USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 54 TYR OH : rot 180:sc= -0.121 USER MOD Set 1.2: A 58 THR OG1 : rot -75:sc= 1.13 USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= -0.0246 (180deg=-0.24) USER MOD Single : A 4 GLN : amide:sc= -0.189 X(o=-0.19,f=0.027) USER MOD Single : A 6 TYR OH : rot -156:sc= 1.23 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.494 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 61:sc= 0.0301 USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -174:sc= -0.0427 (180deg=-0.102) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 22:sc= 0.561 USER MOD Single : A 33 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.04) USER MOD Single : A 37 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.5!) USER MOD Single : A 38 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.947 (180deg=-2.24!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0052) USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= 1.11 (180deg=-0.125) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.1!) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.937) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.526 K(o=-0.53,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.043) USER MOD Single : A 76 GLN : amide:sc= -0.0969 X(o=-0.097,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 5.204 5.857 8.635 1.00 11.34 N ATOM 2 CA ALA A 2 4.517 6.402 7.455 1.00 10.27 C ATOM 3 C ALA A 2 5.421 7.485 6.877 1.00 8.76 C ATOM 4 O ALA A 2 6.204 8.067 7.626 1.00 8.94 O ATOM 5 CB ALA A 2 3.126 6.951 7.783 1.00 10.28 C ATOM 0 HA ALA A 2 4.344 5.607 6.729 1.00 10.27 H new ATOM 0 HB1 ALA A 2 2.665 7.340 6.875 1.00 10.28 H new ATOM 0 HB2 ALA A 2 2.506 6.152 8.191 1.00 10.28 H new ATOM 0 HB3 ALA A 2 3.215 7.752 8.517 1.00 10.28 H new ATOM 13 N LYS A 3 5.361 7.729 5.571 1.00 7.75 N ATOM 14 CA LYS A 3 6.167 8.725 4.877 1.00 6.64 C ATOM 15 C LYS A 3 5.298 9.312 3.768 1.00 5.01 C ATOM 16 O LYS A 3 4.256 8.736 3.439 1.00 4.74 O ATOM 17 CB LYS A 3 7.409 8.093 4.232 1.00 7.29 C ATOM 18 CG LYS A 3 8.438 7.485 5.196 1.00 8.54 C ATOM 19 CD LYS A 3 9.380 6.520 4.451 1.00 9.85 C ATOM 20 CE LYS A 3 10.651 7.152 3.876 1.00 10.80 C ATOM 21 NZ LYS A 3 10.412 8.256 2.930 1.00 10.67 N ATOM 0 H LYS A 3 4.731 7.223 4.949 1.00 7.75 H new ATOM 0 HA LYS A 3 6.500 9.480 5.589 1.00 6.64 H new ATOM 0 HB2 LYS A 3 7.079 7.313 3.546 1.00 7.29 H new ATOM 0 HB3 LYS A 3 7.909 8.854 3.633 1.00 7.29 H new ATOM 0 HG2 LYS A 3 9.019 8.280 5.664 1.00 8.54 H new ATOM 0 HG3 LYS A 3 7.924 6.953 5.996 1.00 8.54 H new ATOM 0 HD2 LYS A 3 9.669 5.722 5.135 1.00 9.85 H new ATOM 0 HD3 LYS A 3 8.825 6.056 3.636 1.00 9.85 H new ATOM 0 HE2 LYS A 3 11.262 7.522 4.699 1.00 10.80 H new ATOM 0 HE3 LYS A 3 11.230 6.378 3.372 1.00 10.80 H new ATOM 0 HZ1 LYS A 3 11.302 8.501 2.450 1.00 10.67 H new ATOM 0 HZ2 LYS A 3 9.708 7.962 2.224 1.00 10.67 H new ATOM 0 HZ3 LYS A 3 10.058 9.086 3.447 1.00 10.67 H new ATOM 35 N GLN A 4 5.742 10.429 3.199 1.00 4.85 N ATOM 36 CA GLN A 4 5.182 11.042 2.005 1.00 4.35 C ATOM 37 C GLN A 4 4.899 9.962 0.948 1.00 3.50 C ATOM 38 O GLN A 4 5.606 8.954 0.875 1.00 3.96 O ATOM 39 CB GLN A 4 6.172 12.113 1.504 1.00 6.12 C ATOM 40 CG GLN A 4 5.521 13.343 0.855 1.00 7.04 C ATOM 41 CD GLN A 4 5.306 13.165 -0.639 1.00 7.84 C ATOM 42 OE1 GLN A 4 6.268 13.184 -1.399 1.00 8.99 O ATOM 43 NE2 GLN A 4 4.070 12.992 -1.077 1.00 7.83 N ATOM 0 H GLN A 4 6.534 10.951 3.575 1.00 4.85 H new ATOM 0 HA GLN A 4 4.230 11.527 2.221 1.00 4.35 H new ATOM 0 HB2 GLN A 4 6.782 12.444 2.344 1.00 6.12 H new ATOM 0 HB3 GLN A 4 6.847 11.654 0.782 1.00 6.12 H new ATOM 0 HG2 GLN A 4 4.563 13.540 1.336 1.00 7.04 H new ATOM 0 HG3 GLN A 4 6.150 14.217 1.027 1.00 7.04 H new ATOM 0 HE21 GLN A 4 3.292 12.981 -0.417 1.00 7.83 H new ATOM 0 HE22 GLN A 4 3.895 12.869 -2.074 1.00 7.83 H new ATOM 52 N ASP A 5 3.819 10.174 0.198 1.00 3.34 N ATOM 53 CA ASP A 5 3.246 9.292 -0.807 1.00 3.64 C ATOM 54 C ASP A 5 3.281 7.808 -0.421 1.00 2.88 C ATOM 55 O ASP A 5 3.636 6.936 -1.205 1.00 4.17 O ATOM 56 CB ASP A 5 3.890 9.598 -2.154 1.00 5.60 C ATOM 57 CG ASP A 5 3.189 8.901 -3.310 1.00 6.78 C ATOM 58 OD1 ASP A 5 1.937 8.953 -3.327 1.00 7.59 O ATOM 59 OD2 ASP A 5 3.919 8.410 -4.197 1.00 7.41 O ATOM 0 H ASP A 5 3.282 11.037 0.288 1.00 3.34 H new ATOM 0 HA ASP A 5 2.178 9.496 -0.882 1.00 3.64 H new ATOM 0 HB2 ASP A 5 3.877 10.675 -2.322 1.00 5.60 H new ATOM 0 HB3 ASP A 5 4.936 9.292 -2.130 1.00 5.60 H new ATOM 64 N TYR A 6 2.893 7.517 0.824 1.00 1.41 N ATOM 65 CA TYR A 6 2.433 6.193 1.231 1.00 1.05 C ATOM 66 C TYR A 6 3.466 5.065 1.099 1.00 0.99 C ATOM 67 O TYR A 6 3.110 3.919 1.348 1.00 1.23 O ATOM 68 CB TYR A 6 1.146 5.870 0.461 1.00 1.17 C ATOM 69 CG TYR A 6 0.021 6.894 0.504 1.00 1.70 C ATOM 70 CD1 TYR A 6 -0.101 7.818 1.563 1.00 3.07 C ATOM 71 CD2 TYR A 6 -1.024 6.781 -0.430 1.00 2.36 C ATOM 72 CE1 TYR A 6 -1.297 8.530 1.745 1.00 3.71 C ATOM 73 CE2 TYR A 6 -2.213 7.504 -0.250 1.00 3.07 C ATOM 74 CZ TYR A 6 -2.374 8.325 0.871 1.00 3.35 C ATOM 75 OH TYR A 6 -3.559 8.958 1.086 1.00 4.26 O ATOM 0 H TYR A 6 2.891 8.201 1.581 1.00 1.41 H new ATOM 0 HA TYR A 6 2.248 6.240 2.304 1.00 1.05 H new ATOM 0 HB2 TYR A 6 1.412 5.707 -0.583 1.00 1.17 H new ATOM 0 HB3 TYR A 6 0.755 4.926 0.841 1.00 1.17 H new ATOM 0 HD1 TYR A 6 0.728 7.978 2.236 1.00 3.07 H new ATOM 0 HD2 TYR A 6 -0.911 6.136 -1.289 1.00 2.36 H new ATOM 0 HE1 TYR A 6 -1.388 9.235 2.558 1.00 3.71 H new ATOM 0 HE2 TYR A 6 -3.006 7.426 -0.979 1.00 3.07 H new ATOM 0 HH TYR A 6 -4.283 8.447 0.668 1.00 4.26 H new ATOM 85 N TYR A 7 4.745 5.340 0.837 1.00 0.98 N ATOM 86 CA TYR A 7 5.769 4.312 0.678 1.00 0.96 C ATOM 87 C TYR A 7 5.759 3.442 1.916 1.00 0.92 C ATOM 88 O TYR A 7 5.605 2.231 1.850 1.00 1.21 O ATOM 89 CB TYR A 7 7.139 4.989 0.493 1.00 1.00 C ATOM 90 CG TYR A 7 7.487 5.526 -0.890 1.00 1.58 C ATOM 91 CD1 TYR A 7 6.629 5.368 -1.995 1.00 2.39 C ATOM 92 CD2 TYR A 7 8.735 6.145 -1.082 1.00 2.76 C ATOM 93 CE1 TYR A 7 7.064 5.718 -3.284 1.00 3.38 C ATOM 94 CE2 TYR A 7 9.148 6.546 -2.364 1.00 3.68 C ATOM 95 CZ TYR A 7 8.305 6.344 -3.464 1.00 3.77 C ATOM 96 OH TYR A 7 8.709 6.716 -4.711 1.00 4.91 O ATOM 0 H TYR A 7 5.100 6.290 0.729 1.00 0.98 H new ATOM 0 HA TYR A 7 5.572 3.694 -0.198 1.00 0.96 H new ATOM 0 HB2 TYR A 7 7.201 5.817 1.199 1.00 1.00 H new ATOM 0 HB3 TYR A 7 7.908 4.271 0.776 1.00 1.00 H new ATOM 0 HD1 TYR A 7 5.633 4.976 -1.851 1.00 2.39 H new ATOM 0 HD2 TYR A 7 9.383 6.314 -0.235 1.00 2.76 H new ATOM 0 HE1 TYR A 7 6.440 5.504 -4.139 1.00 3.38 H new ATOM 0 HE2 TYR A 7 10.114 7.009 -2.501 1.00 3.68 H new ATOM 0 HH TYR A 7 9.592 7.137 -4.657 1.00 4.91 H new ATOM 106 N GLU A 8 5.901 4.064 3.075 1.00 0.83 N ATOM 107 CA GLU A 8 6.142 3.317 4.278 1.00 0.95 C ATOM 108 C GLU A 8 4.881 2.650 4.801 1.00 0.90 C ATOM 109 O GLU A 8 4.962 1.679 5.552 1.00 0.95 O ATOM 110 CB GLU A 8 6.699 4.274 5.319 1.00 1.11 C ATOM 111 CG GLU A 8 7.960 3.644 5.873 1.00 1.59 C ATOM 112 CD GLU A 8 8.453 4.310 7.131 1.00 1.64 C ATOM 113 OE1 GLU A 8 7.635 4.900 7.874 1.00 2.23 O ATOM 114 OE2 GLU A 8 9.677 4.192 7.345 1.00 2.72 O ATOM 0 H GLU A 8 5.853 5.075 3.199 1.00 0.83 H new ATOM 0 HA GLU A 8 6.852 2.518 4.063 1.00 0.95 H new ATOM 0 HB2 GLU A 8 6.917 5.244 4.873 1.00 1.11 H new ATOM 0 HB3 GLU A 8 5.972 4.445 6.113 1.00 1.11 H new ATOM 0 HG2 GLU A 8 7.772 2.590 6.077 1.00 1.59 H new ATOM 0 HG3 GLU A 8 8.743 3.687 5.116 1.00 1.59 H new ATOM 121 N ILE A 9 3.738 3.243 4.474 1.00 0.84 N ATOM 122 CA ILE A 9 2.442 2.870 4.988 1.00 0.91 C ATOM 123 C ILE A 9 2.226 1.373 4.822 1.00 1.00 C ATOM 124 O ILE A 9 1.905 0.683 5.792 1.00 1.21 O ATOM 125 CB ILE A 9 1.379 3.730 4.292 1.00 1.01 C ATOM 126 CG1 ILE A 9 1.488 5.156 4.850 1.00 1.27 C ATOM 127 CG2 ILE A 9 -0.036 3.190 4.479 1.00 1.24 C ATOM 128 CD1 ILE A 9 0.304 5.999 4.400 1.00 1.24 C ATOM 0 H ILE A 9 3.696 4.024 3.819 1.00 0.84 H new ATOM 0 HA ILE A 9 2.368 3.062 6.058 1.00 0.91 H new ATOM 0 HB ILE A 9 1.566 3.713 3.218 1.00 1.01 H new ATOM 0 HG12 ILE A 9 1.526 5.124 5.939 1.00 1.27 H new ATOM 0 HG13 ILE A 9 2.417 5.615 4.512 1.00 1.27 H new ATOM 0 HG21 ILE A 9 -0.744 3.840 3.965 1.00 1.24 H new ATOM 0 HG22 ILE A 9 -0.099 2.184 4.064 1.00 1.24 H new ATOM 0 HG23 ILE A 9 -0.277 3.160 5.542 1.00 1.24 H new ATOM 0 HD11 ILE A 9 0.399 7.006 4.806 1.00 1.24 H new ATOM 0 HD12 ILE A 9 0.284 6.047 3.311 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -0.621 5.549 4.760 1.00 1.24 H new ATOM 140 N LEU A 10 2.429 0.848 3.615 1.00 1.06 N ATOM 141 CA LEU A 10 2.212 -0.557 3.388 1.00 1.52 C ATOM 142 C LEU A 10 3.186 -1.417 4.199 1.00 1.82 C ATOM 143 O LEU