USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 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 63 MET CE :methyl -137:sc= -0.0779 (180deg=-0.302) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.892 K(o=-0.97,f=-3.6) USER MOD Set 2.1: A 27 TYR OH : rot 130:sc= -1.01 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.0254 K(o=-0.98,f=-4.4!) USER MOD Set 3.1: A 10 THR OG1 : rot -35:sc= 1.21 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -176:sc= 1.21 (180deg=0) USER MOD Single : A 3 SER OG : rot -41:sc= 0.373 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= 0.411 (180deg=0.0324) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.428 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= -0.0142 (180deg=-0.115) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -48:sc= 0.642 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= 0.164 (180deg=0.0901) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.03 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0501) USER MOD Single : A 67 SER OG : rot -44:sc= 0.173 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : A 72 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.8!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -9.007 -18.425 2.458 1.00 15.23 N ATOM 2 CA GLY A 2 -7.657 -18.534 2.926 1.00 14.31 C ATOM 3 C GLY A 2 -6.769 -17.472 2.343 1.00 13.12 C ATOM 4 O GLY A 2 -6.454 -17.511 1.144 1.00 75.21 O ATOM 0 HA2 GLY A 2 -7.644 -18.460 4.013 1.00 14.31 H new ATOM 0 HA3 GLY A 2 -7.263 -19.517 2.668 1.00 14.31 H new ATOM 8 N SER A 3 -6.395 -16.507 3.186 1.00 43.54 N ATOM 9 CA SER A 3 -5.501 -15.395 2.843 1.00 51.52 C ATOM 10 C SER A 3 -6.154 -14.479 1.783 1.00 14.44 C ATOM 11 O SER A 3 -5.496 -13.663 1.137 1.00 52.12 O ATOM 12 CB SER A 3 -4.132 -15.947 2.365 1.00 32.01 C ATOM 13 OG SER A 3 -3.166 -14.921 2.173 1.00 2.52 O ATOM 0 H SER A 3 -6.714 -16.475 4.154 1.00 43.54 H new ATOM 0 HA SER A 3 -5.327 -14.787 3.731 1.00 51.52 H new ATOM 0 HB2 SER A 3 -3.757 -16.662 3.097 1.00 32.01 H new ATOM 0 HB3 SER A 3 -4.270 -16.491 1.430 1.00 32.01 H new ATOM 0 HG SER A 3 -3.591 -14.148 1.746 1.00 2.52 H new ATOM 19 N GLU A 4 -7.451 -14.574 1.666 1.00 23.23 N ATOM 20 CA GLU A 4 -8.169 -13.833 0.674 1.00 1.41 C ATOM 21 C GLU A 4 -8.880 -12.618 1.265 1.00 0.33 C ATOM 22 O GLU A 4 -10.065 -12.657 1.618 1.00 61.34 O ATOM 23 CB GLU A 4 -9.091 -14.754 -0.128 1.00 44.33 C ATOM 24 CG GLU A 4 -10.034 -15.572 0.735 1.00 21.51 C ATOM 25 CD GLU A 4 -10.746 -16.634 -0.032 1.00 23.54 C ATOM 26 OE1 GLU A 4 -11.835 -16.374 -0.572 1.00 40.22 O ATOM 27 OE2 GLU A 4 -10.233 -17.764 -0.081 1.00 33.13 O ATOM 0 H GLU A 4 -8.035 -15.167 2.256 1.00 23.23 H new ATOM 0 HA GLU A 4 -7.449 -13.421 -0.033 1.00 1.41 H new ATOM 0 HB2 GLU A 4 -9.677 -14.152 -0.822 1.00 44.33 H new ATOM 0 HB3 GLU A 4 -8.482 -15.430 -0.728 1.00 44.33 H new ATOM 0 HG2 GLU A 4 -9.470 -16.033 1.546 1.00 21.51 H new ATOM 0 HG3 GLU A 4 -10.767 -14.908 1.194 1.00 21.51 H new ATOM 34 N VAL A 5 -8.117 -11.570 1.442 1.00 4.41 N ATOM 35 CA VAL A 5 -8.614 -10.308 1.936 1.00 0.44 C ATOM 36 C VAL A 5 -8.103 -9.158 1.065 1.00 43.02 C ATOM 37 O VAL A 5 -7.021 -8.612 1.287 1.00 23.43 O ATOM 38 CB VAL A 5 -8.303 -10.064 3.466 1.00 32.31 C ATOM 39 CG1 VAL A 5 -9.125 -11.004 4.343 1.00 71.13 C ATOM 40 CG2 VAL A 5 -6.815 -10.268 3.775 1.00 61.13 C ATOM 0 H VAL A 5 -7.116 -11.568 1.244 1.00 4.41 H new ATOM 0 HA VAL A 5 -9.701 -10.347 1.865 1.00 0.44 H new ATOM 0 HB VAL A 5 -8.572 -9.031 3.686 1.00 32.31 H new ATOM 0 HG11 VAL A 5 -8.894 -10.818 5.392 1.00 71.13 H new ATOM 0 HG12 VAL A 5 -10.187 -10.829 4.168 1.00 71.13 H new ATOM 0 HG13 VAL A 5 -8.882 -12.037 4.096 1.00 71.13 H new ATOM 0 HG21 VAL A 5 -6.636 -10.092 4.836 1.00 61.13 H new ATOM 0 HG22 VAL A 5 -6.528 -11.289 3.523 1.00 61.13 H new ATOM 0 HG23 VAL A 5 -6.222 -9.568 3.186 1.00 61.13 H new ATOM 50 N SER A 6 -8.853 -8.844 0.034 1.00 31.40 N ATOM 51 CA SER A 6 -8.461 -7.820 -0.890 1.00 61.13 C ATOM 52 C SER A 6 -9.699 -7.206 -1.554 1.00 52.41 C ATOM 53 O SER A 6 -10.374 -7.849 -2.370 1.00 43.02 O ATOM 54 CB SER A 6 -7.507 -8.415 -1.947 1.00 44.04 C ATOM 55 OG SER A 6 -6.976 -7.414 -2.801 1.00 32.31 O ATOM 0 H SER A 6 -9.744 -9.291 -0.182 1.00 31.40 H new ATOM 0 HA SER A 6 -7.937 -7.029 -0.354 1.00 61.13 H new ATOM 0 HB2 SER A 6 -6.691 -8.937 -1.447 1.00 44.04 H new ATOM 0 HB3 SER A 6 -8.041 -9.155 -2.543 1.00 44.04 H new ATOM 0 HG SER A 6 -6.375 -7.828 -3.456 1.00 32.31 H new ATOM 61 N ASP A 7 -10.000 -5.987 -1.178 1.00 71.22 N ATOM 62 CA ASP A 7 -11.118 -5.241 -1.726 1.00 44.45 C ATOM 63 C ASP A 7 -10.751 -3.766 -1.662 1.00 60.14 C ATOM 64 O ASP A 7 -9.707 -3.437 -1.096 1.00 23.44 O ATOM 65 CB ASP A 7 -12.426 -5.555 -0.958 1.00 22.35 C ATOM 66 CG ASP A 7 -13.642 -4.827 -1.506 1.00 62.51 C ATOM 67 OD1 ASP A 7 -13.914 -4.928 -2.725 1.00 34.53 O ATOM 68 OD2 ASP A 7 -14.313 -4.113 -0.744 1.00 40.41 O ATOM 0 H ASP A 7 -9.471 -5.474 -0.473 1.00 71.22 H new ATOM 0 HA ASP A 7 -11.307 -5.527 -2.761 1.00 44.45 H new ATOM 0 HB2 ASP A 7 -12.609 -6.629 -0.993 1.00 22.35 H new ATOM 0 HB3 ASP A 7 -12.295 -5.288 0.091 1.00 22.35 H new ATOM 73 N LYS A 8 -11.573 -2.887 -2.219 1.00 33.30 N ATOM 74 CA LYS A 8 -11.226 -1.484 -2.275 1.00 43.22 C ATOM 75 C LYS A 8 -11.410 -0.843 -0.907 1.00 50.14 C ATOM 76 O LYS A 8 -10.445 -0.592 -0.180 1.00 72.14 O ATOM 77 CB LYS A 8 -12.034 -0.671 -3.341 1.00 63.21 C ATOM 78 CG LYS A 8 -11.851 -0.977 -4.855 1.00 60.32 C ATOM 79 CD LYS A 8 -12.639 -2.186 -5.362 1.00 70.41 C ATOM 80 CE LYS A 8 -11.983 -3.522 -5.085 1.00 62.53 C ATOM 81 NZ LYS A 8 -12.835 -4.649 -5.516 1.00 13.50 N ATOM 0 H LYS A 8 -12.475 -3.123 -2.633 1.00 33.30 H new ATOM 0 HA LYS A 8 -10.180 -1.449 -2.581 1.00 43.22 H new ATOM 0 HB2 LYS A 8 -13.092 -0.796 -3.111 1.00 63.21 H new ATOM 0 HB3 LYS A 8 -11.798 0.383 -3.192 1.00 63.21 H new ATOM 0 HG2 LYS A 8 -12.150 -0.099 -5.428 1.00 60.32 H new ATOM 0 HG3 LYS A 8 -10.792 -1.142 -5.053 1.00 60.32 H new ATOM 0 HD2 LYS A 8 -13.628 -2.178 -4.903 1.00 70.41 H new ATOM 0 HD3 LYS A 8 -12.786 -2.083 -6.437 1.00 70.41 H new ATOM 0 HE2 LYS A 8 -11.025 -3.571 -5.603 1.00 62.53 H new ATOM 0 HE3 LYS A 8 -11.774 -3.611 -4.019 1.00 62.53 H new ATOM 0 HZ1 LYS A 8 -12.236 -5.420 -5.874 1.00 13.50 H new ATOM 0 HZ2 LYS A 8 -13.393 -4.991 -4.708 1.00 13.50 H new ATOM 0 HZ3 LYS A 8 -13.477 -4.331 -6.270 1.00 13.50 H new ATOM 95 N ARG A 9 -12.637 -0.608 -0.546 1.00 5.21 N ATOM 96 CA ARG A 9 -12.930 -0.002 0.712 1.00 51.24 C ATOM 97 C ARG A 9 -12.928 -1.024 1.829 1.00 2.05 C ATOM 98 O ARG A 9 -13.951 -1.640 2.150 1.00 71.42 O ATOM 99 CB ARG A 9 -14.217 0.816 0.673 1.00 50.41 C ATOM 100 CG ARG A 9 -14.143 2.027 -0.251 1.00 3.34 C ATOM 101 CD ARG A 9 -15.417 2.851 -0.198 1.00 64.21 C ATOM 102 NE ARG A 9 -16.590 2.110 -0.677 1.00 13.54 N ATOM 103 CZ ARG A 9 -17.848 2.352 -0.300 1.00 32.53 C ATOM 104 NH1 ARG A 9 -18.111 3.268 0.612 1.00 3.14 N ATOM 105 NH2 ARG A 9 -18.846 1.665 -0.837 1.00 23.23 N ATOM 0 H ARG A 9 -13.455 -0.830 -1.113 1.00 5.21 H new ATOM 0 HA ARG A 9 -12.129 0.706 0.925 1.00 51.24 H new ATOM 0 HB2 ARG A 9 -15.036 0.173 0.351 1.00 50.41 H new ATOM 0 HB3 ARG A 9 -14.454 1.153 1.682 1.00 50.41 H new ATOM 0 HG2 ARG A 9 -13.294 2.650 0.032 1.00 3.34 H new ATOM 0 HG3 ARG A 9 -13.967 1.694 -1.274 1.00 3.34 H new ATOM 0 HD2 ARG A 9 -15.592 3.177 0.827 1.00 64.21 H new ATOM 0 HD3 ARG A 9 -15.289 3.750 -0.801 1.00 64.21 H new ATOM 0 HE ARG A 9 -16.433 1.356 -1.346 1.00 13.54 H new ATOM 0 HH11 ARG A 9 -17.350 3.799 1.036 1.00 3.14 H new ATOM 0 HH12 ARG A 9 -19.075 3.446 0.893 1.00 3.14 H new ATOM 0 HH21 ARG A 9 -18.654 0.950 -1.539 1.00 23.23 H new ATOM 0 HH22 ARG A 9 -19.806 1.851 -0.548 1.00 23.23 H new ATOM 119 N THR A 10 -11.750 -1.266 2.340 1.00 50.22 N ATOM 120 CA THR A 10 -11.549 -2.159 3.456 1.00 34.24 C ATOM 121 C THR A 10 -10.930 -1.370 4.608 1.00 44.31 C ATOM 122 O THR A 10 -10.731 -1.879 5.714 1.00 2.40 O ATOM 123 CB THR A 10 -10.627 -3.350 3.038 1.00 41.44 C ATOM 124 OG1 THR A 10 -10.511 -4.330 4.094 1.00 0.43 O ATOM 125 CG2 THR A 10 -9.235 -2.873 2.643 1.00 21.21 C ATOM 0 H THR A 10 -10.890 -0.844 1.990 1.00 50.22 H new ATOM 0 HA THR A 10 -12.504 -2.576 3.776 1.00 34.24 H new ATOM 0 HB THR A 10 -11.100 -3.815 2.173 1.00 41.44 H new ATOM 0 HG1 THR A 10 -10.525 -3.877 4.963 1.00 0.43 H new ATOM 0 HG21 THR A 10 -8.624 -3.730 2.359 1.00 21.21 H new ATOM 0 HG22 