507 -3.417 3.509 1.00 31.31 H new ATOM 0 HG SER A 22 13.780 -4.998 2.386 1.00 73.41 H new ATOM 312 N ARG A 23 9.247 -3.561 3.214 1.00 12.54 N ATOM 313 CA ARG A 23 8.158 -4.414 3.667 1.00 30.33 C ATOM 314 C ARG A 23 6.932 -4.274 2.782 1.00 65.44 C ATOM 315 O ARG A 23 5.984 -5.059 2.883 1.00 41.54 O ATOM 316 CB ARG A 23 7.790 -4.149 5.124 1.00 73.14 C ATOM 317 CG ARG A 23 8.913 -4.438 6.085 1.00 61.14 C ATOM 318 CD ARG A 23 8.475 -4.277 7.521 1.00 20.44 C ATOM 319 NE ARG A 23 9.596 -4.481 8.435 1.00 62.34 N ATOM 320 CZ ARG A 23 9.503 -4.719 9.737 1.00 52.33 C ATOM 321 NH1 ARG A 23 8.314 -4.893 10.311 1.00 52.45 N ATOM 322 NH2 ARG A 23 10.609 -4.798 10.464 1.00 12.15 N ATOM 0 H ARG A 23 9.316 -2.666 3.699 1.00 12.54 H new ATOM 0 HA ARG A 23 8.520 -5.440 3.594 1.00 30.33 H new ATOM 0 HB2 ARG A 23 7.488 -3.107 5.231 1.00 73.14 H new ATOM 0 HB3 ARG A 23 6.927 -4.760 5.390 1.00 73.14 H new ATOM 0 HG2 ARG A 23 9.275 -5.454 5.927 1.00 61.14 H new ATOM 0 HG3 ARG A 23 9.748 -3.767 5.882 1.00 61.14 H new ATOM 0 HD2 ARG A 23 8.057 -3.281 7.668 1.00 20.44 H new ATOM 0 HD3 ARG A 23 7.683 -4.991 7.746 1.00 20.44 H new ATOM 0 HE ARG A 23 10.534 -4.437 8.037 1.00 62.34 H new ATOM 0 HH11 ARG A 23 7.464 -4.844 9.749 1.00 52.45 H new ATOM 0 HH12 ARG A 23 8.253 -5.075 11.313 1.00 52.45 H new ATOM 0 HH21 ARG A 23 11.520 -4.676 10.022 1.00 12.15 H new ATOM 0 HH22 ARG A 23 10.549 -4.981 11.466 1.00 12.15 H new ATOM 336 N ILE A 24 6.951 -3.273 1.920 1.00 64.01 N ATOM 337 CA ILE A 24 5.865 -3.040 1.001 1.00 41.20 C ATOM 338 C ILE A 24 5.832 -4.145 -0.052 1.00 10.02 C ATOM 339 O ILE A 24 6.834 -4.414 -0.737 1.00 14.01 O ATOM 340 CB ILE A 24 5.995 -1.679 0.279 1.00 1.13 C ATOM 341 CG1 ILE A 24 6.012 -0.499 1.284 1.00 34.32 C ATOM 342 CG2 ILE A 24 4.845 -1.528 -0.703 1.00 44.11 C ATOM 343 CD1 ILE A 24 4.698 -0.227 1.986 1.00 31.32 C ATOM 0 H ILE A 24 7.718 -2.605 1.842 1.00 64.01 H new ATOM 0 HA ILE A 24 4.945 -3.034 1.586 1.00 41.20 H new ATOM 0 HB ILE A 24 6.944 -1.657 -0.257 1.00 1.13 H new ATOM 0 HG12 ILE A 24 6.774 -0.697 2.038 1.00 34.32 H new ATOM 0 HG13 ILE A 24 6.315 0.404 0.754 1.00 34.32 H new ATOM 0 HG21 ILE A 24 4.929 -0.570 -1.217 1.00 44.11 H new ATOM 0 HG22 ILE A 24 4.882 -2.336 -1.433 1.00 44.11 H new ATOM 0 HG23 ILE A 24 3.899 -1.569 -0.164 1.00 44.11 H new ATOM 0 HD11 ILE A 24 4.817 0.616 2.666 1.00 31.32 H new ATOM 0 HD12 ILE A 24 3.932 0.008 1.247 1.00 31.32 H new ATOM 0 HD13 ILE A 24 4.398 -1.109 2.551 1.00 31.32 H new ATOM 355 N LYS A 25 4.708 -4.782 -0.168 1.00 54.22 N ATOM 356 CA LYS A 25 4.527 -5.823 -1.123 1.00 2.31 C ATOM 357 C LYS A 25 3.748 -5.266 -2.303 1.00 72.45 C ATOM 358 O LYS A 25 4.197 -5.329 -3.437 1.00 21.14 O ATOM 359 CB LYS A 25 3.790 -6.971 -0.435 1.00 2.44 C ATOM 360 CG LYS A 25 3.673 -8.305 -1.191 1.00 54.13 C ATOM 361 CD LYS A 25 2.741 -8.241 -2.388 1.00 72.12 C ATOM 362 CE LYS A 25 2.584 -9.594 -3.031 1.00 42.20 C ATOM 363 NZ LYS A 25 2.031 -10.589 -2.087 1.00 30.34 N ATOM 0 H LYS A 25 3.885 -4.590 0.404 1.00 54.22 H new ATOM 0 HA LYS A 25 5.477 -6.202 -1.500 1.00 2.31 H new ATOM 0 HB2 LYS A 25 4.288 -7.167 0.515 1.00 2.44 H new ATOM 0 HB3 LYS A 25 2.782 -6.629 -0.201 1.00 2.44 H new ATOM 0 HG2 LYS A 25 4.664 -8.611 -1.527 1.00 54.13 H new ATOM 0 HG3 LYS A 25 3.318 -9.073 -0.504 1.00 54.13 H new ATOM 0 HD2 LYS A 25 1.766 -7.870 -2.073 1.00 72.12 H new ATOM 0 HD3 LYS A 25 3.131 -7.532 -3.118 1.00 72.12 H new ATOM 0 HE2 LYS A 25 1.928 -9.511 -3.897 1.00 42.20 H new ATOM 0 HE3 LYS A 25 3.552 -9.938 -3.396 1.00 42.20 H new ATOM 0 HZ1 LYS A 25 1.625 -11.384 -2.620 1.00 30.34 H new ATOM 0 HZ2 LYS A 25 2.790 -10.939 -1.467 1.00 30.34 H new ATOM 0 HZ3 LYS A 25 1.289 -10.144 -1.509 1.00 30.34 H new ATOM 377 N THR A 26 2.603 -4.709 -2.022 1.00 33.24 N ATOM 378 CA THR A 26 1.750 -4.150 -3.040 1.00 61.21 C ATOM 379 C THR A 26 0.885 -3.085 -2.390 1.00 74.30 C ATOM 380 O THR A 26 0.839 -3.000 -1.157 1.00 33.00 O ATOM 381 CB THR A 26 0.857 -5.244 -3.727 1.00 72.52 C ATOM 382 OG1 THR A 26 0.149 -4.681 -4.834 1.00 74.20 O ATOM 383 CG2 THR A 26 -0.150 -5.842 -2.751 1.00 63.12 C ATOM 0 H THR A 26 2.231 -4.628 -1.076 1.00 33.24 H new ATOM 0 HA THR A 26 2.367 -3.717 -3.827 1.00 61.21 H new ATOM 0 HB THR A 26 1.523 -6.036 -4.071 1.00 72.52 H new ATOM 0 HG1 THR A 26 -0.403 -5.373 -5.255 1.00 74.20 H new ATOM 0 HG21 THR A 26 -0.750 -6.595 -3.263 1.00 63.12 H new ATOM 0 HG22 THR A 26 0.381 -6.305 -1.919 1.00 63.12 H new ATOM 0 HG23 THR A 26 -0.802 -5.055 -2.373 1.00 63.12 H new ATOM 391 N TYR A 27 0.238 -2.272 -3.180 1.00 41.12 N ATOM 392 CA TYR A 27 -0.607 -1.233 -2.658 1.00 62.14 C ATOM 393 C TYR A 27 -1.849 -1.120 -3.515 1.00 31.13 C ATOM 394 O TYR A 27 -1.897 -1.622 -4.646 1.00 23.41 O ATOM 395 CB TYR A 27 0.110 0.141 -2.662 1.00 74.11 C ATOM 396 CG TYR A 27 0.359 0.665 -4.037 1.00 41.22 C ATOM 397 CD1 TYR A 27 1.513 0.366 -4.716 1.00 71.40 C ATOM 398 CD2 TYR A 27 -0.595 1.450 -4.663 1.00 4.45 C ATOM 399 CE1 TYR A 27 1.710 0.838 -5.992 1.00 61.44 C ATOM 400 CE2 TYR A 27 -0.411 1.923 -5.916 1.00 2.41 C ATOM 401 CZ TYR A 27 0.744 1.620 -6.591 1.00 60.11 C ATOM 402 OH TYR A 27 0.940 2.089 -7.869 1.00 22.20 O ATOM 0 H TYR A 27 0.281 -2.310 -4.198 1.00 41.12 H new ATOM 0 HA TYR A 27 -0.860 -1.496 -1.631 1.00 62.14 H new ATOM 0 HB2 TYR A 27 -0.493 0.861 -2.109 1.00 74.11 H new ATOM 0 HB3 TYR A 27 1.060 0.050 -2.136 1.00 74.11 H new ATOM 0 HD1 TYR A 27 2.271 -0.243 -4.246 1.00 71.40 H new ATOM 0 HD2 TYR A 27 -1.508 1.690 -4.138 1.00 4.45 H new ATOM 0 HE1 TYR A 27 2.618 0.597 -6.524 1.00 61.44 H new ATOM 0 HE2 TYR A 27 -1.168 2.535 -6.382 1.00 2.41 H new ATOM 0 HH TYR A 27 0.165 2.623 -8.144 1.00 22.20 H new ATOM 412 N THR A 28 -2.829 -0.497 -2.975 1.00 23.41 N ATOM 413 CA THR A 28 -4.019 -0.149 -3.659 1.00 44.33 C ATOM 414 C THR A 28 -4.432 1.234 -3.188 1.00 25.31 C ATOM 415 O THR A 28 -4.604 1.453 -1.988 1.00 34.12 O ATOM 416 CB THR A 28 -5.145 -1.150 -3.373 1.00 63.51 C ATOM 417 OG1 THR A 28 -4.712 -2.477 -3.737 1.00 70.44 O ATOM 418 CG2 THR A 28 -6.395 -0.791 -4.170 1.00 70.54 C ATOM 0 H THR A 28 -2.824 -0.202 -1.999 1.00 23.41 H new ATOM 0 HA THR A 