A 10 2.813 -2.507 4.614 1.00 2.32 O ATOM 144 CB LEU A 10 2.134 -0.894 1.900 1.00 1.67 C ATOM 145 CG LEU A 10 3.385 -0.563 1.087 1.00 1.04 C ATOM 146 CD1 LEU A 10 3.643 -1.704 0.109 1.00 2.39 C ATOM 147 CD2 LEU A 10 3.221 0.737 0.306 1.00 2.20 C ATOM 0 H LEU A 10 2.739 1.375 2.798 1.00 1.06 H new ATOM 0 HA LEU A 10 1.226 -0.817 3.773 1.00 1.52 H new ATOM 0 HB2 LEU A 10 1.925 -1.959 1.796 1.00 1.67 H new ATOM 0 HB3 LEU A 10 1.288 -0.360 1.468 1.00 1.67 H new ATOM 0 HG LEU A 10 4.222 -0.438 1.774 1.00 1.04 H new ATOM 0 HD11 LEU A 10 4.533 -1.484 -0.480 1.00 2.39 H new ATOM 0 HD12 LEU A 10 3.794 -2.631 0.663 1.00 2.39 H new ATOM 0 HD13 LEU A 10 2.786 -1.814 -0.556 1.00 2.39 H new ATOM 0 HD21 LEU A 10 4.131 0.939 -0.260 1.00 2.20 H new ATOM 0 HD22 LEU A 10 2.380 0.645 -0.381 1.00 2.20 H new ATOM 0 HD23 LEU A 10 3.035 1.557 1.000 1.00 2.20 H new ATOM 159 N GLY A 11 4.381 -0.919 4.525 1.00 1.73 N ATOM 160 CA GLY A 11 5.294 -1.597 5.440 1.00 2.16 C ATOM 161 C GLY A 11 6.452 -2.166 4.642 1.00 2.07 C ATOM 162 O GLY A 11 6.610 -3.384 4.518 1.00 2.17 O ATOM 0 H GLY A 11 4.740 -0.036 4.161 1.00 1.73 H new ATOM 0 HA2 GLY A 11 5.661 -0.899 6.193 1.00 2.16 H new ATOM 0 HA3 GLY A 11 4.774 -2.394 5.971 1.00 2.16 H new ATOM 166 N VAL A 12 7.251 -1.272 4.075 1.00 1.96 N ATOM 167 CA VAL A 12 8.273 -1.585 3.097 1.00 1.91 C ATOM 168 C VAL A 12 9.418 -0.592 3.279 1.00 2.27 C ATOM 169 O VAL A 12 9.293 0.361 4.059 1.00 2.49 O ATOM 170 CB VAL A 12 7.614 -1.598 1.703 1.00 1.49 C ATOM 171 CG1 VAL A 12 7.006 -0.257 1.307 1.00 1.48 C ATOM 172 CG2 VAL A 12 8.506 -2.115 0.577 1.00 1.48 C ATOM 0 H VAL A 12 7.200 -0.277 4.294 1.00 1.96 H new ATOM 0 HA VAL A 12 8.714 -2.574 3.223 1.00 1.91 H new ATOM 0 HB VAL A 12 6.807 -2.321 1.826 1.00 1.49 H new ATOM 0 HG11 VAL A 12 6.560 -0.338 0.316 1.00 1.48 H new ATOM 0 HG12 VAL A 12 6.238 0.022 2.029 1.00 1.48 H new ATOM 0 HG13 VAL A 12 7.785 0.506 1.293 1.00 1.48 H new ATOM 0 HG21 VAL A 12 7.957 -2.087 -0.364 1.00 1.48 H new ATOM 0 HG22 VAL A 12 9.393 -1.487 0.498 1.00 1.48 H new ATOM 0 HG23 VAL A 12 8.805 -3.141 0.792 1.00 1.48 H new ATOM 182 N SER A 13 10.548 -0.852 2.618 1.00 2.40 N ATOM 183 CA SER A 13 11.754 -0.052 2.745 1.00 2.83 C ATOM 184 C SER A 13 11.475 1.411 2.381 1.00 2.97 C ATOM 185 O SER A 13 10.392 1.763 1.916 1.00 3.26 O ATOM 186 CB SER A 13 12.881 -0.669 1.902 1.00 2.92 C ATOM 187 OG SER A 13 14.161 -0.297 2.398 1.00 3.20 O ATOM 0 H SER A 13 10.646 -1.636 1.973 1.00 2.40 H new ATOM 0 HA SER A 13 12.085 -0.054 3.783 1.00 2.83 H new ATOM 0 HB2 SER A 13 12.789 -1.755 1.907 1.00 2.92 H new ATOM 0 HB3 SER A 13 12.782 -0.345 0.866 1.00 2.92 H new ATOM 0 HG SER A 13 14.858 -0.705 1.843 1.00 3.20 H new ATOM 193 N LYS A 14 12.462 2.272 2.622 1.00 3.05 N ATOM 194 CA LYS A 14 12.295 3.712 2.569 1.00 3.35 C ATOM 195 C LYS A 14 11.667 4.163 1.250 1.00 3.23 C ATOM 196 O LYS A 14 10.677 4.889 1.257 1.00 3.48 O ATOM 197 CB LYS A 14 13.653 4.396 2.749 1.00 3.72 C ATOM 198 CG LYS A 14 14.313 4.131 4.110 1.00 4.26 C ATOM 199 CD LYS A 14 15.440 5.147 4.359 1.00 4.65 C ATOM 200 CE LYS A 14 16.476 5.226 3.224 1.00 4.76 C ATOM 201 NZ LYS A 14 17.314 4.018 3.111 1.00 5.97 N ATOM 0 H LYS A 14 13.409 1.980 2.862 1.00 3.05 H new ATOM 0 HA LYS A 14 11.621 3.998 3.377 1.00 3.35 H new ATOM 0 HB2 LYS A 14 14.325 4.059 1.960 1.00 3.72 H new ATOM 0 HB3 LYS A 14 13.526 5.471 2.622 1.00 3.72 H new ATOM 0 HG2 LYS A 14 13.569 4.201 4.903 1.00 4.26 H new ATOM 0 HG3 LYS A 14 14.714 3.118 4.137 1.00 4.26 H new ATOM 0 HD2 LYS A 14 15.000 6.134 4.504 1.00 4.65 H new ATOM 0 HD3 LYS A 14 15.951 4.887 5.286 1.00 4.65 H new ATOM 0 HE2 LYS A 14 15.957 5.389 2.279 1.00 4.76 H new ATOM 0 HE3 LYS A 14 17.119 6.091 3.388 1.00 4.76 H new ATOM 0 HZ1 LYS A 14 17.989 4.136 2.329 1.00 5.97 H new ATOM 0 HZ2 LYS A 14 17.835 3.872 3.999 1.00 5.97 H new ATOM 0 HZ3 LYS A 14 16.710 3.192 2.925 1.00 5.97 H new ATOM 215 N THR A 15 12.287 3.768 0.143 1.00 3.13 N ATOM 216 CA THR A 15 12.084 4.317 -1.184 1.00 3.18 C ATOM 217 C THR A 15 12.376 3.167 -2.151 1.00 3.05 C ATOM 218 O THR A 15 13.334 3.180 -2.928 1.00 3.67 O ATOM 219 CB THR A 15 13.028 5.519 -1.359 1.00 3.72 C ATOM 220 OG1 THR A 15 14.340 5.165 -0.961 1.00 4.21 O ATOM 221 CG2 THR A 15 12.614 6.708 -0.486 1.00 4.02 C ATOM 0 H THR A 15 12.979 3.018 0.152 1.00 3.13 H new ATOM 0 HA THR A 15 11.076 4.689 -1.365 1.00 3.18 H new ATOM 0 HB THR A 15 12.981 5.798 -2.412 1.00 3.72 H new ATOM 0 HG1 THR A 15 14.667 4.434 -1.526 1.00 4.21 H new ATOM 0 HG21 THR A 15 13.309 7.533 -0.642 1.00 4.02 H new ATOM 0 HG22 THR A 15 11.607 7.025 -0.757 1.00 4.02 H new ATOM 0 HG23 THR A 15 12.631 6.413 0.563 1.00 4.02 H new ATOM 229 N ALA A 16 11.644 2.081 -1.958 1.00 2.47 N ATOM 230 CA ALA A 16 11.815 0.816 -2.639 1.00 2.45 C ATOM 231 C ALA A 16 11.447 0.923 -4.120 1.00 2.53 C ATOM 232 O ALA A 16 10.843 1.908 -4.542 1.00 2.70 O ATOM 233 CB ALA A 16 10.958 -0.225 -1.925 1.00 2.14 C ATOM 0 H ALA A 16 10.876 2.062 -1.287 1.00 2.47 H new ATOM 0 HA ALA A 16 12.863 0.518 -2.605 1.00 2.45 H new ATOM 0 HB1 ALA A 16 11.069 -1.190 -2.420 1.00 2.14 H new ATOM 0 HB2 ALA A 16 11.279 -0.311 -0.887 1.00 2.14 H new ATOM 0 HB3 ALA A 16 9.912 0.081 -1.957 1.00 2.14 H new ATOM 239 N GLU A 17 11.822 -0.075 -4.921 1.00 2.58 N ATOM 240 CA GLU A 17 11.277 -0.249 -6.251 1.00 2.60 C ATOM 241 C GLU A 17 9.806 -0.675 -6.124 1.00 2.29 C ATOM 242 O GLU A 17 9.444 -1.352 -5.157 1.00 2.03 O ATOM 243 CB GLU A 17 12.092 -1.333 -6.984 1.00 2.70 C ATOM 244 CG GLU A 17 12.106 -1.051 -8.487 1.00 2.92 C ATOM 245 CD GLU A 17 12.144 -2.295 -9.356 1.00 2.95 C ATOM 246 OE1 GLU A 17 13.093 -3.096 -9.228 1.00 3.94 O ATOM 247 OE2 GLU A 17 11.203 -2.469 -10.158 1.00 2.66 O ATOM 0 H GLU A 17 12.511 -0.780 -4.659 1.00 2.58 H new ATOM 0 HA GLU A 17 11.333 0.680 -6.819 1.00 2.60 H new ATOM 0 HB2 GLU A 17 13.112 -1.354 -6.600 1.00 2.70 H new ATOM 0 HB3 GLU A 17 11.659 -2.315 -6.794 1.00 2.70 H new ATOM 0 HG2 GLU A 17 11.221 -0.470 -8.744 1.00 2.92 H new ATOM 0 HG3 GLU A 17 12.972 -0.432 -8.721 1.00 2.92 H new ATOM 254 N GLU A 18 8.979 -0.384 -7.133 1.00 2.37 N ATOM 255 CA GLU A 18 7.595 -0.848 -7.167 1.00 2.18 C ATOM 256 C GLU A 18 7.554 -2.365 -6.991 1.00 1.99 C ATOM 257 O GLU A 18 6.712 -2.910 -6.287 1.00 1.89 O ATOM 258 CB GLU A 18 6.932 -0.496 -8.500 1.00 2.39 C ATOM 259 CG GLU A 18 5.404 -0.551 -8.376 1.00 2.24 C ATOM 260 CD GLU A 18 4.816 -1.191 -9.605 1.00 2.74 C ATOM 261 OE1 GLU A 18 4.716 -0.494 -10.633 1.00 3.56 O ATOM 262 OE2 GLU A 18 4.542 -2.406 -9.559 1.00 3.53 O ATOM 0 H GLU A 18 9.250 0.176 -7.942 1.00 2.37 H new ATOM 0 HA GLU A 18 7.056 -0.356 -6.357 1.00 2.18 H new ATOM 0 HB2 GLU A 18 7.241 0.501 -8.813 1.00 2.39 H new ATOM 0 HB3 GLU A 18 7.265 -1.190 -9.272 1.00 2.39 H new ATOM 0 HG2 GLU A 18 5.122 -1.118 -7.489 1.00 2.24 H new ATOM 0 HG3 GLU A 18 5.004 0.455 -8.252 1.00 2.24 H new ATOM 269 N ARG A 19 8.505 -3.052 -7.617 1.00 2.00 N ATOM 270 CA ARG A 19 8.687 -4.483 -7.476 1.00 1.91 C ATOM 271 C ARG A 19 8.581 -4.927 -6.013 1.00 1.60 C ATOM 272 O ARG A 19 7.980 -5.963 -5.724 1.00 1.44 O ATOM 273 CB ARG A 19 10.040 -4.827 -8.096 1.00 2.22 C ATOM 274 CG ARG A 19 10.541 -6.246 -7.822 1.00 2.91 C ATOM 275 CD ARG A 19 11.685 -6.250 -6.793 1.00 4.62 C ATOM 276 NE ARG A 19 12.422 -7.522 -6.820 1.00 5.69 N ATOM 277 CZ ARG A 19 13.231 -7.959 -5.841 1.00 7.22 C ATOM 278 NH1 ARG A 19 13.600 -7.153 -4.843 1.00 7.98 N ATOM 279 NH2 ARG A 19 13.678 -9.210 -5.842 1.00 8.41 N ATOM 0 H ARG A 19 9.180 -2.617 -8.246 1.00 2.00 H new ATOM 0 HA ARG A 19 7.895 -5.024 -7.993 1.00 1.91 H new ATOM 0 HB2 ARG A 19 9.974 -4.684 -9.175 1.00 2.22 H new ATOM 0 HB3 ARG A 19 10.782 -4.119 -7.726 1.00 2.22 H new ATOM 0 HG2 ARG A 19 9.718 -6.859 -7.455 1.00 2.91 H new ATOM 0 HG3 ARG A 19 10.885 -6.698 -8.752 1.00 2.91 H new ATOM 0 HD2 ARG A 19 12.368 -5.427 -7.002 1.00 4.62 H new ATOM 0 HD3 ARG A 19 11.280 -6.083 -5.795 1.00 4.62 H new ATOM 0 HE ARG A 19 12.311 -8.116 -7.642 1.00 5.69 H new ATOM 0 HH11 ARG A 19 13.267 -6.189 -4.816 1.00 7.98 H new ATOM 0 HH12 ARG A 19 14.215 -7.501 -4.107 1.00 7.98 H new ATOM 0 HH21 ARG A 19 13.407 -9.848 -6.591 1.00 8.41 H new ATOM 0 HH22 ARG A 19 14.292 -9.533 -5.094 1.00 8.41 H new ATOM 293 N GLU A 20 9.176 -4.165 -5.097 1.00 1.62 N ATOM 294 CA GLU A 20 9.181 -4.470 -3.680 1.00 1.46 C ATOM 295 C GLU A 20 7.893 -3.975 -3.015 1.00 1.25 C ATOM 296 O GLU A 20 7.379 -4.664 -2.132 1.00 1.08 O ATOM 297 CB GLU A 20 10.435 -3.854 -3.068 1.00 1.69 C ATOM 298 CG GLU A 20 10.624 -4.236 -1.598 1.00 1.69 C ATOM 299 CD GLU A 20 11.804 -3.536 -0.970 1.00 2.26 C ATOM 300 OE1 GLU A 20 12.880 -3.611 -1.602 1.00 2.43 