THR A 10 -9.311 -2.186 1.800 1.00 21.21 H new ATOM 0 HG23 THR A 10 -8.773 -2.361 3.487 1.00 21.21 H new ATOM 133 N CYS A 11 -10.644 -0.125 4.334 1.00 55.12 N ATOM 134 CA CYS A 11 -10.028 0.756 5.299 1.00 20.11 C ATOM 135 C CYS A 11 -10.414 2.208 5.029 1.00 40.15 C ATOM 136 O CYS A 11 -10.624 2.599 3.873 1.00 22.22 O ATOM 137 CB CYS A 11 -8.515 0.584 5.255 1.00 65.41 C ATOM 138 SG CYS A 11 -7.595 1.585 6.457 1.00 43.41 S ATOM 0 H CYS A 11 -10.831 0.312 3.432 1.00 55.12 H new ATOM 0 HA CYS A 11 -10.386 0.496 6.295 1.00 20.11 H new ATOM 0 HB2 CYS A 11 -8.279 -0.467 5.423 1.00 65.41 H new ATOM 0 HB3 CYS A 11 -8.165 0.833 4.253 1.00 65.41 H new ATOM 143 N VAL A 12 -10.530 2.983 6.093 1.00 32.24 N ATOM 144 CA VAL A 12 -10.896 4.399 6.013 1.00 33.43 C ATOM 145 C VAL A 12 -9.757 5.283 6.539 1.00 55.40 C ATOM 146 O VAL A 12 -9.618 6.458 6.168 1.00 44.23 O ATOM 147 CB VAL A 12 -12.167 4.669 6.876 1.00 23.31 C ATOM 148 CG1 VAL A 12 -12.555 6.133 6.855 1.00 65.02 C ATOM 149 CG2 VAL A 12 -13.328 3.810 6.424 1.00 72.14 C ATOM 0 H VAL A 12 -10.373 2.652 7.045 1.00 32.24 H new ATOM 0 HA VAL A 12 -11.091 4.638 4.968 1.00 33.43 H new ATOM 0 HB VAL A 12 -11.920 4.401 7.903 1.00 23.31 H new ATOM 0 HG11 VAL A 12 -13.444 6.282 7.467 1.00 65.02 H new ATOM 0 HG12 VAL A 12 -11.736 6.732 7.253 1.00 65.02 H new ATOM 0 HG13 VAL A 12 -12.764 6.439 5.830 1.00 65.02 H new ATOM 0 HG21 VAL A 12 -14.199 4.020 7.044 1.00 72.14 H new ATOM 0 HG22 VAL A 12 -13.561 4.032 5.383 1.00 72.14 H new ATOM 0 HG23 VAL A 12 -13.061 2.758 6.519 1.00 72.14 H new ATOM 159 N SER A 13 -8.948 4.717 7.374 1.00 73.21 N ATOM 160 CA SER A 13 -7.932 5.454 8.055 1.00 63.52 C ATOM 161 C SER A 13 -6.643 5.586 7.247 1.00 61.33 C ATOM 162 O SER A 13 -6.479 4.984 6.188 1.00 60.40 O ATOM 163 CB SER A 13 -7.656 4.779 9.375 1.00 2.21 C ATOM 164 OG SER A 13 -8.847 4.674 10.145 1.00 2.03 O ATOM 0 H SER A 13 -8.973 3.724 7.605 1.00 73.21 H new ATOM 0 HA SER A 13 -8.297 6.470 8.206 1.00 63.52 H new ATOM 0 HB2 SER A 13 -7.241 3.786 9.202 1.00 2.21 H new ATOM 0 HB3 SER A 13 -6.908 5.345 9.929 1.00 2.21 H new ATOM 0 HG SER A 13 -8.648 4.232 10.997 1.00 2.03 H new ATOM 170 N LEU A 14 -5.753 6.383 7.772 1.00 14.44 N ATOM 171 CA LEU A 14 -4.449 6.624 7.211 1.00 62.51 C ATOM 172 C LEU A 14 -3.448 6.331 8.328 1.00 21.41 C ATOM 173 O LEU A 14 -3.849 5.764 9.353 1.00 73.33 O ATOM 174 CB LEU A 14 -4.367 8.084 6.751 1.00 71.12 C ATOM 175 CG LEU A 14 -5.403 8.524 5.693 1.00 45.42 C ATOM 176 CD1 LEU A 14 -5.257 9.996 5.367 1.00 31.43 C ATOM 177 CD2 LEU A 14 -5.276 7.692 4.430 1.00 14.30 C ATOM 0 H LEU A 14 -5.921 6.902 8.634 1.00 14.44 H new ATOM 0 HA LEU A 14 -4.241 5.997 6.344 1.00 62.51 H new ATOM 0 HB2 LEU A 14 -4.476 8.726 7.625 1.00 71.12 H new ATOM 0 HB3 LEU A 14 -3.370 8.261 6.349 1.00 71.12 H new ATOM 0 HG LEU A 14 -6.395 8.362 6.116 1.00 45.42 H new ATOM 0 HD11 LEU A 14 -5.999 10.278 4.620 1.00 31.43 H new ATOM 0 HD12 LEU A 14 -5.410 10.586 6.271 1.00 31.43 H new ATOM 0 HD13 LEU A 14 -4.257 10.185 4.975 1.00 31.43 H new ATOM 0 HD21 LEU A 14 -6.016 8.022 3.701 1.00 14.30 H new ATOM 0 HD22 LEU A 14 -4.277 7.814 4.013 1.00 14.30 H new ATOM 0 HD23 LEU A 14 -5.444 6.642 4.668 1.00 14.30 H new ATOM 189 N THR A 15 -2.191 6.700 8.198 1.00 11.22 N ATOM 190 CA THR A 15 -1.255 6.347 9.251 1.00 1.21 C ATOM 191 C THR A 15 -0.285 7.492 9.563 1.00 1.05 C ATOM 192 O THR A 15 -0.374 8.583 9.010 1.00 12.43 O ATOM 193 CB THR A 15 -0.464 5.020 8.923 1.00 14.34 C ATOM 194 OG1 THR A 15 0.259 4.557 10.090 1.00 22.21 O ATOM 195 CG2 THR A 15 0.544 5.240 7.799 1.00 55.33 C ATOM 0 H THR A 15 -1.803 7.221 7.412 1.00 11.22 H new ATOM 0 HA THR A 15 -1.854 6.164 10.143 1.00 1.21 H new ATOM 0 HB THR A 15 -1.200 4.277 8.614 1.00 14.34 H new ATOM 0 HG1 THR A 15 0.742 3.733 9.870 1.00 22.21 H new ATOM 0 HG21 THR A 15 1.072 4.308 7.597 1.00 55.33 H new ATOM 0 HG22 THR A 15 0.021 5.563 6.899 1.00 55.33 H new ATOM 0 HG23 THR A 15 1.260 6.006 8.097 1.00 55.33 H new ATOM 203 N THR A 16 0.569 7.257 10.494 1.00 23.23 N ATOM 204 CA THR A 16 1.607 8.174 10.846 1.00 62.32 C ATOM 205 C THR A 16 2.923 7.382 10.973 1.00 3.44 C ATOM 206 O THR A 16 4.024 7.947 11.075 1.00 74.02 O ATOM 207 CB THR A 16 1.242 8.898 12.171 1.00 2.23 C ATOM 208 OG1 THR A 16 -0.048 9.518 12.010 1.00 64.40 O ATOM 209 CG2 THR A 16 2.257 9.976 12.523 1.00 44.23 C ATOM 0 H THR A 16 0.570 6.402 11.049 1.00 23.23 H new ATOM 0 HA THR A 16 1.726 8.940 10.080 1.00 62.32 H new ATOM 0 HB THR A 16 1.235 8.161 12.974 1.00 2.23 H new ATOM 0 HG1 THR A 16 -0.295 9.979 12.839 1.00 64.40 H new ATOM 0 HG21 THR A 16 1.966 10.459 13.456 1.00 44.23 H new ATOM 0 HG22 THR A 16 3.242 9.524 12.640 1.00 44.23 H new ATOM 0 HG23 THR A 16 2.291 10.718 11.725 1.00 44.23 H new ATOM 217 N GLN A 17 2.802 6.068 10.891 1.00 24.40 N ATOM 218 CA GLN A 17 3.934 5.198 11.035 1.00 23.14 C ATOM 219 C GLN A 17 4.513 4.936 9.674 1.00 64.23 C ATOM 220 O GLN A 17 3.800 4.519 8.775 1.00 52.15 O ATOM 221 CB GLN A 17 3.514 3.856 11.645 1.00 32.43 C ATOM 222 CG GLN A 17 2.697 3.959 12.930 1.00 12.24 C ATOM 223 CD GLN A 17 3.393 4.747 14.012 1.00 50.40 C ATOM 224 OE1 GLN A 17 3.225 5.962 14.106 1.00 34.44 O ATOM 225 NE2 GLN A 17 4.162 4.078 14.825 1.00 10.41 N ATOM 0 H GLN A 17 1.919 5.586 10.724 1.00 24.40 H new ATOM 0 HA GLN A 17 4.663 5.675 11.690 1.00 23.14 H new ATOM 0 HB2 GLN A 17 2.933 3.304 10.906 1.00 32.43 H new ATOM 0 HB3 GLN A 17 4.410 3.270 11.848 1.00 32.43 H new ATOM 0 HG2 GLN A 17 1.738 4.427 12.707 1.00 12.24 H new ATOM 0 HG3 GLN A 17 2.484 2.956 13.299 1.00 12.24 H new ATOM 0 HE21 GLN A 17 4.272 3.071 14.710 1.00 10.41 H new ATOM 0 HE22 GLN A 17 4.653 4.562 15.576 1.00 10.41 H new ATOM 234 N ARG A 18 5.774 5.197 9.506 1.00 0.52 N ATOM 235 CA ARG A 18 6.398 4.901 8.253 1.00 44.42 C ATOM 236 C ARG A 18 6.877 3.477 8.273 1.00 45.53 C ATOM 237 O ARG A 18 7.502 3.039 9.251 1.00 40.42 O ATOM 238 CB ARG A 18 7.601 5.769 7.979 1.00 63.24 C ATOM 239 CG ARG A 18 7.359 7.250 7.998 1.00 13.13 C ATOM 240 CD ARG A 18 8.530 7.936 7.350 1.00 55.52 C ATOM 241 NE ARG A 18 9.807 7.552 7.976 1.00 13.21 N ATOM 242 CZ ARG A 18 11.007 7.645 7.381 1.00 74.10 C ATOM 243 NH1 ARG A 18 11.124 8.207 6.171 1.00 75.32 N ATOM 244 NH2 ARG A 18 12.083 7.179 7.997 1.00 10.22 N ATOM 0 H ARG A 18 6.385 5.609 10.211 1.00 0.52 H new ATOM 0 HA ARG A 18 5.653 5.082 7.478 1.00 44.42 H new ATOM 0 HB2 ARG A 18 8.368 5.536 8.717 1.00 63.24 H new ATOM 0 HB3 ARG A 18 8.005 5.499 7.003 1.00 63.24 H new ATOM 0 HG2 ARG A 18 6.438 7.490 7.466 1.00 13.13 H new ATOM 0 HG3 ARG A 18 7.235 7.600 9.023 1.00 13.13 H new ATOM 0 HD2 ARG A 18 8.556 7.686 6.289 1.00 55.52 H new ATOM 0 HD3 ARG A 18 8.402 9.016 7.420 1.00 55.52 H new ATOM 0 HE ARG A 18 9.777 7.190 8.929 1.00 13.21 H new ATOM 0 HH11 ARG A 18 10.298 8.568 5.694 1.00 75.32 H new ATOM 0 HH12 ARG A 18 12.039 8.274 5.726 1.00 75.32 H new ATOM 0 HH21 ARG A 18 11.998 6.752 8.919 1.00 10.22 H new ATOM 0 HH22 ARG A 18 12.997 7.247 7.549 1.00 10.22 H new ATOM 258 N LEU A 19 6.602 2.761 7.242 1.00 60.00 N ATOM 259 CA LEU A 19 7.075 1.413 7.131 1.00 73.44 C ATOM 260 C LEU A 19 8.251 1.386 6.191 1.00 72.03 C ATOM 261 O LEU A 19 8.277 2.147 5.223 1.00 61.33 O ATOM 262 CB LEU A 19 5.982 0.442 6.619 1.00 62.14 C ATOM 263 CG LEU A 19 4.770 0.160 7.532 1.00 73.44 C ATOM 264 CD1 LEU A 19 3.875 1.372 7.724 1.00 4.44 C ATOM 265 CD2 LEU A 19 3.981 -1.006 7.004 1.00 61.43 C ATOM 0 H LEU A 19 6.046 3.084 6.450 1.00 60.00 H new ATOM 0 HA LEU A 19 7.364 1.077 8.127 1.00 73.44 H new ATOM 0 HB2 LEU A 19 5.603 0.835 5.675 1.00 62.14 H new ATOM 0 HB3 LEU A 19 6.461 -0.512 6.398 1.00 62.14 H new ATOM 0 HG LEU A 19 5.167 -0.088 8.517 1.00 73.44 H new ATOM 0 HD11 LEU A 19 3.041 1.109 8.375 1.00 4.44 H new ATOM 0 HD12 LEU A 19 4.449 2.180 8.177 1.00 4.44 H new ATOM 0 HD13 LEU A 19 3.491 1.698 6.757 1.00 4.44 H new ATOM 0 HD21 LEU A 19 3.129 -1.194 7.657 1.00 61.43 H new ATOM 0 HD22 LEU A 19 3.625 -0.779 5.999 1.00 61.43 H new ATOM 0 HD23 LEU A 19 4.617 -1.891 6.972 1.00 61.43 H new ATOM 277 N PRO A 20 9.273 0.552 6.475 1.00 71.13 N ATOM 278 CA PRO A 20 10.389 0.377 5.565 1.00 33.51 C ATOM 279 C PRO A 20 9.868 -0.108 4.221 1.00 13.34 C ATOM 280 O PRO A 20 9.014 -1.008 4.159 1.00 42.02 O ATOM 281 CB PRO A 20 11.272 -0.694 6.224 1.00 22.13 C ATOM 282 CG PRO A 20 10.468 -1.256 7.349 1.00 53.25 C ATOM 283 CD PRO A 20 9.413 -0.247 7.700 1.00 60.53 C ATOM 0 HA