USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.26 USER MOD Single : A 3 MET CE :methyl 148:sc= 0 (180deg=-0.821) USER MOD Single : A 4 LYS NZ :NH3+ -119:sc= -0.324 (180deg=-1.95!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc=-0.00473 (180deg=-0.155) USER MOD Single : A 15 SER OG : rot 85:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.026 (180deg=-0.217) USER MOD Single : A 17 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.034) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc=-0.00197 K(o=-0.002,f=-0.9) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= -0.0235 (180deg=-0.194) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.231 USER MOD Single : B 3 MET CE :methyl -116:sc= 0 (180deg=-0.976) USER MOD Single : B 4 LYS NZ :NH3+ -118:sc= -0.344 (180deg=-1.99!) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -167:sc=-0.00764 (180deg=-0.164) USER MOD Single : B 15 SER OG : rot 84:sc= 1.24 USER MOD Single : B 16 LYS NZ :NH3+ 166:sc= -0.0319 (180deg=-0.244) USER MOD Single : B 17 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.036) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc=-0.00275 K(o=-0.0027,f=-0.87) USER MOD Single : B 28 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.19) USER MOD Single : B 29 LYS NZ :NH3+ -169:sc= -0.0244 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.987 1.850 -2.355 1.00 0.00 N ATOM 2 CA GLY A 1 25.534 1.267 -3.639 1.00 0.00 C ATOM 3 C GLY A 1 24.037 1.038 -3.666 1.00 0.00 C ATOM 4 O GLY A 1 23.487 0.438 -2.742 1.00 0.00 O ATOM 0 H1 GLY A 1 27.017 1.990 -2.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.517 2.766 -2.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.745 1.205 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.813 1.932 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.048 0.321 -3.808 1.00 0.00 H new ATOM 10 N SER A 2 23.390 1.548 -4.718 1.00 0.00 N ATOM 11 CA SER A 2 21.947 1.395 -4.955 1.00 0.00 C ATOM 12 C SER A 2 21.091 1.679 -3.718 1.00 0.00 C ATOM 13 O SER A 2 19.993 1.140 -3.582 1.00 0.00 O ATOM 14 CB SER A 2 21.627 0.006 -5.532 1.00 0.00 C ATOM 15 OG SER A 2 22.328 -1.028 -4.859 1.00 0.00 O ATOM 0 H SER A 2 23.861 2.089 -5.443 1.00 0.00 H new ATOM 0 HA SER A 2 21.682 2.155 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.555 -0.177 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.883 -0.013 -6.591 1.00 0.00 H new ATOM 0 HG SER A 2 22.095 -1.893 -5.256 1.00 0.00 H new ATOM 21 N MET A 3 21.571 2.549 -2.839 1.00 0.00 N ATOM 22 CA MET A 3 20.802 2.922 -1.661 1.00 0.00 C ATOM 23 C MET A 3 19.635 3.804 -2.065 1.00 0.00 C ATOM 24 O MET A 3 18.506 3.589 -1.629 1.00 0.00 O ATOM 25 CB MET A 3 21.673 3.646 -0.634 1.00 0.00 C ATOM 26 CG MET A 3 22.647 2.741 0.098 1.00 0.00 C ATOM 27 SD MET A 3 23.619 3.633 1.327 1.00 0.00 S ATOM 28 CE MET A 3 24.509 2.286 2.095 1.00 0.00 C ATOM 0 H MET A 3 22.480 3.005 -2.918 1.00 0.00 H new ATOM 0 HA MET A 3 20.426 2.009 -1.199 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.233 4.433 -1.139 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.027 4.133 0.096 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.096 1.938 0.587 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.318 2.274 -0.623 1.00 0.00 H new ATOM 0 HE1 MET A 3 25.488 2.637 2.423 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.947 1.922 2.955 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.635 1.477 1.376 1.00 0.00 H new ATOM 38 N LYS A 4 19.916 4.775 -2.928 1.00 0.00 N ATOM 39 CA LYS A 4 18.893 5.689 -3.414 1.00 0.00 C ATOM 40 C LYS A 4 17.806 4.930 -4.165 1.00 0.00 C ATOM 41 O LYS A 4 16.625 5.253 -4.050 1.00 0.00 O ATOM 42 CB LYS A 4 19.513 6.764 -4.311 1.00 0.00 C ATOM 43 CG LYS A 4 20.528 7.634 -3.588 1.00 0.00 C ATOM 44 CD LYS A 4 21.087 8.750 -4.464 1.00 0.00 C ATOM 45 CE LYS A 4 21.983 8.227 -5.580 1.00 0.00 C ATOM 46 NZ LYS A 4 21.214 7.813 -6.782 1.00 0.00 N ATOM 0 H LYS A 4 20.848 4.948 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 4 18.437 6.179 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.996 6.284 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.720 7.397 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.061 8.072 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.349 7.009 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.261 9.313 -4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.654 9.444 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.698 9.000 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.559 7.378 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.371 6.801 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.201 7.983 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.532 8.365 -7.604 1.00 0.00 H new ATOM 60 N GLN A 5 18.207 3.905 -4.913 1.00 0.00 N ATOM 61 CA GLN A 5 17.254 3.079 -5.642 1.00 0.00 C ATOM 62 C GLN A 5 16.332 2.334 -4.686 1.00 0.00 C ATOM 63 O GLN A 5 15.129 2.238 -4.921 1.00 0.00 O ATOM 64 CB GLN A 5 17.977 2.082 -6.549 1.00 0.00 C ATOM 65 CG GLN A 5 18.567 2.712 -7.799 1.00 0.00 C ATOM 66 CD GLN A 5 19.167 1.686 -8.738 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.472 1.129 -9.589 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.462 1.450 -8.613 1.00 0.00 N ATOM 0 H GLN A 5 19.182 3.629 -5.029 1.00 0.00 H new ATOM 0 HA GLN A 5 16.651 3.743 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.775 1.602 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.279 1.298 -6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.790 3.269 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.335 3.430 -7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.001 1.933 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.922 0.785 -9.235 1.00 0.00 H new ATOM 77 N LEU A 6 16.897 1.820 -3.600 1.00 0.00 N ATOM 78 CA LEU A 6 16.120 1.048 -2.637 1.00 0.00 C ATOM 79 C LEU A 6 15.203 1.946 -1.811 1.00 0.00 C ATOM 80 O LEU A 6 14.032 1.622 -1.613 1.00 0.00 O ATOM 81 CB LEU A 6 17.031 0.228 -1.711 1.00 0.00 C ATOM 82 CG LEU A 6 17.846 -0.873 -2.396 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.788 -1.532 -1.402 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.925 -1.912 -3.018 1.00 0.00 C ATOM 0 H LEU A 6 17.884 1.923 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 6 15.499 0.358 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.720 0.909 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.416 -0.228 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 6 18.439 -0.418 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.360 -2.312 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.471 -0.785 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.210 -1.972 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.522 -2.686 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.307 -2.362 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.285 -1.434 -3.759 1.00 0.00 H new ATOM 96 N GLU A 7 15.718 3.083 -1.347 1.00 0.00 N ATOM 97 CA GLU A 7 14.933 3.965 -0.491 1.00 0.00 C ATOM 98 C GLU A 7 13.836 4.679 -1.286 1.00 0.00 C ATOM 99 O GLU A 7 12.834 5.111 -0.720 1.00 0.00 O ATOM 100 CB GLU A 7 15.824 4.974 0.241 1.00 0.00 C ATOM 101 CG GLU A 7 16.606 5.896 -0.671 1.00 0.00 C ATOM 102 CD GLU A 7 17.468 6.870 0.105 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.935 7.897 0.573 1.00 0.00 O ATOM 104 OE2 GLU A 7 18.680 6.611 0.256 1.00 0.00 O ATOM 0 H GLU A 7 16.663 3.411 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 7 14.450 3.342 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.201 5.578 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.525 4.429 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.237 5.302 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.914 6.451 -1.305 1.00 0.00 H new ATOM 111 N ASP A 8 14.022 4.795 -2.603 1.00 0.00 N ATOM 112 CA ASP A 8 12.974 5.334 -3.473 1.00 0.00 C ATOM 113 C ASP A 8 11.769 4.408 -3.486 1.00 0.00 C ATOM 114 O ASP A 8 10.630 4.855 -3.384 1.00 0.00 O ATOM 115 CB ASP A 8 13.482 5.536 -4.901 1.00 0.00 C ATOM 116 CG ASP A 8 13.739 6.993 -5.227 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.918 7.404 -5.273 1.00 0.00 O ATOM 118 OD2 ASP A 8 12.757 7.737 -5.449 1.00 0.00 O ATOM 0 H ASP A 8 14.879 4.526 -3.086 1.00 0.00 H new ATOM 0 HA ASP A 8 12.681 6.305 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.403 4.969 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.752 5.134 -5.603 1.00 0.00 H new ATOM 123 N LYS A 9 12.032 3.115 -3.627 1.00 0.00 N ATOM 124 CA LYS A 9 10.971 2.092 -3.535 1.00 0.00 C ATOM 125 C LYS A 9 10.236 2.202 -2.209 1.00 0.00 C ATOM 126 O LYS A 9 9.007 2.237 -2.167 1.00 0.00 O ATOM 127 CB LYS A 9 11.528 0.672 -3.628 1.00 0.00 C ATOM 128 CG LYS A 9 12.611 0.497 -4.680 1.00 0.00 C ATOM 129 CD LYS A 9 13.158 -0.920 -4.693 1.00 0.00 C ATOM 130 CE LYS A 9 14.220 -1.100 -5.767 1.00 0.00 C ATOM 131 NZ LYS A 9 13.662 -0.938 -7.137 1.00 0.00 N ATOM 0 H LYS A 9 12.964 2.740 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 9 10.300 2.276 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.931 0.387 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.710 -0.014 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.206 0.740 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.423 1.199 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.583 -1.156 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.343 -1.624 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.018 -0.374 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.667 -2.090 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.352 -1.280 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.783 -1.487 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.460 0.067 -7.313 1.00 0.00 H new ATOM 145 N VAL A 10 11.017 2.247 -1.132 1.00 0.00 N ATOM 146 CA VAL A 10 10.490 2.351 0.228 1.00 0.00 C ATOM 147 C VAL A 10 9.554 3.542 0.307 1.00 0.00 C ATOM 148 O VAL A 10 8.476 3.484 0.894 1.00 0.00 O ATOM 149 CB VAL A 10 11.624 2.534 1.263 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.060 2.667 2.670 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.609 1.378 1.194 1.00 0.00 C ATOM 0 H VAL A 10 12.035 2.212 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 10 9.961 1.427 0.460 1.00 0.00 H new ATOM 0 HB VAL A 10 12.155 3.454 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.878 2.795 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.400 3.533 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.497 1.768 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.398 1.528 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.089 0.444 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.047 1.333 0.197 1.00 0.00 H new ATOM 161 N GLU A 11 9.984 4.609 -0.339 1.00 0.00 N ATOM 162 CA GLU A 11 9.221 5.850 -0.384 1.00 0.00 C ATOM 163 C GLU A 11 7.957 5.694 -1.235 1.00 0.00 C ATOM 164 O GLU A 11 6.854 6.003 -0.777 1.00 0.00 O ATOM 165 CB GLU A 11 10.088 6.985 -0.932 1.00 0.00 C ATOM 166 CG GLU A 11 9.385 8.332 -0.960 1.00 0.00 C ATOM 167 CD GLU A 11 10.243 9.423 -1.563 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.877 10.181 -0.800 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.290 9.531 -2.805 1.00 0.00 O ATOM 0 H GLU A 11 10.868 4.644 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 11 8.916 6.094 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.989 7.068 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.408 6.731 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.461 8.244 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.106 8.613 0.055 1.00 0.00 H new ATOM 176 N GLU A 12 8.117 5.210 -2.467 1.00 0.00 N ATOM 177 CA GLU A 12 6.995 5.076 -3.397 1.00 0.00 C ATOM 178 C GLU A 12 5.918 4.153 -2.826 1.00 0.00 C ATOM 179 O GLU A 12 4.758 4.543 -2.676 1.00 0.00 O ATOM 180 CB GLU A 12 7.493 4.527 -4.739 1.00 0.00 C ATOM 181 CG GLU A 12 6.421 4.460 -5.816 1.00 0.00 C ATOM 182 CD GLU A 12 5.905 5.828 -6.210 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.648 6.576 -6.884 1.00 0.00 O ATOM 184 OE2 GLU A 12 4.754 6.161 -5.855 1.00 0.00 O ATOM 0 H GLU A 12 9.014 4.904 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 12 6.556 6.062 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.312 5.152 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.900 3.528 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.826 3.961 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.590 3.851 -5.459 1.00 0.00 H new ATOM 191 N LEU A 13 6.324 2.933 -2.514 1.00 0.00 N ATOM 192 CA LEU A 13 5.438 1.924 -1.942 1.00 0.00 C ATOM 193 C LEU A 13 4.694 2.439 -0.712 1.00 0.00 C ATOM 194 O LEU A 13 3.499 2.208 -0.580 1.00 0.00 O ATOM 195 CB LEU A 13 6.232 0.670 -1.573 1.00 0.00 C ATOM 196 CG LEU A 13 6.881 -0.059 -2.751 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.743 -1.205 -2.254 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.820 -0.572 -3.715 1.00 0.00 C ATOM 0 H LEU A 13 7.282 2.610 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 13 4.696 1.682 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.012 0.948 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.567 -0.024 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 13 7.516 0.648 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.198 -1.714 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.526 -0.816 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.125 -1.910 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.302 -1.087 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.159 -1.264 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.239 0.267 -4.097 1.00 0.00 H new ATOM 210 N LEU A 14 5.397 3.130 0.181 1.00 0.00 N ATOM 211 CA LEU A 14 4.781 3.664 1.392 1.00 0.00 C ATOM 212 C LEU A 14 3.762 4.748 1.051 1.00 0.00 C ATOM 213 O LEU A 14 2.674 4.779 1.624 1.00 0.00 O ATOM 214 CB LEU A 14 5.845 4.208 2.358 1.00 0.00 C ATOM 215 CG LEU A 14 5.307 4.833 3.649 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.574 3.799 4.491 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.443 5.460 4.445 1.00 0.00 C ATOM 0 H LEU A 14 6.392 3.333 0.089 1.00 0.00 H new ATOM 0 HA LEU A 14 4.258 2.847 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.520 3.394 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.439 4.956 1.833 1.00 0.00 H new ATOM 0 HG LEU A 14 4.596 5.614 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.202 4.269 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.736 3.395 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.258 2.992 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.046 5.900 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.175 4.694 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.922 6.235 3.847 1.00 0.00 H new ATOM 229 N SER A 15 4.108 5.627 0.112 1.00 0.00 N ATOM 230 CA SER A 15 3.182 6.656 -0.341 1.00 0.00 C ATOM 231 C SER A 15 1.909 6.016 -0.902 1.00 0.00 C ATOM 232 O SER A 15 0.794 6.434 -0.580 1.00 0.00 O ATOM 233 CB SER A 15 3.854 7.529 -1.402 1.00 0.00 C ATOM 234 OG SER A 15 5.104 8.016 -0.938 1.00 0.00 O ATOM 0 H SER A 15 5.019 5.645 -0.346 1.00 0.00 H new ATOM 0 HA SER A 15 2.906 7.283 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.000 6.952 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.204 8.366 -1.655 1.00 0.00 H new ATOM 0 HG SER A 15 5.798 7.344 -1.103 1.00 0.00 H new ATOM 240 N LYS A 16 2.086 4.982 -1.718 1.00 0.00 N ATOM 241 CA LYS A 16 0.960 4.266 -2.305 1.00 0.00 C ATOM 242 C LYS A 16 0.210 3.479 -1.229 1.00 0.00 C ATOM 243 O LYS A 16 -1.020 3.450 -1.212 1.00 0.00 O ATOM 244 CB LYS A 16 1.453 3.321 -3.409 1.00 0.00 C ATOM 245 CG LYS A 16 0.335 2.629 -4.174 1.00 0.00 C ATOM 246 CD LYS A 16 0.885 1.636 -5.186 1.00 0.00 C ATOM 247 CE LYS A 16 -0.231 0.967 -5.974 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.013 1.945 -6.775 1.00 0.00 N ATOM 0 H LYS A 16 3.001 4.621 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 16 0.275 4.992 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.064 3.887 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.098 2.564 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.320 2.111 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.272 3.375 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.559 2.149 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.473 0.877 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.195 0.214 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.898 0.446 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.611 1.436 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.614 2.510 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.362 2.574 -7.287 1.00 0.00 H new ATOM 262 N ASN A 17 0.971 2.849 -0.336 1.00 0.00 N ATOM 263 CA ASN A 17 0.417 2.093 0.787 1.00 0.00 C ATOM 264 C ASN A 17 -0.526 2.965 1.603 1.00 0.00 C ATOM 