O ATOM 301 OE2 GLU A 20 11.661 -3.025 0.158 1.00 3.33 O ATOM 0 H GLU A 20 9.674 -3.306 -5.329 1.00 1.62 H new ATOM 0 HA GLU A 20 9.207 -5.547 -3.517 1.00 1.46 H new ATOM 0 HB2 GLU A 20 11.307 -4.175 -3.637 1.00 1.69 H new ATOM 0 HB3 GLU A 20 10.380 -2.769 -3.153 1.00 1.69 H new ATOM 0 HG2 GLU A 20 9.720 -3.989 -1.042 1.00 1.69 H new ATOM 0 HG3 GLU A 20 10.761 -5.315 -1.520 1.00 1.69 H new ATOM 308 N ILE A 21 7.351 -2.829 -3.445 1.00 1.33 N ATOM 309 CA ILE A 21 6.075 -2.307 -2.945 1.00 1.24 C ATOM 310 C ILE A 21 5.024 -3.395 -3.096 1.00 1.14 C ATOM 311 O ILE A 21 4.344 -3.789 -2.150 1.00 1.02 O ATOM 312 CB ILE A 21 5.635 -1.075 -3.772 1.00 1.35 C ATOM 313 CG1 ILE A 21 6.536 0.147 -3.554 1.00 1.46 C ATOM 314 CG2 ILE A 21 4.152 -0.705 -3.580 1.00 1.33 C ATOM 315 CD1 ILE A 21 6.560 0.549 -2.086 1.00 1.52 C ATOM 0 H ILE A 21 7.787 -2.237 -4.152 1.00 1.33 H new ATOM 0 HA ILE A 21 6.188 -2.012 -1.902 1.00 1.24 H new ATOM 0 HB ILE A 21 5.753 -1.387 -4.810 1.00 1.35 H new ATOM 0 HG12 ILE A 21 7.548 -0.078 -3.890 1.00 1.46 H new ATOM 0 HG13 ILE A 21 6.177 0.981 -4.158 1.00 1.46 H new ATOM 0 HG21 ILE A 21 3.913 0.167 -4.189 1.00 1.33 H new ATOM 0 HG22 ILE A 21 3.525 -1.543 -3.885 1.00 1.33 H new ATOM 0 HG23 ILE A 21 3.967 -0.476 -2.530 1.00 1.33 H new ATOM 0 HD11 ILE A 21 7.206 1.418 -1.957 1.00 1.52 H new ATOM 0 HD12 ILE A 21 5.550 0.796 -1.760 1.00 1.52 H new ATOM 0 HD13 ILE A 21 6.942 -0.279 -1.488 1.00 1.52 H new ATOM 327 N ARG A 22 4.939 -3.890 -4.322 1.00 1.26 N ATOM 328 CA ARG A 22 4.009 -4.890 -4.776 1.00 1.34 C ATOM 329 C ARG A 22 4.123 -6.107 -3.857 1.00 1.08 C ATOM 330 O ARG A 22 3.116 -6.600 -3.350 1.00 1.24 O ATOM 331 CB ARG A 22 4.388 -5.143 -6.243 1.00 1.79 C ATOM 332 CG ARG A 22 3.393 -5.949 -7.073 1.00 1.64 C ATOM 333 CD ARG A 22 3.629 -5.579 -8.549 1.00 2.07 C ATOM 334 NE ARG A 22 2.811 -6.403 -9.456 1.00 2.52 N ATOM 335 CZ ARG A 22 1.484 -6.269 -9.608 1.00 2.24 C ATOM 336 NH1 ARG A 22 0.855 -5.277 -8.983 1.00 2.71 N ATOM 337 NH2 ARG A 22 0.799 -7.138 -10.343 1.00 2.76 N ATOM 0 H ARG A 22 5.562 -3.578 -5.067 1.00 1.26 H new ATOM 0 HA ARG A 22 2.959 -4.602 -4.734 1.00 1.34 H new ATOM 0 HB2 ARG A 22 4.535 -4.178 -6.729 1.00 1.79 H new ATOM 0 HB3 ARG A 22 5.347 -5.660 -6.263 1.00 1.79 H new ATOM 0 HG2 ARG A 22 3.538 -7.018 -6.916 1.00 1.64 H new ATOM 0 HG3 ARG A 22 2.369 -5.719 -6.777 1.00 1.64 H new ATOM 0 HD2 ARG A 22 3.393 -4.526 -8.702 1.00 2.07 H new ATOM 0 HD3 ARG A 22 4.684 -5.708 -8.792 1.00 2.07 H new ATOM 0 HE ARG A 22 3.284 -7.122 -10.004 1.00 2.52 H new ATOM 0 HH11 ARG A 22 1.381 -4.629 -8.396 1.00 2.71 H new ATOM 0 HH12 ARG A 22 -0.153 -5.164 -9.090 1.00 2.71 H new ATOM 0 HH21 ARG A 22 1.281 -7.914 -10.797 1.00 2.76 H new ATOM 0 HH22 ARG A 22 -0.209 -7.029 -10.454 1.00 2.76 H new ATOM 351 N LYS A 23 5.351 -6.561 -3.593 1.00 0.82 N ATOM 352 CA LYS A 23 5.580 -7.661 -2.690 1.00 0.79 C ATOM 353 C LYS A 23 5.184 -7.347 -1.248 1.00 0.63 C ATOM 354 O LYS A 23 4.651 -8.239 -0.590 1.00 0.70 O ATOM 355 CB LYS A 23 7.011 -8.201 -2.790 1.00 0.87 C ATOM 356 CG LYS A 23 7.063 -9.461 -3.659 1.00 1.57 C ATOM 357 CD LYS A 23 6.735 -9.126 -5.116 1.00 1.66 C ATOM 358 CE LYS A 23 6.861 -10.362 -6.007 1.00 2.23 C ATOM 359 NZ LYS A 23 8.270 -10.755 -6.234 1.00 2.27 N ATOM 0 H LYS A 23 6.200 -6.171 -4.002 1.00 0.82 H new ATOM 0 HA LYS A 23 4.913 -8.459 -3.016 1.00 0.79 H new ATOM 0 HB2 LYS A 23 7.663 -7.437 -3.212 1.00 0.87 H new ATOM 0 HB3 LYS A 23 7.389 -8.427 -1.793 1.00 0.87 H new ATOM 0 HG2 LYS A 23 8.054 -9.910 -3.598 1.00 1.57 H new ATOM 0 HG3 LYS A 23 6.355 -10.199 -3.282 1.00 1.57 H new ATOM 0 HD2 LYS A 23 5.722 -8.728 -5.182 1.00 1.66 H new ATOM 0 HD3 LYS A 23 7.408 -8.346 -5.473 1.00 1.66 H new ATOM 0 HE2 LYS A 23 6.325 -11.193 -5.549 1.00 2.23 H new ATOM 0 HE3 LYS A 23 6.383 -10.165 -6.966 1.00 2.23 H new ATOM 0 HZ1 LYS A 23 8.304 -11.566 -6.884 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 8.791 -9.956 -6.649 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 8.707 -11.019 -5.328 1.00 2.27 H new ATOM 373 N ALA A 24 5.470 -6.150 -0.728 1.00 0.56 N ATOM 374 CA ALA A 24 5.137 -5.832 0.649 1.00 0.65 C ATOM 375 C ALA A 24 3.626 -5.833 0.819 1.00 0.51 C ATOM 376 O ALA A 24 3.120 -6.569 1.663 1.00 0.63 O ATOM 377 CB ALA A 24 5.761 -4.503 1.055 1.00 1.02 C ATOM 0 H ALA A 24 5.927 -5.396 -1.241 1.00 0.56 H new ATOM 0 HA ALA A 24 5.550 -6.592 1.313 1.00 0.65 H new ATOM 0 HB1 ALA A 24 5.501 -4.280 2.090 1.00 1.02 H new ATOM 0 HB2 ALA A 24 6.845 -4.565 0.958 1.00 1.02 H new ATOM 0 HB3 ALA A 24 5.384 -3.711 0.408 1.00 1.02 H new ATOM 383 N TYR A 25 2.906 -5.081 -0.018 1.00 0.67 N ATOM 384 CA TYR A 25 1.445 -5.061 0.080 1.00 0.85 C ATOM 385 C TYR A 25 0.906 -6.493 0.028 1.00 0.85 C ATOM 386 O TYR A 25 0.175 -6.924 0.922 1.00 0.74 O ATOM 387 CB TYR A 25 0.847 -4.210 -1.054 1.00 1.33 C ATOM 388 CG TYR A 25 -0.524 -4.653 -1.553 1.00 1.04 C ATOM 389 CD1 TYR A 25 -1.688 -4.358 -0.818 1.00 2.07 C ATOM 390 CD2 TYR A 25 -0.622 -5.475 -2.695 1.00 1.77 C ATOM 391 CE1 TYR A 25 -2.917 -4.941 -1.177 1.00 1.96 C ATOM 392 CE2 TYR A 25 -1.845 -6.081 -3.031 1.00 1.91 C ATOM 393 CZ TYR A 25 -2.988 -5.839 -2.249 1.00 1.12 C ATOM 394 OH TYR A 25 -4.148 -6.519 -2.487 1.00 1.54 O ATOM 0 H TYR A 25 3.298 -4.492 -0.753 1.00 0.67 H new ATOM 0 HA TYR A 25 1.154 -4.612 1.030 1.00 0.85 H new ATOM 0 HB2 TYR A 25 0.774 -3.178 -0.711 1.00 1.33 H new ATOM 0 HB3 TYR A 25 1.540 -4.217 -1.895 1.00 1.33 H new ATOM 0 HD1 TYR A 25 -1.637 -3.683 0.023 1.00 2.07 H new ATOM 0 HD2 TYR A 25 0.247 -5.640 -3.315 1.00 1.77 H new ATOM 0 HE1 TYR A 25 -3.811 -4.695 -0.623 1.00 1.96 H new ATOM 0 HE2 TYR A 25 -1.907 -6.733 -3.890 1.00 1.91 H new ATOM 0 HH TYR A 25 -4.032 -7.101 -3.267 1.00 1.54 H new ATOM 404 N LYS A 26 1.290 -7.240 -1.009 1.00 1.20 N ATOM 405 CA LYS A 26 0.787 -8.584 -1.200 1.00 1.62 C ATOM 406 C LYS A 26 1.087 -9.431 0.039 1.00 1.59 C ATOM 407 O LYS A 26 0.240 -10.195 0.493 1.00 1.83 O ATOM 408 CB LYS A 26 1.386 -9.181 -2.481 1.00 1.98 C ATOM 409 CG LYS A 26 0.650 -10.434 -2.971 1.00 2.88 C ATOM 410 CD LYS A 26 -0.774 -10.115 -3.462 1.00 4.46 C ATOM 411 CE LYS A 26 -1.258 -11.167 -4.472 1.00 5.15 C ATOM 412 NZ LYS A 26 -0.707 -10.965 -5.829 1.00 5.79 N ATOM 0 H LYS A 26 1.948 -6.929 -1.724 1.00 1.20 H new ATOM 0 HA LYS A 26 -0.296 -8.568 -1.324 1.00 1.62 H new ATOM 0 HB2 LYS A 26 1.367 -8.427 -3.268 1.00 1.98 H new ATOM 0 HB3 LYS A 26 2.432 -9.430 -2.302 1.00 1.98 H new ATOM 0 HG2 LYS A 26 1.217 -10.894 -3.780 1.00 2.88 H new ATOM 0 HG3 LYS A 26 0.599 -11.163 -2.163 1.00 2.88 H new ATOM 0 HD2 LYS A 26 -1.456 -10.081 -2.612 1.00 4.46 H new ATOM 0 HD3 LYS A 26 -0.790 -9.128 -3.924 1.00 4.46 H new ATOM 0 HE2 LYS A 26 -0.978 -12.159 -4.117 1.00 5.15 H new ATOM 0 HE3 LYS A 26 -2.347 -11.141 -4.521 1.00 5.15 H new ATOM 0 HZ1 LYS A 26 -1.069 -11.704 -6.464 1.00 5.79 H new ATOM 0 HZ2 LYS A 26 -0.995 -10.031 -6.185 1.00 5.79 H new ATOM 0 HZ3 LYS A 26 0.331 -11.017 -5.793 1.00 5.79 H new ATOM 426 N ARG A 27 2.296 -9.312 0.591 1.00 1.42 N ATOM 427 CA ARG A 27 2.664 -10.086 1.758 1.00 1.68 C ATOM 428 C ARG A 27 1.776 -9.729 2.941 1.00 1.58 C ATOM 429 O ARG A 27 1.251 -10.639 3.585 1.00 1.95 O ATOM 430 CB ARG A 27 4.151 -9.927 2.097 1.00 1.72 C ATOM 431 CG ARG A 27 4.643 -11.056 3.011 1.00 2.72 C ATOM 432 CD ARG A 27 4.395 -10.756 4.498 1.00 3.52 C ATOM 433 NE ARG A 27 4.435 -11.955 5.349 1.00 4.86 N ATOM 434 CZ ARG A 27 3.571 -12.982 5.299 1.00 6.76 C ATOM 435 NH1 ARG A 27 2.504 -12.937 4.503 1.00 7.71 N ATOM 436 NH2 ARG A 27 3.745 -14.071 6.042 1.00 8.09 N ATOM 0 H ARG A 27 3.026 -8.689 0.245 1.00 1.42 H new ATOM 0 HA ARG A 27 2.505 -11.139 1.526 1.00 1.68 H new ATOM 0 HB2 ARG A 27 4.736 -9.921 1.177 1.00 1.72 H new ATOM 0 HB3 ARG A 27 4.313 -8.966 2.585 1.00 1.72 H new ATOM 0 HG2 ARG A 27 4.139 -11.984 2.741 1.00 2.72 H new ATOM 0 HG3 ARG A 27 5.709 -11.213 2.848 1.00 2.72 H new ATOM 0 HD2 ARG A 27 5.144 -10.046 4.848 1.00 3.52 H new ATOM 0 HD3 ARG A 27 3.423 -10.274 4.607 1.00 3.52 H new ATOM 0 HE ARG A 27 5.185 -12.011 6.038 1.00 4.86 H new ATOM 0 HH11 ARG A 27 2.335 -12.116 3.922 1.00 7.71 H new ATOM 0 HH12 ARG A 27 1.856 -13.724 4.474 1.00 7.71 H new ATOM 0 HH21 ARG A 27 4.548 -14.139 6.667 1.00 8.09 H new ATOM 0 HH22 ARG A 27 3.075 -14.838 5.987 1.00 8.09 H new ATOM 450 N LEU A 28 1.667 -8.447 3.299 1.00 1.10 N ATOM 451 CA LEU A 28 0.917 -8.047 4.479 1.00 1.07 C ATOM 452 C LEU A 28 -0.512 -8.557 4.397 1.00 1.01 C ATOM 453 O LEU A 28 -1.032 -9.066 5.392 1.00 1.21 O ATOM 454 CB LEU A 28 0.909 -6.531 4.681 1.00 1.03 C ATOM 455 CG LEU A 28 2.102 -6.042 5.511 1.00 1.49 C ATOM 456 CD1 LEU A 28 