PRO A 20 10.942 1.299 5.387 1.00 33.51 H new ATOM 0 HB2 PRO A 20 11.540 -1.472 5.509 1.00 22.13 H new ATOM 0 HB3 PRO A 20 12.204 -0.261 6.589 1.00 22.13 H new ATOM 0 HG2 PRO A 20 10.012 -2.202 7.058 1.00 53.25 H new ATOM 0 HG3 PRO A 20 11.104 -1.460 8.210 1.00 53.25 H new ATOM 0 HD2 PRO A 20 8.474 -0.728 7.974 1.00 60.53 H new ATOM 0 HD3 PRO A 20 9.714 0.369 8.547 1.00 60.53 H new ATOM 291 N CYS A 21 10.387 0.454 3.161 1.00 33.25 N ATOM 292 CA CYS A 21 9.886 0.205 1.818 1.00 21.34 C ATOM 293 C CYS A 21 10.181 -1.242 1.386 1.00 20.43 C ATOM 294 O CYS A 21 9.639 -1.745 0.400 1.00 62.13 O ATOM 295 CB CYS A 21 10.512 1.209 0.843 1.00 35.42 C ATOM 296 SG CYS A 21 9.535 1.507 -0.654 1.00 74.12 S ATOM 0 H CYS A 21 11.174 1.102 3.196 1.00 33.25 H new ATOM 0 HA CYS A 21 8.804 0.336 1.811 1.00 21.34 H new ATOM 0 HB2 CYS A 21 10.659 2.157 1.361 1.00 35.42 H new ATOM 0 HB3 CYS A 21 11.499 0.848 0.553 1.00 35.42 H new ATOM 301 N SER A 22 11.024 -1.901 2.160 1.00 43.02 N ATOM 302 CA SER A 22 11.381 -3.279 1.946 1.00 34.14 C ATOM 303 C SER A 22 10.212 -4.208 2.362 1.00 22.05 C ATOM 304 O SER A 22 10.157 -5.373 1.976 1.00 41.23 O ATOM 305 CB SER A 22 12.609 -3.577 2.796 1.00 15.31 C ATOM 306 OG SER A 22 13.608 -2.588 2.582 1.00 54.33 O ATOM 0 H SER A 22 11.484 -1.480 2.967 1.00 43.02 H new ATOM 0 HA SER A 22 11.593 -3.455 0.891 1.00 34.14 H new ATOM 0 HB2 SER A 22 12.333 -3.603 3.850 1.00 15.31 H new ATOM 0 HB3 SER A 22 13.003 -4.562 2.546 1.00 15.31 H new ATOM 0 HG SER A 22 14.392 -2.789 3.135 1.00 54.33 H new ATOM 312 N ARG A 23 9.273 -3.678 3.149 1.00 43.25 N ATOM 313 CA ARG A 23 8.132 -4.468 3.603 1.00 35.41 C ATOM 314 C ARG A 23 6.939 -4.301 2.678 1.00 74.35 C ATOM 315 O ARG A 23 5.930 -4.983 2.835 1.00 21.44 O ATOM 316 CB ARG A 23 7.731 -4.117 5.049 1.00 33.12 C ATOM 317 CG ARG A 23 8.799 -4.427 6.088 1.00 11.11 C ATOM 318 CD ARG A 23 8.321 -4.106 7.501 1.00 22.14 C ATOM 319 NE ARG A 23 9.367 -4.380 8.502 1.00 20.45 N ATOM 320 CZ ARG A 23 9.283 -4.111 9.815 1.00 51.01 C ATOM 321 NH1 ARG A 23 8.180 -3.583 10.320 1.00 63.12 N ATOM 322 NH2 ARG A 23 10.301 -4.387 10.619 1.00 23.44 N ATOM 0 H ARG A 23 9.281 -2.714 3.481 1.00 43.25 H new ATOM 0 HA ARG A 23 8.446 -5.512 3.581 1.00 35.41 H new ATOM 0 HB2 ARG A 23 7.489 -3.055 5.099 1.00 33.12 H new ATOM 0 HB3 ARG A 23 6.823 -4.663 5.304 1.00 33.12 H new ATOM 0 HG2 ARG A 23 9.072 -5.481 6.027 1.00 11.11 H new ATOM 0 HG3 ARG A 23 9.698 -3.852 5.868 1.00 11.11 H new ATOM 0 HD2 ARG A 23 8.028 -3.058 7.557 1.00 22.14 H new ATOM 0 HD3 ARG A 23 7.434 -4.697 7.729 1.00 22.14 H new ATOM 0 HE ARG A 23 10.229 -4.811 8.169 1.00 20.45 H new ATOM 0 HH11 ARG A 23 7.388 -3.378 9.711 1.00 63.12 H new ATOM 0 HH12 ARG A 23 8.122 -3.381 11.318 1.00 63.12 H new ATOM 0 HH21 ARG A 23 11.151 -4.805 10.241 1.00 23.44 H new ATOM 0 HH22 ARG A 23 10.234 -4.181 11.616 1.00 23.44 H new ATOM 336 N ILE A 24 7.055 -3.401 1.709 1.00 32.34 N ATOM 337 CA ILE A 24 5.966 -3.154 0.779 1.00 34.42 C ATOM 338 C ILE A 24 5.842 -4.321 -0.199 1.00 53.25 C ATOM 339 O ILE A 24 6.823 -4.729 -0.838 1.00 1.04 O ATOM 340 CB ILE A 24 6.148 -1.839 -0.024 1.00 71.15 C ATOM 341 CG1 ILE A 24 6.254 -0.608 0.914 1.00 70.25 C ATOM 342 CG2 ILE A 24 4.969 -1.680 -0.970 1.00 2.11 C ATOM 343 CD1 ILE A 24 4.964 -0.206 1.614 1.00 23.14 C ATOM 0 H ILE A 24 7.888 -2.834 1.549 1.00 32.34 H new ATOM 0 HA ILE A 24 5.060 -3.054 1.376 1.00 34.42 H new ATOM 0 HB ILE A 24 7.079 -1.896 -0.588 1.00 71.15 H new ATOM 0 HG12 ILE A 24 7.009 -0.815 1.672 1.00 70.25 H new ATOM 0 HG13 ILE A 24 6.611 0.241 0.332 1.00 70.25 H new ATOM 0 HG21 ILE A 24 5.083 -0.759 -1.542 1.00 2.11 H new ATOM 0 HG22 ILE A 24 4.933 -2.529 -1.653 1.00 2.11 H new ATOM 0 HG23 ILE A 24 4.044 -1.638 -0.395 1.00 2.11 H new ATOM 0 HD11 ILE A 24 5.148 0.664 2.244 1.00 23.14 H new ATOM 0 HD12 ILE A 24 4.207 0.039 0.869 1.00 23.14 H new ATOM 0 HD13 ILE A 24 4.612 -1.033 2.231 1.00 23.14 H new ATOM 355 N LYS A 25 4.655 -4.855 -0.286 1.00 34.22 N ATOM 356 CA LYS A 25 4.372 -5.978 -1.141 1.00 15.42 C ATOM 357 C LYS A 25 3.467 -5.522 -2.285 1.00 50.40 C ATOM 358 O LYS A 25 3.680 -5.877 -3.440 1.00 34.00 O ATOM 359 CB LYS A 25 3.720 -7.043 -0.256 1.00 13.32 C ATOM 360 CG LYS A 25 3.433 -8.430 -0.848 1.00 43.03 C ATOM 361 CD LYS A 25 2.260 -8.451 -1.812 1.00 52.10 C ATOM 362 CE LYS A 25 1.944 -9.866 -2.262 1.00 10.01 C ATOM 363 NZ LYS A 25 3.080 -10.507 -2.949 1.00 52.23 N ATOM 0 H LYS A 25 3.847 -4.520 0.240 1.00 34.22 H new ATOM 0 HA LYS A 25 5.267 -6.395 -1.603 1.00 15.42 H new ATOM 0 HB2 LYS A 25 4.360 -7.183 0.615 1.00 13.32 H new ATOM 0 HB3 LYS A 25 2.775 -6.637 0.105 1.00 13.32 H new ATOM 0 HG2 LYS A 25 4.324 -8.786 -1.366 1.00 43.03 H new ATOM 0 HG3 LYS A 25 3.236 -9.129 -0.035 1.00 43.03 H new ATOM 0 HD2 LYS A 25 1.384 -8.015 -1.332 1.00 52.10 H new ATOM 0 HD3 LYS A 25 2.488 -7.833 -2.680 1.00 52.10 H new ATOM 0 HE2 LYS A 25 1.663 -10.465 -1.396 1.00 10.01 H new ATOM 0 HE3 LYS A 25 1.083 -9.848 -2.930 1.00 10.01 H new ATOM 0 HZ1 LYS A 25 2.769 -11.406 -3.369 1.00 52.23 H new ATOM 0 HZ2 LYS A 25 3.432 -9.878 -3.699 1.00 52.23 H new ATOM 0 HZ3 LYS A 25 3.842 -10.689 -2.265 1.00 52.23 H new ATOM 377 N THR A 26 2.475 -4.735 -1.957 1.00 0.43 N ATOM 378 CA THR A 26 1.555 -4.225 -2.940 1.00 60.42 C ATOM 379 C THR A 26 0.813 -3.049 -2.335 1.00 43.53 C ATOM 380 O THR A 26 0.847 -2.857 -1.108 1.00 52.21 O ATOM 381 CB THR A 26 0.530 -5.332 -3.379 1.00 55.20 C ATOM 382 OG1 THR A 26 -0.345 -4.848 -4.415 1.00 72.01 O ATOM 383 CG2 THR A 26 -0.314 -5.786 -2.201 1.00 43.32 C ATOM 0 H THR A 26 2.283 -4.430 -1.003 1.00 0.43 H new ATOM 0 HA THR A 26 2.109 -3.913 -3.825 1.00 60.42 H new ATOM 0 HB THR A 26 1.110 -6.173 -3.760 1.00 55.20 H new ATOM 0 HG1 THR A 26 -0.972 -5.556 -4.671 1.00 72.01 H new ATOM 0 HG21 THR A 26 -1.016 -6.552 -2.530 1.00 43.32 H new ATOM 0 HG22 THR A 26 0.334 -6.196 -1.426 1.00 43.32 H new ATOM 0 HG23 THR A 26 -0.867 -4.936 -1.800 1.00 43.32 H new ATOM 391 N TYR A 27 0.162 -2.272 -3.165 1.00 64.31 N ATOM 392 CA TYR A 27 -0.634 -1.181 -2.692 1.00 2.00 C ATOM 393 C TYR A 27 -1.908 -1.138 -3.495 1.00 44.22 C ATOM 394 O TYR A 27 -1.978 -1.704 -4.593 1.00 34.22 O ATOM 395 CB TYR A 27 0.092 0.189 -2.788 1.00 41.45 C ATOM 396 CG TYR A 27 0.273 0.749 -4.186 1.00 4.33 C ATOM 397 CD1 TYR A 27 -0.784 1.383 -4.824 1.00 70.15 C ATOM 398 CD2 TYR A 27 1.482 0.673 -4.849 1.00 62.11 C ATOM 399 CE1 TYR A 27 -0.658 1.915 -6.068 1.00 12.33 C ATOM 400 CE2 TYR A 27 1.621 1.213 -6.117 1.00 34.02 C ATOM 401 CZ TYR A 27 0.543 1.833 -6.720 1.00 64.44 C ATOM 402 OH TYR A 27 0.673 2.378 -7.975 1.00 52.13 O ATOM 0 H TYR A 27 0.172 -2.381 -4.179 1.00 64.31 H new ATOM 0 HA TYR A 27 -0.837 -1.350 -1.635 1.00 2.00 H new ATOM 0 HB2 TYR A 27 -0.465 0.915 -2.196 1.00 41.45 H new ATOM 0 HB3 TYR A 27 1.075 0.090 -2.328 1.00 41.45 H new ATOM 0 HD1 TYR A 27 -1.735 1.456 -4.317 1.00 70.15 H new ATOM 0 HD2 TYR A 27 2.324 0.190 -4.376 1.00 62.11 H new ATOM 0 HE1 TYR A 27 -1.500 2.400 -6.540 1.00 12.33 H new ATOM 0 HE2 TYR A 27 2.568 1.150 -6.632 1.00 34.02 H new ATOM 0 HH TYR A 27 1.469 2.949 -8.003 1.00 52.13 H new ATOM 412 N THR A 28 -2.888 -0.505 -2.957 1.00 10.43 N ATOM 413 CA THR A 28 -4.130 -0.297 -3.616 1.00 45.23 C ATOM 414 C THR A 28 -4.577 1.118 -3.290 1.00 32.32 C ATOM 415 O THR A 28 -4.762 1.444 -2.118 1.00 45.33 O ATOM 416 CB THR A 28 -5.197 -1.272 -3.086 1.00 24.31 C ATOM 417 OG1 THR A 28 -4.671 -2.613 -3.071 1.00 61.13 O ATOM 418 CG2 THR A 28 -6.438 -1.243 -3.971 1.00 2.01 C ATOM 0 H THR A 28 -2.848 -0.105 -2.019 1.00 10.43 H new ATOM 0 HA THR A 28 -4.011 -0.456 -4.688 1.00 45.23 H new ATOM 0 HB THR A 28 -5.467 -0.964 -2.076 1.00 24.31 H new ATOM 0 HG1 THR A 28 -5.354 -3.228 -2.731 1.00 61.13 H new ATOM 0 HG21 THR A 28 -7.180 -1.939 -3.580 1.00 2.01 H new ATOM 0 HG22 THR A 28 -6.854 -0.236 -3.981 1.00 2.01 H new ATOM 0 HG23 THR A 28 -6.168 -1.534 -4.986 1.00 2.01 H new ATOM 426 N ILE A 29 -4.716 1.959 -4.268 1.00 33.43 N ATOM 427 CA ILE A 29 -5.216 3.284 -4.005 1.00 44.44 C ATOM 428 C ILE A 29 -6.721 3.231 -4.143 1.00 14.22 C ATOM 429 O ILE A 29 -7.246 2.783 -5.171 1.00 52.55 O ATOM 430 CB ILE A 29 -4.600 4.368 -4.933 1.00 31.44 C ATOM 431 CG1 ILE A 29 -3.058 4.389 -4.784 1.00 52.33 C ATOM 432 CG2 ILE A 29 -5.184 5.747 -4.596 1.00 32.13 C ATOM 433 CD1 ILE A 29 -2.366 5.404 -5.659 1.00 41.31 C ATOM 0 H ILE A 29 -4.496 1.762 -5.244 1.00 33.43 H new