265 O ASN A 17 -1.655 2.573 1.892 1.00 0.00 O ATOM 266 CB ASN A 17 1.560 1.584 1.675 1.00 0.00 C ATOM 267 CG ASN A 17 1.089 0.684 2.807 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.739 1.160 3.884 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.108 -0.628 2.595 1.00 0.00 N ATOM 0 H ASN A 17 1.990 2.848 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.147 1.245 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.273 1.037 1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.091 2.438 2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.827 -1.269 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.403 -0.994 1.690 1.00 0.00 H new ATOM 276 N TYR A 18 -0.050 4.154 1.958 1.00 0.00 N ATOM 277 CA TYR A 18 -0.839 5.117 2.702 1.00 0.00 C ATOM 278 C TYR A 18 -2.164 5.400 2.000 1.00 0.00 C ATOM 279 O TYR A 18 -3.224 5.385 2.624 1.00 0.00 O ATOM 280 CB TYR A 18 -0.045 6.411 2.845 1.00 0.00 C ATOM 281 CG TYR A 18 -0.309 7.128 4.140 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.340 6.734 5.298 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.199 8.191 4.210 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.111 7.374 6.492 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.433 8.840 5.405 1.00 0.00 C ATOM 286 CZ TYR A 18 -0.775 8.427 6.545 1.00 0.00 C ATOM 287 OH TYR A 18 -1.003 9.070 7.740 1.00 0.00 O ATOM 0 H TYR A 18 0.893 4.473 1.736 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.059 4.703 3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.019 6.187 2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.289 7.073 2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.038 5.910 5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.715 8.514 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.624 7.052 7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.127 9.666 5.448 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.654 9.790 7.605 1.00 0.00 H new ATOM 297 N HIS A 19 -2.094 5.637 0.694 1.00 0.00 N ATOM 298 CA HIS A 19 -3.279 5.962 -0.093 1.00 0.00 C ATOM 299 C HIS A 19 -4.261 4.800 -0.099 1.00 0.00 C ATOM 300 O HIS A 19 -5.465 4.992 0.071 1.00 0.00 O ATOM 301 CB HIS A 19 -2.897 6.323 -1.531 1.00 0.00 C ATOM 302 CG HIS A 19 -1.999 7.515 -1.636 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.140 7.715 -2.691 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.823 8.570 -0.807 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.472 8.834 -2.507 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.867 9.375 -1.371 1.00 0.00 N ATOM 0 H HIS A 19 -1.227 5.610 0.157 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.757 6.825 0.371 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.404 5.467 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.806 6.513 -2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.339 8.745 0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.274 9.241 -3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.519 10.249 -0.977 1.00 0.00 H new ATOM 315 N LEU A 20 -3.739 3.593 -0.280 1.00 0.00 N ATOM 316 CA LEU A 20 -4.572 2.402 -0.298 1.00 0.00 C ATOM 317 C LEU A 20 -5.228 2.189 1.056 1.00 0.00 C ATOM 318 O LEU A 20 -6.424 1.922 1.128 1.00 0.00 O ATOM 319 CB LEU A 20 -3.764 1.163 -0.695 1.00 0.00 C ATOM 320 CG LEU A 20 -3.139 1.213 -2.092 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.334 -0.043 -2.357 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.214 1.387 -3.156 1.00 0.00 C ATOM 0 H LEU A 20 -2.744 3.416 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.350 2.553 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.969 1.018 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.415 0.290 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.469 2.072 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.897 0.009 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.539 -0.129 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.986 -0.914 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.749 1.420 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.909 0.549 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.754 2.317 -2.979 1.00 0.00 H new ATOM 334 N GLU A 21 -4.454 2.340 2.127 1.00 0.00 N ATOM 335 CA GLU A 21 -4.972 2.107 3.469 1.00 0.00 C ATOM 336 C GLU A 21 -6.112 3.074 3.773 1.00 0.00 C ATOM 337 O GLU A 21 -7.093 2.710 4.426 1.00 0.00 O ATOM 338 CB GLU A 21 -3.872 2.252 4.527 1.00 0.00 C ATOM 339 CG GLU A 21 -4.137 1.432 5.783 1.00 0.00 C ATOM 340 CD GLU A 21 -3.215 1.782 6.931 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.143 1.154 7.049 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.571 2.669 7.734 1.00 0.00 O ATOM 0 H GLU A 21 -3.474 2.620 2.092 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.347 1.084 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.919 1.946 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.776 3.303 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.170 1.583 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.027 0.373 5.547 1.00 0.00 H new ATOM 349 N ASN A 22 -5.977 4.304 3.285 1.00 0.00 N ATOM 350 CA ASN A 22 -7.016 5.314 3.449 1.00 0.00 C ATOM 351 C ASN A 22 -8.309 4.862 2.786 1.00 0.00 C ATOM 352 O ASN A 22 -9.387 4.959 3.376 1.00 0.00 O ATOM 353 CB ASN A 22 -6.588 6.659 2.854 1.00 0.00 C ATOM 354 CG ASN A 22 -5.433 7.299 3.594 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.233 7.066 4.788 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.676 8.130 2.896 1.00 0.00 N ATOM 0 H ASN A 22 -5.156 4.625 2.772 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.179 5.441 4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.307 6.514 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.439 7.340 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.893 8.605 3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.876 8.295 1.909 1.00 0.00 H new ATOM 363 N GLU A 23 -8.195 4.361 1.561 1.00 0.00 N ATOM 364 CA GLU A 23 -9.357 3.893 0.824 1.00 0.00 C ATOM 365 C GLU A 23 -9.952 2.654 1.481 1.00 0.00 C ATOM 366 O GLU A 23 -11.172 2.531 1.572 1.00 0.00 O ATOM 367 CB GLU A 23 -9.010 3.607 -0.640 1.00 0.00 C ATOM 368 CG GLU A 23 -8.627 4.851 -1.424 1.00 0.00 C ATOM 369 CD GLU A 23 -8.607 4.620 -2.922 1.00 0.00 C ATOM 370 OE1 GLU A 23 -7.509 4.615 -3.513 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.694 4.458 -3.521 1.00 0.00 O ATOM 0 H GLU A 23 -7.311 4.270 1.061 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.102 4.688 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.186 2.895 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.864 3.132 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.331 5.651 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.643 5.190 -1.100 1.00 0.00 H new ATOM 378 N VAL A 24 -9.093 1.748 1.949 1.00 0.00 N ATOM 379 CA VAL A 24 -9.550 0.553 2.655 1.00 0.00 C ATOM 380 C VAL A 24 -10.462 0.943 3.817 1.00 0.00 C ATOM 381 O VAL A 24 -11.593 0.472 3.921 1.00 0.00 O ATOM 382 CB VAL A 24 -8.378 -0.280 3.219 1.00 0.00 C ATOM 383 CG1 VAL A 24 -8.891 -1.472 4.012 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.463 -0.748 2.105 1.00 0.00 C ATOM 0 H VAL A 24 -8.080 1.819 1.852 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.088 -0.053 1.926 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.807 0.362 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.046 -2.043 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.502 -1.120 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.493 -2.109 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.645 -1.332 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.027 -1.365 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.057 0.117 1.580 1.00 0.00 H new ATOM 394 N ALA A 25 -9.953 1.820 4.677 1.00 0.00 N ATOM 395 CA ALA A 25 -10.692 2.275 5.850 1.00 0.00 C ATOM 396 C ALA A 25 -12.001 2.959 5.468 1.00 0.00 C ATOM 397 O ALA A 25 -13.061 2.627 6.006 1.00 0.00 O ATOM 398 CB ALA A 25 -9.835 3.219 6.673 1.00 0.00 C ATOM 0 H ALA A 25 -9.025 2.232 4.582 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.939 1.395 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.396 3.552 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.933 2.701 6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.560 4.082 6.067 1.00 0.00 H new ATOM 404 N ARG A 26 -11.921 3.910 4.539 1.00 0.00 N ATOM 405 CA ARG A 26 -13.093 4.666 4.109 1.00 0.00 