USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 445 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 45 LYS NZ :NH3+ 149:sc= 0.178 (180deg=-0.739) USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= -0.505 F(o=-1.3!,f=0.026) USER MOD Set 1.3: A 54 TYR OH : rot 150:sc= 0.353 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 19 SER OG : rot 124:sc= 0.0505 USER MOD Set 2.3: A 21 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.35 K(o=-1.4,f=-6.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.187 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 60:sc= 0.804 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0593 (180deg=-0.596) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.11) USER MOD Single : A 32 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 63:sc= 1.14 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.453 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.388 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 0.113 12.984 -9.217 1.00 1.00 N ATOM 21 CA LYS A 2 0.919 11.907 -9.832 1.00 1.00 C ATOM 22 C LYS A 2 0.665 10.578 -9.110 1.00 1.00 C ATOM 23 O LYS A 2 0.307 10.537 -7.934 1.00 1.00 O ATOM 24 CB LYS A 2 2.418 12.267 -9.752 1.00 1.00 C ATOM 25 CG LYS A 2 2.706 13.541 -10.582 1.00 1.00 C ATOM 26 CD LYS A 2 4.212 13.894 -10.518 1.00 1.00 C ATOM 27 CE LYS A 2 4.491 15.170 -11.334 1.00 1.00 C ATOM 28 NZ LYS A 2 5.939 15.504 -11.265 1.00 1.00 N ATOM 0 HA LYS A 2 0.629 11.801 -10.877 1.00 1.00 H new ATOM 0 HB2 LYS A 2 2.706 12.428 -8.713 1.00 1.00 H new ATOM 0 HB3 LYS A 2 3.019 11.438 -10.125 1.00 1.00 H new ATOM 0 HG2 LYS A 2 2.406 13.384 -11.618 1.00 1.00 H new ATOM 0 HG3 LYS A 2 2.114 14.373 -10.201 1.00 1.00 H new ATOM 0 HD2 LYS A 2 4.515 14.042 -9.482 1.00 1.00 H new ATOM 0 HD3 LYS A 2 4.804 13.066 -10.908 1.00 1.00 H new ATOM 0 HE2 LYS A 2 4.191 15.022 -12.372 1.00 1.00 H new ATOM 0 HE3 LYS A 2 3.898 15.998 -10.946 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 6.123 16.366 -11.817 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 6.212 15.663 -10.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 6.496 14.717 -11.656 1.00 1.00 H new ATOM 42 N THR A 3 0.859 9.488 -9.847 1.00 1.00 N ATOM 43 CA THR A 3 0.656 8.123 -9.312 1.00 1.00 C ATOM 44 C THR A 3 1.933 7.299 -9.463 1.00 1.00 C ATOM 45 O THR A 3 2.675 7.433 -10.437 1.00 1.00 O ATOM 46 CB THR A 3 -0.491 7.430 -10.079 1.00 1.00 C ATOM 47 OG1 THR A 3 -0.119 7.281 -11.444 1.00 1.00 O ATOM 48 CG2 THR A 3 -1.773 8.279 -9.987 1.00 1.00 C ATOM 0 H THR A 3 1.158 9.512 -10.822 1.00 1.00 H new ATOM 0 HA THR A 3 0.401 8.196 -8.255 1.00 1.00 H new ATOM 0 HB THR A 3 -0.679 6.451 -9.638 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.844 6.840 -11.934 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.577 7.783 -10.531 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.059 8.394 -8.941 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.591 9.261 -10.424 1.00 1.00 H new ATOM 56 N GLY A 4 2.176 6.439 -8.480 1.00 1.00 N ATOM 57 CA GLY A 4 3.358 5.569 -8.468 1.00 1.00 C ATOM 58 C GLY A 4 3.009 4.196 -9.039 1.00 1.00 C ATOM 59 O GLY A 4 1.870 3.738 -8.944 1.00 1.00 O ATOM 0 H GLY A 4 1.566 6.322 -7.671 1.00 1.00 H new ATOM 0 HA2 GLY A 4 4.158 6.022 -9.054 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.730 5.463 -7.449 1.00 1.00 H new ATOM 63 N ILE A 5 4.007 3.537 -9.620 1.00 1.00 N ATOM 64 CA ILE A 5 3.811 2.191 -10.218 1.00 1.00 C ATOM 65 C ILE A 5 4.395 1.125 -9.282 1.00 1.00 C ATOM 66 O ILE A 5 5.567 1.175 -8.910 1.00 1.00 O ATOM 67 CB ILE A 5 4.516 2.121 -11.615 1.00 1.00 C ATOM 68 CG1 ILE A 5 4.084 3.351 -12.533 1.00 1.00 C ATOM 69 CG2 ILE A 5 4.149 0.786 -12.332 1.00 1.00 C ATOM 70 CD1 ILE A 5 5.109 4.495 -12.466 1.00 1.00 C ATOM 0 H ILE A 5 4.958 3.897 -9.697 1.00 1.00 H new ATOM 0 HA ILE A 5 2.745 2.007 -10.352 1.00 1.00 H new ATOM 0 HB ILE A 5 5.593 2.166 -11.453 1.00 1.00 H new ATOM 0 HG12 ILE A 5 3.979 3.016 -13.565 1.00 1.00 H new ATOM 0 HG13 ILE A 5 3.108 3.717 -12.216 1.00 1.00 H new ATOM 0 HG21 ILE A 5 4.644 0.746 -13.302 1.00 1.00 H new ATOM 0 HG22 ILE A 5 4.477 -0.056 -11.723 