ATOM 0 HA ILE A 29 -4.925 3.582 -2.998 1.00 44.44 H new ATOM 0 HB ILE A 29 -4.847 4.125 -5.966 1.00 31.44 H new ATOM 0 HG12 ILE A 29 -2.808 4.593 -3.743 1.00 52.33 H new ATOM 0 HG13 ILE A 29 -2.668 3.398 -5.018 1.00 52.33 H new ATOM 0 HG21 ILE A 29 -4.745 6.498 -5.252 1.00 32.13 H new ATOM 0 HG22 ILE A 29 -6.265 5.729 -4.737 1.00 32.13 H new ATOM 0 HG23 ILE A 29 -4.957 5.994 -3.559 1.00 32.13 H new ATOM 0 HD11 ILE A 29 -1.290 5.353 -5.494 1.00 41.31 H new ATOM 0 HD12 ILE A 29 -2.583 5.190 -6.706 1.00 41.31 H new ATOM 0 HD13 ILE A 29 -2.725 6.403 -5.411 1.00 41.31 H new ATOM 445 N THR A 30 -7.407 3.650 -3.122 1.00 75.35 N ATOM 446 CA THR A 30 -8.833 3.480 -3.056 1.00 64.42 C ATOM 447 C THR A 30 -9.501 4.794 -2.817 1.00 21.10 C ATOM 448 O THR A 30 -8.927 5.665 -2.175 1.00 62.00 O ATOM 449 CB THR A 30 -9.201 2.512 -1.912 1.00 31.03 C ATOM 450 OG1 THR A 30 -8.680 3.020 -0.662 1.00 11.22 O ATOM 451 CG2 THR A 30 -8.626 1.132 -2.171 1.00 4.14 C ATOM 0 H THR A 30 -6.999 4.118 -2.313 1.00 75.35 H new ATOM 0 HA THR A 30 -9.173 3.068 -4.006 1.00 64.42 H new ATOM 0 HB THR A 30 -10.287 2.435 -1.859 1.00 31.03 H new ATOM 0 HG1 THR A 30 -7.742 3.279 -0.780 1.00 11.22 H new ATOM 0 HG21 THR A 30 -8.897 0.465 -1.352 1.00 4.14 H new ATOM 0 HG22 THR A 30 -9.027 0.740 -3.106 1.00 4.14 H new ATOM 0 HG23 THR A 30 -7.540 1.197 -2.241 1.00 4.14 H new ATOM 459 N GLU A 31 -10.694 4.947 -3.310 1.00 12.42 N ATOM 460 CA GLU A 31 -11.418 6.169 -3.143 1.00 3.34 C ATOM 461 C GLU A 31 -12.775 5.936 -2.481 1.00 52.13 C ATOM 462 O GLU A 31 -13.521 5.004 -2.836 1.00 34.21 O ATOM 463 CB GLU A 31 -11.566 6.896 -4.482 1.00 5.44 C ATOM 464 CG GLU A 31 -12.223 6.082 -5.572 1.00 21.40 C ATOM 465 CD GLU A 31 -12.378 6.862 -6.843 1.00 3.31 C ATOM 466 OE1 GLU A 31 -11.389 7.008 -7.578 1.00 53.05 O ATOM 467 OE2 GLU A 31 -13.500 7.328 -7.142 1.00 5.00 O ATOM 0 H GLU A 31 -11.191 4.229 -3.838 1.00 12.42 H new ATOM 0 HA GLU A 31 -10.843 6.808 -2.473 1.00 3.34 H new ATOM 0 HB2 GLU A 31 -12.148 7.804 -4.325 1.00 5.44 H new ATOM 0 HB3 GLU A 31 -10.578 7.205 -4.823 1.00 5.44 H new ATOM 0 HG2 GLU A 31 -11.628 5.189 -5.765 1.00 21.40 H new ATOM 0 HG3 GLU A 31 -13.202 5.745 -5.232 1.00 21.40 H new ATOM 474 N GLY A 32 -13.063 6.753 -1.512 1.00 32.34 N ATOM 475 CA GLY A 32 -14.326 6.727 -0.818 1.00 15.31 C ATOM 476 C GLY A 32 -14.496 8.007 -0.049 1.00 33.54 C ATOM 477 O GLY A 32 -14.444 8.006 1.183 1.00 24.44 O ATOM 0 H GLY A 32 -12.421 7.469 -1.173 1.00 32.34 H new ATOM 0 HA2 GLY A 32 -15.143 6.606 -1.530 1.00 15.31 H new ATOM 0 HA3 GLY A 32 -14.364 5.874 -0.140 1.00 15.31 H new ATOM 481 N SER A 33 -14.653 9.118 -0.795 1.00 4.34 N ATOM 482 CA SER A 33 -14.729 10.486 -0.235 1.00 1.40 C ATOM 483 C SER A 33 -13.387 10.860 0.419 1.00 74.25 C ATOM 484 O SER A 33 -13.271 11.840 1.171 1.00 50.41 O ATOM 485 CB SER A 33 -15.891 10.601 0.757 1.00 72.21 C ATOM 486 OG SER A 33 -17.133 10.307 0.114 1.00 55.13 O ATOM 0 H SER A 33 -14.731 9.093 -1.812 1.00 4.34 H new ATOM 0 HA SER A 33 -14.921 11.192 -1.043 1.00 1.40 H new ATOM 0 HB2 SER A 33 -15.735 9.915 1.589 1.00 72.21 H new ATOM 0 HB3 SER A 33 -15.921 11.607 1.175 1.00 72.21 H new ATOM 0 HG SER A 33 -17.863 10.384 0.763 1.00 55.13 H new ATOM 492 N LEU A 34 -12.387 10.097 0.048 1.00 33.24 N ATOM 493 CA LEU A 34 -11.043 10.147 0.552 1.00 13.00 C ATOM 494 C LEU A 34 -10.281 9.058 -0.163 1.00 31.10 C ATOM 495 O LEU A 34 -10.783 7.927 -0.269 1.00 52.25 O ATOM 496 CB LEU A 34 -11.034 9.846 2.072 1.00 4.41 C ATOM 497 CG LEU A 34 -9.672 9.753 2.756 1.00 22.11 C ATOM 498 CD1 LEU A 34 -8.911 11.067 2.670 1.00 51.22 C ATOM 499 CD2 LEU A 34 -9.824 9.305 4.199 1.00 50.53 C ATOM 0 H LEU A 34 -12.503 9.376 -0.664 1.00 33.24 H new ATOM 0 HA LEU A 34 -10.603 11.131 0.390 1.00 13.00 H new ATOM 0 HB2 LEU A 34 -11.612 10.622 2.574 1.00 4.41 H new ATOM 0 HB3 LEU A 34 -11.558 8.904 2.233 1.00 4.41 H new ATOM 0 HG LEU A 34 -9.086 9.003 2.225 1.00 22.11 H new ATOM 0 HD11 LEU A 34 -7.947 10.962 3.168 1.00 51.22 H new ATOM 0 HD12 LEU A 34 -8.753 11.328 1.624 1.00 51.22 H new ATOM 0 HD13 LEU A 34 -9.487 11.854 3.157 1.00 51.22 H new ATOM 0 HD21 LEU A 34 -8.841 9.246 4.667 1.00 50.53 H new ATOM 0 HD22 LEU A 34 -10.441 10.023 4.740 1.00 50.53 H new ATOM 0 HD23 LEU A 34 -10.299 8.324 4.227 1.00 50.53 H new ATOM 511 N ARG A 35 -9.129 9.361 -0.688 1.00 2.35 N ATOM 512 CA ARG A 35 -8.350 8.336 -1.317 1.00 21.04 C ATOM 513 C ARG A 35 -7.234 7.911 -0.399 1.00 4.42 C ATOM 514 O ARG A 35 -6.441 8.727 0.064 1.00 3.41 O ATOM 515 CB ARG A 35 -7.839 8.728 -2.721 1.00 62.45 C ATOM 516 CG ARG A 35 -6.904 9.896 -2.737 1.00 0.41 C ATOM 517 CD ARG A 35 -6.532 10.310 -4.146 1.00 35.52 C ATOM 518 NE ARG A 35 -5.755 11.551 -4.138 1.00 30.41 N ATOM 519 CZ ARG A 35 -5.310 12.197 -5.216 1.00 63.45 C ATOM 520 NH1 ARG A 35 -5.496 11.695 -6.428 1.00 33.14 N ATOM 521 NH2 ARG A 35 -4.668 13.340 -5.075 1.00 75.53 N ATOM 0 H ARG A 35 -8.714 10.293 -0.694 1.00 2.35 H new ATOM 0 HA ARG A 35 -9.006 7.483 -1.490 1.00 21.04 H new ATOM 0 HB2 ARG A 35 -7.335 7.869 -3.163 1.00 62.45 H new ATOM 0 HB3 ARG A 35 -8.696 8.956 -3.355 1.00 62.45 H new ATOM 0 HG2 ARG A 35 -7.368 10.738 -2.223 1.00 0.41 H new ATOM 0 HG3 ARG A 35 -6.000 9.643 -2.183 1.00 0.41 H new ATOM 0 HD2 ARG A 35 -5.954 9.518 -4.622 1.00 35.52 H new ATOM 0 HD3 ARG A 35 -7.436 10.446 -4.740 1.00 35.52 H new ATOM 0 HE ARG A 35 -5.535 11.957 -3.228 1.00 30.41 H new ATOM 0 HH11 ARG A 35 -5.984 10.806 -6.543 1.00 33.14 H new ATOM 0 HH12 ARG A 35 -5.152 12.197 -7.246 1.00 33.14 H new ATOM 0 HH21 ARG A 35 -4.513 13.727 -4.144 1.00 75.53 H new ATOM 0 HH22 ARG A 35 -4.326 13.838 -5.897 1.00 75.53 H new ATOM 535 N ALA A 36 -7.204 6.661 -0.110 1.00 43.24 N ATOM 536 CA ALA A 36 -6.227 6.110 0.765 1.00 5.10 C ATOM 537 C ALA A 36 -5.494 5.030 0.048 1.00 52.35 C ATOM 538 O ALA A 36 -6.104 4.242 -0.697 1.00 21.43 O ATOM 539 CB ALA A 36 -6.897 5.550 2.012 1.00 13.23 C ATOM 0 H ALA A 36 -7.867 5.979 -0.479 1.00 43.24 H new ATOM 0 HA ALA A 36 -5.527 6.888 1.071 1.00 5.10 H new ATOM 0 HB1 ALA A 36 -6.140 5.131 2.675 1.00 13.23 H new ATOM 0 HB2 ALA A 36 -7.430 6.348 2.529 1.00 13.23 H new ATOM 0 HB3 ALA A 36 -7.602 4.769 1.727 1.00 13.23 H new ATOM 545 N VAL A 37 -4.209 4.994 0.217 1.00 33.21 N ATOM 546 CA VAL A 37 -3.441 3.967 -0.377 1.00 32.22 C ATOM 547 C VAL A 37 -3.179 2.875 0.650 1.00 32.02 C ATOM 548 O VAL A 37 -2.546 3.089 1.684 1.00 3.04 O ATOM 549 CB VAL A 37 -2.146 4.494 -1.056 1.00 51.31 C ATOM 550 CG1 VAL A 37 -1.274 5.263 -0.097 1.00 22.12 C ATOM 551 CG2 VAL A 37 -1.374 3.362 -1.700 1.00 32.13 C ATOM 0 H VAL A 37 -3.677 5.670 0.765 1.00 33.21 H new ATOM 0 HA VAL A 37 -4.016 3.534 -1.196 1.00 32.22 H new ATOM 0 HB VAL A 37 -2.454 5.189 -1.837 1.00 51.31 H new ATOM 0 HG11 VAL A 37 -0.381 5.611 -0.616 1.00 22.12 H new ATOM 0 HG12 VAL A 37 -1.826 6.119 0.290 1.00 22.12 H new ATOM 0 HG13 VAL A 37 -0.983 4.615 0.730 1.00 22.12 H new ATOM 0 HG21 VAL A 37 -0.472 3.757 -2.168 1.00 32.13 H new ATOM 0 HG22 VAL A 37 -1.098 2.631 -0.940 1.00 32.13 H new ATOM 0 HG23 VAL A 37 -1.995 2.882 -2.456 1.00 32.13 H new ATOM 561 N ILE A 38 -3.716 1.741 0.379 1.00 40.21 N ATOM 562 CA ILE A 38 -3.645 0.625 1.275 1.00 44.54 C ATOM 563 C ILE A 38 -2.498 -0.269 0.868 1.00 2.45 C ATOM 564 O ILE A 38 -2.478 -0.801 -0.242 1.00 34.24 O ATOM 565 CB ILE A 38 -4.982 -0.167 1.260 1.00 23.45 C ATOM 566 CG1 ILE A 38 -6.134 0.778 1.651 1.00 21.20 C ATOM 567 CG2 ILE A 38 -4.917 -1.374 2.207 1.00 32.43 C ATOM 568 CD1 ILE A 38 -7.503 0.144 1.612 1.00 45.23 C ATOM 0 H ILE A 38 -4.227 1.551 -0.483 1.00 40.21 H new ATOM 0 HA ILE A 38 -3.476 0.987 2.289 1.00 44.54 H new ATOM 0 HB ILE A 38 -5.159 -0.552 0.256 1.00 23.45 H new ATOM 0 HG12 ILE A 38 -5.951 1.157 2.657 1.00 21.20 H new ATOM 0 HG13 ILE A 38 -6.126 1.637 0.980 1.00 21.20 H new ATOM 0 HG21 ILE A 38 -5.865 -1.911 2.178 1.00 32.43 H new ATOM 0 HG22 ILE A 38 -4.113 -2.040 1.893 1.00 32.43 H new ATOM 0 HG23 ILE A 38 -4.727 -1.029 3.223 1.00 32.43 H new ATOM 0 HD11 ILE A 38 -8.253 0.880 1.901 1.00 45.23 H new ATOM 0 HD12 ILE A 38 -7.712 -0.209 0.602 1.00 45.23 H new ATOM 0 HD13 ILE A 38 -7.534 -0.697 2.304 1.00 45.23 H new ATOM 580 N PHE A 39 -1.550 -0.403 1.736 1.00 2.40 N ATOM 581 CA PHE A 39 -0.397 -1.221 1.492 1.00 10.51 C ATOM 582 C PHE A 39 -0.527 -2.513 2.187 1.00 12.41 C ATOM 583 O PHE A 39 -1.006 -2.582 3.310 1.00 50.23 O ATOM 584 CB PHE A 39 0.899 -0.549 