3.316 -5.776 4.623 1.00 2.48 C ATOM 457 CD2 LEU A 28 1.686 -4.773 6.255 1.00 1.29 C ATOM 0 H LEU A 28 2.090 -7.674 2.786 1.00 1.10 H new ATOM 0 HA LEU A 28 1.420 -8.492 5.337 1.00 1.07 H new ATOM 0 HB2 LEU A 28 0.921 -6.038 3.709 1.00 1.03 H new ATOM 0 HB3 LEU A 28 -0.017 -6.239 5.175 1.00 1.03 H new ATOM 0 HG LEU A 28 2.389 -6.813 6.226 1.00 1.49 H new ATOM 0 HD11 LEU A 28 4.147 -5.430 5.237 1.00 2.48 H new ATOM 0 HD12 LEU A 28 3.601 -6.695 4.111 1.00 2.48 H new ATOM 0 HD13 LEU A 28 3.067 -5.012 3.886 1.00 2.48 H new ATOM 0 HD21 LEU A 28 2.523 -4.410 6.852 1.00 1.29 H new ATOM 0 HD22 LEU A 28 1.395 -4.008 5.535 1.00 1.29 H new ATOM 0 HD23 LEU A 28 0.843 -4.995 6.910 1.00 1.29 H new ATOM 469 N ALA A 29 -1.100 -8.490 3.202 1.00 0.92 N ATOM 470 CA ALA A 29 -2.462 -8.937 2.986 1.00 1.08 C ATOM 471 C ALA A 29 -2.631 -10.377 3.479 1.00 1.41 C ATOM 472 O ALA A 29 -3.671 -10.735 4.031 1.00 1.62 O ATOM 473 CB ALA A 29 -2.793 -8.828 1.493 1.00 1.26 C ATOM 0 H ALA A 29 -0.643 -8.126 2.366 1.00 0.92 H new ATOM 0 HA ALA A 29 -3.150 -8.308 3.550 1.00 1.08 H new ATOM 0 HB1 ALA A 29 -3.816 -9.162 1.322 1.00 1.26 H new ATOM 0 HB2 ALA A 29 -2.692 -7.791 1.173 1.00 1.26 H new ATOM 0 HB3 ALA A 29 -2.107 -9.453 0.922 1.00 1.26 H new ATOM 479 N MET A 30 -1.601 -11.201 3.292 1.00 1.54 N ATOM 480 CA MET A 30 -1.560 -12.581 3.716 1.00 1.95 C ATOM 481 C MET A 30 -1.052 -12.725 5.160 1.00 1.97 C ATOM 482 O MET A 30 -1.360 -13.710 5.829 1.00 2.26 O ATOM 483 CB MET A 30 -0.720 -13.382 2.713 1.00 2.51 C ATOM 484 CG MET A 30 -1.320 -13.261 1.301 1.00 4.18 C ATOM 485 SD MET A 30 -0.523 -14.220 -0.007 1.00 5.00 S ATOM 486 CE MET A 30 1.156 -13.564 0.044 1.00 4.11 C ATOM 0 H MET A 30 -0.745 -10.905 2.823 1.00 1.54 H new ATOM 0 HA MET A 30 -2.572 -12.986 3.726 1.00 1.95 H new ATOM 0 HB2 MET A 30 0.306 -13.015 2.713 1.00 2.51 H new ATOM 0 HB3 MET A 30 -0.684 -14.429 3.012 1.00 2.51 H new ATOM 0 HG2 MET A 30 -2.368 -13.558 1.350 1.00 4.18 H new ATOM 0 HG3 MET A 30 -1.300 -12.210 1.012 1.00 4.18 H new ATOM 0 HE1 MET A 30 1.736 -13.984 -0.778 1.00 4.11 H new ATOM 0 HE2 MET A 30 1.126 -12.479 -0.051 1.00 4.11 H new ATOM 0 HE3 MET A 30 1.623 -13.832 0.992 1.00 4.11 H new ATOM 496 N LYS A 31 -0.260 -11.772 5.663 1.00 1.84 N ATOM 497 CA LYS A 31 0.328 -11.864 6.989 1.00 2.17 C ATOM 498 C LYS A 31 -0.775 -11.896 8.027 1.00 2.24 C ATOM 499 O LYS A 31 -0.860 -12.835 8.809 1.00 2.82 O ATOM 500 CB LYS A 31 1.281 -10.692 7.270 1.00 2.12 C ATOM 501 CG LYS A 31 1.888 -10.764 8.688 1.00 2.30 C ATOM 502 CD LYS A 31 1.265 -9.686 9.594 1.00 2.59 C ATOM 503 CE LYS A 31 1.355 -9.964 11.104 1.00 3.83 C ATOM 504 NZ LYS A 31 0.452 -11.034 11.587 1.00 5.55 N ATOM 0 H LYS A 31 -0.014 -10.921 5.158 1.00 1.84 H new ATOM 0 HA LYS A 31 0.913 -12.783 7.040 1.00 2.17 H new ATOM 0 HB2 LYS A 31 2.083 -10.693 6.532 1.00 2.12 H new ATOM 0 HB3 LYS A 31 0.742 -9.752 7.154 1.00 2.12 H new ATOM 0 HG2 LYS A 31 1.714 -11.752 9.115 1.00 2.30 H new ATOM 0 HG3 LYS A 31 2.968 -10.625 8.636 1.00 2.30 H new ATOM 0 HD2 LYS A 31 1.754 -8.734 9.387 1.00 2.59 H new ATOM 0 HD3 LYS A 31 0.215 -9.571 9.324 1.00 2.59 H new ATOM 0 HE2 LYS A 31 2.382 -10.234 11.350 1.00 3.83 H new ATOM 0 HE3 LYS A 31 1.129 -9.044 11.644 1.00 3.83 H new ATOM 0 HZ1 LYS A 31 0.576 -11.156 12.612 1.00 5.55 H new ATOM 0 HZ2 LYS A 31 -0.534 -10.773 11.386 1.00 5.55 H new ATOM 0 HZ3 LYS A 31 0.679 -11.925 11.102 1.00 5.55 H new ATOM 518 N TYR A 32 -1.564 -10.831 8.091 1.00 1.79 N ATOM 519 CA TYR A 32 -2.567 -10.713 9.132 1.00 2.15 C ATOM 520 C TYR A 32 -3.921 -11.254 8.693 1.00 2.05 C ATOM 521 O TYR A 32 -4.743 -11.508 9.568 1.00 3.02 O ATOM 522 CB TYR A 32 -2.663 -9.278 9.634 1.00 2.44 C ATOM 523 CG TYR A 32 -3.101 -8.258 8.620 1.00 1.93 C ATOM 524 CD1 TYR A 32 -4.471 -7.972 8.489 1.00 3.13 C ATOM 525 CD2 TYR A 32 -2.144 -7.444 7.991 1.00 2.20 C ATOM 526 CE1 TYR A 32 -4.876 -6.801 7.838 1.00 3.83 C ATOM 527 CE2 TYR A 32 -2.554 -6.274 7.337 1.00 2.72 C ATOM 528 CZ TYR A 32 -3.914 -5.931 7.309 1.00 3.35 C ATOM 529 OH TYR A 32 -4.278 -4.668 6.983 1.00 4.55 O ATOM 0 H TYR A 32 -1.527 -10.046 7.440 1.00 1.79 H new ATOM 0 HA TYR A 32 -2.245 -11.336 9.966 1.00 2.15 H new ATOM 0 HB2 TYR A 32 -3.360 -9.252 10.472 1.00 2.44 H new ATOM 0 HB3 TYR A 32 -1.688 -8.982 10.021 1.00 2.44 H new ATOM 0 HD1 TYR A 32 -5.208 -8.653 8.889 1.00 3.13 H new ATOM 0 HD2 TYR A 32 -1.100 -7.718 8.011 1.00 2.20 H new ATOM 0 HE1 TYR A 32 -5.927 -6.569 7.744 1.00 3.83 H new ATOM 0 HE2 TYR A 32 -1.825 -5.638 6.856 1.00 2.72 H new ATOM 0 HH TYR A 32 -5.087 -4.422 7.479 1.00 4.55 H new ATOM 539 N HIS A 33 -4.134 -11.408 7.379 1.00 1.52 N ATOM 540 CA HIS A 33 -5.358 -11.809 6.692 1.00 1.80 C ATOM 541 C HIS A 33 -6.558 -11.984 7.632 1.00 1.96 C ATOM 542 O HIS A 33 -6.584 -12.976 8.361 1.00 2.24 O ATOM 543 CB HIS A 33 -5.068 -13.091 5.901 1.00 2.25 C ATOM 544 CG HIS A 33 -6.064 -13.389 4.802 1.00 2.94 C ATOM 545 ND1 HIS A 33 -5.739 -13.662 3.493 1.00 3.83 N ATOM 546 CD2 HIS A 33 -7.432 -13.317 4.873 1.00 3.80 C ATOM 547 CE1 HIS A 33 -6.885 -13.715 2.794 1.00 4.38 C ATOM 548 NE2 HIS A 33 -7.950 -13.514 3.590 1.00 4.42 N ATOM 0 H HIS A 33 -3.380 -11.238 6.713 1.00 1.52 H new ATOM 0 HA HIS A 33 -5.650 -11.005 6.016 1.00 1.80 H new ATOM 0 HB2 HIS A 33 -4.073 -13.015 5.462 1.00 2.25 H new ATOM 0 HB3 HIS A 33 -5.047 -13.933 6.593 1.00 2.25 H new ATOM 0 HD2 HIS A 33 -8.010 -13.139 5.768 1.00 3.80 H new ATOM 0 HE1 HIS A 33 -6.943 -13.896 1.731 1.00 4.38 H new ATOM 0 HE2 HIS A 33 -8.932 -13.507 3.315 1.00 4.42 H new ATOM 556 N PRO A 34 -7.547 -11.078 7.649 1.00 2.36 N ATOM 557 CA PRO A 34 -8.732 -11.238 8.470 1.00 2.70 C ATOM 558 C PRO A 34 -9.575 -12.387 7.911 1.00 2.87 C ATOM 559 O PRO A 34 -10.554 -12.156 7.208 1.00 3.70 O ATOM 560 CB PRO A 34 -9.439 -9.879 8.437 1.00 3.52 C ATOM 561 CG PRO A 34 -9.055 -9.332 7.063 1.00 3.82 C ATOM 562 CD PRO A 34 -7.646 -9.877 6.837 1.00 2.97 C ATOM 0 HA PRO A 34 -8.520 -11.506 9.505 1.00 2.70 H new ATOM 0 HB2 PRO A 34 -10.519 -9.982 8.544 1.00 3.52 H new ATOM 0 HB3 PRO A 34 -9.100 -9.227 9.242 1.00 3.52 H new ATOM 0 HG2 PRO A 34 -9.744 -9.671 6.290 1.00 3.82 H new ATOM 0 HG3 PRO A 34 -9.070 -8.242 7.047 1.00 3.82 H new ATOM 0 HD2 PRO A 34 -7.479 -10.103 5.784 1.00 2.97 H new ATOM 0 HD3 PRO A 34 -6.893 -9.145 7.129 1.00 2.97 H new ATOM 570 N ASP A 35 -9.158 -13.623 8.212 1.00 2.81 N ATOM 571 CA ASP A 35 -9.731 -14.877 7.735 1.00 3.27 C ATOM 572 C ASP A 35 -11.245 -14.751 7.822 1.00 3.57 C ATOM 573 O ASP A 35 -11.969 -14.928 6.846 1.00 4.87 O ATOM 574 CB ASP A 35 -9.165 -16.020 8.593 1.00 3.62 C ATOM 575 CG ASP A 35 -9.521 -17.403 8.093 1.00 4.50 C ATOM 576 OD1 ASP A 35 -10.144 -17.532 7.018 1.00 5.65 O ATOM 577 OD2 ASP A 35 -9.095 -18.360 8.777 1.00 4.78 O ATOM 0 H ASP A 35 -8.364 -13.778 8.833 1.00 2.81 H new ATOM 0 HA ASP A 35 -9.474 -15.096 6.699 1.00 3.27 H new ATOM 0 HB2 ASP A 35 -8.080 -15.928 8.632 1.00 3.62 H new ATOM 0 HB3 ASP A 35 -9.531 -15.909 9.614 1.00 3.62 H new ATOM 582 N ARG A 36 -11.716 -14.474 9.031 1.00 3.00 N ATOM 583 CA ARG A 36 -13.006 -13.874 9.291 1.00 3.36 C ATOM 584 C ARG A 36 -12.718 -12.662 10.174 1.00 3.12 C ATOM 585 O ARG A 36 -12.894 -11.514 9.768 1.00 4.38 O ATOM 586 CB ARG A 36 -13.983 -14.904 9.848 1.00 3.96 C ATOM 587 CG ARG A 36 -13.488 -15.832 10.971 1.00 4.21 C ATOM 588 CD ARG A 36 -14.185 -17.193 10.838 1.00 5.17 C ATOM 589 NE ARG A 36 -13.713 -17.905 9.635 1.00 5.97 N ATOM 590 CZ ARG A 36 -12.850 -18.930 9.564 1.00 6.35 C ATOM 591 NH1 ARG A 36 -12.389 -19.536 10.659 1.00 6.12 N ATOM 592 NH2 ARG A 36 -12.460 -19.327 8.357 1.00 7.56 N ATOM 0 H ARG A 36 -11.188 -14.670 9.882 1.00 3.00 H new ATOM 0 HA ARG A 36 -13.522 -13.526 8.396 1.00 3.36 H new ATOM 0 HB2 ARG A 36 -14.858 -14.369 10.217 1.00 3.96 H new ATOM 0 HB3 ARG A 36 -14.317 -15.529 9.020 1.00 3.96 H new ATOM 0 HG2 ARG A 36 -12.407 -15.955 10.909 1.00 4.21 H new ATOM 0 HG3 ARG A 36 -13.703 -15.392 11.945 1.00 4.21 H new ATOM 0 HD2 ARG A 36 -13.988 -17.796 11.724 1.00 5.17 H new ATOM 0 HD3 ARG A 36 -15.264 -17.051 10.782 1.00 5.17 H new ATOM 0 HE ARG A 36 -14.090 -17.577 8.746 1.00 5.97 H new ATOM 0 HH11 ARG A 36 -12.692 -19.223 11.581 1.00 6.12 H new ATOM 0 HH12 ARG A 36 -11.734 -20.313 10.574 1.00 6.12 H new ATOM 0 HH21 ARG A 36 -12.816 -18.856 7.525 1.00 7.56 H new ATOM 0 HH22 ARG A 36 -11.805 -20.103 8.262 1.00 7.56 H new ATOM 606 N ASN A 37 -12.132 -12.951 11.338 1.00 2.45 N ATOM 607 CA ASN A 37 -11.660 -11.990 12.321 1.00 2.46 C ATOM 608 C ASN A 37 -12.830 -11.260 12.961 1.00 2.63 C ATOM 609 O ASN A 37 -13.174 -10.145 12.576 1.00 2.92 O ATOM 610 CB ASN A 37 -10.579 -11.056 11.775 1.00 