1.00 1.00 H new ATOM 0 HG23 ILE A 5 3.069 0.733 -12.473 1.00 1.00 H new ATOM 0 HD11 ILE A 5 4.781 5.315 -13.104 1.00 1.00 H new ATOM 0 HD12 ILE A 5 5.195 4.847 -11.438 1.00 1.00 H new ATOM 0 HD13 ILE A 5 6.079 4.135 -12.808 1.00 1.00 H new ATOM 82 N VAL A 6 3.559 0.159 -8.916 1.00 1.00 N ATOM 83 CA VAL A 6 3.987 -0.921 -8.028 1.00 1.00 C ATOM 84 C VAL A 6 5.035 -1.797 -8.738 1.00 1.00 C ATOM 85 O VAL A 6 4.755 -2.390 -9.780 1.00 1.00 O ATOM 86 CB VAL A 6 2.763 -1.790 -7.634 1.00 1.00 C ATOM 87 CG1 VAL A 6 3.163 -2.808 -6.531 1.00 1.00 C ATOM 88 CG2 VAL A 6 1.605 -0.897 -7.118 1.00 1.00 C ATOM 0 H VAL A 6 2.586 0.100 -9.217 1.00 1.00 H new ATOM 0 HA VAL A 6 4.429 -0.490 -7.129 1.00 1.00 H new ATOM 0 HB VAL A 6 2.427 -2.329 -8.520 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.297 -3.412 -6.262 1.00 1.00 H new ATOM 0 HG12 VAL A 6 3.956 -3.456 -6.904 1.00 1.00 H new ATOM 0 HG13 VAL A 6 3.518 -2.271 -5.651 1.00 1.00 H new ATOM 0 HG21 VAL A 6 0.755 -1.524 -6.847 1.00 1.00 H new ATOM 0 HG22 VAL A 6 1.938 -0.339 -6.243 1.00 1.00 H new ATOM 0 HG23 VAL A 6 1.306 -0.200 -7.901 1.00 1.00 H new ATOM 98 N ASN A 7 6.227 -1.878 -8.157 1.00 1.00 N ATOM 99 CA ASN A 7 7.305 -2.690 -8.731 1.00 1.00 C ATOM 100 C ASN A 7 6.874 -4.164 -8.831 1.00 1.00 C ATOM 101 O ASN A 7 6.867 -4.892 -7.838 1.00 1.00 O ATOM 102 CB ASN A 7 8.567 -2.555 -7.855 1.00 1.00 C ATOM 103 CG ASN A 7 8.271 -2.955 -6.409 1.00 1.00 C ATOM 104 OD1 ASN A 7 7.164 -2.739 -5.912 1.00 1.00 O ATOM 105 ND2 ASN A 7 9.209 -3.533 -5.704 1.00 1.00 N ATOM 0 H ASN A 7 6.475 -1.396 -7.293 1.00 1.00 H new ATOM 0 HA ASN A 7 7.526 -2.334 -9.737 1.00 1.00 H new ATOM 0 HB2 ASN A 7 9.362 -3.184 -8.255 1.00 1.00 H new ATOM 0 HB3 ASN A 7 8.928 -1.527 -7.886 1.00 1.00 H new ATOM 0 HD21 ASN A 7 9.026 -3.807 -4.739 1.00 1.00 H new ATOM 0 HD22 ASN A 7 10.124 -3.710 -6.120 1.00 1.00 H new ATOM 112 N VAL A 8 6.515 -4.584 -10.039 1.00 1.00 N ATOM 113 CA VAL A 8 6.079 -5.964 -10.285 1.00 1.00 C ATOM 114 C VAL A 8 7.220 -6.948 -10.018 1.00 1.00 C ATOM 115 O VAL A 8 7.050 -8.163 -10.113 1.00 1.00 O ATOM 116 CB VAL A 8 5.563 -6.084 -11.748 1.00 1.00 C ATOM 117 CG1 VAL A 8 6.676 -5.714 -12.759 1.00 1.00 C ATOM 118 CG2 VAL A 8 5.036 -7.525 -12.048 1.00 1.00 C ATOM 0 H VAL A 8 6.516 -3.991 -10.869 1.00 1.00 H new ATOM 0 HA VAL A 8 5.267 -6.215 -9.602 1.00 1.00 H new ATOM 0 HB VAL A 8 4.736 -5.382 -11.859 1.00 1.00 H new ATOM 0 HG11 VAL A 8 6.290 -5.806 -13.774 1.00 1.00 H new ATOM 0 HG12 VAL A 8 6.999 -4.688 -12.585 1.00 1.00 H new ATOM 0 HG13 VAL A 8 7.523 -6.388 -12.630 1.00 1.00 H new ATOM 0 HG21 VAL A 8 4.683 -7.576 -13.078 1.00 1.00 H new ATOM 0 HG22 VAL A 8 5.842 -8.244 -11.905 1.00 1.00 H new ATOM 0 HG23 VAL A 8 4.215 -7.761 -11.371 1.00 1.00 H new ATOM 128 N SER A 9 8.384 -6.404 -9.681 1.00 1.00 N ATOM 129 CA SER A 9 9.568 -7.236 -9.399 1.00 1.00 C ATOM 130 C SER A 9 9.217 -8.423 -8.476 1.00 1.00 C ATOM 131 O SER A 9 9.422 -9.586 -8.822 1.00 1.00 O ATOM 132 CB SER A 9 10.645 -6.364 -8.739 1.00 1.00 C ATOM 133 OG SER A 9 10.942 -5.275 -9.596 1.00 1.00 O ATOM 0 H SER A 9 8.542 -5.400 -9.594 1.00 1.00 H new ATOM 0 HA SER A 9 9.938 -7.645 -10.339 1.00 1.00 H new ATOM 0 HB2 SER A 9 10.295 -5.999 -7.773 1.00 1.00 H new ATOM 0 HB3 SER A 9 11.543 -6.952 -8.551 1.00 1.00 H new ATOM 0 HG SER A 9 11.628 -4.711 -9.182 1.00 1.00 H new ATOM 139 N SER A 10 8.665 -8.101 -7.311 1.00 1.00 N ATOM 140 CA SER A 10 8.259 -9.128 -6.330 1.00 1.00 C ATOM 141 C SER A 10 7.045 -8.649 -5.533 1.00 1.00 C ATOM 142 O SER A 10 6.549 -7.538 -5.722 1.00 1.00 O ATOM 143 CB SER A 10 9.425 -9.420 -5.372 1.00 1.00 C ATOM 144 OG SER A 10 10.540 -9.885 -6.122 1.00 1.00 O ATOM 0 H SER A 10 8.484 -7.142 -7.014 1.00 1.00 H new ATOM 0 HA SER A 10 7.992 -10.039 -6.865 1.00 1.00 H new ATOM 0 HB2 SER A 10 9.693 -8.519 -4.820 1.00 1.00 H new ATOM 0 HB3 SER A 10 9.129 -10.168 -4.636 1.00 1.00 H new ATOM 0 HG SER A 10 11.287 -10.071 -5.516 1.00 1.00 H new ATOM 150 N SER A 11 6.584 -9.503 -4.625 1.00 1.00 N ATOM 151 CA SER A 11 5.422 -9.172 -3.782 1.00 1.00 C ATOM 152 C SER A 11 5.866 -8.368 -2.562 1.00 1.00 C ATOM 153 O SER A 11 6.911 -8.640 -1.971 