28 -3.837 -0.163 -4.734 1.00 44.33 H new ATOM 0 HB THR A 28 -5.383 -1.115 -2.310 1.00 63.51 H new ATOM 0 HG1 THR A 28 -5.431 -3.118 -3.553 1.00 70.44 H new ATOM 0 HG21 THR A 28 -7.183 -1.512 -3.955 1.00 70.54 H new ATOM 0 HG22 THR A 28 -6.730 0.208 -3.890 1.00 70.54 H new ATOM 0 HG23 THR A 28 -6.166 -0.812 -5.235 1.00 70.54 H new ATOM 426 N ILE A 29 -4.562 2.151 -4.081 1.00 62.03 N ATOM 427 CA ILE A 29 -5.011 3.464 -3.706 1.00 14.53 C ATOM 428 C ILE A 29 -6.510 3.468 -3.819 1.00 31.12 C ATOM 429 O ILE A 29 -7.062 3.065 -4.842 1.00 43.03 O ATOM 430 CB ILE A 29 -4.397 4.582 -4.595 1.00 72.40 C ATOM 431 CG1 ILE A 29 -2.863 4.556 -4.496 1.00 24.34 C ATOM 432 CG2 ILE A 29 -4.931 5.957 -4.176 1.00 11.54 C ATOM 433 CD1 ILE A 29 -2.176 5.596 -5.356 1.00 74.53 C ATOM 0 H ILE A 29 -4.367 2.027 -5.074 1.00 62.03 H new ATOM 0 HA ILE A 29 -4.686 3.679 -2.688 1.00 14.53 H new ATOM 0 HB ILE A 29 -4.687 4.399 -5.630 1.00 72.40 H new ATOM 0 HG12 ILE A 29 -2.573 4.709 -3.456 1.00 24.34 H new ATOM 0 HG13 ILE A 29 -2.507 3.567 -4.784 1.00 24.34 H new ATOM 0 HG21 ILE A 29 -4.490 6.727 -4.809 1.00 11.54 H new ATOM 0 HG22 ILE A 29 -6.015 5.975 -4.285 1.00 11.54 H new ATOM 0 HG23 ILE A 29 -4.667 6.148 -3.136 1.00 11.54 H new ATOM 0 HD11 ILE A 29 -1.096 5.515 -5.232 1.00 74.53 H new ATOM 0 HD12 ILE A 29 -2.435 5.432 -6.402 1.00 74.53 H new ATOM 0 HD13 ILE A 29 -2.502 6.591 -5.054 1.00 74.53 H new ATOM 445 N THR A 30 -7.168 3.879 -2.791 1.00 71.11 N ATOM 446 CA THR A 30 -8.586 3.829 -2.795 1.00 3.43 C ATOM 447 C THR A 30 -9.109 5.215 -2.831 1.00 22.24 C ATOM 448 O THR A 30 -8.786 6.004 -1.977 1.00 35.32 O ATOM 449 CB THR A 30 -9.129 3.059 -1.569 1.00 62.11 C ATOM 450 OG1 THR A 30 -8.596 3.615 -0.349 1.00 23.44 O ATOM 451 CG2 THR A 30 -8.761 1.587 -1.651 1.00 72.51 C ATOM 0 H THR A 30 -6.748 4.252 -1.940 1.00 71.11 H new ATOM 0 HA THR A 30 -8.924 3.288 -3.679 1.00 3.43 H new ATOM 0 HB THR A 30 -10.215 3.155 -1.568 1.00 62.11 H new ATOM 0 HG1 THR A 30 -7.620 3.677 -0.416 1.00 23.44 H new ATOM 0 HG21 THR A 30 -9.153 1.065 -0.778 1.00 72.51 H new ATOM 0 HG22 THR A 30 -9.189 1.155 -2.555 1.00 72.51 H new ATOM 0 HG23 THR A 30 -7.676 1.484 -1.678 1.00 72.51 H new ATOM 459 N GLU A 31 -9.864 5.530 -3.834 1.00 11.15 N ATOM 460 CA GLU A 31 -10.366 6.853 -3.970 1.00 53.25 C ATOM 461 C GLU A 31 -11.870 6.839 -4.007 1.00 11.42 C ATOM 462 O GLU A 31 -12.485 5.994 -4.675 1.00 5.40 O ATOM 463 CB GLU A 31 -9.776 7.522 -5.219 1.00 54.04 C ATOM 464 CG GLU A 31 -8.251 7.550 -5.210 1.00 34.30 C ATOM 465 CD GLU A 31 -7.652 8.243 -6.397 1.00 65.25 C ATOM 466 OE1 GLU A 31 -7.443 7.599 -7.435 1.00 63.24 O ATOM 467 OE2 GLU A 31 -7.368 9.442 -6.298 1.00 21.24 O ATOM 0 H GLU A 31 -10.146 4.884 -4.572 1.00 11.15 H new ATOM 0 HA GLU A 31 -10.060 7.441 -3.104 1.00 53.25 H new ATOM 0 HB2 GLU A 31 -10.120 6.991 -6.107 1.00 54.04 H new ATOM 0 HB3 GLU A 31 -10.153 8.542 -5.292 1.00 54.04 H new ATOM 0 HG2 GLU A 31 -7.911 8.047 -4.301 1.00 34.30 H new ATOM 0 HG3 GLU A 31 -7.878 6.526 -5.172 1.00 34.30 H new ATOM 474 N GLY A 32 -12.449 7.726 -3.252 1.00 12.45 N ATOM 475 CA GLY A 32 -13.863 7.879 -3.202 1.00 33.21 C ATOM 476 C GLY A 32 -14.219 8.930 -2.201 1.00 42.11 C ATOM 477 O GLY A 32 -13.839 10.100 -2.355 1.00 62.32 O ATOM 0 H GLY A 32 -11.940 8.370 -2.647 1.00 12.45 H new ATOM 0 HA2 GLY A 32 -14.244 8.155 -4.185 1.00 33.21 H new ATOM 0 HA3 GLY A 32 -14.332 6.933 -2.933 1.00 33.21 H new ATOM 481 N SER A 33 -14.878 8.526 -1.159 1.00 44.12 N ATOM 482 CA SER A 33 -15.281 9.434 -0.112 1.00 63.42 C ATOM 483 C SER A 33 -14.105 9.665 0.839 1.00 41.23 C ATOM 484 O SER A 33 -13.962 10.730 1.431 1.00 4.44 O ATOM 485 CB SER A 33 -16.508 8.867 0.632 1.00 32.14 C ATOM 486 OG SER A 33 -16.992 9.759 1.627 1.00 73.33 O ATOM 0 H SER A 33 -15.156 7.557 -1.004 1.00 44.12 H new ATOM 0 HA SER A 33 -15.568 10.394 -0.542 1.00 63.42 H new ATOM 0 HB2 SER A 33 -17.302 8.660 -0.085 1.00 32.14 H new ATOM 0 HB3 SER A 33 -16.242 7.917 1.096 1.00 32.14 H new ATOM 0 HG SER A 33 -17.769 9.362 2.072 1.00 73.33 H new ATOM 492 N LEU A 34 -13.274 8.658 0.960 1.00 65.33 N ATOM 493 CA LEU A 34 -12.078 8.700 1.755 1.00 5.45 C ATOM 494 C LEU A 34 -11.003 8.025 0.932 1.00 21.23 C ATOM 495 O LEU A 34 -11.190 6.887 0.493 1.00 24.34 O ATOM 496 CB LEU A 34 -12.343 7.957 3.103 1.00 51.14 C ATOM 497 CG LEU A 34 -11.232 7.898 4.193 1.00 32.34 C ATOM 498 CD1 LEU A 34 -10.051 7.013 3.799 1.00 13.40 C ATOM 499 CD2 LEU A 34 -10.756 9.295 4.562 1.00 2.04 C ATOM 0 H LEU A 34 -13.419 7.763 0.493 1.00 65.33 H new ATOM 0 HA LEU A 34 -11.767 9.714 2.005 1.00 5.45 H new ATOM 0 HB2 LEU A 34 -13.220 8.416 3.559 1.00 51.14 H new ATOM 0 HB3 LEU A 34 -12.612 6.929 2.859 1.00 51.14 H new ATOM 0 HG LEU A 34 -11.688 7.437 5.069 1.00 32.34 H new ATOM 0 HD11 LEU A 34 -9.312 7.014 4.600 1.00 13.40 H new ATOM 0 HD12 LEU A 34 -10.400 5.995 3.629 1.00 13.40 H new ATOM 0 HD13 LEU A 34 -9.597 7.398 2.886 1.00 13.40 H new ATOM 0 HD21 LEU A 34 -9.981 9.225 5.325 1.00 2.04 H new ATOM 0 HD22 LEU A 34 -10.352 9.787 3.677 1.00 2.04 H new ATOM 0 HD23 LEU A 34 -11.594 9.875 4.949 1.00 2.04 H new ATOM 511 N ARG A 35 -9.913 8.707 0.680 1.00 55.43 N ATOM 512 CA ARG A 35 -8.879 8.115 -0.119 1.00 62.32 C ATOM 513 C ARG A 35 -7.713 7.703 0.758 1.00 34.41 C ATOM 514 O ARG A 35 -7.234 8.482 1.574 1.00 61.01 O ATOM 515 CB ARG A 35 -8.424 9.046 -1.266 1.00 74.43 C ATOM 516 CG ARG A 35 -7.512 10.158 -0.857 1.00 11.40 C ATOM 517 CD ARG A 35 -7.306 11.156 -1.977 1.00 41.42 C ATOM 518 NE ARG A 35 -6.757 10.559 -3.204 1.00 71.15 N ATOM 519 CZ ARG A 35 -5.533 10.796 -3.709 1.00 3.11 C ATOM 520 NH1 ARG A 35 -4.630 11.501 -3.016 1.00 40.43 N ATOM 521 NH2 ARG A 35 -5.220 10.320 -4.904 1.00 44.24 N ATOM 0 H ARG A 35 -9.724 9.653 1.011 1.00 55.43 H new ATOM 0 HA ARG A 35 -9.290 7.223 -0.591 1.00 62.32 H new ATOM 0 HB2 ARG A 35 -7.921 8.445 -2.023 1.00 74.43 H new ATOM 0 HB3 ARG A 35 -9.308 9.476 -1.736 1.00 74.43 H new ATOM 0 HG2 ARG A 35 -7.927 10.668 0.012 1.00 11.40 H new ATOM 0 HG3 ARG A 35 -6.549 9.746 -0.555 1.00 11.40 H new ATOM 0 HD2 ARG A 35 -8.259 11.631 -2.209 1.00 41.42 H new ATOM 0 HD3 ARG A 