1.940 1.00 21.14 C ATOM 585 CG PHE A 39 1.302 0.603 1.107 1.00 24.24 C ATOM 586 CD1 PHE A 39 2.045 0.396 -0.033 1.00 34.31 C ATOM 587 CD2 PHE A 39 0.955 1.880 1.450 1.00 35.23 C ATOM 588 CE1 PHE A 39 2.433 1.444 -0.824 1.00 3.20 C ATOM 589 CE2 PHE A 39 1.339 2.937 0.665 1.00 53.15 C ATOM 590 CZ PHE A 39 2.081 2.713 -0.478 1.00 22.44 C ATOM 0 H PHE A 39 -1.550 0.056 2.647 1.00 2.40 H new ATOM 0 HA PHE A 39 -0.347 -1.374 0.414 1.00 10.51 H new ATOM 0 HB2 PHE A 39 0.785 -0.215 2.971 1.00 21.14 H new ATOM 0 HB3 PHE A 39 1.700 -1.288 1.931 1.00 21.14 H new ATOM 0 HD1 PHE A 39 2.327 -0.610 -0.308 1.00 34.31 H new ATOM 0 HD2 PHE A 39 0.375 2.057 2.344 1.00 35.23 H new ATOM 0 HE1 PHE A 39 3.014 1.265 -1.716 1.00 3.20 H new ATOM 0 HE2 PHE A 39 1.061 3.944 0.940 1.00 53.15 H new ATOM 0 HZ PHE A 39 2.382 3.545 -1.098 1.00 22.44 H new ATOM 600 N ILE A 40 -0.134 -3.537 1.538 1.00 62.52 N ATOM 601 CA ILE A 40 -0.120 -4.804 2.154 1.00 24.12 C ATOM 602 C ILE A 40 1.337 -5.165 2.277 1.00 52.31 C ATOM 603 O ILE A 40 2.105 -4.970 1.314 1.00 25.34 O ATOM 604 CB ILE A 40 -0.847 -5.882 1.312 1.00 72.23 C ATOM 605 CG1 ILE A 40 -2.205 -5.362 0.783 1.00 64.44 C ATOM 606 CG2 ILE A 40 -1.079 -7.112 2.180 1.00 24.04 C ATOM 607 CD1 ILE A 40 -3.209 -4.973 1.856 1.00 41.52 C ATOM 0 H ILE A 40 0.186 -3.523 0.570 1.00 62.52 H new ATOM 0 HA ILE A 40 -0.640 -4.765 3.111 1.00 24.12 H new ATOM 0 HB ILE A 40 -0.223 -6.132 0.454 1.00 72.23 H new ATOM 0 HG12 ILE A 40 -2.022 -4.496 0.147 1.00 64.44 H new ATOM 0 HG13 ILE A 40 -2.650 -6.132 0.152 1.00 64.44 H new ATOM 0 HG21 ILE A 40 -1.591 -7.878 1.597 1.00 24.04 H new ATOM 0 HG22 ILE A 40 -0.121 -7.499 2.526 1.00 24.04 H new ATOM 0 HG23 ILE A 40 -1.692 -6.840 3.039 1.00 24.04 H new ATOM 0 HD11 ILE A 40 -4.127 -4.622 1.385 1.00 41.52 H new ATOM 0 HD12 ILE A 40 -3.429 -5.840 2.479 1.00 41.52 H new ATOM 0 HD13 ILE A 40 -2.791 -4.178 2.474 1.00 41.52 H new ATOM 619 N THR A 41 1.739 -5.623 3.424 1.00 34.15 N ATOM 620 CA THR A 41 3.115 -5.959 3.631 1.00 30.32 C ATOM 621 C THR A 41 3.391 -7.399 3.229 1.00 22.34 C ATOM 622 O THR A 41 2.454 -8.178 2.955 1.00 51.23 O ATOM 623 CB THR A 41 3.529 -5.732 5.100 1.00 1.42 C ATOM 624 OG1 THR A 41 2.690 -6.506 5.986 1.00 61.34 O ATOM 625 CG2 THR A 41 3.427 -4.261 5.456 1.00 44.42 C ATOM 0 H THR A 41 1.134 -5.773 4.231 1.00 34.15 H new ATOM 0 HA THR A 41 3.711 -5.301 2.999 1.00 30.32 H new ATOM 0 HB THR A 41 4.563 -6.056 5.218 1.00 1.42 H new ATOM 0 HG1 THR A 41 2.966 -6.353 6.914 1.00 61.34 H new ATOM 0 HG21 THR A 41 3.722 -4.117 6.495 1.00 44.42 H new ATOM 0 HG22 THR A 41 4.086 -3.683 4.808 1.00 44.42 H new ATOM 0 HG23 THR A 41 2.399 -3.924 5.321 1.00 44.42 H new ATOM 633 N LYS A 42 4.659 -7.762 3.205 1.00 50.02 N ATOM 634 CA LYS A 42 5.078 -9.118 2.853 1.00 62.11 C ATOM 635 C LYS A 42 4.774 -10.079 4.003 1.00 32.14 C ATOM 636 O LYS A 42 4.874 -11.298 3.866 1.00 43.42 O ATOM 637 CB LYS A 42 6.563 -9.130 2.495 1.00 64.31 C ATOM 638 CG LYS A 42 6.896 -8.218 1.327 1.00 74.32 C ATOM 639 CD LYS A 42 8.376 -8.205 1.020 1.00 52.44 C ATOM 640 CE LYS A 42 8.670 -7.280 -0.150 1.00 43.23 C ATOM 641 NZ LYS A 42 10.111 -7.215 -0.460 1.00 5.24 N ATOM 0 H LYS A 42 5.430 -7.133 3.427 1.00 50.02 H new ATOM 0 HA LYS A 42 4.518 -9.453 1.980 1.00 62.11 H new ATOM 0 HB2 LYS A 42 7.144 -8.825 3.365 1.00 64.31 H new ATOM 0 HB3 LYS A 42 6.865 -10.149 2.252 1.00 64.31 H new ATOM 0 HG2 LYS A 42 6.346 -8.544 0.444 1.00 74.32 H new ATOM 0 HG3 LYS A 42 6.564 -7.205 1.553 1.00 74.32 H new ATOM 0 HD2 LYS A 42 8.933 -7.878 1.898 1.00 52.44 H new ATOM 0 HD3 LYS A 42 8.714 -9.215 0.786 1.00 52.44 H new ATOM 0 HE2 LYS A 42 8.126 -7.625 -1.029 1.00 43.23 H new ATOM 0 HE3 LYS A 42 8.304 -6.279 0.079 1.00 43.23 H new ATOM 0 HZ1 LYS A 42 10.243 -6.836 -1.420 1.00 5.24 H new ATOM 0 HZ2 LYS A 42 10.586 -6.594 0.226 1.00 5.24 H new ATOM 0 HZ3 LYS A 42 10.521 -8.169 -0.405 1.00 5.24 H new ATOM 655 N ARG A 43 4.418 -9.499 5.138 1.00 43.43 N ATOM 656 CA ARG A 43 3.967 -10.243 6.293 1.00 11.15 C ATOM 657 C ARG A 43 2.472 -10.570 6.123 1.00 4.31 C ATOM 658 O ARG A 43 1.934 -11.473 6.765 1.00 71.01 O ATOM 659 CB ARG A 43 4.207 -9.409 7.563 1.00 54.33 C ATOM 660 CG ARG A 43 3.733 -10.053 8.859 1.00 0.33 C ATOM 661 CD ARG A 43 4.013 -9.157 10.049 1.00 71.03 C ATOM 662 NE ARG A 43 3.476 -9.710 11.297 1.00 14.03 N ATOM 663 CZ ARG A 43 3.537 -9.104 12.495 1.00 30.24 C ATOM 664 NH1 ARG A 43 4.147 -7.930 12.629 1.00 71.22 N ATOM 665 NH2 ARG A 43 2.995 -9.676 13.551 1.00 54.25 N ATOM 0 H ARG A 43 4.436 -8.489 5.280 1.00 43.43 H new ATOM 0 HA ARG A 43 4.523 -11.176 6.385 1.00 11.15 H new ATOM 0 HB2 ARG A 43 5.274 -9.203 7.647 1.00 54.33 H new ATOM 0 HB3 ARG A 43 3.705 -8.448 7.448 1.00 54.33 H new ATOM 0 HG2 ARG A 43 2.664 -10.257 8.797 1.00 0.33 H new ATOM 0 HG3 ARG A 43 4.233 -11.012 8.996 1.00 0.33 H new ATOM 0 HD2 ARG A 43 5.089 -9.015 10.150 1.00 71.03 H new ATOM 0 HD3 ARG A 43 3.577 -8.174 9.872 1.00 71.03 H new ATOM 0 HE ARG A 43 3.022 -10.623 11.252 1.00 14.03 H new ATOM 0 HH11 ARG A 43 4.574 -7.482 11.818 1.00 71.22 H new ATOM 0 HH12 ARG A 43 4.188 -7.478 13.542 1.00 71.22 H new ATOM 0 HH21 ARG A 43 2.529 -10.579 13.459 1.00 54.25 H new ATOM 0 HH22 ARG A 43 3.041 -9.216 14.460 1.00 54.25 H new ATOM 679 N GLY A 44 1.819 -9.835 5.234 1.00 10.10 N ATOM 680 CA GLY A 44 0.422 -10.063 4.954 1.00 65.11 C ATOM 681 C GLY A 44 -0.495 -9.126 5.704 1.00 41.01 C ATOM 682 O GLY A 44 -1.713 -9.321 5.713 1.00 40.54 O ATOM 0 H GLY A 44 2.241 -9.077 4.698 1.00 10.10 H new ATOM 0 HA2 GLY A 44 0.249 -9.951 3.884 1.00 65.11 H new ATOM 0 HA3 GLY A 44 0.170 -11.092 5.211 1.00 65.11 H new ATOM 686 N LEU A 45 0.070 -8.116 6.322 1.00 63.12 N ATOM 687 CA LEU A 45 -0.725 -7.160 7.064 1.00 43.34 C ATOM 688 C LEU A 45 -1.208 -6.075 6.175 1.00 23.24 C ATOM 689 O LEU A 45 -0.558 -5.713 5.193 1.00 2.03 O ATOM 690 CB LEU A 45 0.038 -6.573 8.240 1.00 64.21 C ATOM 691 CG LEU A 45 0.430 -7.543 9.339 1.00 24.15 C ATOM 692 CD1 LEU A 45 1.183 -6.815 10.419 1.00 25.54 C ATOM 693 CD2 LEU A 45 -0.799 -8.217 9.923 1.00 45.21 C ATOM 0 H LEU A 45 1.073 -7.933 6.327 1.00 63.12 H new ATOM 0 HA LEU A 45 -1.583 -7.701 7.464 1.00 43.34 H new ATOM 0 HB2 LEU A 45 0.945 -6.103 7.859 1.00 64.21 H new ATOM 0 HB3 LEU A 45 -0.569 -5.783 8.682 1.00 64.21 H new ATOM 0 HG LEU A 45 1.072 -8.312 8.911 1.00 24.15 H new ATOM 0 HD11 LEU A 45 1.461 -7.517 11.205 1.00 25.54 H new ATOM 0 HD12 LEU A 45 2.083 -6.367 9.997 1.00 25.54 H new ATOM 0 HD13 LEU A 45 0.551 -6.032 10.839 1.00 25.54 H new ATOM 0 HD21 LEU A 45 -0.496 -8.908 10.709 1.00 45.21 H new ATOM 0 HD22 LEU A 45 -1.464 -7.461 10.341 1.00 45.21 H new ATOM 0 HD23 LEU A 45 -1.320 -8.766 9.139 1.00 45.21 H new ATOM 705 N LYS A 46 -2.339 -5.565 6.524 1.00 14.23 N ATOM 706 CA LYS A 46 -2.993 -4.541 5.775 1.00 53.11 C ATOM 707 C LYS A 46 -2.748 -3.228 6.445 1.00 41.10 C ATOM 708 O LYS A 46 -3.145 -3.013 7.595 1.00 35.13 O ATOM 709 CB LYS A 46 -4.467 -4.852 5.753 1.00 35.50 C ATOM 710 CG LYS A 46 -4.761 -6.188 5.110 1.00 14.33 C ATOM 711 CD LYS A 46 -6.163 -6.649 5.405 1.00 22.31 C ATOM 712 CE LYS A 46 -7.204 -5.674 4.862 1.00 22.33 C ATOM 713 NZ LYS A 46 -8.582 -6.061 5.228 1.00 34.41 N ATOM 0 H LYS A 46 -2.849 -5.854 7.358 1.00 14.23 H new ATOM 0 HA LYS A 46 -2.614 -4.493 4.754 1.00 53.11 H new ATOM 0 HB2 LYS A 46 -4.852 -4.849 6.773 1.00 35.50 H new ATOM 0 HB3 LYS A 46 -4.994 -4.067 5.211 1.00 35.50 H new ATOM 0 HG2 LYS A 46 -4.622 -6.112 4.032 1.00 14.33 H new ATOM 0 HG3 LYS A 46 -4.050 -6.931 5.471 1.00 14.33 H new ATOM 0 HD2 LYS A 46 -6.322 -7.634 4.965 1.00 22.31 H new ATOM 0 HD3 LYS A 46 -6.292 -6.756 6.482 1.00 22.31 H new ATOM 0 HE2 LYS A 46 -6.996 -4.675 5.244 1.00 22.33 H new ATOM 0 HE3 LYS A 46 -7.120 -5.624 3.776 1.00 22.33 H new ATOM 0 HZ1 LYS A 46 -9.256 -5.408 4.781 1.00 34.41 H new ATOM 0 HZ2 LYS A 46 -8.769 -7.030 4.900 1.00 34.41 H new ATOM 0 HZ3 LYS A 46 -8.692 -6.018 6.261 1.00 34.41 H new ATOM 727 N VAL A 47 -2.106 -2.378 5.749 1.00 31.20 N ATOM 728 CA VAL A 47 -1.727 -1.083 6.252 1.00 15.54 C ATOM 729 C VAL A 47 -2.418 -0.005 5.434 1.00 70.23 C ATOM 730 O VAL A 47 -2.667 -0.189 4.255 1.00 24.40 O ATOM 731 CB VAL A 47 -0.181 -0.902 6.176 1.00 54.34 C ATOM 732 CG1 VAL A 47 0.267 0.429 6.778 1.00 64.21 C ATOM 733 CG2 VAL A 47 0.524 -2.066 6.857 1.00 50.22 C ATOM 0 H VAL A 47 -1.813 -2.548 4.787 1.00 31.20 H new ATOM 0 HA VAL A 47 -2.032 -1.001 