1.00 1.00 O ATOM 154 CB SER A 11 4.734 -10.456 -3.316 1.00 1.00 C ATOM 155 OG SER A 11 3.637 -10.108 -2.480 1.00 1.00 O ATOM 0 H SER A 11 6.987 -10.423 -4.449 1.00 1.00 H new ATOM 0 HA SER A 11 4.724 -8.576 -4.371 1.00 1.00 H new ATOM 0 HB2 SER A 11 4.387 -11.032 -4.174 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.438 -11.086 -2.773 1.00 1.00 H new ATOM 0 HG SER A 11 3.186 -10.923 -2.176 1.00 1.00 H new ATOM 161 N LEU A 12 5.067 -7.372 -2.196 1.00 1.00 N ATOM 162 CA LEU A 12 5.360 -6.494 -1.035 1.00 1.00 C ATOM 163 C LEU A 12 4.351 -6.747 0.074 1.00 1.00 C ATOM 164 O LEU A 12 3.155 -6.936 -0.156 1.00 1.00 O ATOM 165 CB LEU A 12 5.322 -4.988 -1.476 1.00 1.00 C ATOM 166 CG LEU A 12 6.728 -4.483 -1.979 1.00 1.00 C ATOM 167 CD1 LEU A 12 7.780 -4.396 -0.799 1.00 1.00 C ATOM 168 CD2 LEU A 12 7.261 -5.401 -3.125 1.00 1.00 C ATOM 0 H LEU A 12 4.201 -7.139 -2.682 1.00 1.00 H new ATOM 0 HA LEU A 12 6.358 -6.721 -0.659 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.586 -4.862 -2.270 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.995 -4.373 -0.638 1.00 1.00 H new ATOM 0 HG LEU A 12 6.594 -3.474 -2.370 1.00 1.00 H new ATOM 0 HD11 LEU A 12 8.735 -4.044 -1.188 1.00 1.00 H new ATOM 0 HD12 LEU A 12 7.419 -3.701 -0.040 1.00 1.00 H new ATOM 0 HD13 LEU A 12 7.911 -5.383 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 12 8.232 -5.038 -3.460 1.00 1.00 H new ATOM 0 HD22 LEU A 12 7.363 -6.422 -2.756 1.00 1.00 H new ATOM 0 HD23 LEU A 12 6.560 -5.385 -3.960 1.00 1.00 H new ATOM 180 N ASN A 13 4.858 -6.736 1.302 1.00 1.00 N ATOM 181 CA ASN A 13 4.024 -6.954 2.469 1.00 1.00 C ATOM 182 C ASN A 13 3.339 -5.642 2.859 1.00 1.00 C ATOM 183 O ASN A 13 3.980 -4.609 3.057 1.00 1.00 O ATOM 184 CB ASN A 13 4.896 -7.446 3.635 1.00 1.00 C ATOM 185 CG ASN A 13 5.596 -8.748 3.258 1.00 1.00 C ATOM 186 OD1 ASN A 13 4.933 -9.747 2.993 1.00 1.00 O ATOM 187 ND2 ASN A 13 6.901 -8.800 3.219 1.00 1.00 N ATOM 0 H ASN A 13 5.844 -6.578 1.511 1.00 1.00 H new ATOM 0 HA ASN A 13 3.266 -7.704 2.241 1.00 1.00 H new ATOM 0 HB2 ASN A 13 5.636 -6.688 3.890 1.00 1.00 H new ATOM 0 HB3 ASN A 13 4.279 -7.600 4.520 1.00 1.00 H new ATOM 0 HD21 ASN A 13 7.369 -9.671 2.968 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.451 -7.970 3.439 1.00 1.00 H new ATOM 194 N VAL A 14 2.018 -5.707 2.979 1.00 1.00 N ATOM 195 CA VAL A 14 1.215 -4.517 3.346 1.00 1.00 C ATOM 196 C VAL A 14 0.813 -4.584 4.838 1.00 1.00 C ATOM 197 O VAL A 14 0.223 -5.576 5.265 1.00 1.00 O ATOM 198 CB VAL A 14 -0.066 -4.455 2.446 1.00 1.00 C ATOM 199 CG1 VAL A 14 -0.751 -3.058 2.554 1.00 1.00 C ATOM 200 CG2 VAL A 14 0.304 -4.735 0.967 1.00 1.00 C ATOM 0 H VAL A 14 1.472 -6.556 2.832 1.00 1.00 H new ATOM 0 HA VAL A 14 1.811 -3.619 3.187 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.762 -5.217 2.796 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -1.638 -3.038 1.921 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -1.039 -2.873 3.589 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.055 -2.285 2.228 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -0.595 -4.689 0.352 1.00 1.00 H new ATOM 0 HG22 VAL A 14 1.018 -3.987 0.623 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.749 -5.726 0.885 1.00 1.00 H new ATOM 210 N ARG A 15 1.122 -3.540 5.601 1.00 1.00 N ATOM 211 CA ARG A 15 0.762 -3.495 7.042 1.00 1.00 C ATOM 212 C ARG A 15 -0.612 -2.818 7.228 1.00 1.00 C ATOM 213 O ARG A 15 -1.259 -2.397 6.268 1.00 1.00 O ATOM 214 CB ARG A 15 1.837 -2.720 7.848 1.00 1.00 C ATOM 215 CG ARG A 15 3.190 -3.480 7.825 1.00 1.00 C ATOM 216 CD ARG A 15 4.237 -2.757 8.701 1.00 1.00 C ATOM 217 NE ARG A 15 5.523 -3.458 8.618 1.00 1.00 N ATOM 218 CZ ARG A 15 6.618 -3.018 9.253 1.00 1.00 C ATOM 219 NH1 ARG A 15 6.581 -1.929 9.977 1.00 1.00 N ATOM 220 NH2 ARG A 15 7.735 -3.684 9.156 1.00 1.00 N ATOM 0 H ARG A 15 1.616 -2.714 5.264 1.00 1.00 H new ATOM 0 HA ARG A 15 0.711 -4.519 7.413 1.00 1.00 H new ATOM 0 HB2 ARG A 15 1.967 -1.723 7.427 1.00 1.00 H new ATOM 0 HB3 ARG A 15 1.504 -2.590 8.878 1.00 1.00 H new ATOM 0 HG2 ARG A 15 3.047 -4.498 8.186 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.554 -3.554 6.800 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.353 -1.725 8.369 1.00 1.00 H new ATOM 0 HD3 ARG A 15 3.897 -2.722 9.736 1.00 1.00 H new ATOM 0 HE ARG A 15 5.586 -4.308 8.058 1.00 1.00 H new ATOM 0 HH11 ARG A 15 5.711 -1.403 10.064 1.00 1.00 H new ATOM 0 HH12 ARG A 15 7.422 -1.606 10.455 1.00 1.00 H new ATOM 0 HH21 ARG A 15 7.773 -4.537 8.598 1.00 1.00 H new ATOM 0 HH22 ARG A 15 8.570 -3.352 9.638 1.00 1.00 H new ATOM 234 N SER A 16 -1.040 -2.730 8.484 1.00 1.00 N ATOM 235 CA SER A 16 -2.345 -2.100 8.827 1.00 1.00 C ATOM 236 C SER A 16 -2.151 -0.622 9.144 1.00 1.00 C ATOM 237 O SER A 16 -3.097 0.163 9.062 1.00 1.00 O ATOM 238 CB SER A 16 -2.988 -2.827 10.047 1.00 1.00 C ATOM 239 OG SER A 16 -3.842 -3.864 9.579 1.00 1.00 O ATOM 0 H SER A 16 -0.518 -3.079 9.288 1.00 1.00 H new ATOM 0 HA SER A 16 -3.012 -2.191 7.970 1.00 1.00 H new ATOM 0 HB2 SER A 16 -2.211 -3.242 10.689 1.00 1.00 H new ATOM 0 HB3 SER A 16 -3.555 -2.118 10.650 1.00 1.00 H new ATOM 0 HG SER A 16 -4.247 -4.324 10.344 1.00 1.00 H new ATOM 245 N SER A 17 -0.932 -0.250 9.523 1.00 1.00 N ATOM 246 CA SER A 17 -0.619 1.137 9.873 1.00 1.00 C ATOM 247 C SER A 17 0.869 1.274 10.188 1.00 1.00 C ATOM 248 O SER A 17 1.643 0.318 10.127 1.00 1.00 O ATOM 249 CB SER A 17 -1.442 1.578 11.111 1.00 1.00 C ATOM 250 OG SER A 17 -1.224 0.652 12.169 1.00 1.00 O ATOM 0 H SER A 17 -0.141 -0.890 9.597 1.00 1.00 H new ATOM 0 HA SER A 17 -0.874 1.772 9.025 1.00 1.00 H new ATOM 0 HB2 SER A 17 -1.146 2.580 11.422 1.00 1.00 H new ATOM 0 HB3 SER A 17 -2.502 1.621 10.862 1.00 1.00 H new ATOM 0 HG SER A 17 -1.740 0.926 12.955 1.00 1.00 H new ATOM 256 N ALA A 18 1.252 2.492 10.557 1.00 1.00 N ATOM 257 CA ALA A 18 2.649 2.783 10.911 1.00 1.00 C ATOM 258 C ALA A 18 2.909 2.373 12.359 1.00 1.00 C ATOM 259 O ALA A 18 2.874 3.207 13.264 1.00 1.00 O ATOM 260 CB ALA A 18 2.921 4.287 10.724 1.00 1.00 C ATOM 0 H ALA A 18 0.624 3.293 10.621 1.00 1.00 H new ATOM 0 HA ALA A 18 3.317 2.218 10.262 1.00 1.00 H new ATOM 0 HB1 ALA A 18 3.956 4.505 10.986 1.00 1.00 H new ATOM 0 HB2 ALA A 18 2.744 4.562 9.684 1.00 1.00 H new ATOM 0 HB3 ALA A 18 2.255 4.860 11.369 1.00 1.00 H new ATOM 266 N SER A 19 3.174 1.087 12.570 1.00 1.00 N ATOM 267 CA SER A 19 3.443 0.565 13.913 1.00 1.00 C ATOM 268 C SER A 19 4.018 -0.849 13.828 1.00 1.00 C ATOM 269 O SER A 19 3.789 -1.581 12.865 1.00 1.00 O ATOM 270 CB SER A 19 2.139 0.538 14.730 1.00 1.00 C ATOM 271 OG SER A 19 1.176 -0.242 14.038 1.00 1.00 O ATOM 0 H SER A 19 3.209 0.385 11.831 1.00 1.00 H new ATOM 0 HA SER A 19 4.169 1.215 14.402 1.00 1.00 H new ATOM 0 HB2 SER A 19 2.323 0.118 15.719 1.00 1.00 H new ATOM 0 HB3 SER A 19 1.766 1.552 14.878 1.00 1.00 H new ATOM 0 HG SER A 19 0.855 -0.960 14.623 1.00 1.00 H new ATOM 277 N THR A 20 4.768 -1.222 14.859 1.00 1.00 N ATOM 278 CA THR A 20 5.377 -2.558 14.927 1.00 1.00 C ATOM 279 C THR A 20 4.327 -3.611 15.271 1.00 1.00 C ATOM 280 O THR A 20 4.485 -4.785 14.930 1.00 1.00 O ATOM 281 CB THR A 20 6.504 -2.567 15.989 1.00 1.00 C ATOM 282 OG1 THR A 20 7.383 -1.487 15.728 1.00 1.00 O ATOM 283 CG2 THR A 20 7.299 -3.889 15.946 1.00 1.00 C ATOM 0 H THR A 20 4.972 -0.625 15.660 1.00 1.00 H new ATOM 0 HA THR A 20 5.799 -2.799 13.951 1.00 1.00 H new ATOM 0 HB THR A 20 6.055 -2.470 16.977 1.00 1.00 H new ATOM 0 HG1 THR A 20 8.101 -1.481 16.395 1.00 1.00 H new ATOM 0 HG21 THR A 20 8.083 -3.867 16.702 1.00 1.00 H new ATOM 0 HG22 THR A 20 6.627 -4.724 16.144 1.00 1.00 H new ATOM 0 HG23 THR A 20 7.749 -4.011 14.961 1.00 1.00 H new ATOM 291 N SER A 21 3.257 -3.191 15.938 1.00 1.00 N ATOM 292 CA SER A 21 2.208 -4.139 16.344 1.00 1.00 C ATOM 293 C SER A 21 1.553 -4.765 15.117 1.00 1.00 C ATOM 294 O SER A 21 1.008 -5.867 15.186 1.00 1.00 O ATOM 295 CB SER A 21 1.138 -3.392 17.157 1.00 1.00 C ATOM 296 OG SER A 21 0.500 -2.433 16.324 1.00 1.00 O ATOM 0 H SER A 21 3.088 -2.222 16.208 1.00 1.00 H new ATOM 0 HA SER A 21 2.659 -4.927 16.948 1.00 1.00 H new ATOM 0 HB2 SER A 21 0.404 -4.097 17.548 1.00 1.00 H new ATOM 0 HB3 SER A 21 1.595 -2.899 18.015 1.00 1.00 H new ATOM 0 HG SER A 21 -0.184 -1.956 16.839 1.00 1.00 H new ATOM 302 N SER A 22 