35 -6.634 11.942 -1.633 1.00 41.42 H new ATOM 0 HE ARG A 35 -7.355 9.910 -3.715 1.00 71.15 H new ATOM 0 HH11 ARG A 35 -4.867 11.866 -2.093 1.00 40.43 H new ATOM 0 HH12 ARG A 35 -3.705 11.673 -3.411 1.00 40.43 H new ATOM 0 HH21 ARG A 35 -5.904 9.779 -5.433 1.00 44.24 H new ATOM 0 HH22 ARG A 35 -4.295 10.494 -5.296 1.00 44.24 H new ATOM 535 N ALA A 36 -7.296 6.476 0.630 1.00 54.24 N ATOM 536 CA ALA A 36 -6.178 5.975 1.397 1.00 73.23 C ATOM 537 C ALA A 36 -5.391 5.003 0.566 1.00 64.41 C ATOM 538 O ALA A 36 -5.964 4.297 -0.278 1.00 43.34 O ATOM 539 CB ALA A 36 -6.662 5.297 2.672 1.00 14.03 C ATOM 0 H ALA A 36 -7.714 5.794 -0.003 1.00 54.24 H new ATOM 0 HA ALA A 36 -5.540 6.814 1.675 1.00 73.23 H new ATOM 0 HB1 ALA A 36 -5.805 4.927 3.235 1.00 14.03 H new ATOM 0 HB2 ALA A 36 -7.213 6.015 3.280 1.00 14.03 H new ATOM 0 HB3 ALA A 36 -7.315 4.463 2.415 1.00 14.03 H new ATOM 545 N VAL A 37 -4.098 4.975 0.752 1.00 20.55 N ATOM 546 CA VAL A 37 -3.294 4.019 0.076 1.00 31.52 C ATOM 547 C VAL A 37 -3.183 2.805 0.975 1.00 2.12 C ATOM 548 O VAL A 37 -2.622 2.888 2.065 1.00 42.32 O ATOM 549 CB VAL A 37 -1.870 4.555 -0.204 1.00 3.24 C ATOM 550 CG1 VAL A 37 -1.103 3.590 -1.079 1.00 13.12 C ATOM 551 CG2 VAL A 37 -1.904 5.937 -0.828 1.00 54.22 C ATOM 0 H VAL A 37 -3.588 5.608 1.368 1.00 20.55 H new ATOM 0 HA VAL A 37 -3.756 3.784 -0.883 1.00 31.52 H new ATOM 0 HB VAL A 37 -1.355 4.642 0.753 1.00 3.24 H new ATOM 0 HG11 VAL A 37 -0.104 3.983 -1.266 1.00 13.12 H new ATOM 0 HG12 VAL A 37 -1.025 2.626 -0.576 1.00 13.12 H new ATOM 0 HG13 VAL A 37 -1.626 3.464 -2.027 1.00 13.12 H new ATOM 0 HG21 VAL A 37 -0.885 6.279 -1.010 1.00 54.22 H new ATOM 0 HG22 VAL A 37 -2.447 5.897 -1.772 1.00 54.22 H new ATOM 0 HG23 VAL A 37 -2.404 6.630 -0.151 1.00 54.22 H new ATOM 561 N ILE A 38 -3.734 1.714 0.559 1.00 12.51 N ATOM 562 CA ILE A 38 -3.653 0.510 1.328 1.00 50.20 C ATOM 563 C ILE A 38 -2.476 -0.311 0.864 1.00 30.32 C ATOM 564 O ILE A 38 -2.430 -0.758 -0.275 1.00 74.54 O ATOM 565 CB ILE A 38 -4.969 -0.336 1.280 1.00 43.12 C ATOM 566 CG1 ILE A 38 -6.131 0.444 1.925 1.00 64.13 C ATOM 567 CG2 ILE A 38 -4.781 -1.694 1.968 1.00 12.13 C ATOM 568 CD1 ILE A 38 -7.443 -0.326 1.987 1.00 53.32 C ATOM 0 H ILE A 38 -4.250 1.628 -0.316 1.00 12.51 H new ATOM 0 HA ILE A 38 -3.514 0.800 2.370 1.00 50.20 H new ATOM 0 HB ILE A 38 -5.213 -0.524 0.234 1.00 43.12 H new ATOM 0 HG12 ILE A 38 -5.843 0.731 2.936 1.00 64.13 H new ATOM 0 HG13 ILE A 38 -6.290 1.366 1.365 1.00 64.13 H new ATOM 0 HG21 ILE A 38 -5.712 -2.259 1.919 1.00 12.13 H new ATOM 0 HG22 ILE A 38 -3.991 -2.251 1.464 1.00 12.13 H new ATOM 0 HG23 ILE A 38 -4.506 -1.538 3.011 1.00 12.13 H new ATOM 0 HD11 ILE A 38 -8.207 0.295 2.455 1.00 53.32 H new ATOM 0 HD12 ILE A 38 -7.758 -0.590 0.977 1.00 53.32 H new ATOM 0 HD13 ILE A 38 -7.304 -1.234 2.573 1.00 53.32 H new ATOM 580 N PHE A 39 -1.523 -0.462 1.729 1.00 54.20 N ATOM 581 CA PHE A 39 -0.360 -1.247 1.458 1.00 44.20 C ATOM 582 C PHE A 39 -0.494 -2.584 2.043 1.00 51.41 C ATOM 583 O PHE A 39 -1.090 -2.756 3.090 1.00 42.22 O ATOM 584 CB PHE A 39 0.905 -0.609 1.995 1.00 73.30 C ATOM 585 CG PHE A 39 1.340 0.562 1.229 1.00 62.44 C ATOM 586 CD1 PHE A 39 1.991 0.379 0.037 1.00 64.53 C ATOM 587 CD2 PHE A 39 1.116 1.833 1.680 1.00 63.10 C ATOM 588 CE1 PHE A 39 2.413 1.437 -0.703 1.00 23.35 C ATOM 589 CE2 PHE A 39 1.537 2.905 0.944 1.00 15.04 C ATOM 590 CZ PHE A 39 2.189 2.694 -0.261 1.00 35.54 C ATOM 0 H PHE A 39 -1.531 -0.037 2.656 1.00 54.20 H new ATOM 0 HA PHE A 39 -0.279 -1.314 0.373 1.00 44.20 H new ATOM 0 HB2 PHE A 39 0.742 -0.315 3.032 1.00 73.30 H new ATOM 0 HB3 PHE A 39 1.704 -1.350 1.996 1.00 73.30 H new ATOM 0 HD1 PHE A 39 2.172 -0.624 -0.320 1.00 64.53 H new ATOM 0 HD2 PHE A 39 0.606 1.990 2.619 1.00 63.10 H new ATOM 0 HE1 PHE A 39 2.925 1.274 -1.640 1.00 23.35 H new ATOM 0 HE2 PHE A 39 1.363 3.910 1.299 1.00 15.04 H new ATOM 0 HZ PHE A 39 2.519 3.538 -0.849 1.00 35.54 H new ATOM 600 N ILE A 40 0.022 -3.532 1.385 1.00 51.32 N ATOM 601 CA ILE A 40 0.027 -4.831 1.907 1.00 22.33 C ATOM 602 C ILE A 40 1.461 -5.184 2.138 1.00 40.13 C ATOM 603 O ILE A 40 2.316 -4.878 1.299 1.00 1.40 O ATOM 604 CB ILE A 40 -0.600 -5.860 0.944 1.00 34.34 C ATOM 605 CG1 ILE A 40 -1.931 -5.339 0.360 1.00 23.33 C ATOM 606 CG2 ILE A 40 -0.845 -7.155 1.702 1.00 20.25 C ATOM 607 CD1 ILE A 40 -2.994 -5.018 1.393 1.00 62.23 C ATOM 0 H ILE A 40 0.455 -3.433 0.467 1.00 51.32 H new ATOM 0 HA ILE A 40 -0.568 -4.858 2.820 1.00 22.33 H new ATOM 0 HB ILE A 40 0.087 -6.030 0.115 1.00 34.34 H new ATOM 0 HG12 ILE A 40 -1.729 -4.441 -0.224 1.00 23.33 H new ATOM 0 HG13 ILE A 40 -2.327 -6.085 -0.329 1.00 23.33 H new ATOM 0 HG21 ILE A 40 -1.288 -7.891 1.031 1.00 20.25 H new ATOM 0 HG22 ILE A 40 0.101 -7.537 2.085 1.00 20.25 H new ATOM 0 HG23 ILE A 40 -1.524 -6.967 2.534 1.00 20.25 H new ATOM 0 HD11 ILE A 40 -3.893 -4.659 0.891 1.00 62.23 H new ATOM 0 HD12 ILE A 40 -3.231 -5.917 1.963 1.00 62.23 H new ATOM 0 HD13 ILE A 40 -2.624 -4.247 2.069 1.00 62.23 H new ATOM 619 N THR A 41 1.738 -5.766 3.252 1.00 0.44 N ATOM 620 CA THR A 41 3.070 -6.168 3.575 1.00 25.41 C ATOM 621 C THR A 41 3.346 -7.543 2.986 1.00 43.23 C ATOM 622 O THR A 41 2.410 -8.247 2.559 1.00 53.44 O ATOM 623 CB THR A 41 3.254 -6.213 5.104 1.00 25.04 C ATOM 624 OG1 THR A 41 2.185 -6.993 5.695 1.00 24.25 O ATOM 625 CG2 THR A 41 3.253 -4.809 5.691 1.00 3.24 C ATOM 0 H THR A 41 1.047 -5.979 3.971 1.00 0.44 H new ATOM 0 HA THR A 41 3.770 -5.446 3.155 1.00 25.41 H new ATOM 0 HB THR A 41 4.215 -6.676 5.327 1.00 25.04 H new ATOM 0 HG1 THR A 41 2.302 -7.024 6.668 1.00 24.25 H new ATOM 0 HG21 THR A 41 3.384 -4.866 6.772 1.00 3.24 H new ATOM 0 HG22 THR A 41 4.069 -4.232 5.256 1.00 3.24 H new ATOM 0 HG23 THR A 41 2.304 -4.321 5.466 1.00 3.24 H new ATOM 633 N LYS A 42 4.604 -7.945 2.963 1.00 70.24 N ATOM 634 CA LYS A 42 4.969 -9.275 2.471 1.00 45.03 C ATOM 635 C LYS A 42 4.577 -10.333 3.504 1.00 72.13 C ATOM 636 O LYS A 42 4.675 -11.536 3.268 1.00 1.45 O ATOM 637 CB LYS A 42 6.452 -9.351 2.096 1.00 34.22 C ATOM 638 CG LYS A 42 6.838 -8.362 0.995 1.00 44.10 C ATOM 639 CD LYS A 42 8.326 -8.388 0.667 1.00 63.11 C ATOM 640 CE LYS A 42 9.162 -8.021 1.875 1.00 33.12 C ATOM 641 NZ LYS A 42 10.600 -7.921 1.556 1.00 71.43 N ATOM 0 H LYS A 42 5.392 -7.378 3.276 1.00 70.24 H new ATOM 0 HA LYS A 42 4.415 -9.475 1.554 1.00 45.03 H new ATOM 0 HB2 LYS A 42 7.056 -9.155 2.982 1.00 34.22 H new ATOM 0 HB3 LYS A 42 6.687 -10.363 1.767 1.00 34.22 H new ATOM 0 HG2 LYS A 42 6.269 -8.590 0.094 1.00 44.10 H new ATOM 0 HG3 LYS A 42 6.557 -7.355 1.304 1.00 44.10 H new ATOM 0 HD2 LYS A 42 8.606 -9.381 0.316 1.00 63.11 H new ATOM 0 HD3 LYS A 42 8.534 -7.693 -0.146 1.00 63.11 H new ATOM 0 HE2 LYS A 42 8.815 -7.069 2.278 1.00 33.12 H new ATOM 0 HE3 LYS A 42 9.017 -8.769 2.655 1.00 33.12 H new ATOM 0 HZ1 LYS A 42 11.156 -8.363 2.316 1.00 71.43 H new ATOM 0 HZ2 LYS A 42 10.791 -8.410 0.658 1.00 71.43 H new ATOM 0 HZ3 LYS A 42 10.868 -6.920 1.469 1.00 71.43 H new ATOM 655 N ARG A 43 4.169 -9.856 4.666 1.00 32.23 N ATOM 656 CA ARG A 43 3.639 -10.697 5.715 1.00 52.41 C ATOM 657 C ARG A 43 2.157 -11.030 5.413 1.00 53.40 C ATOM 658 O ARG A 43 1.593 -11.978 5.957 1.00 10.31 O ATOM 659 CB ARG A 43 3.782 -9.981 7.067 1.00 41.23 C ATOM 660 CG ARG A 43 3.253 -10.761 8.255 1.00 73.40 C ATOM 661 CD ARG A 43 3.483 -10.014 9.546 1.00 72.42 C ATOM 662 NE ARG A 43 2.950 -10.742 10.693 1.00 64.34 N ATOM 663 CZ ARG A 43 3.452 -10.690 11.925 1.00 0.24 C ATOM 664 NH1 ARG A 43 4.551 -9.978 12.182 1.00 31.51 N ATOM 665 NH2 ARG A 43 2.862 -11.359 12.896 1.00 14.51 N ATOM 0 H ARG A 43 4.198 -8.865 4.907 1.00 32.23 H new ATOM 0 HA ARG A 43 4.197 -11.632 5.761 1.00 52.41 H new ATOM 0 HB2 ARG A 43 4.836 -9.759 7.236 1.00 41.23 H new ATOM 0 HB3 ARG A 43 3.259 -9.026 7.014 1.00 41.23 H new ATOM 0 HG2 ARG A 43 2.187 -10.948 8.125 1.00 73.40 H new ATOM 0 HG3 ARG A 43 3.743 -11.733 8.302 1.00 73.40 H new ATOM 0 HD2 ARG A 43 4.551 -9.848 9.685 1.00 72.42 H new ATOM 0 HD3 ARG A 43 3.013 -9.032 9.487 1.00 72.42 H new ATOM 0 HE ARG A 43 2.133 -11.334 10.540 1.00 64.34 H new ATOM 0 HH11 ARG A 43 5.015 -9.467 11.431 1.00 31.51 H new ATOM 0 HH12 ARG A 43 4.927 -9.945 13.129 1.00 31.51 H new ATOM 0 HH21 ARG A 43 2.027 -11.911 12.701 1.00 14.51 H new ATOM 0 HH22 ARG A 43 3.241 -11.324 13.843 1.00 14.51 H new ATOM 679 N GLY A 44 1.549 -10.243 4.533 1.00 4.41 N ATOM 680 CA GLY A 44 0.170 -10.488 4.131 1.00 33.50 C ATOM 681 C GLY A 44 -0.838 -9.608 4.841 1.00 40.10 C ATOM 682 O GLY A 44 -2.043 -9.659 4.547 1.00 13.02 O ATOM 0 H GLY A 44 1.985 -9.436 4.087 1.00 4.41 H new ATOM 0 HA2 GLY A 44 0.081 -10.332 3.056 1.00 33.50 H new ATOM 0 HA3 GLY A 44 -0.075 -11.533 4.323 1.00 33.50 H new ATOM 686 N LEU A 45 -0.366 -8.789 5.748 1.00 1.00 N ATOM 687 CA LEU A 45 -1.245 -7.909 6.495 1.00 74.20 C ATOM 688 C LEU A 45 -1.447 -6.610 5.780 1.00 55.53 C ATOM 689 O LEU A 45 -0.563 -6.132 5.041 1.00 61.13 O ATOM 690 CB LEU A 45 -0.729 -7.675 7.902 1.00 4.30 C ATOM 691 CG LEU A 45 -0.673 -8.906 8.800 1.00 1.13 C ATOM 692 CD1 LEU A 45 -0.129 -8.531 10.151 1.00 52.41 C ATOM 693 CD2 LEU A 45 -2.053 -9.536 8.947 1.00 5.33 C ATOM 0 H LEU A 45 0.622 -8.710 5.991 1.00 1.00 H new ATOM 0 HA LEU A 45 -2.213 -8.405 6.573 1.00 74.20 H new ATOM 0 HB2 LEU A 45 0.273 -7.251 7.836 1.00 4.30 H new ATOM 0 HB3 LEU A 45 -1.361 -6.927 8.381 1.00 4.30 H new ATOM 0 HG LEU A 45 -0.012 -9.639 8.338 1.00 1.13 H new ATOM 0 HD11 LEU A 45 -0.092 -9.416 10.787 1.00 52.41 H new ATOM 0 HD12 LEU A 45 0.875 -8.123 10.038 1.00 52.41 H new ATOM 0 HD13 LEU A 45 -0.776 -7.782 10.609 1.00 52.41 H new ATOM 0 HD21 LEU A 45 -1.986 -10.412 9.592 1.00 5.33 H new ATOM 0 HD22 LEU A 45 -2.738 -8.812 9.388 1.00 5.33 H new ATOM 0 HD23 LEU A 45 -2.423 -9.835 7.966 1.00 5.33 H new ATOM 705 N LYS A 46 -2.584 -6.044 6.024 1.00 40.51 N ATOM 706 CA LYS A 46 -3.041 -4.849 5.383 1.00 53.13 C ATOM 707 C LYS A 46 -2.700 -3.614 6.189 1.00 71.33 C ATOM 708 O LYS A 46 -2.993 -3.522 7.394 1.00 25.20 O ATOM 709 CB LYS A 46 -4.535 -4.959 5.189 1.00 72.23 C ATOM 710 CG LYS A 46 -4.943 -6.004 4.183 1.00 43.15 C ATOM 711 CD LYS A 46 -6.393 -6.314 4.335 1.00 73.54 C ATOM 712 CE LYS A 46 -6.949 -7.087 3.160 1.00 63.13 C ATOM 713 NZ LYS A 46 -6.280 -8.390 2.954 1.00 62.01 N ATOM 0 H LYS A 46 -3.249 -6.415 6.703 1.00 40.51 H new ATOM 0 HA LYS A 46 -2.539 -4.745 4.421 1.00 53.13 H new ATOM 0 HB2 LYS A 46 -5.000 -5.190 6.147 1.00 72.23 H new ATOM 0 HB3 LYS A 46 -4.923 -3.991 4.871 1.00 72.23 H new ATOM 0 HG2 LYS A 46 -4.742 -5.647 3.173 1.00 43.15 H new ATOM 0 HG3 LYS A 46 -4.352 -6.909 4.325 1.00 43.15 H new ATOM 0 HD2 LYS A 46 -6.544 -6.890 5.248 1.00 73.54 H new ATOM 0 HD3 LYS A 46 -6.950 -5.384 4.449 1.00 73.54 H new ATOM 0 HE2 LYS A 46 -8.015 -7.253 3.314 1.00 63.13 H new ATOM 0 HE3 LYS A 46 -6.847 -6.486 2.256 1.00 63.13 H new ATOM 0 HZ1 LYS A 46 -6.726 -8.887 2.157 1.00 62.01 H new ATOM 0 HZ2 LYS A 46 -5.273 -8.234 2.745 1.00 62.01 H new ATOM 0 HZ3 LYS A 46 -6.369 -8.966 3.815 1.00 62.01 H new ATOM 727 N VAL A 47 -2.075 -2.698 5.531 1.00 45.01 N ATOM 728 CA VAL A 47 -1.683 -1.430 6.092 1.00 23.31 C ATOM 729 C VAL A 47 -2.424 -0.306 5.351 1.00 35.41 C ATOM 730 O VAL A 47 -2.741 -0.434 4.192 1.00 12.22 O ATOM 731 CB VAL A 47 -0.136 -1.219 5.972 1.00 53.15 C ATOM 732 CG1 VAL A 47 0.306 0.110 6.579 1.00 44.03 C ATOM 733 CG2 VAL A 47 0.615 -2.371 6.625 1.00 43.32 C ATOM 0 H VAL A 47 -1.809 -2.806 4.552 1.00 45.01 H new ATOM 0 HA VAL A 47 -1.944 -1.415 7.150 1.00 23.31 H new ATOM 0 HB VAL A 47 0.105 -1.194 4.909 1.00 53.15 H new ATOM 0 HG11 VAL A 47 1.386 0.216 6.475 1.00 44.03 H new ATOM 0 HG12 VAL A 47 -0.191 0.930 6.061 1.00 44.03 H new ATOM 0 HG13 VAL A 47 0.040 0.134 7.636 1.00 44.03 H new ATOM 0 HG21 VAL A 47 1.688 -2.206 6.531 1.00 43.32 H new ATOM 0 HG22 VAL A 47 0.348 -2.428 7.680 1.00 43.32 H new ATOM 0 HG23 VAL A 47 0.347 -3.306 6.132 1.00 43.32 H new ATOM 743 N CYS A 48 -2.704 0.750 6.031 1.00 31.31 N ATOM 744 CA CYS A 48 -3.399 1.892 5.471 1.00 34.24 C ATOM 745 C CYS A 48 -2.519 3.118 5.652 1.00 63.42 C ATOM 746 O CYS A 48 -2.095 3.410 6.747 1.00 42.43 O ATOM 747 CB CYS A 48 -4.698 2.020 6.249 1.00 13.53 C ATOM 748 SG CYS A 48 -4.445 1.772 8.061 1.00 53.54 S ATOM 0 H CYS A 