C ATOM 406 C ARG A 26 -14.168 3.737 3.561 1.00 0.00 C ATOM 407 O ARG A 26 -15.295 3.724 4.050 1.00 0.00 O ATOM 408 CB ARG A 26 -12.702 5.696 3.046 1.00 0.00 C ATOM 409 CG ARG A 26 -13.864 6.557 2.573 1.00 0.00 C ATOM 410 CD ARG A 26 -13.419 7.563 1.525 1.00 0.00 C ATOM 411 NE ARG A 26 -14.525 8.405 1.066 1.00 0.00 N ATOM 412 CZ ARG A 26 -14.426 9.296 0.081 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.274 9.466 -0.555 1.00 0.00 N ATOM 414 NH2 ARG A 26 -15.484 10.015 -0.270 1.00 0.00 N ATOM 0 H ARG A 26 -11.055 4.175 4.070 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.496 5.187 4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.922 6.343 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.274 5.176 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.646 5.920 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.298 7.083 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.632 8.193 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.989 7.034 0.674 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.428 8.303 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.459 8.913 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.204 10.150 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.372 9.885 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.409 10.698 -1.024 1.00 0.00 H new ATOM 428 N LEU A 27 -13.805 2.942 2.563 1.00 0.00 N ATOM 429 CA LEU A 27 -14.748 2.033 1.919 1.00 0.00 C ATOM 430 C LEU A 27 -15.340 1.039 2.913 1.00 0.00 C ATOM 431 O LEU A 27 -16.477 0.602 2.756 1.00 0.00 O ATOM 432 CB LEU A 27 -14.059 1.280 0.779 1.00 0.00 C ATOM 433 CG LEU A 27 -13.562 2.157 -0.369 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.751 1.338 -1.358 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.728 2.829 -1.074 1.00 0.00 C ATOM 0 H LEU A 27 -12.860 2.907 2.180 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.564 2.634 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.212 0.729 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.755 0.543 0.378 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.918 2.930 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.407 1.982 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.891 0.902 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.373 0.542 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.353 3.449 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.397 2.068 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.272 3.452 -0.364 1.00 0.00 H new ATOM 447 N LYS A 28 -14.578 0.715 3.950 1.00 0.00 N ATOM 448 CA LYS A 28 -14.989 -0.283 4.925 1.00 0.00 C ATOM 449 C LYS A 28 -16.087 0.269 5.829 1.00 0.00 C ATOM 450 O LYS A 28 -17.123 -0.369 6.017 1.00 0.00 O ATOM 451 CB LYS A 28 -13.779 -0.733 5.743 1.00 0.00 C ATOM 452 CG LYS A 28 -14.036 -1.952 6.613 1.00 0.00 C ATOM 453 CD LYS A 28 -12.736 -2.575 7.106 1.00 0.00 C ATOM 454 CE LYS A 28 -11.927 -3.166 5.959 1.00 0.00 C ATOM 455 NZ LYS A 28 -10.701 -3.865 6.436 1.00 0.00 N ATOM 0 H LYS A 28 -13.666 1.133 4.137 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.396 -1.147 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.956 -0.952 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.456 0.092 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.650 -1.667 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.602 -2.691 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.142 -1.819 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.959 -3.355 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.549 -3.866 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.645 -2.371 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.428 -4.595 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.927 -3.178 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.891 -4.311 7.356 1.00 0.00 H new ATOM 469 N LYS A 29 -15.864 1.459 6.384 1.00 0.00 N ATOM 470 CA LYS A 29 -16.887 2.132 7.180 1.00 0.00 C ATOM 471 C LYS A 29 -18.110 2.455 6.321 1.00 0.00 C ATOM 472 O LYS A 29 -19.239 2.466 6.814 1.00 0.00 O ATOM 473 CB LYS A 29 -16.332 3.430 7.803 1.00 0.00 C ATOM 474 CG LYS A 29 -15.510 3.260 9.087 1.00 0.00 C ATOM 475 CD LYS A 29 -14.389 2.241 8.942 1.00 0.00 C ATOM 476 CE LYS A 29 -13.640 2.047 10.252 1.00 0.00 C ATOM 477 NZ LYS A 29 -13.024 3.311 10.738 1.00 0.00 N ATOM 0 H LYS A 29 -14.988 1.975 6.297 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.184 1.457 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.710 3.929 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.169 4.094 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.085 4.223 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.171 2.953 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.803 1.288 8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.694 2.570 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.326 1.665 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.863 1.294 10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.375 3.101 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.496 3.761 9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.770 3.956 11.069 1.00 0.00 H new ATOM 491 N LEU A 30 -17.882 2.709 5.037 1.00 0.00 N ATOM 492 CA LEU A 30 -18.970 3.018 4.114 1.00 0.00 C ATOM 493 C LEU A 30 -19.822 1.786 3.815 1.00 0.00 C ATOM 494 O LEU A 30 -21.035 1.803 4.027 1.00 0.00 O ATOM 495 CB LEU A 30 -18.434 3.615 2.807 1.00 0.00 C ATOM 496 CG LEU A 30 -18.423 5.148 2.731 1.00 0.00 C ATOM 497 CD1 LEU A 30 -19.840 5.694 2.796 1.00 0.00 C ATOM 498 CD2 LEU A 30 -17.578 5.745 3.843 1.00 0.00 C ATOM 0 H LEU A 30 -16.955 2.707 4.611 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.602 3.759 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.417 3.255 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.034 3.233 1.981 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.980 5.433 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -19.813 6.782 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.420 5.302 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.305 5.389 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.588 6.832 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.985 5.447 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.553 5.385 3.755 1.00 0.00 H new ATOM 510 N VAL A 31 -19.197 0.722 3.317 1.00 0.00 N ATOM 511 CA VAL A 31 -19.926 -0.492 2.973 1.00 0.00 C ATOM 512 C VAL A 31 -20.486 -1.203 4.216 1.00 0.00 C ATOM 513 O VAL A 31 -21.540 -1.836 4.150 1.00 0.00 O ATOM 514 CB VAL A 31 -19.042 -1.468 2.158 1.00 0.00 C ATOM 515 CG1 VAL A 31 -17.977 -2.122 3.025 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.895 -2.514 1.473 1.00 0.00 C ATOM 0 H VAL A 31 -18.193 0.677 3.144 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.769 -0.182 2.355 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.527 -0.886 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.378 -2.799 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.334 -1.353 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.455 -2.683 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.256 -3.190 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.448 -3.081 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.597 -2.025 0.797 1.00 0.00 H new ATOM 526 N GLY A 32 -19.797 -1.080 5.348 1.00 0.00 N ATOM 527 CA GLY A 32 -20.257 -1.712 6.566 1.00 0.00 C ATOM 528 C GLY A 32 -19.259 -2.724 7.089 1.00 0.00 C ATOM 529 O GLY A 32 -18.680 -3.489 6.316 1.00 0.00 O ATOM 0 H GLY A 32 -18.929 -0.553 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.434 -0.951 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.211 -2.205 6.381 1.00 0.00 H new ATOM 533 N GLU A 33 -19.052 -2.728 8.396 1.00 0.00 N ATOM 534 CA GLU A 33 -18.116 -3.646 9.024 1.00 0.00 C ATOM 535 C GLU A 33 -18.481 -3.825 10.492 1.00 0.00 C ATOM 536 O GLU A 33 -18.969 -4.912 10.861 1.00 0.00 O ATOM 537 CB GLU A 33 -16.680 -3.125 8.893 1.00 0.00 C ATOM 538 CG GLU A 33 -15.620 -4.116 9.353 1.00 0.00 C ATOM 539 CD GLU A 33 -15.586 -5.376 8.509 1.00 0.00 C ATOM 540 OE1 GLU A 33 -14.891 -5.384 7.472 1.00 0.00 O ATOM 541 OE2 GLU A 33 -16.243 -6.369 8.883 1.00 0.00 O ATOM 542 OXT GLU A 33 -18.324 -2.858 11.267 1.00 0.00 O ATOM 0 H GLU A 33 -19.524 -2.100 9.047 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.176 -4.611 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.492 -2.864 