1.649 -4.074 13.986 1.00 1.00 N ATOM 303 CA SER A 22 1.094 -4.573 12.717 1.00 1.00 C ATOM 304 C SER A 22 2.196 -5.248 11.905 1.00 1.00 C ATOM 305 O SER A 22 3.332 -4.774 11.872 1.00 1.00 O ATOM 306 CB SER A 22 0.531 -3.402 11.908 1.00 1.00 C ATOM 307 OG SER A 22 0.195 -3.858 10.608 1.00 1.00 O ATOM 0 H SER A 22 2.105 -3.165 13.914 1.00 1.00 H new ATOM 0 HA SER A 22 0.302 -5.290 12.932 1.00 1.00 H new ATOM 0 HB2 SER A 22 -0.350 -2.992 12.402 1.00 1.00 H new ATOM 0 HB3 SER A 22 1.265 -2.599 11.847 1.00 1.00 H new ATOM 0 HG SER A 22 -0.477 -4.569 10.674 1.00 1.00 H new ATOM 313 N LYS A 23 1.849 -6.342 11.234 1.00 1.00 N ATOM 314 CA LYS A 23 2.827 -7.074 10.409 1.00 1.00 C ATOM 315 C LYS A 23 2.095 -8.018 9.436 1.00 1.00 C ATOM 316 O LYS A 23 1.501 -9.025 9.824 1.00 1.00 O ATOM 317 CB LYS A 23 3.822 -7.883 11.320 1.00 1.00 C ATOM 318 CG LYS A 23 5.257 -7.883 10.728 1.00 1.00 C ATOM 319 CD LYS A 23 6.234 -8.613 11.673 1.00 1.00 C ATOM 320 CE LYS A 23 7.661 -8.547 11.089 1.00 1.00 C ATOM 321 NZ LYS A 23 7.669 -9.123 9.708 1.00 1.00 N ATOM 0 H LYS A 23 0.912 -6.744 11.239 1.00 1.00 H new ATOM 0 HA LYS A 23 3.405 -6.354 9.830 1.00 1.00 H new ATOM 0 HB2 LYS A 23 3.839 -7.448 12.319 1.00 1.00 H new ATOM 0 HB3 LYS A 23 3.470 -8.909 11.425 1.00 1.00 H new ATOM 0 HG2 LYS A 23 5.254 -8.370 9.753 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.592 -6.858 10.571 1.00 1.00 H new ATOM 0 HD2 LYS A 23 6.212 -8.154 12.661 1.00 1.00 H new ATOM 0 HD3 LYS A 23 5.928 -9.652 11.798 1.00 1.00 H new ATOM 0 HE2 LYS A 23 8.006 -7.514 11.064 1.00 1.00 H new ATOM 0 HE3 LYS A 23 8.351 -9.099 11.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 8.642 -9.375 9.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 7.072 -9.974 9.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 7.298 -8.420 9.037 1.00 1.00 H new ATOM 335 N VAL A 24 2.153 -7.662 8.156 1.00 1.00 N ATOM 336 CA VAL A 24 1.514 -8.435 7.095 1.00 1.00 C ATOM 337 C VAL A 24 -0.009 -8.475 7.309 1.00 1.00 C ATOM 338 O VAL A 24 -0.492 -8.663 8.428 1.00 1.00 O ATOM 339 CB VAL A 24 2.092 -9.872 7.026 1.00 1.00 C ATOM 340 CG1 VAL A 24 1.585 -10.596 5.754 1.00 1.00 C ATOM 341 CG2 VAL A 24 3.642 -9.844 7.026 1.00 1.00 C ATOM 0 H VAL A 24 2.643 -6.831 7.825 1.00 1.00 H new ATOM 0 HA VAL A 24 1.722 -7.945 6.144 1.00 1.00 H new ATOM 0 HB VAL A 24 1.752 -10.414 7.908 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.999 -11.604 5.719 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.497 -10.652 5.776 1.00 1.00 H new ATOM 0 HG13 VAL A 24 1.902 -10.043 4.870 1.00 1.00 H new ATOM 0 HG21 VAL A 24 4.024 -10.864 6.977 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.996 -9.282 6.162 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.997 -9.367 7.939 1.00 1.00 H new ATOM 351 N ILE A 25 -0.753 -8.275 6.227 1.00 1.00 N ATOM 352 CA ILE A 25 -2.230 -8.273 6.288 1.00 1.00 C ATOM 353 C ILE A 25 -2.816 -8.697 4.946 1.00 1.00 C ATOM 354 O ILE A 25 -4.001 -9.023 4.858 1.00 1.00 O ATOM 355 CB ILE A 25 -2.787 -6.839 6.644 1.00 1.00 C ATOM 356 CG1 ILE A 25 -2.572 -5.771 5.455 1.00 1.00 C ATOM 357 CG2 ILE A 25 -2.119 -6.317 7.942 1.00 1.00 C ATOM 358 CD1 ILE A 25 -3.905 -5.375 4.810 1.00 1.00 C ATOM 0 H ILE A 25 -0.370 -8.112 5.296 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.523 -8.977 7.067 1.00 1.00 H new ATOM 0 HB ILE A 25 -3.862 -6.945 6.791 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -2.078 -4.882 5.847 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -1.912 -6.195 4.698 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.509 -5.327 8.180 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.337 -7.000 8.763 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.040 -6.256 7.797 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -3.724 -4.654 4.013 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -4.386 -6.261 4.396 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -4.555 -4.928 5.562 1.00 1.00 H new ATOM 370 N GLY A 26 -1.999 -8.646 3.900 1.00 1.00 N ATOM 371 CA GLY A 26 -2.437 -8.986 2.557 1.00 1.00 C ATOM 372 C GLY A 26 -1.450 -8.455 1.528 1.00 1.00 C ATOM 373 O