48 -2.458 0.862 7.014 1.00 31.31 H new ATOM 0 HA CYS A 48 -3.612 1.784 4.407 1.00 34.24 H new ATOM 0 HB2 CYS A 48 -5.130 3.006 6.075 1.00 13.53 H new ATOM 0 HB3 CYS A 48 -5.416 1.288 5.879 1.00 13.53 H new ATOM 753 N ALA A 49 -2.245 3.831 4.585 1.00 43.00 N ATOM 754 CA ALA A 49 -1.284 4.918 4.637 1.00 53.22 C ATOM 755 C ALA A 49 -1.747 6.151 3.892 1.00 51.12 C ATOM 756 O ALA A 49 -2.543 6.069 2.945 1.00 42.32 O ATOM 757 CB ALA A 49 0.062 4.449 4.125 1.00 2.05 C ATOM 0 H ALA A 49 -2.671 3.682 3.670 1.00 43.00 H new ATOM 0 HA ALA A 49 -1.188 5.212 5.682 1.00 53.22 H new ATOM 0 HB1 ALA A 49 0.775 5.272 4.169 1.00 2.05 H new ATOM 0 HB2 ALA A 49 0.420 3.626 4.744 1.00 2.05 H new ATOM 0 HB3 ALA A 49 -0.039 4.111 3.094 1.00 2.05 H new ATOM 763 N ASP A 50 -1.261 7.287 4.351 1.00 33.04 N ATOM 764 CA ASP A 50 -1.602 8.591 3.792 1.00 23.42 C ATOM 765 C ASP A 50 -0.841 8.861 2.482 1.00 52.04 C ATOM 766 O ASP A 50 0.379 8.806 2.453 1.00 43.12 O ATOM 767 CB ASP A 50 -1.293 9.690 4.815 1.00 53.14 C ATOM 768 CG ASP A 50 -1.642 11.066 4.320 1.00 23.22 C ATOM 769 OD1 ASP A 50 -2.809 11.498 4.484 1.00 71.40 O ATOM 770 OD2 ASP A 50 -0.765 11.736 3.788 1.00 24.04 O ATOM 0 H ASP A 50 -0.609 7.337 5.134 1.00 33.04 H new ATOM 0 HA ASP A 50 -2.668 8.592 3.564 1.00 23.42 H new ATOM 0 HB2 ASP A 50 -1.844 9.489 5.734 1.00 53.14 H new ATOM 0 HB3 ASP A 50 -0.233 9.658 5.066 1.00 53.14 H new ATOM 775 N PRO A 51 -1.562 9.172 1.383 1.00 10.42 N ATOM 776 CA PRO A 51 -0.950 9.422 0.062 1.00 62.14 C ATOM 777 C PRO A 51 -0.207 10.773 -0.023 1.00 22.41 C ATOM 778 O PRO A 51 0.480 11.057 -1.012 1.00 63.14 O ATOM 779 CB PRO A 51 -2.152 9.440 -0.881 1.00 20.34 C ATOM 780 CG PRO A 51 -3.293 9.863 -0.028 1.00 44.30 C ATOM 781 CD PRO A 51 -3.036 9.292 1.334 1.00 32.32 C ATOM 0 HA PRO A 51 -0.196 8.670 -0.171 1.00 62.14 H new ATOM 0 HB2 PRO A 51 -1.997 10.133 -1.707 1.00 20.34 H new ATOM 0 HB3 PRO A 51 -2.327 8.457 -1.318 1.00 20.34 H new ATOM 0 HG2 PRO A 51 -3.365 10.950 0.014 1.00 44.30 H new ATOM 0 HG3 PRO A 51 -4.237 9.496 -0.431 1.00 44.30 H new ATOM 0 HD2 PRO A 51 -3.412 9.945 2.121 1.00 32.32 H new ATOM 0 HD3 PRO A 51 -3.522 8.325 1.463 1.00 32.32 H new ATOM 789 N GLN A 52 -0.348 11.603 0.995 1.00 13.23 N ATOM 790 CA GLN A 52 0.291 12.903 1.003 1.00 74.14 C ATOM 791 C GLN A 52 1.648 12.807 1.681 1.00 22.13 C ATOM 792 O GLN A 52 2.438 13.765 1.683 1.00 60.15 O ATOM 793 CB GLN A 52 -0.606 13.948 1.678 1.00 34.23 C ATOM 794 CG GLN A 52 -1.961 14.107 1.005 1.00 63.20 C ATOM 795 CD GLN A 52 -1.843 14.571 -0.428 1.00 11.34 C ATOM 796 OE1 GLN A 52 -1.725 13.763 -1.355 1.00 72.42 O ATOM 797 NE2 GLN A 52 -1.876 15.858 -0.630 1.00 43.22 N ATOM 0 H GLN A 52 -0.901 11.398 1.827 1.00 13.23 H new ATOM 0 HA GLN A 52 0.447 13.229 -0.025 1.00 74.14 H new ATOM 0 HB2 GLN A 52 -0.757 13.667 2.720 1.00 34.23 H new ATOM 0 HB3 GLN A 52 -0.094 14.910 1.678 1.00 34.23 H new ATOM 0 HG2 GLN A 52 -2.491 13.155 1.033 1.00 63.20 H new ATOM 0 HG3 GLN A 52 -2.561 14.823 1.567 1.00 63.20 H new ATOM 0 HE21 GLN A 52 -1.975 16.496 0.160 1.00 43.22 H new ATOM 0 HE22 GLN A 52 -1.803 16.227 -1.578 1.00 43.22 H new ATOM 806 N ALA A 53 1.910 11.654 2.262 1.00 62.41 N ATOM 807 CA ALA A 53 3.187 11.362 2.854 1.00 72.31 C ATOM 808 C ALA A 53 4.190 11.081 1.755 1.00 23.35 C ATOM 809 O ALA A 53 3.957 10.229 0.885 1.00 54.15 O ATOM 810 CB ALA A 53 3.072 10.184 3.797 1.00 40.23 C ATOM 0 H ALA A 53 1.235 10.893 2.334 1.00 62.41 H new ATOM 0 HA ALA A 53 3.527 12.220 3.434 1.00 72.31 H new ATOM 0 HB1 ALA A 53 4.047 9.974 4.238 1.00 40.23 H new ATOM 0 HB2 ALA A 53 2.359 10.419 4.587 1.00 40.23 H new ATOM 0 HB3 ALA A 53 2.727 9.309 3.246 1.00 40.23 H new ATOM 816 N THR A 54 5.289 11.797 1.784 1.00 5.31 N ATOM 817 CA THR A 54 6.327 11.687 0.784 1.00 4.52 C ATOM 818 C THR A 54 6.910 10.275 0.717 1.00 30.32 C ATOM 819 O THR A 54 7.202 9.777 -0.368 1.00 54.50 O ATOM 820 CB THR A 54 7.435 12.728 1.047 1.00 64.21 C ATOM 821 OG1 THR A 54 6.840 14.034 1.023 1.00 70.22 O ATOM 822 CG2 THR A 54 8.531 12.662 -0.010 1.00 70.44 C ATOM 0 H THR A 54 5.491 12.482 2.512 1.00 5.31 H new ATOM 0 HA THR A 54 5.875 11.892 -0.186 1.00 4.52 H new ATOM 0 HB THR A 54 7.890 12.517 2.015 1.00 64.21 H new ATOM 0 HG1 THR A 54 7.529 14.711 1.190 1.00 70.22 H new ATOM 0 HG21 THR A 54 9.293 13.410 0.209 1.00 70.44 H new ATOM 0 HG22 THR A 54 8.983 11.670 -0.004 1.00 70.44 H new ATOM 0 HG23 THR A 54 8.101 12.859 -0.992 1.00 70.44 H new ATOM 830 N TRP A 55 7.026 9.609 1.862 1.00 53.20 N ATOM 831 CA TRP A 55 7.605 8.269 1.874 1.00 71.32 C ATOM 832 C TRP A 55 6.656 7.307 1.147 1.00 30.43 C ATOM 833 O TRP A 55 7.091 6.402 0.434 1.00 65.04 O ATOM 834 CB TRP A 55 7.907 7.774 3.305 1.00 12.12 C ATOM 835 CG TRP A 55 6.711 7.398 4.098 1.00 75.20 C ATOM 836 CD1 TRP A 55 5.887 8.222 4.767 1.00 50.43 C ATOM 837 CD2 TRP A 55 6.214 6.079 4.299 1.00 62.35 C ATOM 838 NE1 TRP A 55 4.894 7.505 5.375 1.00 52.11 N ATOM 839 CE2 TRP A 55 5.077 6.183 5.097 1.00 72.22 C ATOM 840 CE3 TRP A 55 6.632 4.824 3.872 1.00 12.45 C ATOM 841 CZ2 TRP A 55 4.341 5.084 5.482 1.00 5.20 C ATOM 842 CZ3 TRP A 55 5.899 3.719 4.248 1.00 33.41 C ATOM 843 CH2 TRP A 55 4.761 3.858 5.048 1.00 42.53 C ATOM 0 H TRP A 55 6.735 9.964 2.773 1.00 53.20 H new ATOM 0 HA TRP A 55 8.563 8.304 1.354 1.00 71.32 H new ATOM 0 HB2 TRP A 55 8.571 6.912 3.244 1.00 12.12 H new ATOM 0 HB3 TRP A 55 8.448 8.556 3.838 1.00 12.12 H new ATOM 0 HD1 TRP A 55 5.994 9.296 4.817 1.00 50.43 H new ATOM 0 HE1 TRP A 55 4.141 7.895 5.942 1.00 52.11 H new ATOM 0 HE3 TRP A 55 7.514 4.717 3.258 1.00 12.45 H new ATOM 0 HZ2 TRP A 55 3.464 5.187 6.104 1.00 5.20 H new ATOM 0 HZ3 TRP A 55 6.207 2.737 3.922 1.00 33.41 H new ATOM 0 HH2 TRP A 55 4.202 2.978 5.329 1.00 42.53 H new ATOM 854 N VAL A 56 5.345 7.537 1.318 1.00 41.30 N ATOM 855 CA VAL A 56 4.338 6.766 0.629 1.00 52.25 C ATOM 856 C VAL A 56 4.460 7.025 -0.828 1.00 22.30 C ATOM 857 O VAL A 56 4.500 6.113 -1.599 1.00 60.22 O ATOM 858 CB VAL A 56 2.884 7.075 1.104 1.00 45.04 C ATOM 859 CG1 VAL A 56 1.859 6.354 0.239 1.00 72.03 C ATOM 860 CG2 VAL A 56 2.710 6.674 2.552 1.00 12.41 C ATOM 0 H VAL A 56 