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.582 -2.208 9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.642 -3.636 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.808 -4.386 10.392 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 26.031 -1.975 2.630 1.00 0.00 N ATOM 551 CA GLY B 1 25.590 -1.403 3.923 1.00 0.00 C ATOM 552 C GLY B 1 24.091 -1.197 3.974 1.00 0.00 C ATOM 553 O GLY B 1 23.516 -0.606 3.060 1.00 0.00 O ATOM 0 H1 GLY B 1 27.064 -2.099 2.639 1.00 0.00 H new ATOM 0 H2 GLY B 1 25.573 -2.897 2.484 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.767 -1.331 1.857 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.892 -2.066 4.734 1.00 0.00 H new ATOM 0 HA3 GLY B 1 26.092 -0.450 4.087 1.00 0.00 H new ATOM 559 N SER B 2 23.470 -1.717 5.038 1.00 0.00 N ATOM 560 CA SER B 2 22.028 -1.589 5.293 1.00 0.00 C ATOM 561 C SER B 2 21.157 -1.883 4.067 1.00 0.00 C ATOM 562 O SER B 2 20.048 -1.362 3.948 1.00 0.00 O ATOM 563 CB SER B 2 21.692 -0.208 5.877 1.00 0.00 C ATOM 564 OG SER B 2 22.386 0.839 5.215 1.00 0.00 O ATOM 0 H SER B 2 23.961 -2.247 5.758 1.00 0.00 H new ATOM 0 HA SER B 2 21.788 -2.357 6.028 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.619 -0.035 5.801 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.943 -0.193 6.938 1.00 0.00 H new ATOM 0 HG SER B 2 22.142 1.699 5.617 1.00 0.00 H new ATOM 570 N MET B 3 21.637 -2.745 3.177 1.00 0.00 N ATOM 571 CA MET B 3 20.856 -3.126 2.009 1.00 0.00 C ATOM 572 C MET B 3 19.706 -4.022 2.428 1.00 0.00 C ATOM 573 O MET B 3 18.567 -3.824 2.008 1.00 0.00 O ATOM 574 CB MET B 3 21.718 -3.838 0.967 1.00 0.00 C ATOM 575 CG MET B 3 22.670 -2.919 0.222 1.00 0.00 C ATOM 576 SD MET B 3 23.616 -3.793 -1.038 1.00 0.00 S ATOM 577 CE MET B 3 24.496 -2.433 -1.799 1.00 0.00 C ATOM 0 H MET B 3 22.553 -3.188 3.242 1.00 0.00 H new ATOM 0 HA MET B 3 20.464 -2.216 1.555 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.295 -4.620 1.461 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.066 -4.331 0.246 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.103 -2.114 -0.245 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.355 -2.456 0.932 1.00 0.00 H new ATOM 0 HE1 MET B 3 24.180 -2.331 -2.837 1.00 0.00 H new ATOM 0 HE2 MET B 3 24.277 -1.511 -1.260 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.568 -2.628 -1.764 1.00 0.00 H new ATOM 587 N LYS B 4 20.010 -4.988 3.289 1.00 0.00 N ATOM 588 CA LYS B 4 19.007 -5.918 3.787 1.00 0.00 C ATOM 589 C LYS B 4 17.920 -5.172 4.556 1.00 0.00 C ATOM 590 O LYS B 4 16.741 -5.501 4.455 1.00 0.00 O ATOM 591 CB LYS B 4 19.657 -6.983 4.673 1.00 0.00 C ATOM 592 CG LYS B 4 20.677 -7.836 3.931 1.00 0.00 C ATOM 593 CD LYS B 4 21.262 -8.945 4.800 1.00 0.00 C ATOM 594 CE LYS B 4 22.164 -8.415 5.908 1.00 0.00 C ATOM 595 NZ LYS B 4 21.402 -8.006 7.119 1.00 0.00 N ATOM 0 H LYS B 4 20.948 -5.146 3.657 1.00 0.00 H new ATOM 0 HA LYS B 4 18.545 -6.415 2.934 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.145 -6.496 5.517 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.881 -7.629 5.083 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.205 -8.278 3.054 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.484 -7.198 3.571 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.449 -9.519 5.244 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.831 -9.630 4.172 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.888 -9.183 6.181 1.00 0.00 H new ATOM 0 HE3 LYS B 4 22.730 -7.562 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.539 -6.989 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 20.390 -8.199 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.743 -8.543 7.942 1.00 0.00 H new ATOM 609 N GLN B 5 18.320 -4.145 5.302 1.00 0.00 N ATOM 610 CA GLN B 5 17.368 -3.333 6.046 1.00 0.00 C ATOM 611 C GLN B 5 16.421 -2.600 5.103 1.00 0.00 C ATOM 612 O GLN B 5 15.219 -2.518 5.358 1.00 0.00 O ATOM 613 CB GLN B 5 18.090 -2.326 6.943 1.00 0.00 C ATOM 614 CG GLN B 5 18.704 -2.947 8.186 1.00 0.00 C ATOM 615 CD GLN B 5 19.313 -1.914 9.114 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.630 -1.355 9.971 1.00 0.00 O ATOM 617 NE2 GLN B 5 20.604 -1.671 8.967 1.00 0.00 N ATOM 0 H GLN B 5 19.293 -3.858 5.405 1.00 0.00 H new ATOM 0 HA GLN B 5 16.784 -4.006 6.675 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.875 -1.836 6.366 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.386 -1.551 7.245 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.939 -3.507 8.724 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.472 -3.661 7.889 1.00 0.00 H new ATOM 0 HE21 GLN B 5 21.135 -2.156 8.244 1.00 0.00 H new ATOM 0 HE22 GLN B 5 21.069 -0.999 9.577 1.00 0.00 H new ATOM 626 N LEU B 6 16.963 -2.078 4.009 1.00 0.00 N ATOM 627 CA LEU B 6 16.162 -1.317 3.056 1.00 0.00 C ATOM 628 C LEU B 6 15.244 -2.227 2.241 1.00 0.00 C ATOM 629 O LEU B 6 14.064 -1.920 2.067 1.00 0.00 O ATOM 630 CB LEU B 6 17.049 -0.485 2.116 1.00 0.00 C ATOM 631 CG LEU B 6 17.859 0.627 2.790 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.778 1.299 1.782 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.932 1.654 3.425 1.00 0.00 C ATOM 0 H LEU B 6 17.948 -2.167 3.760 1.00 0.00 H new ATOM 0 HA LEU B 6 15.541 -0.636 3.638 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.740 -1.157 1.607 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.417 -0.037 1.349 1.00 0.00 H new ATOM 0 HG LEU B 6 18.469 0.180 3.575 1.00 0.00 H new ATOM 0 HD11 LEU B 6 19.346 2.087 2.277 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.465 0.561 1.368 1.00 0.00 H new ATOM 0 HD13 LEU B 6 18.182 1.732 0.978 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.525 2.436 3.899 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.297 2.095 2.657 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.309 1.167 4.175 1.00 0.00 H new ATOM 645 N GLU B 7 15.767 -3.356 1.769 1.00 0.00 N ATOM 646 CA GLU B 7 14.983 -4.248 0.921 1.00 0.00 C ATOM 647 C GLU B 7 13.912 -4.984 1.730 1.00 0.00 C ATOM 648 O GLU B 7 12.916 -5.449 1.174 1.00 0.00 O ATOM 649 CB GLU B 7 15.882 -5.239 0.176 1.00 0.00 C ATOM 650 CG GLU B 7 16.689 -6.152 1.074 1.00 0.00 C ATOM 651 CD GLU B 7 17.556 -7.106 0.282 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.028 -8.128 -0.208 1.00 0.00 O ATOM 653 OE2 GLU B 7 18.767 -6.843 0.138 1.00 0.00 O ATOM 0 H GLU B 7 16.719 -3.672 1.957 1.00 0.00 H new ATOM 0 HA GLU B 7 14.477 -3.632 0.178 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.262 -5.850 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.566 -4.680 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.318 -5.551 1.731 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.014 -6.721 1.713 1.00 0.00 H new ATOM 660 N ASP B 8 14.117 -5.093 3.041 1.00 0.00 N ATOM 661 CA ASP B 8 13.092 -5.647 3.927 1.00 0.00 C ATOM 662 C ASP B 8 11.873 -4.737 3.959 1.00 0.00 C ATOM 663 O ASP B 8 10.739 -5.201 3.873 1.00 0.00 O ATOM 664 CB ASP B 8 13.626 -5.846 5.349 1.00 0.00 C ATOM 665 CG ASP B 8 13.908 -7.302 5.667 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.089 -7.705 5.666 1.00 0.00 O ATOM 667 OD2 ASP B 8 12.940 -8.054 5.924 1.00 0.00 O ATOM 0 H ASP B 8 14.976 -4.808 3.512 1.00 0.00 H new ATOM 0 HA ASP B 8 12.807 -6.622 3.531 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.541 -5.267 5.474 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.901 -5.456 6.063 1.00 0.00 H new ATOM 672 N LYS B 9 12.121 -3.440 4.096 1.00 0.00 N ATOM 673 CA LYS B 9 11.044 -2.431 4.022 1.00 0.00 C ATOM 674 C LYS B 9 10.291 -2.549 2.707 1.00 0.00 C ATOM 675 O LYS B 9 9.064 -2.604 2.684 1.00 0.00 O ATOM 676 CB LYS B 9 11.581 -1.001 4.109 1.00 0.00 C ATOM 677 CG LYS B 9 12.675 -0.812 5.146 1.00 0.00 C ATOM 678 CD LYS B 9 13.201 0.613 5.154 1.00 0.00 C ATOM 679 CE LYS B 9 14.273 0.804 6.215 1.00 0.00 C ATOM 680 NZ LYS B 9 13.740 0.623 7.593 1.00 0.00 N ATOM 0 H LYS B 9 13.050 -3.052 4.259 1.00 0.00 H new ATOM 0 HA LYS B 9 10.389 -2.626 4.871 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.967 -0.709 3.132 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.756 -0.328 4.340 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.288 -1.063 6.134 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.494 -1.501 4.941 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.610 0.857 4.174 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.379 1.305 5.337 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.082 0.093 6.044 