2.65 C ATOM 611 CG ASN A 37 -9.832 -10.390 12.927 1.00 3.71 C ATOM 612 OD1 ASN A 37 -10.392 -10.137 13.989 1.00 4.73 O ATOM 613 ND2 ASN A 37 -8.535 -10.152 12.791 1.00 4.43 N ATOM 0 H ASN A 37 -11.968 -13.915 11.630 1.00 2.45 H new ATOM 0 HA ASN A 37 -11.159 -12.546 13.113 1.00 2.46 H new ATOM 0 HB2 ASN A 37 -9.881 -11.618 11.155 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -11.031 -10.297 11.137 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -8.004 -9.759 13.568 1.00 4.43 H new ATOM 0 HD22 ASN A 37 -8.068 -10.362 11.909 1.00 4.43 H new ATOM 620 N GLN A 38 -13.432 -11.930 13.946 1.00 2.96 N ATOM 621 CA GLN A 38 -14.665 -11.535 14.603 1.00 3.47 C ATOM 622 C GLN A 38 -14.681 -10.032 14.903 1.00 3.08 C ATOM 623 O GLN A 38 -13.965 -9.561 15.791 1.00 3.51 O ATOM 624 CB GLN A 38 -14.858 -12.401 15.860 1.00 4.55 C ATOM 625 CG GLN A 38 -16.280 -12.334 16.436 1.00 5.21 C ATOM 626 CD GLN A 38 -16.593 -10.972 17.043 1.00 6.16 C ATOM 627 OE1 GLN A 38 -15.966 -10.572 18.020 1.00 6.91 O ATOM 628 NE2 GLN A 38 -17.525 -10.231 16.459 1.00 6.76 N ATOM 0 H GLN A 38 -13.051 -12.800 14.319 1.00 2.96 H new ATOM 0 HA GLN A 38 -15.511 -11.708 13.938 1.00 3.47 H new ATOM 0 HB2 GLN A 38 -14.621 -13.437 15.618 1.00 4.55 H new ATOM 0 HB3 GLN A 38 -14.149 -12.082 16.624 1.00 4.55 H new ATOM 0 HG2 GLN A 38 -17.000 -12.552 15.647 1.00 5.21 H new ATOM 0 HG3 GLN A 38 -16.398 -13.105 17.198 1.00 5.21 H new ATOM 0 HE21 GLN A 38 -18.029 -10.591 15.649 1.00 6.76 H new ATOM 0 HE22 GLN A 38 -17.738 -9.301 16.820 1.00 6.76 H new ATOM 637 N GLY A 39 -15.518 -9.294 14.184 1.00 3.12 N ATOM 638 CA GLY A 39 -15.806 -7.897 14.444 1.00 3.43 C ATOM 639 C GLY A 39 -14.595 -6.980 14.304 1.00 2.96 C ATOM 640 O GLY A 39 -14.557 -5.938 14.963 1.00 2.96 O ATOM 0 H GLY A 39 -16.027 -9.666 13.382 1.00 3.12 H new ATOM 0 HA2 GLY A 39 -16.584 -7.563 13.758 1.00 3.43 H new ATOM 0 HA3 GLY A 39 -16.208 -7.801 15.453 1.00 3.43 H new ATOM 644 N ASP A 40 -13.603 -7.345 13.483 1.00 2.82 N ATOM 645 CA ASP A 40 -12.500 -6.466 13.145 1.00 2.68 C ATOM 646 C ASP A 40 -13.006 -5.278 12.324 1.00 2.58 C ATOM 647 O ASP A 40 -14.176 -5.219 11.943 1.00 3.52 O ATOM 648 CB ASP A 40 -11.346 -7.203 12.448 1.00 2.87 C ATOM 649 CG ASP A 40 -9.983 -6.651 12.846 1.00 2.86 C ATOM 650 OD1 ASP A 40 -9.794 -5.421 12.796 1.00 3.22 O ATOM 651 OD2 ASP A 40 -9.126 -7.455 13.269 1.00 3.36 O ATOM 0 H ASP A 40 -13.551 -8.262 13.039 1.00 2.82 H new ATOM 0 HA ASP A 40 -12.081 -6.085 14.077 1.00 2.68 H new ATOM 0 HB2 ASP A 40 -11.393 -8.263 12.696 1.00 2.87 H new ATOM 0 HB3 ASP A 40 -11.467 -7.123 11.368 1.00 2.87 H new ATOM 656 N LYS A 41 -12.121 -4.326 12.073 1.00 1.99 N ATOM 657 CA LYS A 41 -12.402 -2.951 11.708 1.00 1.77 C ATOM 658 C LYS A 41 -11.052 -2.283 11.466 1.00 1.50 C ATOM 659 O LYS A 41 -10.839 -1.614 10.453 1.00 1.58 O ATOM 660 CB LYS A 41 -13.110 -2.307 12.908 1.00 1.89 C ATOM 661 CG LYS A 41 -13.473 -0.825 12.766 1.00 3.18 C ATOM 662 CD LYS A 41 -13.638 -0.148 14.141 1.00 3.88 C ATOM 663 CE LYS A 41 -14.922 -0.496 14.916 1.00 3.99 C ATOM 664 NZ LYS A 41 -15.125 -1.942 15.141 1.00 4.56 N ATOM 0 H LYS A 41 -11.119 -4.509 12.123 1.00 1.99 H new ATOM 0 HA LYS A 41 -13.028 -2.859 10.821 1.00 1.77 H new ATOM 0 HB2 LYS A 41 -14.025 -2.866 13.106 1.00 1.89 H new ATOM 0 HB3 LYS A 41 -12.471 -2.420 13.784 1.00 1.89 H new ATOM 0 HG2 LYS A 41 -12.697 -0.312 12.198 1.00 3.18 H new ATOM 0 HG3 LYS A 41 -14.399 -0.729 12.199 1.00 3.18 H new ATOM 0 HD2 LYS A 41 -12.781 -0.414 14.760 1.00 3.88 H new ATOM 0 HD3 LYS A 41 -13.605 0.932 13.998 1.00 3.88 H new ATOM 0 HE2 LYS A 41 -14.898 0.010 15.881 1.00 3.99 H new ATOM 0 HE3 LYS A 41 -15.779 -0.101 14.371 1.00 3.99 H new ATOM 0 HZ1 LYS A 41 -15.708 -2.083 15.990 1.00 4.56 H new ATOM 0 HZ2 LYS A 41 -15.606 -2.357 14.318 1.00 4.56 H new ATOM 0 HZ3 LYS A 41 -14.203 -2.405 15.273 1.00 4.56 H new ATOM 678 N GLU A 42 -10.149 -2.473 12.428 1.00 1.36 N ATOM 679 CA GLU A 42 -8.834 -1.943 12.507 1.00 1.27 C ATOM 680 C GLU A 42 -7.958 -2.632 11.473 1.00 1.13 C ATOM 681 O GLU A 42 -7.324 -1.963 10.668 1.00 1.08 O ATOM 682 CB GLU A 42 -8.404 -2.226 13.947 1.00 1.63 C ATOM 683 CG GLU A 42 -7.033 -1.632 14.163 1.00 2.32 C ATOM 684 CD GLU A 42 -6.691 -1.496 15.626 1.00 2.71 C ATOM 685 OE1 GLU A 42 -7.552 -0.980 16.369 1.00 3.28 O ATOM 686 OE2 GLU A 42 -5.578 -1.910 16.005 1.00 3.60 O ATOM 0 H GLU A 42 -10.363 -3.059 13.235 1.00 1.36 H new ATOM 0 HA GLU A 42 -8.762 -0.877 12.290 1.00 1.27 H new ATOM 0 HB2 GLU A 42 -9.119 -1.794 14.648 1.00 1.63 H new ATOM 0 HB3 GLU A 42 -8.385 -3.300 14.133 1.00 1.63 H new ATOM 0 HG2 GLU A 42 -6.287 -2.259 13.675 1.00 2.32 H new ATOM 0 HG3 GLU A 42 -6.985 -0.652 13.689 1.00 2.32 H new ATOM 693 N ALA A 43 -7.933 -3.965 11.455 1.00 1.15 N ATOM 694 CA ALA A 43 -7.237 -4.726 10.449 1.00 1.11 C ATOM 695 C ALA A 43 -7.671 -4.271 9.062 1.00 0.96 C ATOM 696 O ALA A 43 -6.845 -4.112 8.164 1.00 0.92 O ATOM 697 CB ALA A 43 -7.482 -6.225 10.630 1.00 1.27 C ATOM 0 H ALA A 43 -8.405 -4.542 12.152 1.00 1.15 H new ATOM 0 HA ALA A 43 -6.167 -4.550 10.558 1.00 1.11 H new ATOM 0 HB1 ALA A 43 -6.946 -6.777 9.858 1.00 1.27 H new ATOM 0 HB2 ALA A 43 -7.126 -6.536 11.612 1.00 1.27 H new ATOM 0 HB3 ALA A 43 -8.549 -6.432 10.549 1.00 1.27 H new ATOM 703 N GLU A 44 -8.976 -4.051 8.909 1.00 0.98 N ATOM 704 CA GLU A 44 -9.568 -3.579 7.676 1.00 0.96 C ATOM 705 C GLU A 44 -9.049 -2.174 7.357 1.00 0.90 C ATOM 706 O GLU A 44 -8.664 -1.887 6.232 1.00 0.87 O ATOM 707 CB GLU A 44 -11.100 -3.614 7.798 1.00 1.12 C ATOM 708 CG GLU A 44 -11.766 -3.897 6.448 1.00 1.23 C ATOM 709 CD GLU A 44 -11.893 -5.391 6.252 1.00 2.15 C ATOM 710 OE1 GLU A 44 -10.853 -6.039 6.025 1.00 3.57 O ATOM 711 OE2 GLU A 44 -13.024 -5.905 6.387 1.00 2.76 O ATOM 0 H GLU A 44 -9.655 -4.201 9.655 1.00 0.98 H new ATOM 0 HA GLU A 44 -9.284 -4.229 6.849 1.00 0.96 H new ATOM 0 HB2 GLU A 44 -11.391 -4.381 8.516 1.00 1.12 H new ATOM 0 HB3 GLU A 44 -11.457 -2.661 8.188 1.00 1.12 H new ATOM 0 HG2 GLU A 44 -12.750 -3.430 6.411 1.00 1.23 H new ATOM 0 HG3 GLU A 44 -11.176 -3.462 5.641 1.00 1.23 H new ATOM 718 N ALA A 45 -9.040 -1.267 8.329 1.00 0.99 N ATOM 719 CA ALA A 45 -8.588 0.093 8.122 1.00 1.04 C ATOM 720 C ALA A 45 -7.103 0.129 7.772 1.00 0.95 C ATOM 721 O ALA A 45 -6.661 0.893 6.917 1.00 0.97 O ATOM 722 CB ALA A 45 -8.869 0.935 9.363 1.00 1.20 C ATOM 0 H ALA A 45 -9.348 -1.461 9.282 1.00 0.99 H new ATOM 0 HA ALA A 45 -9.139 0.514 7.281 1.00 1.04 H new ATOM 0 HB1 ALA A 45 -8.525 1.956 9.196 1.00 1.20 H new ATOM 0 HB2 ALA A 45 -9.940 0.942 9.563 1.00 1.20 H new ATOM 0 HB3 ALA A 45 -8.343 0.510 10.218 1.00 1.20 H new ATOM 728 N LYS A 46 -6.315 -0.715 8.421 1.00 0.93 N ATOM 729 CA LYS A 46 -4.928 -0.903 8.062 1.00 0.82 C ATOM 730 C LYS A 46 -4.887 -1.437 6.631 1.00 0.67 C ATOM 731 O LYS A 46 -4.094 -0.994 5.810 1.00 0.63 O ATOM 732 CB LYS A 46 -4.292 -1.852 9.079 1.00 0.88 C ATOM 733 CG LYS A 46 -2.811 -2.113 8.796 1.00 0.99 C ATOM 734 CD LYS A 46 -2.205 -2.808 10.019 1.00 1.72 C ATOM 735 CE LYS A 46 -0.880 -3.522 9.733 1.00 3.51 C ATOM 736 NZ LYS A 46 0.152 -2.657 9.138 1.00 4.46 N ATOM 0 H LYS A 46 -6.623 -1.285 9.209 1.00 0.93 H new ATOM 0 HA LYS A 46 -4.357 0.025 8.088 1.00 0.82 H new ATOM 0 HB2 LYS A 46 -4.398 -1.431 10.079 1.00 0.88 H new ATOM 0 HB3 LYS A 46 -4.831 -2.799 9.073 1.00 0.88 H new ATOM 0 HG2 LYS A 46 -2.698 -2.737 7.909 1.00 0.99 H new ATOM 0 HG3 LYS A 46 -2.292 -1.176 8.595 1.00 0.99 H new ATOM 0 HD2 LYS A 46 -2.046 -2.068 10.804 1.00 1.72 H new ATOM 0 HD3 LYS A 46 -2.921 -3.533 10.405 1.00 1.72 H new ATOM 0 HE2 LYS A 46 -0.496 -3.940 10.664 1.00 3.51 H new ATOM 0 HE3 LYS A 46 -1.068 -4.360 9.061 1.00 3.51 H new ATOM 0 HZ1 LYS A 46 1.017 -3.211 8.974 1.00 4.46 H new ATOM 0 HZ2 LYS A 46 -0.193 -2.277 8.233 1.00 4.46 H new ATOM 0 HZ3 LYS A 46 0.362 -1.871 9.786 1.00 4.46 H new ATOM 750 N PHE A 47 -5.778 -2.368 6.307 1.00 0.71 N ATOM 751 CA PHE A 47 -5.868 -2.871 4.950 1.00 0.68 C ATOM 752 C PHE A 47 -6.146 -1.717 3.988 1.00 0.70 C ATOM 753 O PHE A 47 -5.624 -1.721 2.878 1.00 0.67 O ATOM 754 CB PHE A 47 -6.892 -4.005 4.812 1.00 0.83 C ATOM 755 CG PHE A 47 -6.666 -4.827 3.566 1.00 0.89 C ATOM 756 CD1 PHE A 47 -5.688 -5.833 3.561 1.00 2.27 C ATOM 757 CD2 PHE A 47 -7.339 -4.503 2.378 1.00 1.89 C ATOM 758 CE1 PHE A 47 -5.470 -6.583 2.396 1.00 2.62 C ATOM 759 CE2 PHE A 47 -7.044 -5.186 1.188 1.00 1.94 C ATOM 760 CZ PHE A 47 -6.117 -6.240 1.199 1.00 1.66 C ATOM 0 H PHE A 47 -6.440 -2.784 6.962 1.00 0.71 H new ATOM 0 HA PHE A 47 -4.908 -3.314 4.686 1.00 0.68 H new ATOM 0 HB2 PHE A 47 -6.836 -4.652 5.687 1.00 0.83 H new ATOM 0 HB3 PHE A 47 -7.897 -3.584 4.791 1.00 0.83 H new ATOM 0 HD1 PHE A 47 -5.106 -6.029 4.450 1.00 2.27 H new ATOM 0 HD2 PHE A 47 -8.087 -3.724 2.379 1.00 1.89 H new ATOM 0 HE1 PHE A 47 -4.800 -7.430 2.420 1.00 2.62 H new ATOM 0 HE2 PHE A 47 -7.529 -4.901 0.266 1.00 1.94 H new ATOM 0 HZ PHE A 47 -5.903 -6.784 0.291 1.00 1.66 H new ATOM 770 N LYS A 48 -6.916 -0.711 4.414 1.00 0.85 N ATOM 771 CA LYS A 48 -7.160 0.453 3.587 1.00 1.01 C ATOM 772 C LYS A 48 -5.866 1.205 3.338 1.00 0.98 C ATOM 773 O LYS A 48 -5.605 1.535 2.189 1.00 1.04 O ATOM 774 CB LYS A 48 -8.225 1.401 4.147 1.00 1.23 C ATOM 775 CG LYS A 48 -9.583 0.713 4.164 1.00 1.34 C ATOM 776 CD LYS A 48 -10.605 1.598 4.884 1.00 1.60 C ATOM 777 CE LYS A 48 -12.015 1.001 4.833 1.00 1.63 C ATOM 778 NZ LYS A 48 -12.120 -0.344 5.434 1.00 2.57 N ATOM 0 H LYS A 48 -7.375 -0.688 5.325 1.00 0.85 H new ATOM 0 HA LYS A 48 -7.557 0.074 2.645 1.00 1.01 H new ATOM 0 HB2 LYS A 48 -7.953 1.710 5.156 1.00 1.23 H new ATOM 0 HB3 LYS A 48 -8.274 2.304 3.539 1.00 1.23 H new ATOM 0 HG2 LYS A 48 -9.914 0.516 3.144 1.00 1.34 H new ATOM 0 HG3 LYS A 48 -9.506 -0.251 4.666 1.00 1.34 H new ATOM 0 HD2 LYS A 48 -10.304 1.729 5.923 1.00 1.60 H new ATOM 0 HD3 LYS A 48 -10.613 2.588 4.428 1.00 1.60 H new ATOM 0 HE2 LYS A 48 -12.702 1.673 5.348 1.00 1.63 H new ATOM 0 HE3 LYS A 48 -12.339 0.950 3.794 1.00 1.63 H new ATOM 0 HZ1 LYS A 48 -13.105 -0.674 5.377 1.00 2.57 H new ATOM 0 HZ2 LYS A 48 -11.504 -1.004 4.918 1.00 2.57 H new ATOM 0 HZ3 LYS A 48 -11.826 -0.303 6.431 1.00 2.57 H new ATOM 792 N GLU A 49 -5.068 1.492 4.371 1.00 0.94 N ATOM 793 CA GLU A 49 -3.890 2.311 4.176 1.00 0.96 C ATOM 794 C GLU A 49 -2.881 1.546 3.306 1.00 0.93 C ATOM 795 O GLU A 49 -2.322 2.099 2.361 1.00 1.01 O ATOM 796 CB GLU A 49 -3.377 2.848 5.528 1.00 1.02 C ATOM 797 CG GLU A 49 -2.591 1.858 6.386 1.00 2.06 C ATOM 798 CD GLU A 49 -2.136 2.438 7.710 1.00 2.03 C ATOM 799 OE1 GLU A 49 -3.008 2.839 8.507 1.00 2.33 O ATOM 800 OE2 GLU A 49 -0.924 2.411 8.010 1.00 2.96 O ATOM 0 H GLU A 49 -5.219 1.173 5.328 1.00 0.94 H new ATOM 0 HA GLU A 49 -4.113 3.217 3.613 1.00 0.96 H new ATOM 0 HB2 GLU A 49 -2.744 3.714 5.336 1.00 1.02 H new ATOM 0 HB3 GLU A 49 -4.232 3.200 6.105 1.00 1.02 H new ATOM 0 HG2 GLU A 49 -3.210 0.981 6.576 1.00 2.06 H new ATOM 0 HG3 GLU A 49 -1.719 1.518 5.828 1.00 2.06 H new ATOM 807 N ILE A 50 -2.682 0.253 3.586 1.00 0.83 N ATOM 808 CA ILE A 50 -1.809 -0.597 2.791 1.00 0.75 C ATOM 809 C ILE A 50 -2.332 -0.651 1.348 1.00 0.79 C ATOM 810 O ILE A 50 -1.542 -0.514 0.411 1.00 0.83 O ATOM 811 CB ILE A 50 -1.689 -2.005 3.413 1.00 0.64 C ATOM 812 CG1 ILE A 50 -1.256 -1.998 4.887 1.00 0.68 C ATOM 813 CG2 ILE A 50 -0.687 -2.905 2.661 1.00 0.70 C ATOM 814 CD1 ILE A 50 -1.516 -3.372 5.504 1.00 0.68 C ATOM 0 H ILE A 50 -3.124 -0.227 4.370 1.00 0.83 H new ATOM 0 HA ILE A 50 -0.804 -0.174 2.780 1.00 0.75 H new ATOM 0 HB ILE A 50 -2.702 -2.400 3.331 1.00 0.64 H new ATOM 0 HG12 ILE A 50 -0.198 -1.748 4.965 1.00 0.68 H new ATOM 0 HG13 ILE A 50 -1.806 -1.232 5.434 1.00 0.68 H new ATOM 0 HG21 ILE A 50 -0.643 -3.882 3.142 1.00 0.70 H new ATOM 0 HG22 ILE A 50 -1.010 -3.024 1.627 1.00 0.70 H new ATOM 0 HG23 ILE A 50 0.301 -2.446 2.682 1.00 0.70 H new ATOM 0 HD11 ILE A 50 -1.208 -3.365 6.550 1.00 0.68 H new ATOM 0 HD12 ILE A 50 -2.579 -3.604 5.440 1.00 0.68 H new ATOM 0 HD13 ILE A 50 -0.946 -4.128 4.963 1.00 0.68 H new ATOM 826 N LYS A 51 -3.639 -0.857 1.141 1.00 0.81 N ATOM 827 CA LYS A 51 -4.158 -0.977 -0.207 1.00 0.92 C ATOM 828 C LYS A 51 -3.991 0.345 -0.923 1.00 0.99 C ATOM 829 O LYS A 51 -3.513 0.342 -2.046 1.00 1.15 O ATOM 830 CB LYS A 51 -5.628 -1.408 -0.261 1.00 0.97 C ATOM 831 CG LYS A 51 -6.008 -1.648 -1.737 1.00 1.31 C ATOM 832 CD LYS A 51 -7.459 -2.100 -1.907 1.00 1.81 C ATOM 833 CE LYS A 51 -7.752 -2.509 -3.357 1.00 2.47 C ATOM 834 NZ LYS A 51 -7.865 -1.370 -4.291 1.00 2.61 N ATOM 0 H LYS A 51 -4.336 -0.941 1.881 1.00 0.81 H new ATOM 0 HA LYS A 51 -3.586 -1.764 -0.698 1.00 0.92 H new ATOM 0 HB2 LYS A 51 -5.779 -2.316 0.323 1.00 0.97 H new ATOM 0 HB3 LYS A 51 -6.266 -0.639 0.175 1.00 0.97 H new ATOM 0 HG2 LYS A 51 -5.849 -0.730 -2.303 1.00 1.31 H new ATOM 0 HG3 LYS A 51 -5.345 -2.402 -2.161 1.00 1.31 H new ATOM 0 HD2 LYS A 51 -7.660 -2.940 -1.243 1.00 1.81 H new ATOM 0 HD3 LYS A 51 -8.130 -1.293 -1.612 1.00 1.81 H new ATOM 0 HE2 LYS A 51 -6.960 -3.173 -3.704 1.00 2.47 H new ATOM 0 HE3 LYS A 51 -8.680 -3.080 -3.382 1.00 2.47 H new ATOM 0 HZ1 LYS A 51 -7.419 -1.619 -5.197 1.00 2.61 H new ATOM 0 HZ2 LYS A 51 -8.869 -1.148 -4.448 1.00 2.61 H new ATOM 0 HZ3 LYS A 51 -7.387 -0.540 -3.886 1.00 2.61 H new ATOM 848 N GLU A 52 -4.434 1.445 -0.315 1.00 0.90 N ATOM 849 CA GLU A 52 -4.380 2.755 -0.927 1.00 0.99 C ATOM 850 C GLU A 52 -2.936 3.003 -1.341 1.00 0.96 C ATOM 851 O GLU A 52 -2.683 3.305 -2.500 1.00 1.00 O ATOM 852 CB GLU A 52 -4.953 3.840 0.004 1.00 1.07 C ATOM 853 CG GLU A 52 -5.201 5.134 -0.788 1.00 1.29 C ATOM 854 CD GLU A 52 -5.853 6.229 0.030 1.00 1.68 C ATOM 855 OE1 GLU A 52 -6.828 5.909 0.744 1.00 2.18 O ATOM 856 OE2 GLU A 52 -5.451 7.400 -0.141 1.00 2.69 O ATOM 0 H GLU A 52 -4.841 1.443 0.620 1.00 0.90 H new ATOM 0 HA GLU A 52 -5.013 2.800 -1.814 1.00 0.99 H new ATOM 0 HB2 GLU A 52 -5.885 3.493 0.451 1.00 1.07 H new ATOM 0 HB3 GLU A 52 -4.259 4.032 0.823 1.00 1.07 H new ATOM 0 HG2 GLU A 52 -4.251 5.500 -1.178 1.00 1.29 H new ATOM 0 HG3 GLU A 52 -5.832 4.909 -1.647 1.00 1.29 H new ATOM 863 N ALA A 53 -1.984 2.785 -0.433 1.00 0.93 N ATOM 864 CA ALA A 53 -0.575 2.865 -0.773 1.00 0.96 C ATOM 865 C ALA A 53 -0.264 2.046 -2.028 1.00 0.93 C ATOM 866 O ALA A 53 0.226 2.581 -3.014 1.00 0.97 O ATOM 867 CB ALA A 53 0.290 2.430 0.409 1.00 1.01 C ATOM 0 H ALA A 53 -2.170 2.552 0.542 1.00 0.93 H new ATOM 0 HA ALA A 53 -0.336 3.905 -0.996 1.00 0.96 H new ATOM 0 HB1 ALA A 53 1.343 2.497 0.134 1.00 1.01 H new ATOM 0 HB2 ALA A 53 0.096 3.081 1.261 1.00 1.01 H new ATOM 0 HB3 ALA A 53 0.050 1.401 0.676 1.00 1.01 H new ATOM 873 N TYR A 54 -0.570 0.752 -2.030 1.00 0.93 N ATOM 874 CA TYR A 54 -0.298 -0.095 -3.182 1.00 1.00 C ATOM 875 C TYR A 54 -0.908 0.483 -4.467 1.00 1.06 C ATOM 876 O TYR A 54 -0.243 0.582 -5.497 1.00 1.25 O ATOM 877 CB TYR A 54 -0.842 -1.500 -2.896 1.00 0.99 C ATOM 878 CG TYR A 54 -0.994 -2.368 -4.124 1.00 0.83 C ATOM 879 CD1 TYR A 54 0.144 -2.948 -4.706 1.00 2.00 C ATOM 880 CD2 TYR A 54 -2.220 -2.379 -4.817 1.00 1.74 C ATOM 881 CE1 TYR A 54 0.068 -3.486 -6.000 1.00 2.03 C ATOM 882 CE2 TYR A 54 -2.266 -2.818 -6.150 1.00 2.08 C ATOM 883 CZ TYR A 54 -1.108 -3.330 -6.753 1.00 1.47 C ATOM 884 OH TYR A 54 -1.108 -3.663 -8.072 1.00 2.11 O ATOM 0 H TYR A 54 -1.007 0.269 -1.245 1.00 0.93 H new ATOM 0 HA TYR A 54 0.779 -0.143 -3.344 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -0.176 -1.999 -2.192 1.00 0.99 H new ATOM 0 HB3 TYR A 54 -1.812 -1.409 -2.407 1.00 0.99 H new ATOM 0 HD1 TYR A 54 1.075 -2.980 -4.160 1.00 2.00 H new ATOM 0 HD2 TYR A 54 -3.123 -2.050 -4.324 1.00 1.74 H new ATOM 0 HE1 TYR A 54 0.911 -4.018 -6.416 1.00 2.03 H new ATOM 0 HE2 TYR A 54 -3.189 -2.762 -6.708 1.00 2.08 H new ATOM 0 HH TYR A 54 -1.997 -3.498 -8.451 1.00 2.11 H new ATOM 894 N GLU A 55 -2.194 0.800 -4.416 1.00 1.01 N ATOM 895 CA GLU A 55 -3.059 1.168 -5.494 1.00 1.09 C ATOM 896 C GLU A 55 -2.545 2.464 -6.117 1.00 1.02 C ATOM 897 O GLU A 55 -2.425 2.557 -7.337 1.00 1.23 O ATOM 898 CB GLU A 55 -4.440 1.226 -4.842 1.00 1.25 C ATOM 899 CG GLU A 55 -5.430 2.107 -5.551 1.00 1.40 C ATOM 900 CD GLU A 55 -6.817 1.998 -4.955 1.00 1.81 C ATOM 901 OE1 GLU A 55 -7.054 1.096 -4.121 1.00 3.40 O ATOM 902 OE2 GLU A 55 -7.682 2.798 -5.363 1.00 1.63 O ATOM 0 H GLU A 55 -2.692 0.802 -3.526 1.00 1.01 H new ATOM 0 HA GLU A 55 -3.100 0.480 -6.338 1.00 1.09 H new ATOM 0 HB2 GLU A 55 -4.845 0.215 -4.789 1.00 1.25 H new ATOM 0 HB3 GLU A 55 -4.329 1.579 -3.817 1.00 1.25 H new ATOM 0 HG2 GLU A 55 -5.094 3.143 -5.500 1.00 1.40 H new ATOM 0 HG3 GLU A 55 -5.467 1.835 -6.606 1.00 1.40 H new ATOM 909 N VAL A 56 -2.180 3.418 -5.269 1.00 0.86 N ATOM 910 CA VAL A 56 -1.598 4.695 -5.638 1.00 0.88 C ATOM 911 C VAL A 56 -0.267 4.392 -6.314 1.00 0.90 C ATOM 912 O VAL A 56 -0.021 4.774 -7.447 1.00 1.14 O ATOM 913 CB VAL A 56 -1.390 5.496 -4.341 1.00 0.90 C ATOM 914 CG1 VAL A 56 -0.438 6.695 -4.438 1.00 0.99 C ATOM 915 CG2 VAL A 56 -2.752 6.011 -3.883 1.00 1.01 C ATOM 0 H VAL A 56 -2.288 3.314 -4.260 1.00 0.86 H new ATOM 0 HA VAL A 56 -2.227 5.273 -6.315 1.00 0.88 H new ATOM 0 HB VAL A 56 -0.920 4.805 -3.641 1.00 0.90 H new ATOM 0 HG11 VAL A 56 -0.368 7.184 -3.466 1.00 0.99 H new ATOM 0 HG12 VAL A 56 0.550 6.351 -4.743 1.00 0.99 H new ATOM 0 HG13 VAL A 