4.971 8.259 1.935 1.00 41.30 H new ATOM 0 HA VAL A 56 4.514 5.715 0.860 1.00 52.25 H new ATOM 0 HB VAL A 56 2.720 8.148 1.007 1.00 45.04 H new ATOM 0 HG11 VAL A 56 0.855 6.588 0.593 1.00 72.03 H new ATOM 0 HG12 VAL A 56 1.963 6.679 -0.796 1.00 72.03 H new ATOM 0 HG13 VAL A 56 2.024 5.278 0.300 1.00 72.03 H new ATOM 0 HG21 VAL A 56 1.691 6.895 2.871 1.00 12.41 H new ATOM 0 HG22 VAL A 56 2.900 5.606 2.659 1.00 12.41 H new ATOM 0 HG23 VAL A 56 3.413 7.232 3.171 1.00 12.41 H new ATOM 870 N ARG A 57 4.577 8.288 -1.182 1.00 75.31 N ATOM 871 CA ARG A 57 4.728 8.694 -2.564 1.00 63.45 C ATOM 872 C ARG A 57 5.920 8.039 -3.224 1.00 24.12 C ATOM 873 O ARG A 57 5.873 7.702 -4.397 1.00 33.11 O ATOM 874 CB ARG A 57 4.795 10.193 -2.677 1.00 43.23 C ATOM 875 CG ARG A 57 3.512 10.846 -2.283 1.00 53.51 C ATOM 876 CD ARG A 57 3.581 12.339 -2.438 1.00 74.32 C ATOM 877 NE ARG A 57 2.295 12.974 -2.172 1.00 55.31 N ATOM 878 CZ ARG A 57 2.077 14.285 -2.260 1.00 73.30 C ATOM 879 NH1 ARG A 57 3.090 15.110 -2.478 1.00 61.05 N ATOM 880 NH2 ARG A 57 0.857 14.767 -2.103 1.00 73.21 N ATOM 0 H ARG A 57 4.570 9.063 -0.519 1.00 75.31 H new ATOM 0 HA ARG A 57 3.844 8.351 -3.101 1.00 63.45 H new ATOM 0 HB2 ARG A 57 5.600 10.568 -2.045 1.00 43.23 H new ATOM 0 HB3 ARG A 57 5.041 10.468 -3.703 1.00 43.23 H new ATOM 0 HG2 ARG A 57 2.700 10.453 -2.895 1.00 53.51 H new ATOM 0 HG3 ARG A 57 3.279 10.597 -1.247 1.00 53.51 H new ATOM 0 HD2 ARG A 57 4.332 12.740 -1.757 1.00 74.32 H new ATOM 0 HD3 ARG A 57 3.905 12.584 -3.450 1.00 74.32 H new ATOM 0 HE ARG A 57 1.514 12.377 -1.902 1.00 55.31 H new ATOM 0 HH11 ARG A 57 4.036 14.741 -2.578 1.00 61.05 H new ATOM 0 HH12 ARG A 57 2.924 16.114 -2.546 1.00 61.05 H new ATOM 0 HH21 ARG A 57 0.079 14.135 -1.914 1.00 73.21 H new ATOM 0 HH22 ARG A 57 0.693 15.771 -2.171 1.00 73.21 H new ATOM 894 N ASP A 58 6.973 7.862 -2.474 1.00 3.03 N ATOM 895 CA ASP A 58 8.128 7.147 -2.963 1.00 33.42 C ATOM 896 C ASP A 58 7.876 5.645 -3.080 1.00 21.14 C ATOM 897 O ASP A 58 8.177 5.053 -4.107 1.00 20.50 O ATOM 898 CB ASP A 58 9.381 7.430 -2.125 1.00 20.23 C ATOM 899 CG ASP A 58 10.086 8.721 -2.499 1.00 72.21 C ATOM 900 OD1 ASP A 58 9.765 9.794 -1.946 1.00 61.34 O ATOM 901 OD2 ASP A 58 10.996 8.679 -3.360 1.00 61.21 O ATOM 0 H ASP A 58 7.059 8.204 -1.517 1.00 3.03 H new ATOM 0 HA ASP A 58 8.312 7.525 -3.969 1.00 33.42 H new ATOM 0 HB2 ASP A 58 9.102 7.471 -1.072 1.00 20.23 H new ATOM 0 HB3 ASP A 58 10.078 6.600 -2.238 1.00 20.23 H new ATOM 906 N CYS A 59 7.283 5.040 -2.068 1.00 22.43 N ATOM 907 CA CYS A 59 7.053 3.581 -2.064 1.00 41.13 C ATOM 908 C CYS A 59 5.909 3.140 -2.950 1.00 10.11 C ATOM 909 O CYS A 59 5.993 2.106 -3.628 1.00 53.20 O ATOM 910 CB CYS A 59 6.817 3.081 -0.684 1.00 75.15 C ATOM 911 SG CYS A 59 8.222 3.306 0.421 1.00 63.43 S ATOM 0 H CYS A 59 6.947 5.522 -1.234 1.00 22.43 H new ATOM 0 HA CYS A 59 7.966 3.148 -2.473 1.00 41.13 H new ATOM 0 HB2 CYS A 59 5.951 3.594 -0.265 1.00 75.15 H new ATOM 0 HB3 CYS A 59 6.568 2.021 -0.729 1.00 75.15 H new ATOM 916 N VAL A 60 4.855 3.921 -2.966 1.00 33.43 N ATOM 917 CA VAL A 60 3.684 3.640 -3.768 1.00 44.45 C ATOM 918 C VAL A 60 4.106 3.708 -5.239 1.00 50.42 C ATOM 919 O VAL A 60 3.527 3.096 -6.107 1.00 60.43 O ATOM 920 CB VAL A 60 2.513 4.657 -3.458 1.00 54.33 C ATOM 921 CG1 VAL A 60 2.732 6.006 -4.083 1.00 15.14 C ATOM 922 CG2 VAL A 60 1.169 4.118 -3.837 1.00 61.32 C ATOM 0 H VAL A 60 4.784 4.778 -2.418 1.00 33.43 H new ATOM 0 HA VAL A 60 3.297 2.649 -3.532 1.00 44.45 H new ATOM 0 HB VAL A 60 2.528 4.789 -2.376 1.00 54.33 H new ATOM 0 HG11 VAL A 60 1.897 6.661 -3.836 1.00 15.14 H new ATOM 0 HG12 VAL A 60 3.657 6.438 -3.701 1.00 15.14 H new ATOM 0 HG13 VAL A 60 2.801 5.899 -5.165 1.00 15.14 H new ATOM 0 HG21 VAL A 60 0.402 4.856 -3.603 1.00 61.32 H new ATOM 0 HG22 VAL A 60 1.151 3.903 -4.905 1.00 61.32 H new ATOM 0 HG23 VAL A 60 0.974 3.202 -3.279 1.00 61.32 H new ATOM 932 N ARG A 61 5.147 4.467 -5.485 1.00 1.54 N ATOM 933 CA ARG A 61 5.670 4.634 -6.785 1.00 72.02 C ATOM 934 C ARG A 61 6.780 3.595 -7.035 1.00 52.41 C ATOM 935 O ARG A 61 6.998 3.180 -8.151 1.00 11.34 O ATOM 936 CB ARG A 61 6.177 6.048 -6.927 1.00 73.21 C ATOM 937 CG ARG A 61 6.712 6.366 -8.270 1.00 60.22 C ATOM 938 CD ARG A 61 7.162 7.814 -8.343 1.00 41.01 C ATOM 939 NE ARG A 61 7.734 8.160 -9.645 1.00 71.42 N ATOM 940 CZ ARG A 61 8.409 9.288 -9.903 1.00 2.00 C ATOM 941 NH1 ARG A 61 8.620 10.178 -8.928 1.00 0.31 N ATOM 942 NH2 ARG A 61 8.885 9.519 -11.128 1.00 31.54 N ATOM 0 H ARG A 61 5.649 4.986 -4.765 1.00 1.54 H new ATOM 0 HA ARG A 61 4.896 4.471 -7.535 1.00 72.02 H new ATOM 0 HB2 ARG A 61 5.365 6.738 -6.698 1.00 73.21 H new ATOM 0 HB3 ARG A 61 6.959 6.218 -6.187 1.00 73.21 H new ATOM 0 HG2 ARG A 61 7.551 5.708 -8.497 1.00 60.22 H new ATOM 0 HG3 ARG A 61 5.947 6.180 -9.024 1.00 60.22 H new ATOM 0 HD2 ARG A 61 6.312 8.466 -8.139 1.00 41.01 H new ATOM 0 HD3 ARG A 61 7.901 8.001 -7.564 1.00 41.01 H new ATOM 0 HE ARG A 61 7.610 7.496 -10.409 1.00 71.42 H new ATOM 0 HH11 ARG A 61 8.267 9.998 -7.988 1.00 0.31 H new ATOM 0 HH12 ARG A 61 9.134 11.037 -9.124 1.00 0.31 H new ATOM 0 HH21 ARG A 61 8.735 8.836 -11.871 1.00 31.54 H new ATOM 0 HH22 ARG A 61 9.399 10.379 -11.322 1.00 31.54 H new ATOM 956 N SER A 62 7.453 3.178 -5.967 1.00 72.14 N ATOM 957 CA SER A 62 8.502 2.159 -6.037 1.00 61.32 C ATOM 958 C SER A 62 7.910 0.845 -6.578 1.00 25.41 C ATOM 959 O SER A 62 8.485 0.203 -7.465 1.00 0.34 O ATOM 960 CB SER A 62 9.141 1.941 -4.629 1.00 15.04 C ATOM 961 OG SER A 62 10.224 1.025 -4.675 1.00 43.45 O ATOM 0 H SER A 62 7.288 3.536 -5.026 1.00 72.14 H new ATOM 0 HA SER A 62 9.286 2.496 -6.715 1.00 61.32 H new ATOM 0 HB2 SER A 62 9.490 2.896 -4.237 1.00 15.04 H new ATOM 0 HB3 SER A 62 8.382 1.572 -3.939 1.00 15.04 H new ATOM 0 HG SER A 62 10.599 0.916 -3.776 1.00 43.45 H new ATOM 967 N MET A 63 6.739 0.473 -6.063 1.00 62.04 N ATOM 968 CA MET A 63 6.060 -0.739 -6.516 1.00 33.45 C ATOM 969 C MET A 63 5.554 -0.548 -7.928 1.00 73.03 C ATOM 970 O MET A 63 5.616 -1.467 -8.760 1.00 65.24 O ATOM 971 CB MET A 63 4.893 -1.102 -5.606 1.00 35.34 C ATOM 972 CG MET A 63 5.217 -1.387 -4.136 1.00 33.42 C ATOM 973 SD MET A 63 6.367 -2.768 -3.849 1.00 41.23 S ATOM 974 CE MET A 63 7.982 -2.025 -4.140 1.00 52.43 C ATOM 0 H MET A 63 6.244 0.990 -5.336 1.00 62.04 H new ATOM 0 HA MET A 63 6.783 -1.554 -6.486 1.00 33.45 H new ATOM 0 HB2 MET A 63 4.170 -0.287 -5.641 1.00 35.34 H new ATOM 0 HB3 MET A 63 4.401 -1.982 -6.021 1.00 35.34 H new ATOM 0 HG2 MET A 63 5.639 -0.485 -3.692 1.00 33.42 H new ATOM 0 HG3 MET A 63 4.286 -1.595 -3.609 1.00 33.42 H new ATOM 0 HE1 MET A 63 8.675 -2.344 -3.361 1.00 52.43 H new ATOM 0 HE2 MET A 63 8.358 -2.342 -5.113 1.00 52.43 H new ATOM 0 HE3 MET A 63 7.891 -0.939 -4.122 1.00 52.43 H new ATOM 984 N ASP A 64 5.067 0.655 -8.193 1.00 31.02 N ATOM 985 CA ASP A 64 4.549 1.036 -9.507 1.00 65.03 C ATOM 986 C ASP A 64 5.651 0.968 -10.557 1.00 21.34 C ATOM 987 O ASP A 64 5.417 0.539 -11.693 1.00 41.14 O ATOM 988 CB ASP A 64 3.966 2.452 -9.444 1.00 33.04 C ATOM 989 CG ASP A 64 3.456 2.950 -10.776 1.00 65.11 C ATOM 990 OD1 ASP A 64 2.292 2.670 -11.123 1.00 71.11 O ATOM 991 OD2 ASP A 64 4.206 3.634 -11.489 1.00 11.31 O ATOM 0 H ASP A 64 5.018 1.402 -7.501 1.00 31.02 H new ATOM 0 HA ASP A 64 3.762 0.337 -9.790 1.00 65.03 H new ATOM 0 HB2 ASP A 64 3.150 2.469 -8.721 1.00 33.04 H new ATOM 0 HB3 ASP A 64 4.731 3.136 -9.077 1.00 33.04 H new ATOM 996 N ARG A 65 6.856 1.365 -10.158 1.00 0.44 N ATOM 997 CA ARG A 65 8.024 1.367 -11.030 1.00 62.43 C ATOM 998 C ARG A 65 8.381 -0.039 -11.500 1.00 43.01 C ATOM 999 O ARG A 65 8.856 -0.219 -12.618 1.00 12.12 O ATOM 1000 CB ARG A 65 9.233 2.060 -10.363 1.00 42.40 C ATOM 1001 CG ARG A 65 10.479 2.102 -11.246 1.00 1.30 C ATOM 1002 CD ARG A 65 11.629 2.868 -10.604 1.00 32.00 C ATOM 1003 NE ARG A 65 12.041 2.311 -9.302 1.00 53.12 N ATOM 1004 CZ ARG A 65 13.296 1.924 -8.990 1.00 11.33 C ATOM 1005 NH1 ARG A 65 14.235 1.830 -9.938 1.00 64.11 N ATOM 1006 NH2 ARG A 65 13.592 1.594 -7.742 1.00 65.10 N ATOM 0 H ARG A 65 7.050 1.697 -9.213 1.00 0.44 H new ATOM 0 HA ARG A 65 7.760 1.948 -11.914 1.00 62.43 H new ATOM 0 HB2 ARG A 65 8.954 3.079 -10.094 1.00 42.40 H new ATOM 0 HB3 ARG A 65 9.473 1.540 -9.436 1.00 42.40 H new ATOM 0 HG2 ARG A 65 10.802 1.083 -11.461 1.00 1.30 H new ATOM 0 HG3 ARG A 65 10.228 2.565 -12.200 1.00 1.30 H new ATOM 0 HD2 ARG A 65 12.483 2.863 -11.281 1.00 32.00 H new ATOM 0 HD3 ARG A 65 11.334 3.909 -10.470 1.00 32.00 H new ATOM 0 HE ARG A 65 11.324 2.211 -8.584 1.00 53.12 H new ATOM 0 HH11 ARG A 65 14.006 2.052 -10.907 1.00 64.11 H new ATOM 0 HH12 ARG A 65 15.180 1.537 -9.692 1.00 64.11 H new ATOM 0 HH21 ARG A 65 12.873 1.633 -7.020 1.00 65.10 H new ATOM 0 HH22 ARG A 65 14.539 1.301 -7.503 1.00 65.10 H new ATOM 1020 N LYS A 66 8.120 -1.051 -10.667 1.00 3.11 N ATOM 1021 CA LYS A 66 8.372 -2.427 -11.068 1.00 71.11 C ATOM 1022 C LYS A 66 7.459 -2.823 -12.237 1.00 71.41 C ATOM 1023 O LYS A 66 7.762 -3.744 -12.986 1.00 62.22 O ATOM 1024 CB LYS A 66 8.162 -3.395 -9.906 1.00 65.34 C ATOM 1025 CG LYS A 66 8.986 -3.080 -8.673 1.00 52.11 C ATOM 1026 CD LYS A 66 8.874 -4.179 -7.620 1.00 15.22 C ATOM 1027 CE LYS A 66 7.435 -4.434 -7.170 1.00 22.25 C ATOM 1028 NZ LYS A 66 7.356 -5.528 -6.175 1.00 33.40 N ATOM 0 H LYS A 66 7.740 -0.941 -9.727 1.00 3.11 H new ATOM 0 HA LYS A 66 9.413 -2.489 -11.384 1.00 71.11 H new ATOM 0 HB2 LYS A 66 7.107 -3.393 -9.633 1.00 65.34 H new ATOM 0 HB3 LYS A 66 8.403 -4.404 -10.241 1.00 65.34 H new ATOM 0 HG2 LYS A 66 10.031 -2.954 -8.957 1.00 52.11 H new ATOM 0 HG3 LYS A 66 8.655 -2.133 -8.247 1.00 52.11 H new ATOM 0 HD2 LYS A 66 9.292 -5.102 -8.021 1.00 15.22 H new ATOM 0 HD3 LYS A 66 9.476 -3.906 -6.753 1.00 15.22 H new ATOM 0 HE2 LYS A 66 7.021 -3.522 -6.741 1.00 22.25 H new ATOM 0 HE3 LYS A 66 6.822 -4.685 -8.036 1.00 22.25 H new ATOM 0 HZ1 LYS A 66 6.365 -5.671 -5.894 1.00 33.40 H new ATOM 0 HZ2 LYS A 66 7.728 -6.405 -6.593 1.00 33.40 H new ATOM 0 HZ3 LYS A 66 7.920 -5.277 -5.338 1.00 33.40 H new ATOM 1042 N SER A 67 6.357 -2.118 -12.380 1.00 3.20 N ATOM 1043 CA SER A 67 5.409 -2.372 -13.444 1.00 70.42 C ATOM 1044 C SER A 67 5.573 -1.309 -14.545 1.00 34.13 C ATOM 1045 O SER A 67 4.807 -1.268 -15.510 1.00 52.03 O ATOM 1046 CB SER A 67 3.977 -2.355 -12.874 1.00 53.35 C ATOM 1047 OG SER A 67 3.007 -2.673 -13.865 1.00 13.45 O ATOM 0 H SER A 67 6.093 -1.352 -11.761 1.00 3.20 H new ATOM 0 HA SER A 67 5.596 -3.353 -13.880 1.00 70.42 H new ATOM 0 HB2 SER A 67 3.905 -3.069 -12.053 1.00 53.35 H new ATOM 0 HB3 SER A 67 3.763 -1.370 -12.460 1.00 53.35 H new ATOM 0 HG SER A 67 3.361 -2.452 -14.752 1.00 13.45 H new ATOM 1053 N ASN A 68 6.579 -0.476 -14.384 1.00 74.52 N ATOM 1054 CA ASN A 68 6.896 0.599 -15.322 1.00 54.50 C ATOM 1055 C ASN A 68 8.221 0.188 -16.003 1.00 3.23 C ATOM 1056 O ASN A 68 8.514 -1.016 -16.084 1.00 71.40 O ATOM 1057 CB ASN A 68 7.046 1.928 -14.517 1.00 50.44 C ATOM 1058 CG ASN A 68 7.143 3.201 -15.376 1.00 63.11 C ATOM 1059 OD1 ASN A 68 8.227 3.625 -15.767 1.00 14.13 O ATOM 1060 ND2 ASN A 68 6.022 3.813 -15.658 1.00 11.21 N ATOM 0 H ASN A 68 7.214 -0.521 -13.587 1.00 74.52 H new ATOM 0 HA ASN A 68 6.123 0.757 -16.074 1.00 54.50 H new ATOM 0 HB2 ASN A 68 6.194 2.026 -13.844 1.00 50.44 H new ATOM 0 HB3 ASN A 68 7.938 1.859 -13.894 1.00 50.44 H new ATOM 0 HD21 ASN A 68 6.033 4.666 -16.217 1.00 11.21 H new ATOM 0 HD22 ASN A 68 5.136 3.437 -15.319 1.00 11.21 H new ATOM 1067 N THR A 69 8.996 1.127 -16.489 1.00 13.20 N ATOM 1068 CA THR A 69 10.241 0.812 -17.130 1.00 4.42 C ATOM 1069 C THR A 69 11.247 0.216 -16.128 1.00 33.41 C ATOM 1070 O THR A 69 11.393 0.694 -14.978 1.00 53.13 O ATOM 1071 CB THR A 69 10.842 2.032 -17.864 1.00 61.44 C ATOM 1072 OG1 THR A 69 12.028 1.654 -18.573 1.00 12.21 O ATOM 1073 CG2 THR A 69 11.174 3.118 -16.891 1.00 64.54 C ATOM 0 H THR A 69 8.780 2.123 -16.450 1.00 13.20 H new ATOM 0 HA THR A 69 10.029 0.056 -17.886 1.00 4.42 H new ATOM 0 HB THR A 69 10.100 2.399 -18.572 1.00 61.44 H new ATOM 0 HG1 THR A 69 12.397 2.436 -19.034 1.00 12.21 H new ATOM 0 HG21 THR A 69 11.596 3.969 -17.426 1.00 64.54 H new ATOM 0 HG22 THR A 69 10.268 3.429 -16.370 1.00 64.54 H new ATOM 0 HG23 THR A 69 11.900 2.748 -16.167 1.00 64.54 