7.295 1.00 15.54 H new ATOM 0 HB VAL A 47 0.098 -0.890 5.122 1.00 54.34 H new ATOM 0 HG11 VAL A 47 1.351 0.515 6.705 1.00 64.21 H new ATOM 0 HG12 VAL A 47 -0.200 1.250 6.234 1.00 64.21 H new ATOM 0 HG13 VAL A 47 -0.030 0.473 7.826 1.00 64.21 H new ATOM 0 HG21 VAL A 47 1.603 -1.924 6.795 1.00 50.22 H new ATOM 0 HG22 VAL A 47 0.223 -2.111 7.904 1.00 50.22 H new ATOM 0 HG23 VAL A 47 0.251 -2.997 6.361 1.00 50.22 H new ATOM 743 N CYS A 48 -2.715 1.096 6.042 1.00 1.03 N ATOM 744 CA CYS A 48 -3.382 2.163 5.363 1.00 33.14 C ATOM 745 C CYS A 48 -2.500 3.377 5.468 1.00 63.00 C ATOM 746 O CYS A 48 -2.086 3.747 6.562 1.00 71.51 O ATOM 747 CB CYS A 48 -4.706 2.415 6.051 1.00 25.25 C ATOM 748 SG CYS A 48 -5.709 0.905 6.239 1.00 55.34 S ATOM 0 H CYS A 48 -2.504 1.283 7.022 1.00 1.03 H new ATOM 0 HA CYS A 48 -3.568 1.925 4.316 1.00 33.14 H new ATOM 0 HB2 CYS A 48 -4.522 2.847 7.035 1.00 25.25 H new ATOM 0 HB3 CYS A 48 -5.271 3.152 5.480 1.00 25.25 H new ATOM 753 N ALA A 49 -2.202 3.981 4.347 1.00 72.35 N ATOM 754 CA ALA A 49 -1.250 5.050 4.304 1.00 52.23 C ATOM 755 C ALA A 49 -1.752 6.251 3.547 1.00 4.05 C ATOM 756 O ALA A 49 -2.613 6.148 2.660 1.00 55.41 O ATOM 757 CB ALA A 49 0.072 4.562 3.760 1.00 34.51 C ATOM 0 H ALA A 49 -2.613 3.744 3.444 1.00 72.35 H new ATOM 0 HA ALA A 49 -1.099 5.385 5.330 1.00 52.23 H new ATOM 0 HB1 ALA A 49 0.782 5.388 3.735 1.00 34.51 H new ATOM 0 HB2 ALA A 49 0.459 3.770 4.401 1.00 34.51 H new ATOM 0 HB3 ALA A 49 -0.070 4.175 2.751 1.00 34.51 H new ATOM 763 N ASP A 50 -1.232 7.380 3.927 1.00 33.10 N ATOM 764 CA ASP A 50 -1.578 8.656 3.372 1.00 22.34 C ATOM 765 C ASP A 50 -0.928 8.811 2.020 1.00 61.14 C ATOM 766 O ASP A 50 0.285 8.737 1.915 1.00 54.24 O ATOM 767 CB ASP A 50 -1.011 9.759 4.263 1.00 51.22 C ATOM 768 CG ASP A 50 -1.479 9.710 5.684 1.00 0.20 C ATOM 769 OD1 ASP A 50 -1.166 8.737 6.389 1.00 43.22 O ATOM 770 OD2 ASP A 50 -2.149 10.652 6.128 1.00 24.22 O ATOM 0 H ASP A 50 -0.527 7.440 4.662 1.00 33.10 H new ATOM 0 HA ASP A 50 -2.663 8.723 3.295 1.00 22.34 H new ATOM 0 HB2 ASP A 50 0.077 9.696 4.250 1.00 51.22 H new ATOM 0 HB3 ASP A 50 -1.280 10.726 3.838 1.00 51.22 H new ATOM 775 N PRO A 51 -1.706 9.076 0.966 1.00 15.53 N ATOM 776 CA PRO A 51 -1.160 9.267 -0.390 1.00 73.45 C ATOM 777 C PRO A 51 -0.382 10.589 -0.498 1.00 43.42 C ATOM 778 O PRO A 51 0.289 10.859 -1.500 1.00 51.13 O ATOM 779 CB PRO A 51 -2.411 9.308 -1.269 1.00 31.01 C ATOM 780 CG PRO A 51 -3.486 9.788 -0.360 1.00 42.05 C ATOM 781 CD PRO A 51 -3.178 9.203 0.988 1.00 10.15 C ATOM 0 HA PRO A 51 -0.455 8.485 -0.674 1.00 73.45 H new ATOM 0 HB2 PRO A 51 -2.279 9.979 -2.117 1.00 31.01 H new ATOM 0 HB3 PRO A 51 -2.644 8.324 -1.675 1.00 31.01 H new ATOM 0 HG2 PRO A 51 -3.504 10.877 -0.318 1.00 42.05 H new ATOM 0 HG3 PRO A 51 -4.467 9.466 -0.711 1.00 42.05 H new ATOM 0 HD2 PRO A 51 -3.515 9.852 1.796 1.00 10.15 H new ATOM 0 HD3 PRO A 51 -3.664 8.238 1.130 1.00 10.15 H new ATOM 789 N GLN A 52 -0.484 11.393 0.554 1.00 51.02 N ATOM 790 CA GLN A 52 0.175 12.675 0.638 1.00 24.33 C ATOM 791 C GLN A 52 1.547 12.517 1.269 1.00 65.22 C ATOM 792 O GLN A 52 2.436 13.327 1.039 1.00 33.20 O ATOM 793 CB GLN A 52 -0.660 13.641 1.484 1.00 31.41 C ATOM 794 CG GLN A 52 -2.044 13.942 0.928 1.00 34.51 C ATOM 795 CD GLN A 52 -2.832 14.856 1.841 1.00 44.22 C ATOM 796 OE1 GLN A 52 -2.774 16.082 1.725 1.00 65.21 O ATOM 797 NE2 GLN A 52 -3.574 14.277 2.748 1.00 70.13 N ATOM 0 H GLN A 52 -1.036 11.162 1.380 1.00 51.02 H new ATOM 0 HA GLN A 52 0.284 13.075 -0.370 1.00 24.33 H new ATOM 0 HB2 GLN A 52 -0.769 13.224 2.485 1.00 31.41 H new ATOM 0 HB3 GLN A 52 -0.113 14.578 1.586 1.00 31.41 H new ATOM 0 HG2 GLN A 52 -1.948 14.405 -0.054 1.00 34.51 H new ATOM 0 HG3 GLN A 52 -2.590 13.009 0.789 1.00 34.51 H new ATOM 0 HE21 GLN A 52 -3.597 13.259 2.814 1.00 70.13 H new ATOM 0 HE22 GLN A 52 -4.130 14.843 3.389 1.00 70.13 H new ATOM 806 N ALA A 53 1.718 11.455 2.043 1.00 33.24 N ATOM 807 CA ALA A 53 2.964 11.213 2.742 1.00 35.31 C ATOM 808 C ALA A 53 4.070 10.931 1.763 1.00 44.30 C ATOM 809 O ALA A 53 3.947 10.053 0.919 1.00 4.53 O ATOM 810 CB ALA A 53 2.808 10.072 3.728 1.00 61.25 C ATOM 0 H ALA A 53 1.003 10.745 2.201 1.00 33.24 H new ATOM 0 HA ALA A 53 3.228 12.110 3.302 1.00 35.31 H new ATOM 0 HB1 ALA A 53 3.754 9.905 4.243 1.00 61.25 H new ATOM 0 HB2 ALA A 53 2.037 10.323 4.456 1.00 61.25 H new ATOM 0 HB3 ALA A 53 2.521 9.166 3.194 1.00 61.25 H new ATOM 816 N THR A 54 5.140 11.676 1.881 1.00 42.33 N ATOM 817 CA THR A 54 6.271 11.582 1.000 1.00 62.43 C ATOM 818 C THR A 54 6.888 10.171 1.000 1.00 32.53 C ATOM 819 O THR A 54 7.322 9.685 -0.050 1.00 2.23 O ATOM 820 CB THR A 54 7.328 12.647 1.376 1.00 33.25 C ATOM 821 OG1 THR A 54 6.714 13.952 1.313 1.00 34.13 O ATOM 822 CG2 THR A 54 8.518 12.609 0.427 1.00 11.30 C ATOM 0 H THR A 54 5.249 12.381 2.610 1.00 42.33 H new ATOM 0 HA THR A 54 5.920 11.774 -0.014 1.00 62.43 H new ATOM 0 HB THR A 54 7.690 12.436 2.382 1.00 33.25 H new ATOM 0 HG1 THR A 54 7.374 14.636 1.551 1.00 34.13 H new ATOM 0 HG21 THR A 54 9.241 13.370 0.720 1.00 11.30 H new ATOM 0 HG22 THR A 54 8.987 11.626 0.471 1.00 11.30 H new ATOM 0 HG23 THR A 54 8.178 12.804 -0.590 1.00 11.30 H new ATOM 830 N TRP A 55 6.876 9.490 2.157 1.00 3.01 N ATOM 831 CA TRP A 55 7.458 8.137 2.210 1.00 50.34 C ATOM 832 C TRP A 55 6.594 7.180 1.391 1.00 21.12 C ATOM 833 O TRP A 55 7.084 6.241 0.755 1.00 54.12 O ATOM 834 CB TRP A 55 7.649 7.619 3.661 1.00 31.24 C ATOM 835 CG TRP A 55 6.394 7.330 4.422 1.00 45.52 C ATOM 836 CD1 TRP A 55 5.662 8.200 5.126 1.00 33.31 C ATOM 837 CD2 TRP A 55 5.752 6.065 4.563 1.00 20.10 C ATOM 838 NE1 TRP A 55 4.591 7.581 5.693 1.00 11.12 N ATOM 839 CE2 TRP A 55 4.619 6.270 5.362 1.00 72.14 C ATOM 840 CE3 TRP A 55 6.018 4.794 4.081 1.00 15.41 C ATOM 841 CZ2 TRP A 55 3.757 5.255 5.697 1.00 43.41 C ATOM 842 CZ3 TRP A 55 5.156 3.768 4.411 1.00 30.31 C ATOM 843 CH2 TRP A 55 4.032 4.007 5.214 1.00 13.15 C ATOM 0 H TRP A 55 6.487 9.834 3.035 1.00 3.01 H new ATOM 0 HA TRP A 55 8.457 8.187 1.778 1.00 50.34 H new ATOM 0 HB2 TRP A 55 8.247 6.708 3.625 1.00 31.24 H new ATOM 0 HB3 TRP A 55 8.226 8.358 4.217 1.00 31.24 H new ATOM 0 HD1 TRP A 55 5.890 9.251 5.230 1.00 33.31 H new ATOM 0 HE1 TRP A 55 3.883 8.032 6.273 1.00 11.12 H new ATOM 0 HE3 TRP A 55 6.882 4.610 3.460 1.00 15.41 H new ATOM 0 HZ2 TRP A 55 2.893 5.437 6.319 1.00 43.41 H new ATOM 0 HZ3 TRP A 55 5.349 2.770 4.047 1.00 30.31 H new ATOM 0 HH2 TRP A 55 3.370 3.188 5.456 1.00 13.15 H new ATOM 854 N VAL A 56 5.311 7.463 1.396 1.00 2.33 N ATOM 855 CA VAL A 56 4.342 6.719 0.647 1.00 53.24 C ATOM 856 C VAL A 56 4.473 7.036 -0.811 1.00 3.34 C ATOM 857 O VAL A 56 4.561 6.135 -1.632 1.00 61.52 O ATOM 858 CB VAL A 56 2.916 7.050 1.114 1.00 12.53 C ATOM 859 CG1 VAL A 56 1.892 6.432 0.198 1.00 23.35 C ATOM 860 CG2 VAL A 56 2.701 6.568 2.521 1.00 71.34 C ATOM 0 H VAL A 56 4.911 8.233 1.933 1.00 2.33 H new ATOM 0 HA VAL A 56 4.526 5.657 0.812 1.00 53.24 H new ATOM 0 HB VAL A 56 2.796 8.133 1.086 1.00 12.53 H new ATOM 0 HG11 VAL A 56 0.891 6.681 0.550 1.00 23.35 H new ATOM 0 HG12 VAL A 56 2.028 6.818 -0.812 1.00 23.35 H new ATOM 0 HG13 VAL A 56 2.015 5.349 0.192 1.00 23.35 H new ATOM 0 HG21 VAL A 56 1.686 6.810 2.837 1.00 71.34 H new ATOM 0 HG22 VAL A 56 2.846 5.489 2.562 1.00 71.34 H new ATOM 0 HG23 VAL A 56 3.414 7.056 3.186 1.00 71.34 H new ATOM 870 N ARG A 57 4.515 8.327 -1.120 1.00 30.53 N ATOM 871 CA ARG A 57 4.635 8.818 -2.495 1.00 15.32 C ATOM 872 C ARG A 57 5.831 8.207 -3.182 1.00 3.43 C ATOM 873 O ARG A 57 5.812 7.966 -4.375 1.00 21.22 O ATOM 874 CB ARG A 57 4.743 10.341 -2.523 1.00 2.14 C ATOM 875 CG ARG A 57 3.512 11.046 -2.018 1.00 61.02 C ATOM 876 CD ARG A 57 3.664 12.562 -2.072 1.00 42.24 C ATOM 877 NE ARG A 57 3.901 13.063 -3.434 1.00 25.22 N ATOM 878 CZ ARG A 57 4.147 14.353 -3.738 1.00 25.40 C ATOM 879 NH1 ARG A 57 4.155 15.279 -2.782 1.00 73.52 N ATOM 880 NH2 ARG A 57 4.377 14.710 -4.998 1.00 75.44 N ATOM 0 H ARG A 57 4.467 9.070 -0.422 1.00 30.53 H new ATOM 0 HA ARG A 57 3.734 8.521 -3.031 1.00 15.32 H new ATOM 0 HB2 ARG A 57 5.598 10.647 -1.921 1.00 2.14 H new ATOM 0 HB3 ARG A 57 4.942 10.663 -3.545 1.00 2.14 H new ATOM 0 HG2 ARG A 57 2.651 10.746 -2.615 1.00 61.02 H new ATOM 0 HG3 ARG A 57 3.312 10.737 -0.992 1.00 61.02 H new ATOM 0 HD2 ARG A 57 2.764 13.027 -1.670 1.00 42.24 H new ATOM 0 HD3 ARG A 57 4.492 12.863 -1.430 1.00 42.24 