56 -0.819 7.403 -5.174 1.00 0.99 H new ATOM 0 HG21 VAL A 56 -2.634 6.584 -2.963 1.00 1.01 H new ATOM 0 HG22 VAL A 56 -3.178 6.650 -4.656 1.00 1.01 H new ATOM 0 HG23 VAL A 56 -3.418 5.167 -3.702 1.00 1.01 H new ATOM 925 N LEU A 57 0.617 3.665 -5.635 1.00 0.86 N ATOM 926 CA LEU A 57 1.969 3.484 -6.127 1.00 0.97 C ATOM 927 C LEU A 57 2.016 2.770 -7.472 1.00 1.16 C ATOM 928 O LEU A 57 2.878 3.087 -8.297 1.00 1.99 O ATOM 929 CB LEU A 57 2.828 2.808 -5.057 1.00 0.98 C ATOM 930 CG LEU A 57 3.003 3.714 -3.826 1.00 0.96 C ATOM 931 CD1 LEU A 57 3.899 3.020 -2.801 1.00 1.10 C ATOM 932 CD2 LEU A 57 3.532 5.088 -4.229 1.00 1.01 C ATOM 0 H LEU A 57 0.418 3.197 -4.750 1.00 0.86 H new ATOM 0 HA LEU A 57 2.395 4.468 -6.322 1.00 0.97 H new ATOM 0 HB2 LEU A 57 2.365 1.868 -4.756 1.00 0.98 H new ATOM 0 HB3 LEU A 57 3.805 2.563 -5.473 1.00 0.98 H new ATOM 0 HG LEU A 57 2.032 3.883 -3.360 1.00 0.96 H new ATOM 0 HD11 LEU A 57 4.022 3.664 -1.930 1.00 1.10 H new ATOM 0 HD12 LEU A 57 3.441 2.079 -2.495 1.00 1.10 H new ATOM 0 HD13 LEU A 57 4.874 2.821 -3.245 1.00 1.10 H new ATOM 0 HD21 LEU A 57 3.647 5.709 -3.340 1.00 1.01 H new ATOM 0 HD22 LEU A 57 4.498 4.976 -4.721 1.00 1.01 H new ATOM 0 HD23 LEU A 57 2.829 5.562 -4.914 1.00 1.01 H new ATOM 944 N THR A 58 1.095 1.840 -7.712 1.00 1.22 N ATOM 945 CA THR A 58 0.982 1.163 -8.994 1.00 1.32 C ATOM 946 C THR A 58 0.088 1.924 -9.989 1.00 1.70 C ATOM 947 O THR A 58 -0.159 1.416 -11.088 1.00 1.85 O ATOM 948 CB THR A 58 0.537 -0.286 -8.755 1.00 1.64 C ATOM 949 OG1 THR A 58 -0.697 -0.348 -8.066 1.00 2.19 O ATOM 950 CG2 THR A 58 1.585 -1.028 -7.921 1.00 1.74 C ATOM 0 H THR A 58 0.408 1.537 -7.021 1.00 1.22 H new ATOM 0 HA THR A 58 1.960 1.144 -9.476 1.00 1.32 H new ATOM 0 HB THR A 58 0.423 -0.751 -9.734 1.00 1.64 H new ATOM 0 HG1 THR A 58 -0.555 -0.134 -7.120 1.00 2.19 H new ATOM 0 HG21 THR A 58 1.259 -2.055 -7.757 1.00 1.74 H new ATOM 0 HG22 THR A 58 2.537 -1.030 -8.451 1.00 1.74 H new ATOM 0 HG23 THR A 58 1.706 -0.528 -6.960 1.00 1.74 H new ATOM 958 N ASP A 59 -0.373 3.132 -9.646 1.00 2.17 N ATOM 959 CA ASP A 59 -1.063 4.032 -10.572 1.00 2.73 C ATOM 960 C ASP A 59 -0.008 4.758 -11.410 1.00 2.16 C ATOM 961 O ASP A 59 1.180 4.440 -11.333 1.00 2.51 O ATOM 962 CB ASP A 59 -1.964 5.038 -9.829 1.00 3.89 C ATOM 963 CG ASP A 59 -3.059 5.606 -10.713 1.00 4.58 C ATOM 964 OD1 ASP A 59 -4.135 4.976 -10.785 1.00 5.42 O ATOM 965 OD2 ASP A 59 -2.818 6.641 -11.366 1.00 4.80 O ATOM 0 H ASP A 59 -0.275 3.515 -8.706 1.00 2.17 H new ATOM 0 HA ASP A 59 -1.719 3.448 -11.218 1.00 2.73 H new ATOM 0 HB2 ASP A 59 -2.416 4.547 -8.967 1.00 3.89 H new ATOM 0 HB3 ASP A 59 -1.352 5.854 -9.446 1.00 3.89 H new ATOM 970 N SER A 60 -0.428 5.719 -12.222 1.00 2.57 N ATOM 971 CA SER A 60 0.434 6.675 -12.887 1.00 3.04 C ATOM 972 C SER A 60 0.124 8.076 -12.349 1.00 2.78 C ATOM 973 O SER A 60 1.016 8.774 -11.863 1.00 3.03 O ATOM 974 CB SER A 60 0.194 6.582 -14.395 1.00 4.26 C ATOM 975 OG SER A 60 0.452 5.271 -14.861 1.00 5.22 O ATOM 0 H SER A 60 -1.415 5.855 -12.441 1.00 2.57 H new ATOM 0 HA SER A 60 1.485 6.462 -12.693 1.00 3.04 H new ATOM 0 HB2 SER A 60 -0.836 6.858 -14.622 1.00 4.26 H new ATOM 0 HB3 SER A 60 0.837 7.292 -14.915 1.00 4.26 H new ATOM 0 HG SER A 60 0.292 5.230 -15.827 1.00 5.22 H new ATOM 981 N GLN A 61 -1.130 8.510 -12.457 1.00 2.82 N ATOM 982 CA GLN A 61 -1.563 9.831 -12.102 1.00 3.03 C ATOM 983 C GLN A 61 -1.693 9.951 -10.595 1.00 2.64 C ATOM 984 O GLN A 61 -1.152 10.887 -10.002 1.00 2.82 O ATOM 985 CB GLN A 61 -2.908 10.050 -12.777 1.00 3.78 C ATOM 986 CG GLN A 61 -3.442 11.420 -12.383 1.00 4.22 C ATOM 987 CD GLN A 61 -4.488 11.404 -11.269 1.00 5.10 C ATOM 988 OE1 GLN A 61 -5.076 10.371 -10.961 1.00 5.88 O ATOM 989 NE2 GLN A 61 -4.751 12.547 -10.654 1.00 5.88 N ATOM 0 H GLN A 61 -1.886 7.921 -12.807 1.00 2.82 H new ATOM 0 HA GLN A 61 -0.843 10.582 -12.427 1.00 3.03 H new ATOM 0 HB2 GLN A 61 -2.801 9.985 -13.860 1.00 3.78 H new ATOM 0 HB3 GLN A 61 -3.610 9.272 -12.478 1.00 3.78 H new ATOM 0 HG2 GLN A 61 -2.605 12.044 -12.068 1.00 4.22 H new ATOM 0 HG3 GLN A 61 -3.877 11.892 -13.264 1.00 4.22 H new ATOM 0 HE21 GLN A 61 -4.254 13.396 -10.922 1.00 5.88 H new ATOM 0 HE22 GLN A 61 -5.451 12.578 -9.913 1.00 5.88 H new ATOM 998 N LYS A 62 -2.382 8.998 -9.969 1.00 2.55 N ATOM 999 CA LYS A 62 -2.447 8.876 -8.521 1.00 2.47 C ATOM 1000 C LYS A 62 -1.127 8.273 -8.044 1.00 2.37 C ATOM 1001 O LYS A 62 -1.098 7.329 -7.272 1.00 3.67 O ATOM 1002 CB LYS A 62 -3.678 8.033 -8.123 1.00 2.95 C ATOM 1003 CG LYS A 62 -4.770 8.851 -7.423 1.00 3.06 C ATOM 1004 CD LYS A 62 -4.647 8.776 -5.895 1.00 3.02 C ATOM 1005 CE LYS A 62 -3.339 9.379 -5.357 1.00 4.16 C ATOM 1006 NZ LYS A 62 -3.255 9.332 -3.884 1.00 5.58 N ATOM 0 H LYS A 62 -2.916 8.283 -10.463 1.00 2.55 H new ATOM 0 HA LYS A 62 -2.573 9.846 -8.039 1.00 2.47 H new ATOM 0 HB2 LYS A 62 -4.097 7.569 -9.016 1.00 2.95 H new ATOM 0 HB3 LYS A 62 -3.359 7.225 -7.464 1.00 2.95 H new ATOM 0 HG2 LYS A 62 -4.706 9.891 -7.742 1.00 3.06 H new ATOM 0 HG3 LYS A 62 -5.750 8.484 -7.727 1.00 3.06 H new ATOM 0 HD2 LYS A 62 -5.491 9.298 -5.444 1.00 3.02 H new ATOM 0 HD3 LYS A 62 -4.713 7.734 -5.583 1.00 3.02 H new ATOM 0 HE2 LYS A 62 -2.493 8.840 -5.783 1.00 4.16 H new ATOM 0 HE3 LYS A 62 -3.257 10.414 -5.689 1.00 4.16 H new ATOM 0 HZ1 LYS A 62 -2.257 9.287 -3.594 1.00 5.58 H new ATOM 0 HZ2 LYS A 62 -3.693 10.186 -3.484 1.00 5.58 H new ATOM 0 HZ3 LYS A 62 -3.755 8.490 -3.534 1.00 5.58 H new ATOM 1020 N ARG A 63 -0.026 8.854 -8.489 1.00 1.60 N ATOM 1021 CA ARG A 63 1.309 8.550 -8.045 1.00 1.50 C ATOM 1022 C ARG A 63 2.086 9.809 -8.364 1.00 1.53 C ATOM 1023 O ARG A 63 2.405 10.575 -7.468 1.00 2.23 O ATOM 1024 CB ARG A 63 1.867 7.321 -8.775 1.00 1.91 C ATOM 1025 CG ARG A 63 3.385 7.186 -8.616 1.00 2.35 C ATOM 1026 CD ARG A 63 3.788 7.250 -7.137 1.00 2.35 C ATOM 1027 NE ARG A 63 5.235 7.141 -6.955 1.00 2.90 N ATOM 1028 CZ ARG A 63 5.972 6.041 -7.110 1.00 3.39 C ATOM 1029 NH1 ARG A 63 5.378 4.889 -7.423 1.00 4.06 N ATOM 1030 NH2 ARG A 63 7.290 6.132 -6.958 1.00 4.28 N ATOM 0 H ARG A 63 -0.048 9.583 -9.202 1.00 1.60 H new ATOM 0 HA ARG A 63 1.363 8.293 -6.987 1.00 1.50 H new ATOM 0 HB2 ARG A 63 1.383 6.423 -8.391 1.00 1.91 H new ATOM 0 HB3 ARG A 63 1.620 7.388 -9.835 1.00 1.91 H new ATOM 0 HG2 ARG A 63 3.717 6.242 -9.047 1.00 2.35 H new ATOM 0 HG3 ARG A 63 3.885 7.982 -9.168 1.00 2.35 H new ATOM 0 HD2 ARG A 63 3.439 8.189 -6.707 1.00 2.35 H new ATOM 0 HD3 ARG A 63 3.293 6.446 -6.592 1.00 2.35 H new ATOM 0 HE ARG A 63 5.729 7.991 -6.683 1.00 2.90 H new ATOM 0 HH11 ARG A 63 4.366 4.853 -7.542 1.00 4.06 H new ATOM 0 HH12 ARG A 63 5.936 4.044 -7.543 1.00 4.06 H new ATOM 0 HH21 ARG A 63 7.716 7.030 -6.728 1.00 4.28 H new ATOM 0 HH22 ARG A 63 7.875 5.304 -7.072 1.00 4.28 H new ATOM 1044 N ALA A 64 2.329 10.054 -9.653 1.00 1.73 N ATOM 1045 CA ALA A 64 3.308 11.024 -10.116 1.00 1.78 C ATOM 1046 C ALA A 64 3.071 12.406 -9.523 1.00 1.38 C ATOM 1047 O ALA A 64 4.023 13.141 -9.259 1.00 1.39 O ATOM 1048 CB ALA A 64 3.321 11.061 -11.644 1.00 2.38 C ATOM 0 H ALA A 64 1.842 9.575 -10.410 1.00 1.73 H new ATOM 0 HA ALA A 64 4.291 10.707 -9.767 1.00 1.78 H new ATOM 0 HB1 ALA A 64 4.057 11.790 -11.984 1.00 2.38 H new ATOM 0 HB2 ALA A 64 3.582 10.075 -12.030 1.00 2.38 H new ATOM 0 HB3 ALA A 64 2.334 11.344 -12.010 1.00 2.38 H new ATOM 1054 N ALA A 65 1.802 12.733 -9.282 1.00 1.33 N ATOM 1055 CA ALA A 65 1.420 13.929 -8.574 1.00 1.34 C ATOM 1056 C ALA A 65 2.138 13.990 -7.227 1.00 1.29 C ATOM 1057 O ALA A 65 2.985 14.850 -7.001 1.00 1.48 O ATOM 1058 CB ALA A 65 -0.106 13.951 -8.416 1.00 1.79 C ATOM 0 H ALA A 65 1.011 12.162 -9.580 1.00 1.33 H new ATOM 0 HA ALA A 65 1.716 14.814 -9.137 1.00 1.34 H new ATOM 0 HB1 ALA A 65 -0.403 14.853 -7.881 1.00 1.79 H new ATOM 0 HB2 ALA A 65 -0.574 13.942 -9.400 1.00 1.79 H new ATOM 0 HB3 ALA A 65 -0.426 13.074 -7.854 1.00 1.79 H new ATOM 1064 N TYR A 66 1.819 13.071 -6.323 1.00 1.41 N ATOM 1065 CA TYR A 66 2.391 13.101 -4.990 1.00 1.82 C ATOM 1066 C TYR A 66 3.875 12.720 -5.011 1.00 2.18 C ATOM 1067 O TYR A 66 4.618 13.168 -4.140 1.00 2.75 O ATOM 1068 CB TYR A 66 1.563 12.246 -4.021 1.00 2.19 C ATOM 1069 CG TYR A 66 0.408 12.957 -3.326 1.00 3.70 C ATOM 1070 CD1 TYR A 66 -0.308 13.990 -3.963 1.00 4.75 C ATOM 1071 CD2 TYR A 66 0.094 12.621 -1.994 1.00 4.76 C ATOM 1072 CE1 TYR A 66 -1.302 14.698 -3.264 1.00 6.32 C ATOM 1073 CE2 TYR A 66 -0.926 13.306 -1.311 1.00 6.25 C ATOM 1074 CZ TYR A 66 -1.622 14.348 -1.944 1.00 6.90 C ATOM 1075 OH TYR A 66 -2.635 14.980 -1.281 1.00 8.51 O ATOM 0 H TYR A 66 1.171 12.302 -6.491 1.00 1.41 H new ATOM 0 HA TYR A 66 2.348 