GLY A 26 -0.331 -8.050 1.842 1.00 1.00 O ATOM 0 H GLY A 26 -1.019 -8.369 3.961 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -2.527 -10.068 2.460 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -3.426 -8.566 2.373 1.00 1.00 H new ATOM 377 N SER A 27 -1.888 -8.471 0.272 1.00 1.00 N ATOM 378 CA SER A 27 -1.042 -7.981 -0.841 1.00 1.00 C ATOM 379 C SER A 27 -1.903 -7.299 -1.914 1.00 1.00 C ATOM 380 O SER A 27 -2.987 -7.786 -2.237 1.00 1.00 O ATOM 381 CB SER A 27 -0.298 -9.161 -1.471 1.00 1.00 C ATOM 382 OG SER A 27 -1.241 -10.024 -2.089 1.00 1.00 O ATOM 0 H SER A 27 -2.808 -8.810 -0.010 1.00 1.00 H new ATOM 0 HA SER A 27 -0.330 -7.256 -0.445 1.00 1.00 H new ATOM 0 HB2 SER A 27 0.423 -8.803 -2.206 1.00 1.00 H new ATOM 0 HB3 SER A 27 0.265 -9.701 -0.710 1.00 1.00 H new ATOM 0 HG SER A 27 -0.773 -10.782 -2.497 1.00 1.00 H new ATOM 388 N LEU A 28 -1.406 -6.201 -2.472 1.00 1.00 N ATOM 389 CA LEU A 28 -2.149 -5.452 -3.525 1.00 1.00 C ATOM 390 C LEU A 28 -1.553 -5.783 -4.904 1.00 1.00 C ATOM 391 O LEU A 28 -0.362 -5.592 -5.155 1.00 1.00 O ATOM 392 CB LEU A 28 -2.049 -3.915 -3.250 1.00 1.00 C ATOM 393 CG LEU A 28 -0.543 -3.376 -3.248 1.00 1.00 C ATOM 394 CD1 LEU A 28 -0.225 -2.609 -4.560 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.295 -2.408 -2.044 1.00 1.00 C ATOM 0 H LEU A 28 -0.501 -5.798 -2.228 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.199 -5.745 -3.509 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -2.620 -3.378 -4.008 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -2.510 -3.693 -2.287 1.00 1.00 H new ATOM 0 HG LEU A 28 0.106 -4.247 -3.162 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.805 -2.253 -4.533 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -0.356 -3.276 -5.412 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.900 -1.759 -4.657 1.00 1.00 H new ATOM 0 HD21 LEU A 28 0.736 -2.056 -2.066 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -0.971 -1.556 -2.117 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -0.478 -2.937 -1.108 1.00 1.00 H new ATOM 407 N SER A 29 -2.405 -6.288 -5.788 1.00 1.00 N ATOM 408 CA SER A 29 -1.978 -6.686 -7.152 1.00 1.00 C ATOM 409 C SER A 29 -1.069 -5.620 -7.779 1.00 1.00 C ATOM 410 O SER A 29 -1.364 -4.426 -7.721 1.00 1.00 O ATOM 411 CB SER A 29 -3.222 -6.878 -8.040 1.00 1.00 C ATOM 412 OG SER A 29 -4.059 -7.870 -7.462 1.00 1.00 O ATOM 0 H SER A 29 -3.396 -6.437 -5.599 1.00 1.00 H new ATOM 0 HA SER A 29 -1.418 -7.618 -7.079 1.00 1.00 H new ATOM 0 HB2 SER A 29 -3.765 -5.937 -8.135 1.00 1.00 H new ATOM 0 HB3 SER A 29 -2.924 -7.177 -9.045 1.00 1.00 H new ATOM 0 HG SER A 29 -4.853 -7.995 -8.022 1.00 1.00 H new ATOM 418 N GLY A 30 0.056 -6.062 -8.331 1.00 1.00 N ATOM 419 CA GLY A 30 1.025 -5.162 -8.944 1.00 1.00 C ATOM 420 C GLY A 30 0.470 -4.531 -10.212 1.00 1.00 C ATOM 421 O GLY A 30 -0.534 -4.986 -10.758 1.00 1.00 O ATOM 0 H GLY A 30 0.320 -7.047 -8.366 1.00 1.00 H new ATOM 0 HA2 GLY A 30 1.297 -4.380 -8.235 1.00 1.00 H new ATOM 0 HA3 GLY A 30 1.937 -5.711 -9.178 1.00 1.00 H new ATOM 425 N ASN A 31 1.143 -3.488 -10.686 1.00 1.00 N ATOM 426 CA ASN A 31 0.739 -2.773 -11.907 1.00 1.00 C ATOM 427 C ASN A 31 -0.613 -2.089 -11.703 1.00 1.00 C ATOM 428 O ASN A 31 -1.304 -1.754 -12.664 1.00 1.00 O ATOM 429 CB ASN A 31 0.682 -3.735 -13.128 1.00 1.00 C ATOM 430 CG ASN A 31 1.928 -4.611 -13.159 1.00 1.00 C ATOM 431 OD1 ASN A 31 2.991 -4.166 -13.590 1.00 1.00 O ATOM 432 ND2 ASN A 31 1.858 -5.837 -12.711 1.00 1.00 N ATOM 0 H ASN A 31 1.980 -3.110 -10.243 1.00 1.00 H new ATOM 0 HA ASN A 31 1.490 -2.010 -12.114 1.00 1.00 H new ATOM 0 HB2 ASN A 31 -0.210 -4.359 -13.069 1.00 1.00 H new ATOM 0 HB3 ASN A 31 0.608 -3.160 -14.051 1.00 1.00 H new ATOM 0 HD21 ASN A 31 2.688 -6.430 -12.717 1.00 1.00 H new ATOM 0 HD22 ASN A 31 0.974 -6.200 -12.355 1.00 1.00 H new ATOM 439 N THR A 32 -0.973 -1.875 -10.442 1.00 1.00 N ATOM 440 CA THR A 32 -2.248 -1.213 -10.089 1.00 1.00 C ATOM 441 C THR A 32 -1.999 0.274 -9.808 1.00 1.00 C ATOM 442 O THR A 32 -0.959 0.656 -9.272 1.00 1.00 O ATOM 443 CB THR A 32 -2.864 -1.890 -8.841 1.00 1.00 C ATOM 444 OG1 THR A 32 -3.049 -3.272 -9.114 1.00 1.00 O ATOM 445 CG2 THR A 32 -4.237 -1.265 -8.487 1.00 1.00 C ATOM 0 H THR A 32 -0.407 -2.147 -9.638 1.00 1.00 H new ATOM 0 HA THR A 32 -2.943 -1.307 -10.923 1.00 1.00 H new ATOM 0 HB THR A 32 -2.188 -1.746 -7.999 1.00 1.00 H new ATOM 0 HG1 THR A 32 -2.214 -3.754 -8.940 1.00 1.00 H new ATOM 0 HG21 THR A 32 -4.646 -1.760 -7.606 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.110 -0.202 -8.280 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.922 -1.392 -9.326 1.00 1.00 H new ATOM 453 N LYS A 33 -2.973 1.101 -10.170 1.00 1.00 N ATOM 454 CA LYS A 33 -2.870 2.553 -9.947 1.00 1.00 C ATOM 455 C LYS A 33 -3.360 2.907 -8.537 1.00 1.00 C ATOM 456 O LYS A 33 -4.354 2.367 -8.053 1.00 1.00 O ATOM 457 CB LYS A 33 -3.720 3.302 -10.992 1.00 1.00 C ATOM 458 CG LYS A 33 -3.180 3.017 -12.411 1.00 1.00 C ATOM 459 CD LYS A 33 -4.030 3.764 -13.465 1.00 1.00 C ATOM 460 CE LYS A 33 -3.492 3.474 -14.875 1.00 1.00 C ATOM 461 NZ LYS A 33 -4.314 4.192 -15.881 1.00 1.00 N ATOM 0 H LYS A 33 -3.840 0.802 -10.616 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.826 2.852 -10.046 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -4.761 2.987 -10.920 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -3.696 4.373 -10.793 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -2.139 3.333 -12.482 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -3.202 1.945 -12.608 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -5.072 3.451 -13.393 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -4.005 4.836 -13.271 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -2.451 3.789 -14.950 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -3.515 2.402 -15.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -3.948 3.994 -16.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -5.301 3.871 -15.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -4.270 5.215 -15.699 1.00 1.00 H new ATOM 475 N VAL A 34 -2.645 3.823 -7.892 1.00 1.00 N ATOM 476 CA VAL A 34 -2.993 4.273 -6.527 1.00 1.00 C ATOM 477 C VAL A 34 -2.727 5.787 -6.383 1.00 1.00 C ATOM 478 O VAL A 34 -1.615 6.261 -6.615 1.00 1.00 O ATOM 479 CB VAL A 34 -2.167 3.467 -5.465 1.00 1.00 C ATOM 480 CG1 VAL A 34 -2.697 2.012 -5.359 1.00 1.00 C ATOM 481 CG2 VAL A 34 -0.659 3.435 -5.843 1.00 1.00 C ATOM 0 H VAL A 34 -1.819 4.275 -8.283 1.00 1.00 H new ATOM 0 HA VAL A 34 -4.053 4.089 -6.354 1.00 1.00 H new ATOM 0 HB VAL A 34 -2.282 3.968 -4.504 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -2.114 1.465 -4.618 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -3.744 2.027 -5.057 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -2.606 1.520 -6.327 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -0.107 2.870 -5.091 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -0.538 2.959 -6.816 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -0.273 4.454 -5.887 1.00 1.00 H new ATOM 491 N THR A 35 -3.756 6.521 -5.974 1.00 1.00 N ATOM 492 CA THR A 35 -3.648 7.974 -5.774 1.00 1.00 C ATOM 493 C THR A 35 -3.222 8.267 -4.345 1.00 1.00 C ATOM 494 O THR A 35 -4.053 8.418 -3.450 1.00 1.00 O ATOM 495 CB THR A 35 -5.006 8.641 -6.044 1.00 1.00 C ATOM 496 OG1 THR A 35 -5.954 8.153 -5.105 1.00 1.00 O ATOM 497 CG2 THR A 35 -5.474 8.311 -7.472 1.00 1.00 C ATOM 0 H THR A 35 -4.680 6.139 -5.772 1.00 1.00 H new ATOM 0 HA THR A 35 -2.904 8.371 -6.465 1.00 1.00 H new ATOM 0 HB THR A 35 -4.910 9.722 -5.944 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.679 8.409 -4.200 1.00 1.00 H new ATOM 0 HG21 THR A 35 -6.437 8.786 -7.658 1.00 1.00 H new ATOM 0 HG22 THR A 35 -4.742 8.681 -8.190 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.575 7.231 -7.581 1.00 1.00 H new ATOM 505 N ILE A 36 -1.911 8.355 -4.139 1.00 1.00 N ATOM 506 CA ILE A 36 -1.358 8.647 -2.778 1.00 1.00 C ATOM 507 C ILE A 36 -2.252 9.651 -2.004 1.00 1.00 C ATOM 508 O ILE A 36 -2.877 10.520 -2.615 1.00 1.00 O ATOM 509 CB ILE A 36 0.091 9.222 -2.906 1.00 1.00 C ATOM 510 CG1 ILE A 36 1.002 8.273 -3.812 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.733 9.378 -1.488 1.00 1.00 C ATOM 512 CD1 ILE A 36 1.183 8.831 -5.233 1.00 