H new ATOM 0 HE ARG A 57 3.878 12.390 -4.200 1.00 25.22 H new ATOM 0 HH11 ARG A 57 3.974 15.014 -1.814 1.00 73.52 H new ATOM 0 HH12 ARG A 57 4.342 16.254 -3.018 1.00 73.52 H new ATOM 0 HH21 ARG A 57 4.368 14.007 -5.737 1.00 75.44 H new ATOM 0 HH22 ARG A 57 4.563 15.687 -5.225 1.00 75.44 H new ATOM 894 N ASP A 58 6.854 7.960 -2.412 1.00 33.40 N ATOM 895 CA ASP A 58 8.063 7.335 -2.904 1.00 14.12 C ATOM 896 C ASP A 58 7.870 5.829 -3.170 1.00 12.31 C ATOM 897 O ASP A 58 8.271 5.323 -4.214 1.00 3.42 O ATOM 898 CB ASP A 58 9.220 7.569 -1.934 1.00 14.23 C ATOM 899 CG ASP A 58 10.494 6.898 -2.375 1.00 53.01 C ATOM 900 OD1 ASP A 58 11.133 7.380 -3.337 1.00 34.21 O ATOM 901 OD2 ASP A 58 10.886 5.890 -1.756 1.00 53.32 O ATOM 0 H ASP A 58 6.878 8.186 -1.418 1.00 33.40 H new ATOM 0 HA ASP A 58 8.305 7.802 -3.859 1.00 14.12 H new ATOM 0 HB2 ASP A 58 9.394 8.640 -1.835 1.00 14.23 H new ATOM 0 HB3 ASP A 58 8.942 7.198 -0.947 1.00 14.23 H new ATOM 906 N CYS A 59 7.228 5.123 -2.257 1.00 75.00 N ATOM 907 CA CYS A 59 7.059 3.676 -2.422 1.00 43.24 C ATOM 908 C CYS A 59 5.918 3.295 -3.329 1.00 41.34 C ATOM 909 O CYS A 59 6.014 2.316 -4.070 1.00 4.22 O ATOM 910 CB CYS A 59 6.923 2.978 -1.118 1.00 53.14 C ATOM 911 SG CYS A 59 8.397 3.099 -0.082 1.00 21.42 S ATOM 0 H CYS A 59 6.819 5.511 -1.407 1.00 75.00 H new ATOM 0 HA CYS A 59 7.977 3.346 -2.908 1.00 43.24 H new ATOM 0 HB2 CYS A 59 6.073 3.395 -0.578 1.00 53.14 H new ATOM 0 HB3 CYS A 59 6.700 1.926 -1.299 1.00 53.14 H new ATOM 916 N VAL A 60 4.845 4.061 -3.298 1.00 11.40 N ATOM 917 CA VAL A 60 3.699 3.806 -4.159 1.00 72.30 C ATOM 918 C VAL A 60 4.174 4.006 -5.616 1.00 52.11 C ATOM 919 O VAL A 60 3.681 3.398 -6.553 1.00 2.31 O ATOM 920 CB VAL A 60 2.488 4.758 -3.803 1.00 43.02 C ATOM 921 CG1 VAL A 60 2.713 6.168 -4.259 1.00 2.24 C ATOM 922 CG2 VAL A 60 1.172 4.243 -4.319 1.00 74.51 C ATOM 0 H VAL A 60 4.740 4.869 -2.684 1.00 11.40 H new ATOM 0 HA VAL A 60 3.331 2.790 -4.018 1.00 72.30 H new ATOM 0 HB VAL A 60 2.436 4.763 -2.714 1.00 43.02 H new ATOM 0 HG11 VAL A 60 1.852 6.779 -3.990 1.00 2.24 H new ATOM 0 HG12 VAL A 60 3.606 6.568 -3.779 1.00 2.24 H new ATOM 0 HG13 VAL A 60 2.845 6.184 -5.341 1.00 2.24 H new ATOM 0 HG21 VAL A 60 0.377 4.937 -4.045 1.00 74.51 H new ATOM 0 HG22 VAL A 60 1.217 4.153 -5.404 1.00 74.51 H new ATOM 0 HG23 VAL A 60 0.967 3.266 -3.882 1.00 74.51 H new ATOM 932 N ARG A 61 5.197 4.834 -5.748 1.00 53.44 N ATOM 933 CA ARG A 61 5.805 5.150 -6.995 1.00 11.23 C ATOM 934 C ARG A 61 6.772 4.031 -7.364 1.00 54.43 C ATOM 935 O ARG A 61 6.805 3.574 -8.498 1.00 54.52 O ATOM 936 CB ARG A 61 6.580 6.437 -6.814 1.00 45.23 C ATOM 937 CG ARG A 61 7.333 6.941 -8.011 1.00 33.24 C ATOM 938 CD ARG A 61 6.430 7.521 -9.105 1.00 31.42 C ATOM 939 NE ARG A 61 5.563 6.541 -9.765 1.00 65.30 N ATOM 940 CZ ARG A 61 4.339 6.826 -10.254 1.00 3.24 C ATOM 941 NH1 ARG A 61 3.785 8.026 -10.039 1.00 44.53 N ATOM 942 NH2 ARG A 61 3.682 5.921 -10.945 1.00 60.22 N ATOM 0 H ARG A 61 5.628 5.311 -4.956 1.00 53.44 H new ATOM 0 HA ARG A 61 5.056 5.260 -7.780 1.00 11.23 H new ATOM 0 HB2 ARG A 61 5.883 7.213 -6.498 1.00 45.23 H new ATOM 0 HB3 ARG A 61 7.290 6.296 -5.999 1.00 45.23 H new ATOM 0 HG2 ARG A 61 8.038 7.707 -7.690 1.00 33.24 H new ATOM 0 HG3 ARG A 61 7.920 6.124 -8.431 1.00 33.24 H new ATOM 0 HD2 ARG A 61 5.807 8.301 -8.667 1.00 31.42 H new ATOM 0 HD3 ARG A 61 7.056 7.998 -9.859 1.00 31.42 H new ATOM 0 HE ARG A 61 5.906 5.585 -9.860 1.00 65.30 H new ATOM 0 HH11 ARG A 61 4.289 8.732 -9.502 1.00 44.53 H new ATOM 0 HH12 ARG A 61 2.859 8.234 -10.412 1.00 44.53 H new ATOM 0 HH21 ARG A 61 4.098 5.005 -11.111 1.00 60.22 H new ATOM 0 HH22 ARG A 61 2.756 6.135 -11.315 1.00 60.22 H new ATOM 956 N SER A 62 7.553 3.605 -6.374 1.00 3.01 N ATOM 957 CA SER A 62 8.539 2.556 -6.535 1.00 22.23 C ATOM 958 C SER A 62 7.900 1.243 -6.986 1.00 33.04 C ATOM 959 O SER A 62 8.391 0.603 -7.897 1.00 3.34 O ATOM 960 CB SER A 62 9.332 2.355 -5.228 1.00 34.03 C ATOM 961 OG SER A 62 10.333 1.364 -5.377 1.00 5.55 O ATOM 0 H SER A 62 7.513 3.987 -5.429 1.00 3.01 H new ATOM 0 HA SER A 62 9.229 2.869 -7.319 1.00 22.23 H new ATOM 0 HB2 SER A 62 9.792 3.297 -4.932 1.00 34.03 H new ATOM 0 HB3 SER A 62 8.650 2.068 -4.428 1.00 34.03 H new ATOM 0 HG SER A 62 10.819 1.261 -4.532 1.00 5.55 H new ATOM 967 N MET A 63 6.786 0.864 -6.374 1.00 64.13 N ATOM 968 CA MET A 63 6.118 -0.397 -6.725 1.00 64.13 C ATOM 969 C MET A 63 5.618 -0.363 -8.156 1.00 34.44 C ATOM 970 O MET A 63 5.658 -1.376 -8.877 1.00 61.11 O ATOM 971 CB MET A 63 4.975 -0.707 -5.762 1.00 42.14 C ATOM 972 CG MET A 63 5.415 -0.829 -4.319 1.00 15.42 C ATOM 973 SD MET A 63 6.681 -2.093 -4.064 1.00 15.25 S ATOM 974 CE MET A 63 5.804 -3.578 -4.545 1.00 11.20 C ATOM 0 H MET A 63 6.324 1.400 -5.639 1.00 64.13 H new ATOM 0 HA MET A 63 6.854 -1.196 -6.638 1.00 64.13 H new ATOM 0 HB2 MET A 63 4.223 0.078 -5.839 1.00 42.14 H new ATOM 0 HB3 MET A 63 4.496 -1.637 -6.067 1.00 42.14 H new ATOM 0 HG2 MET A 63 5.799 0.133 -3.980 1.00 15.42 H new ATOM 0 HG3 MET A 63 4.548 -1.062 -3.700 1.00 15.42 H new ATOM 0 HE1 MET A 63 6.020 -4.375 -3.833 1.00 11.20 H new ATOM 0 HE2 MET A 63 4.732 -3.380 -4.555 1.00 11.20 H new ATOM 0 HE3 MET A 63 6.126 -3.884 -5.540 1.00 11.20 H new ATOM 984 N ASP A 64 5.169 0.801 -8.566 1.00 33.23 N ATOM 985 CA ASP A 64 4.723 1.034 -9.928 1.00 23.12 C ATOM 986 C ASP A 64 5.920 1.036 -10.879 1.00 11.31 C ATOM 987 O ASP A 64 5.840 0.543 -12.003 1.00 50.13 O ATOM 988 CB ASP A 64 3.971 2.359 -9.997 1.00 45.51 C ATOM 989 CG ASP A 64 3.595 2.764 -11.398 1.00 13.12 C ATOM 990 OD1 ASP A 64 2.554 2.333 -11.900 1.00 70.32 O ATOM 991 OD2 ASP A 64 4.339 3.560 -11.999 1.00 60.24 O ATOM 0 H ASP A 64 5.101 1.621 -7.963 1.00 33.23 H new ATOM 0 HA ASP A 64 4.049 0.233 -10.233 1.00 23.12 H new ATOM 0 HB2 ASP A 64 3.066 2.286 -9.393 1.00 45.51 H new ATOM 0 HB3 ASP A 64 4.588 3.141 -9.554 1.00 45.51 H new ATOM 996 N ARG A 65 7.036 1.571 -10.398 1.00 34.35 N ATOM 997 CA ARG A 65 8.306 1.609 -11.139 1.00 73.11 C ATOM 998 C ARG A 65 8.802 0.177 -11.361 1.00 64.54 C ATOM 999 O ARG A 65 9.351 -0.156 -12.414 1.00 13.04 O ATOM 1000 CB ARG A 65 9.346 2.374 -10.315 1.00 34.21 C ATOM 1001 CG ARG A 65 10.679 2.606 -11.006 1.00 74.01 C ATOM 1002 CD ARG A 65 11.697 3.163 -10.025 1.00 54.25 C ATOM 1003 NE ARG A 65 11.233 4.395 -9.362 1.00 65.33 N ATOM 1004 CZ ARG A 65 11.469 4.696 -8.063 1.00 2.14 C ATOM 1005 NH1 ARG A 65 12.120 3.838 -7.279 1.00 13.30 N ATOM 1006 NH2 ARG A 65 11.047 5.846 -7.557 1.00 71.24 N ATOM 0 H ARG A 65 7.093 1.997 -9.473 1.00 34.35 H new ATOM 0 HA ARG A 65 8.157 2.103 -12.099 1.00 73.11 H new ATOM 0 HB2 ARG A 65 8.926 3.341 -10.038 1.00 34.21 H new ATOM 0 HB3 ARG A 65 9.526 1.827 -9.389 1.00 34.21 H new ATOM 0 HG2 ARG A 65 11.045 1.669 -11.427 1.00 74.01 H new ATOM 0 HG3 ARG A 65 10.549 3.299 -11.837 1.00 74.01 H new ATOM 0 HD2 ARG A 65 11.917 2.409 -9.269 1.00 54.25 H new ATOM 0 HD3 ARG A 65 12.629 3.368 -10.552 1.00 54.25 H new ATOM 0 HE ARG A 65 10.700 5.064 -9.917 1.00 65.33 H new ATOM 0 HH11 ARG A 65 12.444 2.948 -7.656 1.00 13.30 H new ATOM 0 HH12 ARG A 65 12.294 4.072 -6.301 1.00 13.30 H new ATOM 0 HH21 ARG A 65 10.542 6.508 -8.147 1.00 71.24 H new ATOM 0 HH22 ARG A 65 11.227 6.069 -6.578 1.00 71.24 H new ATOM 1020 N LYS A 66 8.610 -0.660 -10.344 1.00 2.43 N ATOM 1021 CA LYS A 66 8.962 -2.080 -10.395 1.00 22.12 C ATOM 1022 C LYS A 66 8.038 -2.805 -11.346 1.00 11.21 C ATOM 1023 O LYS A 66 8.350 -3.893 -11.810 1.00 71.34 O ATOM 1024 CB LYS A 66 8.805 -2.726 -9.008 1.00 70.14 C ATOM 1025 CG LYS A 66 9.686 -2.161 -7.914 1.00 32.43 C ATOM 1026 CD LYS A 66 9.327 -2.782 -6.573 1.00 55.04 C ATOM 1027 CE LYS A 66 10.163 -2.217 -5.434 1.00 64.23 C ATOM 1028 NZ LYS A 66 11.590 -2.562 -5.566 1.00 33.40 N ATOM 0 H LYS A 66 8.203 -0.371 -9.454 1.00 2.43 H new ATOM 0 HA LYS A 66 9.997 -2.156 -10.728 1.00 22.12 H new ATOM 0 HB2 LYS A 66 7.765 -2.627 -8.698 1.00 70.14 H new ATOM 0 HB3 LYS A 66 9.011 -3.793 -9.099 1.00 70.14 H new ATOM 0 HG2 LYS A 66 10.733 -2.356 -8.144 1.00 32.43 H new ATOM 0 HG3 LYS A 66 9.567 -1.079 -7.865 1.00 32.43 H new ATOM 0 HD2 LYS A 66 8.271 -2.609 -6.366 1.00 55.04 H new ATOM 0 HD3 LYS A 66 9.469 -3.861 -6.625 1.00 55.04 H new ATOM 0 HE2 LYS A 66 10.054 -1.133 -5.409 1.00 64.23 H new ATOM 0 HE3 LYS A 66 9.785 -2.597 -4.485 1.00 64.23 H new ATOM 0 HZ1 LYS A 66 12.104 -2.245 -4.719 1.00 33.40 H new