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.701 1.802 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.435 0.973 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.853 1.156 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.559 -0.387 7.765 1.00 0.00 H new ATOM 694 N VAL B 10 11.058 -2.582 1.619 1.00 0.00 N ATOM 695 CA VAL B 10 10.514 -2.689 0.266 1.00 0.00 C ATOM 696 C VAL B 10 9.594 -3.893 0.199 1.00 0.00 C ATOM 697 O VAL B 10 8.508 -3.851 -0.376 1.00 0.00 O ATOM 698 CB VAL B 10 11.637 -2.857 -0.785 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.054 -2.993 -2.183 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.606 -1.688 -0.729 1.00 0.00 C ATOM 0 H VAL B 10 12.076 -2.535 1.651 1.00 0.00 H new ATOM 0 HA VAL B 10 9.970 -1.771 0.043 1.00 0.00 H new ATOM 0 HB VAL B 10 12.183 -3.770 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.863 -3.110 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.403 -3.867 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.478 -2.100 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.387 -1.827 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.070 -0.761 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.057 -1.636 0.262 1.00 0.00 H new ATOM 710 N GLU B 11 10.047 -4.955 0.838 1.00 0.00 N ATOM 711 CA GLU B 11 9.301 -6.206 0.892 1.00 0.00 C ATOM 712 C GLU B 11 8.046 -6.070 1.760 1.00 0.00 C ATOM 713 O GLU B 11 6.944 -6.401 1.317 1.00 0.00 O ATOM 714 CB GLU B 11 10.188 -7.331 1.426 1.00 0.00 C ATOM 715 CG GLU B 11 9.501 -8.686 1.459 1.00 0.00 C ATOM 716 CD GLU B 11 10.376 -9.769 2.054 1.00 0.00 C ATOM 717 OE1 GLU B 11 11.019 -10.513 1.283 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.423 -9.885 3.299 1.00 0.00 O ATOM 0 H GLU B 11 10.938 -4.979 1.334 1.00 0.00 H new ATOM 0 HA GLU B 11 8.986 -6.450 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.082 -7.402 0.807 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.517 -7.076 2.433 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.581 -8.609 2.038 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.217 -8.970 0.446 1.00 0.00 H new ATOM 725 N GLU B 12 8.216 -5.582 2.989 1.00 0.00 N ATOM 726 CA GLU B 12 7.104 -5.464 3.933 1.00 0.00 C ATOM 727 C GLU B 12 6.008 -4.558 3.376 1.00 0.00 C ATOM 728 O GLU B 12 4.854 -4.967 3.238 1.00 0.00 O ATOM 729 CB GLU B 12 7.611 -4.911 5.268 1.00 0.00 C ATOM 730 CG GLU B 12 6.550 -4.859 6.354 1.00 0.00 C ATOM 731 CD GLU B 12 6.050 -6.231 6.747 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.797 -6.967 7.424 1.00 0.00 O ATOM 733 OE2 GLU B 12 4.903 -6.578 6.397 1.00 0.00 O ATOM 0 H GLU B 12 9.113 -5.262 3.354 1.00 0.00 H new ATOM 0 HA GLU B 12 6.680 -6.456 4.090 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.441 -5.527 5.614 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.004 -3.907 5.109 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.959 -4.360 7.233 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.710 -4.256 6.008 1.00 0.00 H new ATOM 740 N LEU B 13 6.392 -3.330 3.063 1.00 0.00 N ATOM 741 CA LEU B 13 5.483 -2.334 2.505 1.00 0.00 C ATOM 742 C LEU B 13 4.730 -2.859 1.287 1.00 0.00 C ATOM 743 O LEU B 13 3.529 -2.641 1.171 1.00 0.00 O ATOM 744 CB LEU B 13 6.256 -1.071 2.126 1.00 0.00 C ATOM 745 CG LEU B 13 6.912 -0.333 3.296 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.751 0.826 2.787 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.858 0.164 4.274 1.00 0.00 C ATOM 0 H LEU B 13 7.346 -2.992 3.188 1.00 0.00 H new ATOM 0 HA LEU B 13 4.747 -2.102 3.275 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.030 -1.340 1.407 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.576 -0.386 1.621 1.00 0.00 H new ATOM 0 HG LEU B 13 7.565 -1.031 3.820 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.211 1.341 3.631 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.530 0.448 2.125 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.116 1.522 2.240 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.344 0.686 5.098 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.180 0.847 3.762 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.294 -0.684 4.663 1.00 0.00 H new ATOM 759 N LEU B 14 5.430 -3.538 0.381 1.00 0.00 N ATOM 760 CA LEU B 14 4.805 -4.082 -0.822 1.00 0.00 C ATOM 761 C LEU B 14 3.807 -5.183 -0.469 1.00 0.00 C ATOM 762 O LEU B 14 2.712 -5.229 -1.028 1.00 0.00 O ATOM 763 CB LEU B 14 5.864 -4.609 -1.802 1.00 0.00 C ATOM 764 CG LEU B 14 5.318 -5.240 -3.086 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.556 -4.216 -3.914 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.449 -5.846 -3.900 1.00 0.00 C ATOM 0 H LEU B 14 6.430 -3.724 0.457 1.00 0.00 H new ATOM 0 HA LEU B 14 4.262 -3.272 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.523 -3.785 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.475 -5.349 -1.286 1.00 0.00 H new ATOM 0 HG LEU B 14 4.624 -6.033 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.179 -4.689 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.720 -3.827 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.223 -3.397 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.045 -6.291 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.165 -5.068 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU B 14 6.949 -6.615 -3.312 1.00 0.00 H new ATOM 778 N SER B 15 4.178 -6.056 0.467 1.00 0.00 N ATOM 779 CA SER B 15 3.273 -7.098 0.930 1.00 0.00 C ATOM 780 C SER B 15 2.000 -6.474 1.508 1.00 0.00 C ATOM 781 O SER B 15 0.886 -6.905 1.203 1.00 0.00 O ATOM 782 CB SER B 15 3.968 -7.962 1.983 1.00 0.00 C ATOM 783 OG SER B 15 5.218 -8.438 1.506 1.00 0.00 O ATOM 0 H SER B 15 5.094 -6.060 0.915 1.00 0.00 H new ATOM 0 HA SER B 15 2.997 -7.729 0.085 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.119 -7.381 2.893 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.330 -8.806 2.245 1.00 0.00 H new ATOM 0 HG SER B 15 5.904 -7.752 1.645 1.00 0.00 H new ATOM 789 N LYS B 16 2.174 -5.438 2.321 1.00 0.00 N ATOM 790 CA LYS B 16 1.047 -4.738 2.925 1.00 0.00 C ATOM 791 C LYS B 16 0.272 -3.960 1.862 1.00 0.00 C ATOM 792 O LYS B 16 -0.959 -3.947 1.861 1.00 0.00 O ATOM 793 CB LYS B 16 1.544 -3.789 4.022 1.00 0.00 C ATOM 794 CG LYS B 16 0.430 -3.114 4.806 1.00 0.00 C ATOM 795 CD LYS B 16 0.982 -2.113 5.808 1.00 0.00 C ATOM 796 CE LYS B 16 -0.131 -1.461 6.612 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.889 -2.454 7.420 1.00 0.00 N ATOM 0 H LYS B 16 3.088 -5.064 2.577 1.00 0.00 H new ATOM 0 HA LYS B 16 0.378 -5.473 3.372 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.174 -4.348 4.714 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.171 -3.022 3.568 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.245 -2.606 4.117 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.157 -3.869 5.330 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.674 -2.616 6.483 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.551 -1.346 5.282 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.294 -0.705 7.272 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.814 -0.947 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.472 -1.957 8.