14.124 -4.617 1.00 1.82 H new ATOM 0 HB2 TYR A 66 1.162 11.394 -4.570 1.00 2.19 H new ATOM 0 HB3 TYR A 66 2.231 11.847 -3.257 1.00 2.19 H new ATOM 0 HD1 TYR A 66 -0.093 14.239 -4.992 1.00 4.75 H new ATOM 0 HD2 TYR A 66 0.640 11.833 -1.495 1.00 4.76 H new ATOM 0 HE1 TYR A 66 -1.821 15.514 -3.745 1.00 6.32 H new ATOM 0 HE2 TYR A 66 -1.175 13.030 -0.297 1.00 6.25 H new ATOM 0 HH TYR A 66 -2.717 14.609 -0.378 1.00 8.51 H new ATOM 1085 N ASP A 67 4.312 11.955 -6.013 1.00 2.15 N ATOM 1086 CA ASP A 67 5.703 11.579 -6.203 1.00 2.80 C ATOM 1087 C ASP A 67 6.543 12.824 -6.467 1.00 2.87 C ATOM 1088 O ASP A 67 7.689 12.904 -6.030 1.00 3.63 O ATOM 1089 CB ASP A 67 5.800 10.612 -7.387 1.00 2.97 C ATOM 1090 CG ASP A 67 7.108 9.857 -7.444 1.00 3.71 C ATOM 1091 OD1 ASP A 67 7.275 8.904 -6.652 1.00 4.62 O ATOM 1092 OD2 ASP A 67 7.906 10.140 -8.355 1.00 4.09 O ATOM 0 H ASP A 67 3.691 11.574 -6.727 1.00 2.15 H new ATOM 0 HA ASP A 67 6.081 11.090 -5.305 1.00 2.80 H new ATOM 0 HB2 ASP A 67 4.979 9.897 -7.330 1.00 2.97 H new ATOM 0 HB3 ASP A 67 5.672 11.171 -8.314 1.00 2.97 H new ATOM 1097 N GLN A 68 5.978 13.804 -7.182 1.00 2.26 N ATOM 1098 CA GLN A 68 6.633 15.060 -7.449 1.00 2.51 C ATOM 1099 C GLN A 68 6.928 15.740 -6.114 1.00 3.22 C ATOM 1100 O GLN A 68 8.085 15.967 -5.762 1.00 4.10 O ATOM 1101 CB GLN A 68 5.717 15.928 -8.329 1.00 2.06 C ATOM 1102 CG GLN A 68 6.450 17.182 -8.809 1.00 2.45 C ATOM 1103 CD GLN A 68 5.486 18.289 -9.209 1.00 3.07 C ATOM 1104 OE1 GLN A 68 4.309 18.042 -9.435 1.00 3.72 O ATOM 1105 NE2 GLN A 68 5.936 19.531 -9.253 1.00 4.18 N ATOM 0 H GLN A 68 5.045 13.733 -7.589 1.00 2.26 H new ATOM 0 HA GLN A 68 7.571 14.909 -7.983 1.00 2.51 H new ATOM 0 HB2 GLN A 68 5.377 15.350 -9.188 1.00 2.06 H new ATOM 0 HB3 GLN A 68 4.829 16.214 -7.765 1.00 2.06 H new ATOM 0 HG2 GLN A 68 7.108 17.542 -8.018 1.00 2.45 H new ATOM 0 HG3 GLN A 68 7.083 16.928 -9.659 1.00 2.45 H new ATOM 0 HE21 GLN A 68 6.919 19.724 -9.063 1.00 4.18 H new ATOM 0 HE22 GLN A 68 5.300 20.296 -9.477 1.00 4.18 H new ATOM 1114 N TYR A 69 5.875 16.121 -5.393 1.00 3.13 N ATOM 1115 CA TYR A 69 6.003 17.036 -4.262 1.00 4.00 C ATOM 1116 C TYR A 69 4.765 16.982 -3.368 1.00 4.03 C ATOM 1117 O TYR A 69 4.347 17.989 -2.784 1.00 4.70 O ATOM 1118 CB TYR A 69 6.270 18.459 -4.792 1.00 4.42 C ATOM 1119 CG TYR A 69 7.229 19.292 -3.960 1.00 5.52 C ATOM 1120 CD1 TYR A 69 8.558 18.864 -3.780 1.00 6.65 C ATOM 1121 CD2 TYR A 69 6.852 20.571 -3.512 1.00 6.13 C ATOM 1122 CE1 TYR A 69 9.491 19.694 -3.136 1.00 7.87 C ATOM 1123 CE2 TYR A 69 7.784 21.399 -2.868 1.00 7.46 C ATOM 1124 CZ TYR A 69 9.109 20.970 -2.701 1.00 8.14 C ATOM 1125 OH TYR A 69 10.010 21.761 -2.055 1.00 9.55 O ATOM 0 H TYR A 69 4.921 15.809 -5.573 1.00 3.13 H new ATOM 0 HA TYR A 69 6.846 16.732 -3.642 1.00 4.00 H new ATOM 0 HB2 TYR A 69 6.665 18.383 -5.805 1.00 4.42 H new ATOM 0 HB3 TYR A 69 5.319 18.988 -4.859 1.00 4.42 H new ATOM 0 HD1 TYR A 69 8.862 17.892 -4.139 1.00 6.65 H new ATOM 0 HD2 TYR A 69 5.840 20.917 -3.664 1.00 6.13 H new ATOM 0 HE1 TYR A 69 10.502 19.349 -2.976 1.00 7.87 H new ATOM 0 HE2 TYR A 69 7.481 22.368 -2.500 1.00 7.46 H new ATOM 0 HH TYR A 69 9.588 22.614 -1.821 1.00 9.55 H new ATOM 1135 N GLY A 70 4.177 15.795 -3.241 1.00 3.65 N ATOM 1136 CA GLY A 70 2.973 15.617 -2.457 1.00 3.92 C ATOM 1137 C GLY A 70 1.872 16.555 -2.939 1.00 4.03 C ATOM 1138 O GLY A 70 1.748 16.835 -4.131 1.00 4.55 O ATOM 0 H GLY A 70 4.523 14.941 -3.677 1.00 3.65 H new ATOM 0 HA2 GLY A 70 2.635 14.583 -2.530 1.00 3.92 H new ATOM 0 HA3 GLY A 70 3.186 15.809 -1.405 1.00 3.92 H new ATOM 1142 N HIS A 71 1.110 17.093 -1.994 1.00 4.42 N ATOM 1143 CA HIS A 71 0.070 18.071 -2.272 1.00 4.94 C ATOM 1144 C HIS A 71 0.603 19.273 -3.070 1.00 4.98 C ATOM 1145 O HIS A 71 -0.100 19.804 -3.925 1.00 5.65 O ATOM 1146 CB HIS A 71 -0.573 18.514 -0.949 1.00 5.94 C ATOM 1147 CG HIS A 71 0.315 19.369 -0.074 1.00 6.81 C ATOM 1148 ND1 HIS A 71 0.013 20.630 0.376 1.00 7.67 N ATOM 1149 CD2 HIS A 71 1.603 19.101 0.310 1.00 7.54 C ATOM 1150 CE1 HIS A 71 1.093 21.103 1.015 1.00 8.82 C ATOM 1151 NE2 HIS A 71 2.111 20.221 0.973 1.00 8.84 N ATOM 0 H HIS A 71 1.199 16.859 -1.005 1.00 4.42 H new ATOM 0 HA HIS A 71 -0.688 17.603 -2.901 1.00 4.94 H new ATOM 0 HB2 HIS A 71 -1.485 19.069 -1.171 1.00 5.94 H new ATOM 0 HB3 HIS A 71 -0.868 17.627 -0.388 1.00 5.94 H new ATOM 0 HD2 HIS A 71 2.136 18.179 0.130 1.00 7.54 H new ATOM 0 HE1 HIS A 71 1.141 22.066 1.501 1.00 8.82 H new ATOM 0 HE2 HIS A 71 3.052 20.345 1.346 1.00 8.84 H new ATOM 1159 N ALA A 72 1.841 19.708 -2.818 1.00 4.96 N ATOM 1160 CA ALA A 72 2.418 20.913 -3.414 1.00 5.46 C ATOM 1161 C ALA A 72 3.050 20.625 -4.783 1.00 5.11 C ATOM 1162 O ALA A 72 3.955 21.325 -5.239 1.00 5.95 O ATOM 1163 CB ALA A 72 3.418 21.519 -2.428 1.00 6.88 C ATOM 0 H ALA A 72 2.478 19.225 -2.185 1.00 4.96 H new ATOM 0 HA ALA A 72 1.627 21.638 -3.603 1.00 5.46 H new ATOM 0 HB1 ALA A 72 3.856 22.419 -2.860 1.00 6.88 H new ATOM 0 HB2 ALA A 72 2.905 21.775 -1.501 1.00 6.88 H new ATOM 0 HB3 ALA A 72 4.207 20.796 -2.219 1.00 6.88 H new ATOM 1169 N ALA A 73 2.575 19.586 -5.463 1.00 4.32 N ATOM 1170 CA ALA A 73 2.961 19.272 -6.823 1.00 4.53 C ATOM 1171 C ALA A 73 2.723 20.481 -7.732 1.00 5.52 C ATOM 1172 O ALA A 73 3.610 20.932 -8.460 1.00 6.57 O ATOM 1173 CB ALA A 73 2.127 18.064 -7.245 1.00 3.69 C ATOM 0 H ALA A 73 1.899 18.930 -5.072 1.00 4.32 H new ATOM 0 HA ALA A 73 4.022 19.036 -6.899 1.00 4.53 H new ATOM 0 HB1 ALA A 73 2.381 17.786 -8.268 1.00 3.69 H new ATOM 0 HB2 ALA A 73 2.336 17.227 -6.579 1.00 3.69 H new ATOM 0 HB3 ALA A 73 1.068 18.316 -7.190 1.00 3.69 H new ATOM 1179 N PHE A 74 1.502 21.001 -7.700 1.00 5.69 N ATOM 1180 CA PHE A 74 1.048 22.100 -8.534 1.00 7.00 C ATOM 1181 C PHE A 74 1.171 23.397 -7.729 1.00 7.70 C ATOM 1182 O PHE A 74 0.182 23.887 -7.182 1.00 8.19 O ATOM 1183 CB PHE A 74 -0.374 21.793 -9.049 1.00 7.33 C ATOM 1184 CG PHE A 74 -1.268 20.996 -8.110 1.00 7.47 C ATOM 1185 CD1 PHE A 74 -1.198 19.589 -8.095 1.00 7.61 C ATOM 1186 CD2 PHE A 74 -2.122 21.657 -7.210 1.00 8.23 C ATOM 1187 CE1 PHE A 74 -1.888 18.858 -7.112 1.00 8.52 C ATOM 1188 CE2 PHE A 74 -2.859 20.922 -6.267 1.00 9.21 C ATOM 1189 CZ PHE A 74 -2.712 19.526 -6.191 1.00 9.37 C ATOM 0 H PHE A 74 0.778 20.655 -7.070 1.00 5.69 H new ATOM 0 HA PHE A 74 1.663 22.226 -9.425 1.00 7.00 H new ATOM 0 HB2 PHE A 74 -0.869 22.738 -9.274 1.00 7.33 H new ATOM 0 HB3 PHE A 74 -0.288 21.246 -9.988 1.00 7.33 H new ATOM 0 HD1 PHE A 74 -0.613 19.071 -8.840 1.00 7.61 H new ATOM 0 HD2 PHE A 74 -2.212 22.733 -7.244 1.00 8.23 H new ATOM 0 HE1 PHE A 74 -1.785 17.784 -7.065 1.00 8.52 H new ATOM 0 HE2 PHE A 74 -3.539 21.430 -5.600 1.00 9.21 H new ATOM 0 HZ PHE A 74 -3.232 18.968 -5.426 1.00 9.37 H new ATOM 1199 N GLU A 75 2.392 23.934 -7.621 1.00 8.15 N ATOM 1200 CA GLU A 75 2.680 25.166 -6.884 1.00 9.16 C ATOM 1201 C GLU A 75 3.211 26.301 -7.774 1.00 10.45 C ATOM 1202 O GLU A 75 3.576 27.350 -7.247 1.00 11.40 O ATOM 1203 CB GLU A 75 3.653 24.875 -5.718 1.00 9.07 C ATOM 1204 CG GLU A 75 3.074 25.250 -4.341 1.00 9.46 C ATOM 1205 CD GLU A 75 4.111 25.916 -3.461 1.00 10.85 C ATOM 1206 OE1 GLU A 75 5.085 25.248 -3.063 1.00 11.31 O ATOM 1207 OE2 GLU A 75 3.969 27.134 -3.225 1.00 11.80 O ATOM 0 H GLU A 75 3.218 23.517 -8.050 1.00 8.15 H new ATOM 0 HA GLU A 75 1.731 25.521 -6.483 1.00 9.16 H new ATOM 0 HB2 GLU A 75 3.909 23.815 -5.722 1.00 9.07 H new ATOM 0 HB3 GLU A 75 4.579 25.427 -5.879 1.00 9.07 H new ATOM 0 HG2 GLU A 75 2.224 25.920 -4.473 1.00 9.46 H new ATOM 0 HG3 GLU A 75 2.699 24.353 -3.847 1.00 9.46 H new ATOM 1214 N GLN A 76 3.295 26.123 -9.093 1.00 10.74 N ATOM 1215 CA GLN A 76 3.656 27.174 -10.010 1.00 12.12 C ATOM 1216 C GLN A 76 2.402 27.974 -10.348 1.00 12.61 C ATOM 1217 O GLN A 76 1.379 27.289 -10.570 1.00 12.26 O ATOM 1218 CB GLN A 76 4.245 26.547 -11.271 1.00 12.88 C ATOM 1219 CG GLN A 76 5.751 26.319 -11.175 1.00 13.77 C ATOM 1220 CD GLN A 76 6.131 25.270 -10.141 1.00 13.85 C ATOM 1221 OE1 GLN A 76 6.871 25.560 -9.203 1.00 14.33 O ATOM 1222 NE2 GLN A 76 5.659 24.039 -10.295 1.00 13.74 N ATOM 1223 OXT GLN A 76 2.570 29.042 -10.964 1.00 13.75 O ATOM 0 H GLN A 76 3.109 25.229 -9.548 1.00 10.74 H new ATOM 0 HA GLN A 76 4.397 27.839 -9.566 1.00 12.12 H new ATOM 0 HB2 GLN A 76 3.750 25.595 -11.462 1.00 12.88 H new ATOM 0 HB3 GLN A 76 4.034 27.192 -12.124 1.00 12.88 H new ATOM 0 HG2 GLN A 76 6.129 26.013 -12.150 1.00 13.77 H new ATOM 0 HG3 GLN A 76 6.240 27.261 -10.925 1.00 13.77 H new ATOM 0 HE21 GLN A 76 5.046 23.822 -11.081 1.00 13.74 H new ATOM 0 HE22 GLN A 76 5.909 23.310 -9.627 1.00 13.74 H new TER 1232 GLN A 76