H new ATOM 1081 N ARG A 70 11.892 -0.841 -16.536 1.00 12.21 N ATOM 1082 CA ARG A 70 12.873 -1.491 -15.712 1.00 1.43 C ATOM 1083 C ARG A 70 14.274 -0.978 -16.020 1.00 50.24 C ATOM 1084 O ARG A 70 14.459 -0.082 -16.859 1.00 22.21 O ATOM 1085 CB ARG A 70 12.798 -3.016 -15.867 1.00 73.33 C ATOM 1086 CG ARG A 70 12.881 -3.498 -17.300 1.00 34.54 C ATOM 1087 CD ARG A 70 12.897 -5.007 -17.375 1.00 2.23 C ATOM 1088 NE ARG A 70 12.830 -5.473 -18.757 1.00 75.32 N ATOM 1089 CZ ARG A 70 13.589 -6.422 -19.299 1.00 15.22 C ATOM 1090 NH1 ARG A 70 14.591 -6.962 -18.607 1.00 2.13 N ATOM 1091 NH2 ARG A 70 13.352 -6.813 -20.549 1.00 40.42 N ATOM 0 H ARG A 70 11.753 -1.276 -17.448 1.00 12.21 H new ATOM 0 HA ARG A 70 12.650 -1.249 -14.673 1.00 1.43 H new ATOM 0 HB2 ARG A 70 13.608 -3.469 -15.296 1.00 73.33 H new ATOM 0 HB3 ARG A 70 11.864 -3.369 -15.430 1.00 73.33 H new ATOM 0 HG2 ARG A 70 12.032 -3.113 -17.864 1.00 34.54 H new ATOM 0 HG3 ARG A 70 13.781 -3.100 -17.768 1.00 34.54 H new ATOM 0 HD2 ARG A 70 13.804 -5.386 -16.905 1.00 2.23 H new ATOM 0 HD3 ARG A 70 12.055 -5.410 -16.813 1.00 2.23 H new ATOM 0 HE ARG A 70 12.138 -5.031 -19.362 1.00 75.32 H new ATOM 0 HH11 ARG A 70 14.781 -6.648 -17.655 1.00 2.13 H new ATOM 0 HH12 ARG A 70 15.169 -7.689 -19.029 1.00 2.13 H new ATOM 0 HH21 ARG A 70 12.594 -6.386 -21.082 1.00 40.42 H new ATOM 0 HH22 ARG A 70 13.928 -7.540 -20.974 1.00 40.42 H new ATOM 1105 N ASN A 71 15.235 -1.536 -15.349 1.00 45.34 N ATOM 1106 CA ASN A 71 16.625 -1.169 -15.483 1.00 74.02 C ATOM 1107 C ASN A 71 17.419 -2.358 -15.009 1.00 32.34 C ATOM 1108 O ASN A 71 16.829 -3.256 -14.389 1.00 53.35 O ATOM 1109 CB ASN A 71 16.919 0.067 -14.598 1.00 10.21 C ATOM 1110 CG ASN A 71 18.354 0.557 -14.687 1.00 72.11 C ATOM 1111 OD1 ASN A 71 19.015 0.413 -15.714 1.00 3.30 O ATOM 1112 ND2 ASN A 71 18.848 1.129 -13.613 1.00 54.51 N ATOM 0 H ASN A 71 15.076 -2.282 -14.671 1.00 45.34 H new ATOM 0 HA ASN A 71 16.883 -0.912 -16.510 1.00 74.02 H new ATOM 0 HB2 ASN A 71 16.250 0.877 -14.888 1.00 10.21 H new ATOM 0 HB3 ASN A 71 16.692 -0.178 -13.560 1.00 10.21 H new ATOM 0 HD21 ASN A 71 19.809 1.471 -13.613 1.00 54.51 H new ATOM 0 HD22 ASN A 71 18.271 1.232 -12.778 1.00 54.51 H new ATOM 1119 N ASN A 72 18.712 -2.402 -15.284 1.00 3.04 N ATOM 1120 CA ASN A 72 19.530 -3.513 -14.827 1.00 22.22 C ATOM 1121 C ASN A 72 19.711 -3.422 -13.313 1.00 45.01 C ATOM 1122 O ASN A 72 20.570 -2.701 -12.800 1.00 73.40 O ATOM 1123 CB ASN A 72 20.895 -3.630 -15.582 1.00 72.34 C ATOM 1124 CG ASN A 72 21.866 -2.455 -15.388 1.00 41.13 C ATOM 1125 OD1 ASN A 72 21.468 -1.301 -15.187 1.00 34.42 O ATOM 1126 ND2 ASN A 72 23.145 -2.744 -15.449 1.00 1.23 N ATOM 0 H ASN A 72 19.213 -1.690 -15.815 1.00 3.04 H new ATOM 0 HA ASN A 72 19.002 -4.436 -15.066 1.00 22.22 H new ATOM 0 HB2 ASN A 72 21.391 -4.545 -15.258 1.00 72.34 H new ATOM 0 HB3 ASN A 72 20.692 -3.738 -16.647 1.00 72.34 H new ATOM 0 HD21 ASN A 72 23.841 -2.008 -15.329 1.00 1.23 H new ATOM 0 HD22 ASN A 72 23.443 -3.705 -15.616 1.00 1.23 H new ATOM 1133 N MET A 73 18.860 -4.105 -12.601 1.00 14.10 N ATOM 1134 CA MET A 73 18.853 -4.036 -11.164 1.00 3.22 C ATOM 1135 C MET A 73 19.844 -4.989 -10.562 1.00 11.41 C ATOM 1136 O MET A 73 19.540 -6.149 -10.300 1.00 61.04 O ATOM 1137 CB MET A 73 17.447 -4.247 -10.592 1.00 15.43 C ATOM 1138 CG MET A 73 16.445 -3.190 -11.029 1.00 31.32 C ATOM 1139 SD MET A 73 14.812 -3.419 -10.300 1.00 14.52 S ATOM 1140 CE MET A 73 13.929 -2.034 -11.023 1.00 24.55 C ATOM 0 H MET A 73 18.153 -4.724 -12.997 1.00 14.10 H new ATOM 0 HA MET A 73 19.163 -3.028 -10.888 1.00 3.22 H new ATOM 0 HB2 MET A 73 17.083 -5.228 -10.897 1.00 15.43 H new ATOM 0 HB3 MET A 73 17.504 -4.253 -9.504 1.00 15.43 H new ATOM 0 HG2 MET A 73 16.823 -2.205 -10.756 1.00 31.32 H new ATOM 0 HG3 MET A 73 16.357 -3.208 -12.115 1.00 31.32 H new ATOM 0 HE1 MET A 73 12.898 -2.035 -10.669 1.00 24.55 H new ATOM 0 HE2 MET A 73 14.412 -1.102 -10.730 1.00 24.55 H new ATOM 0 HE3 MET A 73 13.940 -2.123 -12.109 1.00 24.55 H new ATOM 1150 N ILE A 74 21.046 -4.506 -10.391 1.00 14.12 N ATOM 1151 CA ILE A 74 22.099 -5.282 -9.818 1.00 11.43 C ATOM 1152 C ILE A 74 22.111 -5.068 -8.309 1.00 70.21 C ATOM 1153 O ILE A 74 22.374 -3.958 -7.820 1.00 42.21 O ATOM 1154 CB ILE A 74 23.471 -4.915 -10.432 1.00 0.11 C ATOM 1155 CG1 ILE A 74 23.422 -5.097 -11.962 1.00 4.35 C ATOM 1156 CG2 ILE A 74 24.573 -5.782 -9.828 1.00 50.11 C ATOM 1157 CD1 ILE A 74 24.708 -4.734 -12.675 1.00 64.44 C ATOM 0 H ILE A 74 21.318 -3.557 -10.649 1.00 14.12 H new ATOM 0 HA ILE A 74 21.919 -6.334 -10.037 1.00 11.43 H new ATOM 0 HB ILE A 74 23.693 -3.872 -10.206 1.00 0.11 H new ATOM 0 HG12 ILE A 74 23.178 -6.136 -12.185 1.00 4.35 H new ATOM 0 HG13 ILE A 74 22.613 -4.486 -12.363 1.00 4.35 H new ATOM 0 HG21 ILE A 74 25.532 -5.512 -10.270 1.00 50.11 H new ATOM 0 HG22 ILE A 74 24.612 -5.622 -8.750 1.00 50.11 H new ATOM 0 HG23 ILE A 74 24.363 -6.832 -10.032 1.00 50.11 H new ATOM 0 HD11 ILE A 74 24.587 -4.891 -13.747 1.00 64.44 H new ATOM 0 HD12 ILE A 74 24.946 -3.687 -12.486 1.00 64.44 H new ATOM 0 HD13 ILE A 74 25.519 -5.362 -12.306 1.00 64.44 H new ATOM 1169 N GLN A 75 21.778 -6.102 -7.600 1.00 61.31 N ATOM 1170 CA GLN A 75 21.713 -6.083 -6.163 1.00 10.32 C ATOM 1171 C GLN A 75 22.863 -6.885 -5.616 1.00 22.35 C ATOM 1172 O GLN A 75 23.890 -6.297 -5.270 1.00 39.99 O ATOM 1173 CB GLN A 75 20.391 -6.682 -5.703 1.00 50.52 C ATOM 1174 CG GLN A 75 19.174 -5.932 -6.209 1.00 63.31 C ATOM 1175 CD GLN A 75 17.877 -6.648 -5.914 1.00 0.40 C ATOM 1176 OE1 GLN A 75 17.755 -7.388 -4.923 1.00 53.11 O ATOM 1177 NE2 GLN A 75 16.898 -6.433 -6.752 1.00 21.25 N ATOM 0 H GLN A 75 21.538 -7.005 -8.009 1.00 61.31 H new ATOM 0 HA GLN A 75 21.777 -5.058 -5.799 1.00 10.32 H new ATOM 0 HB2 GLN A 75 20.335 -7.717 -6.039 1.00 50.52 H new ATOM 0 HB3 GLN A 75 20.369 -6.699 -4.613 1.00 50.52 H new ATOM 0 HG2 GLN A 75 19.148 -4.942 -5.753 1.00 63.31 H new ATOM 0 HG3 GLN A 75 19.265 -5.785 -7.285 1.00 63.31 H new ATOM 0 HE21 GLN A 75 17.039 -5.818 -7.554 1.00 21.25 H new ATOM 0 HE22 GLN A 75 15.993 -6.880 -6.604 1.00 21.25 H new TER 1186 GLN A 75