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.503 -3.014 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.222 -3.087 7.907 1.00 0.00 H new ATOM 811 N ASN B 17 1.011 -3.316 0.963 1.00 0.00 N ATOM 812 CA ASN B 17 0.433 -2.568 -0.152 1.00 0.00 C ATOM 813 C ASN B 17 -0.510 -3.452 -0.957 1.00 0.00 C ATOM 814 O ASN B 17 -1.647 -3.073 -1.233 1.00 0.00 O ATOM 815 CB ASN B 17 1.556 -2.042 -1.056 1.00 0.00 C ATOM 816 CG ASN B 17 1.058 -1.148 -2.182 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.702 -1.630 -3.255 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.057 0.163 -1.967 1.00 0.00 N ATOM 0 H ASN B 17 2.031 -3.297 0.986 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.136 -1.728 0.246 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.270 -1.485 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.093 -2.888 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.755 0.800 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.358 0.532 -1.065 1.00 0.00 H new ATOM 825 N TYR B 18 -0.024 -4.634 -1.319 1.00 0.00 N ATOM 826 CA TYR B 18 -0.809 -5.606 -2.052 1.00 0.00 C ATOM 827 C TYR B 18 -2.121 -5.907 -1.333 1.00 0.00 C ATOM 828 O TYR B 18 -3.188 -5.906 -1.943 1.00 0.00 O ATOM 829 CB TYR B 18 -0.001 -6.890 -2.211 1.00 0.00 C ATOM 830 CG TYR B 18 -0.273 -7.608 -3.501 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.351 -7.203 -4.670 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.150 -8.680 -3.559 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.111 -7.844 -5.861 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.395 -9.330 -4.750 1.00 0.00 C ATOM 835 CZ TYR B 18 -0.763 -8.907 -5.900 1.00 0.00 C ATOM 836 OH TYR B 18 -1.006 -9.550 -7.092 1.00 0.00 O ATOM 0 H TYR B 18 0.926 -4.940 -1.110 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.047 -5.193 -3.032 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.061 -6.652 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.224 -7.557 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.037 -6.370 -4.644 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.648 -9.010 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.606 -7.515 -6.763 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.078 -10.166 -4.782 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.645 -10.278 -6.946 1.00 0.00 H new ATOM 846 N HIS B 19 -2.031 -6.147 -0.029 1.00 0.00 N ATOM 847 CA HIS B 19 -3.203 -6.489 0.774 1.00 0.00 C ATOM 848 C HIS B 19 -4.199 -5.338 0.792 1.00 0.00 C ATOM 849 O HIS B 19 -5.401 -5.545 0.634 1.00 0.00 O ATOM 850 CB HIS B 19 -2.798 -6.845 2.208 1.00 0.00 C ATOM 851 CG HIS B 19 -1.882 -8.025 2.302 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.008 -8.216 3.348 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.700 -9.076 1.468 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.326 -9.327 3.152 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.727 -9.871 2.018 1.00 0.00 N ATOM 0 H HIS B 19 -1.157 -6.111 0.496 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.676 -7.358 0.317 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.312 -5.982 2.663 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.697 -7.048 2.790 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.224 -9.255 0.541 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.433 -9.725 3.809 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.372 -10.739 1.617 1.00 0.00 H new ATOM 864 N LEU B 20 -3.689 -4.125 0.970 1.00 0.00 N ATOM 865 CA LEU B 20 -4.538 -2.944 1.001 1.00 0.00 C ATOM 866 C LEU B 20 -5.217 -2.736 -0.342 1.00 0.00 C ATOM 867 O LEU B 20 -6.416 -2.482 -0.397 1.00 0.00 O ATOM 868 CB LEU B 20 -3.741 -1.697 1.388 1.00 0.00 C ATOM 869 CG LEU B 20 -3.096 -1.740 2.775 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.304 -0.472 3.028 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.153 -1.926 3.853 1.00 0.00 C ATOM 0 H LEU B 20 -2.695 -3.935 1.095 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.303 -3.107 1.760 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.958 -1.541 0.646 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.403 -0.833 1.340 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.415 -2.590 2.810 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.851 -0.517 4.018 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.522 -0.375 2.275 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.969 0.390 2.972 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.674 -1.954 4.832 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.858 -1.096 3.818 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.685 -2.862 3.683 1.00 0.00 H new ATOM 883 N GLU B 21 -4.456 -2.875 -1.424 1.00 0.00 N ATOM 884 CA GLU B 21 -4.996 -2.649 -2.758 1.00 0.00 C ATOM 885 C GLU B 21 -6.129 -3.630 -3.047 1.00 0.00 C ATOM 886 O GLU B 21 -7.128 -3.277 -3.678 1.00 0.00 O ATOM 887 CB GLU B 21 -3.909 -2.782 -3.828 1.00 0.00 C ATOM 888 CG GLU B 21 -4.195 -1.966 -5.080 1.00 0.00 C ATOM 889 CD GLU B 21 -3.273 -2.307 -6.228 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.200 -1.682 -6.344 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.624 -3.188 -7.032 1.00 0.00 O ATOM 0 H GLU B 21 -3.472 -3.141 -1.403 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.385 -1.631 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.954 -2.467 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.805 -3.832 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.227 -2.132 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.099 -0.906 -4.846 1.00 0.00 H new ATOM 898 N ASN B 22 -5.967 -4.861 -2.566 1.00 0.00 N ATOM 899 CA ASN B 22 -6.993 -5.886 -2.719 1.00 0.00 C ATOM 900 C ASN B 22 -8.283 -5.459 -2.037 1.00 0.00 C ATOM 901 O ASN B 22 -9.370 -5.579 -2.611 1.00 0.00 O ATOM 902 CB ASN B 22 -6.536 -7.228 -2.134 1.00 0.00 C ATOM 903 CG ASN B 22 -5.381 -7.850 -2.891 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.196 -7.608 -4.085 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.606 -8.676 -2.207 1.00 0.00 N ATOM 0 H ASN B 22 -5.133 -5.171 -2.067 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.168 -6.010 -3.788 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.243 -7.082 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.377 -7.922 -2.134 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -3.822 -9.139 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.792 -8.850 -1.219 1.00 0.00 H new ATOM 912 N GLU B 23 -8.161 -4.957 -0.811 1.00 0.00 N ATOM 913 CA GLU B 23 -9.320 -4.504 -0.057 1.00 0.00 C ATOM 914 C GLU B 23 -9.942 -3.274 -0.704 1.00 0.00 C ATOM 915 O GLU B 23 -11.164 -3.168 -0.779 1.00 0.00 O ATOM 916 CB GLU B 23 -8.954 -4.210 1.399 1.00 0.00 C ATOM 917 CG GLU B 23 -8.542 -5.447 2.180 1.00 0.00 C ATOM 918 CD GLU B 23 -8.526 -5.222 3.678 1.00 0.00 C ATOM 919 OE1 GLU B 23 -7.430 -5.208 4.271 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.616 -5.071 4.274 1.00 0.00 O ATOM 0 H GLU B 23 -7.272 -4.855 -0.322 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.054 -5.310 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.139 -3.487 1.422 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.807 -3.745 1.893 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -9.228 -6.262 1.948 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.551 -5.762 1.855 1.00 0.00 H new ATOM 927 N VAL B 24 -9.100 -2.356 -1.183 1.00 0.00 N ATOM 928 CA VAL B 24 -9.583 -1.165 -1.881 1.00 0.00 C ATOM 929 C VAL B 24 -10.507 -1.565 -3.029 1.00 0.00 C ATOM 930 O VAL B 24 -11.646 -1.111 -3.119 1.00 0.00 O ATOM 931 CB VAL B 24 -8.430 -0.316 -2.458 1.00 0.00 C ATOM 932 CG1 VAL B 24 -8.972 0.870 -3.242 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.506 0.165 -1.357 1.00 0.00 C ATOM 0 H VAL B 24 -8.085 -2.415 -1.100 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.119 -0.567 -1.144 1.00 0.00 H new ATOM 0 HB VAL B 24 -7.858 -0.950 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.142 1.454 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.589 0.510 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.574 1.497 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.703 0.761 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.069 0.775 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.081 -0.694 -0.837 1.00 0.00 H new ATOM 943 N ALA B 25 -9.998 -2.432 -3.899 1.00 0.00 N ATOM 944 CA ALA B 25 -10.744 -2.896 -5.061 1.00 0.00 C ATOM 945 C ALA B 25 -12.037 -3.601 -4.662 1.00 0.00 C ATOM 946 O ALA B 25 -13.108 -3.288 -5.184 1.00 0.00 O ATOM 947 CB ALA B 25 -9.883 -3.825 -5.898 1.00 0.00 C ATOM 0 H ALA B 25 -9.062 -2.830 -3.818 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.013 -2.019 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.451 -4.166 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -8.993 -3.292 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.586 -4.685 -5.298 1.00 0.00 H new ATOM 953 N ARG B 26 -11.932 -4.548 -3.733 1.00 0.00 N ATOM 954 CA ARG B 26 -13.087 -5.320 -3.290 1.00 0.00 C ATOM 955 C ARG B 26 -14.169 -4.405 -2.727 1.00 0.00 C ATOM 956 O ARG B 26 -15.303 -4.406 -3.203 1.00 0.00 O ATOM 957 CB ARG B 26 -12.671 -6.348 -2.235 1.00 0.00 C ATOM 958 CG ARG B 26 -13.815 -7.225 -1.746 1.00 0.00 C ATOM 959 CD ARG B 26 -13.344 -8.221 -0.701 1.00 0.00 C ATOM 960 NE ARG B 26 -14.427 -9.081 -0.226 1.00 0.00 N ATOM 961 CZ ARG B 26 -14.296 -9.970 0.757 1.00 0.00 C ATOM 962 NH1 ARG B 26 -13.129 -10.123 1.373 1.00 0.00 N ATOM 963 NH2 ARG B 26 -15.335 -10.710 1.121 1.00 0.00 N ATOM 0 H ARG B 26 -11.057 -4.798 -3.273 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.493 -5.845 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.890 -6.985 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.237 -5.825 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.601 -6.598 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.251 -7.760 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.551 -8.839 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.914 -7.682 0.143 1.00 0.00 H new ATOM 0 HE ARG B 26 -15.339 -8.995 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.327 -9.558 1.094 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -13.035 -10.806 2.125 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -16.232 -10.598 0.648 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -15.237 -11.392 1.874 1.00 0.00 H new ATOM 977 N LEU B 27 -13.802 -3.607 -1.732 1.00 0.00 N ATOM 978 CA LEU B 27 -14.748 -2.713 -1.073 1.00 0.00 C ATOM 979 C LEU B 27 -15.367 -1.724 -2.058 1.00 0.00 C ATOM 980 O LEU B 27 -16.508 -1.299 -1.882 1.00 0.00 O ATOM 981 CB LEU B 27 -14.052 -1.955 0.060 1.00 0.00 C ATOM 982 CG LEU B 27 -13.527 -2.826 1.200 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.713 -1.994 2.175 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.675 -3.515 1.920 1.00 0.00 C ATOM 0 H LEU B 27 -12.853 -3.560 -1.362 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.552 -3.324 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.218 -1.392 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.752 -1.228 0.472 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.879 -3.592 0.774 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.347 -2.631 2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.867 -1.547 1.653 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.340 -1.206 2.592 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.280 -4.131 2.728 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.349 -2.764 2.332 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.220 -4.145 1.217 1.00 0.00 H new ATOM 996 N LYS B 28 -14.625 -1.390 -3.105 1.00 0.00 N ATOM 997 CA LYS B 28 -15.063 -0.397 -4.074 1.00 0.00 C ATOM 998 C LYS B 28 -16.165 -0.962 -4.965 1.00 0.00 C ATOM 999 O LYS B 28 -17.209 -0.337 -5.140 1.00 0.00 O ATOM 1000 CB LYS B 28 -13.871 0.070 -4.909 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.156 1.285 -5.775 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.873 1.927 -6.285 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.059 2.528 -5.146 1.00 0.00 C ATOM 1004 NZ LYS B 28 -10.855 3.251 -5.634 1.00 0.00 N ATOM 0 H LYS B 28 -13.711 -1.796 -3.305 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.474 0.460 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.041 0.301 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.546 -0.750 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.777 0.991 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.725 2.016 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.274 1.181 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.117 2.704 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.686 3.214 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.752 1.735 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.288 3.569 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.284 2.615 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.149 4.076 -6.196 1.00 0.00 H new ATOM 1018 N LYS B 29 -15.934 -2.150 -5.521 1.00 0.00 N ATOM 1019 CA LYS B 29 -16.958 -2.836 -6.304 1.00 0.00 C ATOM 1020 C LYS B 29 -18.167 -3.177 -5.429 1.00 0.00 C ATOM 1021 O LYS B 29 -19.301 -3.217 -5.908 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.395 -4.125 -6.936 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.593 -3.942 -8.233 1.00 0.00 C ATOM 1024 CD LYS B 29 -14.486 -2.907 -8.102 1.00 0.00 C ATOM 1025 CE LYS B 29 -13.755 -2.704 -9.420 1.00 0.00 C ATOM 1026 NZ LYS B 29 -13.122 -3.958 -9.909 1.00 0.00 N ATOM 0 H LYS B 29 -15.051 -2.655 -5.444 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.274 -2.163 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.756 -4.617 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.226 -4.800 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.157 -4.898 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.270 -3.644 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.910 -1.959 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.778 -3.225 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.456 -2.336 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.990 -1.937 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.485 -3.739 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.578 -4.396 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.860 -4.617 -10.230 1.00 0.00 H new ATOM 1040 N LEU B 30 -17.918 -3.424 -4.148 1.00 0.00 N ATOM 1041 CA LEU B 30 -18.988 -3.750 -3.210 1.00 0.00 C ATOM 1042 C LEU B 30 -19.851 -2.531 -2.891 1.00 0.00 C ATOM 1043 O LEU B 30 -21.068 -2.571 -3.065 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.423 -4.347 -1.914 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.395 -5.881 -1.843 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -19.806 -6.447 -1.886 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -17.557 -6.469 -2.969 1.00 0.00 C ATOM 0 H LEU B 30 -16.986 -3.405 -3.735 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.619 -4.495 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.407 -3.977 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.013 -3.974 -1.077 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.935 -6.161 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -19.763 -7.535 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -20.377 -6.066 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -20.290 -6.146 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -17.556 -7.556 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -17.979 -6.173 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -16.535 -6.099 -2.893 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.234 -1.457 -2.408 1.00 0.00 N ATOM 1060 CA VAL B 31 -19.977 -0.254 -2.054 1.00 0.00 C ATOM 1061 C VAL B 31 -20.563 0.449 -3.290 1.00 0.00 C ATOM 1062 O VAL B 31 -21.618 1.081 -3.207 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.097 0.734 -1.250 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.050 1.400 -2.132 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.958 1.772 -0.550 1.00 0.00 C ATOM 0 H VAL B 31 -18.228 -1.395 -2.254 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.808 -0.576 -1.426 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.565 0.160 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.452 2.086 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.402 0.638 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.545 1.953 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.320 2.456 0.009 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.528 2.331 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.644 1.274 0.135 1.00 0.00 H new ATOM 1075 N GLY B 32 -19.890 0.331 -4.431 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.370 0.959 -5.643 1.00 0.00 C ATOM 1077 C GLY B 32 -19.390 1.983 -6.175 1.00 0.00 C ATOM 1078 O GLY B 32 -18.802 2.746 -5.405 1.00 0.00 O ATOM 0 H GLY B 32 -19.019 -0.190 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.546 0.196 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.328 1.441 -5.447 1.00 0.00 H new ATOM 1082 N GLU B 33 -19.207 1.997 -7.487 1.00 0.00 N ATOM 1083 CA GLU B 33 -18.291 2.930 -8.125 1.00 0.00 C ATOM 1084 C GLU B 33 -18.682 3.125 -9.586 1.00 0.00 C ATOM 1085 O GLU B 33 -19.217 4.203 -9.917 1.00 0.00 O ATOM 1086 CB GLU B 33 -16.848 2.422 -8.021 1.00 0.00 C ATOM 1087 CG GLU B 33 -15.808 3.427 -8.491 1.00 0.00 C ATOM 1088 CD GLU B 33 -15.791 4.684 -7.644 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -15.083 4.707 -6.620 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -16.490 5.655 -7.999 1.00 0.00 O ATOM 1091 OXT GLU B 33 -18.483 2.187 -10.389 1.00 0.00 O ATOM 0 H GLU B 33 -19.684 1.369 -8.134 1.00 0.00 H new ATOM 0 HA GLU B 33 -18.354 3.890 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -16.640 2.156 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -16.750 1.510 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -14.822 2.963 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -16.009 3.694 -9.528 1.00 0.00 H new TER 1098 GLU B 33