ATOM 0 HZ2 LYS A 66 11.690 -3.592 -5.666 1.00 33.40 H new ATOM 0 HZ3 LYS A 66 11.984 -2.093 -6.406 1.00 33.40 H new ATOM 1042 N SER A 67 6.876 -2.186 -11.604 1.00 61.41 N ATOM 1043 CA SER A 67 5.825 -2.749 -12.438 1.00 21.40 C ATOM 1044 C SER A 67 5.285 -4.013 -11.744 1.00 45.10 C ATOM 1045 O SER A 67 4.697 -4.895 -12.359 1.00 43.02 O ATOM 1046 CB SER A 67 6.371 -3.043 -13.863 1.00 14.13 C ATOM 1047 OG SER A 67 5.332 -3.390 -14.778 1.00 70.32 O ATOM 0 H SER A 67 6.645 -1.266 -11.229 1.00 61.41 H new ATOM 0 HA SER A 67 5.005 -2.042 -12.559 1.00 21.40 H new ATOM 0 HB2 SER A 67 6.902 -2.167 -14.235 1.00 14.13 H new ATOM 0 HB3 SER A 67 7.095 -3.857 -13.812 1.00 14.13 H new ATOM 0 HG SER A 67 4.715 -4.020 -14.349 1.00 70.32 H new ATOM 1053 N ASN A 68 5.429 -4.026 -10.423 1.00 62.33 N ATOM 1054 CA ASN A 68 5.024 -5.149 -9.582 1.00 63.34 C ATOM 1055 C ASN A 68 3.554 -4.958 -9.177 1.00 41.14 C ATOM 1056 O ASN A 68 2.991 -5.694 -8.369 1.00 11.45 O ATOM 1057 CB ASN A 68 5.954 -5.206 -8.352 1.00 63.22 C ATOM 1058 CG ASN A 68 5.773 -6.434 -7.460 1.00 72.25 C ATOM 1059 OD1 ASN A 68 5.996 -6.366 -6.253 1.00 40.44 O ATOM 1060 ND2 ASN A 68 5.408 -7.549 -8.033 1.00 35.43 N ATOM 0 H ASN A 68 5.834 -3.250 -9.900 1.00 62.33 H new ATOM 0 HA ASN A 68 5.109 -6.095 -10.117 1.00 63.34 H new ATOM 0 HB2 ASN A 68 6.988 -5.175 -8.696 1.00 63.22 H new ATOM 0 HB3 ASN A 68 5.791 -4.312 -7.751 1.00 63.22 H new ATOM 0 HD21 ASN A 68 5.300 -8.397 -7.476 1.00 35.43 H new ATOM 0 HD22 ASN A 68 5.230 -7.572 -9.037 1.00 35.43 H new ATOM 1067 N THR A 69 2.965 -3.948 -9.759 1.00 63.54 N ATOM 1068 CA THR A 69 1.597 -3.622 -9.593 1.00 2.13 C ATOM 1069 C THR A 69 1.216 -2.702 -10.743 1.00 61.51 C ATOM 1070 O THR A 69 2.112 -2.157 -11.428 1.00 55.34 O ATOM 1071 CB THR A 69 1.329 -2.940 -8.222 1.00 25.42 C ATOM 1072 OG1 THR A 69 -0.078 -2.661 -8.051 1.00 73.54 O ATOM 1073 CG2 THR A 69 2.115 -1.673 -8.108 1.00 20.35 C ATOM 0 H THR A 69 3.457 -3.311 -10.386 1.00 63.54 H new ATOM 0 HA THR A 69 0.992 -4.528 -9.603 1.00 2.13 H new ATOM 0 HB THR A 69 1.644 -3.627 -7.437 1.00 25.42 H new ATOM 0 HG1 THR A 69 -0.223 -2.234 -7.181 1.00 73.54 H new ATOM 0 HG21 THR A 69 1.917 -1.207 -7.143 1.00 20.35 H new ATOM 0 HG22 THR A 69 3.179 -1.896 -8.192 1.00 20.35 H new ATOM 0 HG23 THR A 69 1.823 -0.991 -8.907 1.00 20.35 H new ATOM 1081 N ARG A 70 -0.050 -2.544 -10.987 1.00 64.55 N ATOM 1082 CA ARG A 70 -0.496 -1.689 -12.035 1.00 3.01 C ATOM 1083 C ARG A 70 -1.288 -0.494 -11.518 1.00 53.05 C ATOM 1084 O ARG A 70 -2.218 -0.632 -10.712 1.00 54.24 O ATOM 1085 CB ARG A 70 -1.184 -2.479 -13.202 1.00 4.10 C ATOM 1086 CG ARG A 70 -2.313 -3.469 -12.823 1.00 61.22 C ATOM 1087 CD ARG A 70 -3.552 -2.790 -12.270 1.00 22.25 C ATOM 1088 NE ARG A 70 -4.184 -1.894 -13.250 1.00 0.24 N ATOM 1089 CZ ARG A 70 -4.953 -0.844 -12.936 1.00 73.34 C ATOM 1090 NH1 ARG A 70 -5.109 -0.499 -11.666 1.00 32.12 N ATOM 1091 NH2 ARG A 70 -5.552 -0.130 -13.896 1.00 21.51 N ATOM 0 H ARG A 70 -0.797 -3.004 -10.466 1.00 64.55 H new ATOM 0 HA ARG A 70 0.391 -1.249 -12.490 1.00 3.01 H new ATOM 0 HB2 ARG A 70 -1.594 -1.753 -13.904 1.00 4.10 H new ATOM 0 HB3 ARG A 70 -0.412 -3.036 -13.733 1.00 4.10 H new ATOM 0 HG2 ARG A 70 -2.588 -4.048 -13.704 1.00 61.22 H new ATOM 0 HG3 ARG A 70 -1.934 -4.174 -12.083 1.00 61.22 H new ATOM 0 HD2 ARG A 70 -4.270 -3.548 -11.959 1.00 22.25 H new ATOM 0 HD3 ARG A 70 -3.284 -2.220 -11.380 1.00 22.25 H new ATOM 0 HE ARG A 70 -4.025 -2.086 -14.239 1.00 0.24 H new ATOM 0 HH11 ARG A 70 -4.644 -1.033 -10.932 1.00 32.12 H new ATOM 0 HH12 ARG A 70 -5.694 0.300 -11.423 1.00 32.12 H new ATOM 0 HH21 ARG A 70 -5.424 -0.384 -14.876 1.00 21.51 H new ATOM 0 HH22 ARG A 70 -6.136 0.669 -13.648 1.00 21.51 H new ATOM 1105 N ASN A 71 -0.855 0.667 -11.914 1.00 62.54 N ATOM 1106 CA ASN A 71 -1.530 1.915 -11.603 1.00 24.34 C ATOM 1107 C ASN A 71 -2.056 2.483 -12.899 1.00 13.50 C ATOM 1108 O ASN A 71 -3.139 3.094 -12.944 1.00 25.25 O ATOM 1109 CB ASN A 71 -0.563 2.921 -10.956 1.00 64.32 C ATOM 1110 CG ASN A 71 -1.224 4.257 -10.619 1.00 14.31 C ATOM 1111 OD1 ASN A 71 -1.280 5.162 -11.447 1.00 32.23 O ATOM 1112 ND2 ASN A 71 -1.698 4.399 -9.405 1.00 23.32 N ATOM 0 H ASN A 71 -0.010 0.786 -12.472 1.00 62.54 H new ATOM 0 HA ASN A 71 -2.338 1.729 -10.896 1.00 24.34 H new ATOM 0 HB2 ASN A 71 -0.152 2.486 -10.045 1.00 64.32 H new ATOM 0 HB3 ASN A 71 0.274 3.097 -11.631 1.00 64.32 H new ATOM 0 HD21 ASN A 71 -2.128 5.280 -9.125 1.00 23.32 H new ATOM 0 HD22 ASN A 71 -1.636 3.628 -8.740 1.00 23.32 H new ATOM 1119 N ASN A 72 -1.254 2.281 -13.964 1.00 51.41 N ATOM 1120 CA ASN A 72 -1.579 2.672 -15.349 1.00 12.53 C ATOM 1121 C ASN A 72 -1.620 4.165 -15.536 1.00 33.10 C ATOM 1122 O ASN A 72 -1.998 4.649 -16.611 1.00 70.45 O ATOM 1123 CB ASN A 72 -2.906 2.049 -15.815 1.00 60.32 C ATOM 1124 CG ASN A 72 -2.855 0.540 -15.946 1.00 11.42 C ATOM 1125 OD1 ASN A 72 -2.097 -0.145 -15.266 1.00 24.33 O ATOM 1126 ND2 ASN A 72 -3.667 0.013 -16.802 1.00 13.02 N ATOM 0 H ASN A 72 -0.342 1.831 -13.882 1.00 51.41 H new ATOM 0 HA ASN A 72 -0.770 2.283 -15.967 1.00 12.53 H new ATOM 0 HB2 ASN A 72 -3.692 2.318 -15.109 1.00 60.32 H new ATOM 0 HB3 ASN A 72 -3.182 2.480 -16.778 1.00 60.32 H new ATOM 0 HD21 ASN A 72 -3.690 -0.999 -16.927 1.00 13.02 H new ATOM 0 HD22 ASN A 72 -4.285 0.609 -17.353 1.00 13.02 H new ATOM 1133 N MET A 73 -1.229 4.899 -14.486 1.00 54.42 N ATOM 1134 CA MET A 73 -1.248 6.367 -14.452 1.00 63.32 C ATOM 1135 C MET A 73 -2.698 6.870 -14.604 1.00 50.13 C ATOM 1136 O MET A 73 -2.945 8.054 -14.792 1.00 11.34 O ATOM 1137 CB MET A 73 -0.316 6.952 -15.552 1.00 62.03 C ATOM 1138 CG MET A 73 -0.138 8.466 -15.509 1.00 31.21 C ATOM 1139 SD MET A 73 0.891 9.085 -16.850 1.00 43.33 S ATOM 1140 CE MET A 73 0.898 10.836 -16.470 1.00 51.53 C ATOM 0 H MET A 73 -0.885 4.482 -13.621 1.00 54.42 H new ATOM 0 HA MET A 73 -0.867 6.712 -13.491 1.00 63.32 H new ATOM 0 HB2 MET A 73 0.664 6.484 -15.463 1.00 62.03 H new ATOM 0 HB3 MET A 73 -0.714 6.676 -16.528 1.00 62.03 H new ATOM 0 HG2 MET A 73 -1.116 8.944 -15.557 1.00 31.21 H new ATOM 0 HG3 MET A 73 0.308 8.748 -14.555 1.00 31.21 H new ATOM 0 HE1 MET A 73 1.496 11.367 -17.211 1.00 51.53 H new ATOM 0 HE2 MET A 73 -0.123 11.216 -16.488 1.00 51.53 H new ATOM 0 HE3 MET A 73 1.326 10.992 -15.480 1.00 51.53 H new ATOM 1150 N ILE A 74 -3.640 5.938 -14.434 1.00 75.31 N ATOM 1151 CA ILE A 74 -5.055 6.165 -14.635 1.00 72.14 C ATOM 1152 C ILE A 74 -5.332 6.576 -16.089 1.00 34.22 C ATOM 1153 O ILE A 74 -5.289 7.766 -16.458 1.00 63.34 O ATOM 1154 CB ILE A 74 -5.673 7.165 -13.607 1.00 44.41 C ATOM 1155 CG1 ILE A 74 -5.486 6.612 -12.181 1.00 10.33 C ATOM 1156 CG2 ILE A 74 -7.159 7.398 -13.896 1.00 55.14 C ATOM 1157 CD1 ILE A 74 -6.042 7.498 -11.089 1.00 0.30 C ATOM 0 H ILE A 74 -3.424 4.984 -14.145 1.00 75.31 H new ATOM 0 HA ILE A 74 -5.561 5.218 -14.447 1.00 72.14 H new ATOM 0 HB ILE A 74 -5.161 8.123 -13.696 1.00 44.41 H new ATOM 0 HG12 ILE A 74 -5.965 5.635 -12.118 1.00 10.33 H new ATOM 0 HG13 ILE A 74 -4.422 6.458 -12.001 1.00 10.33 H new ATOM 0 HG21 ILE A 74 -7.566 8.098 -13.166 1.00 55.14 H new ATOM 0 HG22 ILE A 74 -7.274 7.811 -14.898 1.00 55.14 H new ATOM 0 HG23 ILE A 74 -7.695 6.451 -13.829 1.00 55.14 H new ATOM 0 HD11 ILE A 74 -5.867 7.033 -10.119 1.00 0.30 H new ATOM 0 HD12 ILE A 74 -5.547 8.469 -11.121 1.00 0.30 H new ATOM 0 HD13 ILE A 74 -7.113 7.632 -11.239 1.00 0.30 H new ATOM 1169 N GLN A 75 -5.544 5.582 -16.918 1.00 52.13 N ATOM 1170 CA GLN A 75 -5.775 5.802 -18.317 1.00 30.41 C ATOM 1171 C GLN A 75 -7.238 6.111 -18.627 1.00 74.42 C ATOM 1172 O GLN A 75 -8.085 5.205 -18.616 1.00 37.16 O ATOM 1173 CB GLN A 75 -5.078 4.721 -19.222 1.00 52.13 C ATOM 1174 CG GLN A 75 -5.375 3.239 -18.923 1.00 14.01 C ATOM 1175 CD GLN A 75 -6.721 2.755 -19.418 1.00 51.24 C ATOM 1176 OE1 GLN A 75 -7.234 3.228 -20.432 1.00 34.34 O ATOM 1177 NE2 GLN A 75 -7.306 1.819 -18.717 1.00 34.25 N ATOM 0 H GLN A 75 -5.560 4.601 -16.638 1.00 52.13 H new ATOM 0 HA GLN A 75 -5.265 6.723 -18.600 1.00 30.41 H new ATOM 0 HB2 GLN A 75 -5.359 4.918 -20.257 1.00 52.13 H new ATOM 0 HB3 GLN A 75 -4.000 4.868 -19.151 1.00 52.13 H new ATOM 0 HG2 GLN A 75 -4.595 2.627 -19.375 1.00 14.01 H new ATOM 0 HG3 GLN A 75 -5.320 3.081 -17.846 1.00 14.01 H new ATOM 0 HE21 GLN A 75 -6.853 1.449 -17.881 1.00 34.25 H new ATOM 0 HE22 GLN A 75 -8.216 1.459 -19.006 1.00 34.25 H new TER 1186 GLN A 75