1.00 C ATOM 0 H ILE A 36 -1.207 8.234 -4.867 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.336 7.712 -2.218 1.00 1.00 H new ATOM 0 HB ILE A 36 0.029 10.200 -3.384 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.979 8.153 -3.343 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.551 7.282 -3.867 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.742 9.779 -1.587 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.129 10.059 -0.888 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.776 8.405 -0.999 1.00 1.00 H new ATOM 0 HD11 ILE A 36 1.809 8.153 -5.813 1.00 1.00 H new ATOM 0 HD12 ILE A 36 0.209 8.926 -5.713 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.659 9.810 -5.181 1.00 1.00 H new ATOM 524 N VAL A 37 -2.317 9.507 -0.684 1.00 1.00 N ATOM 525 CA VAL A 37 -3.167 10.389 0.158 1.00 1.00 C ATOM 526 C VAL A 37 -2.458 10.717 1.481 1.00 1.00 C ATOM 527 O VAL A 37 -2.948 10.399 2.563 1.00 1.00 O ATOM 528 CB VAL A 37 -4.542 9.690 0.450 1.00 1.00 C ATOM 529 CG1 VAL A 37 -5.568 10.720 0.991 1.00 1.00 C ATOM 530 CG2 VAL A 37 -5.093 9.010 -0.830 1.00 1.00 C ATOM 0 H VAL A 37 -1.801 8.798 -0.163 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.344 11.318 -0.383 1.00 1.00 H new ATOM 0 HB VAL A 37 -4.381 8.923 1.208 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -6.516 10.220 1.189 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -5.190 11.159 1.914 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -5.720 11.506 0.251 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -6.046 8.531 -0.606 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -5.237 9.760 -1.607 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.383 8.259 -1.178 1.00 1.00 H new ATOM 540 N GLY A 38 -1.306 11.370 1.372 1.00 1.00 N ATOM 541 CA GLY A 38 -0.510 11.769 2.543 1.00 1.00 C ATOM 542 C GLY A 38 0.747 10.911 2.659 1.00 1.00 C ATOM 543 O GLY A 38 0.829 9.817 2.100 1.00 1.00 O ATOM 0 H GLY A 38 -0.894 11.639 0.479 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.233 12.820 2.459 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -1.110 11.669 3.448 1.00 1.00 H new ATOM 547 N GLU A 39 1.722 11.418 3.407 1.00 1.00 N ATOM 548 CA GLU A 39 3.001 10.689 3.614 1.00 1.00 C ATOM 549 C GLU A 39 3.409 10.743 5.087 1.00 1.00 C ATOM 550 O GLU A 39 3.247 11.764 5.756 1.00 1.00 O ATOM 551 CB GLU A 39 4.114 11.311 2.735 1.00 1.00 C ATOM 552 CG GLU A 39 3.752 11.156 1.242 1.00 1.00 C ATOM 553 CD GLU A 39 4.849 11.751 0.357 1.00 1.00 C ATOM 554 OE1 GLU A 39 5.351 12.805 0.704 1.00 1.00 O ATOM 555 OE2 GLU A 39 5.160 11.146 -0.657 1.00 1.00 O ATOM 0 H GLU A 39 1.668 12.319 3.881 1.00 1.00 H new ATOM 0 HA GLU A 39 2.860 9.647 3.326 1.00 1.00 H new ATOM 0 HB2 GLU A 39 4.237 12.366 2.981 1.00 1.00 H new ATOM 0 HB3 GLU A 39 5.067 10.823 2.940 1.00 1.00 H new ATOM 0 HG2 GLU A 39 3.617 10.101 1.003 1.00 1.00 H new ATOM 0 HG3 GLU A 39 2.804 11.653 1.039 1.00 1.00 H new ATOM 562 N GLU A 40 3.936 9.629 5.583 1.00 1.00 N ATOM 563 CA GLU A 40 4.367 9.534 6.992 1.00 1.00 C ATOM 564 C GLU A 40 5.558 8.564 7.124 1.00 1.00 C ATOM 565 O GLU A 40 5.462 7.390 6.768 1.00 1.00 O ATOM 566 CB GLU A 40 3.165 9.045 7.858 1.00 1.00 C ATOM 567 CG GLU A 40 3.346 9.412 9.355 1.00 1.00 C ATOM 568 CD GLU A 40 4.575 8.712 9.937 1.00 1.00 C ATOM 569 OE1 GLU A 40 4.733 7.530 9.681 1.00 1.00 O ATOM 570 OE2 GLU A 40 5.346 9.370 10.621 1.00 1.00 O ATOM 0 H GLU A 40 4.079 8.777 5.041 1.00 1.00 H new ATOM 0 HA GLU A 40 4.691 10.514 7.342 1.00 1.00 H new ATOM 0 HB2 GLU A 40 2.243 9.490 7.484 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.061 7.965 7.759 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.452 10.492 9.460 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.457 9.123 9.916 1.00 1.00 H new ATOM 577 N GLY A 41 6.667 9.073 7.651 1.00 1.00 N ATOM 578 CA GLY A 41 7.873 8.255 7.840 1.00 1.00 C ATOM 579 C GLY A 41 8.245 7.504 6.545 1.00 1.00 C ATOM 580 O GLY A 41 8.601 8.124 5.543 1.00 1.00 O ATOM 0 H GLY A 41 6.762 10.042 7.955 1.00 1.00 H new ATOM 0 HA2 GLY A 41 8.703 8.892 8.146 1.00 1.00 H new ATOM 0 HA3 GLY A 41 7.707 7.538 8.645 1.00 1.00 H new ATOM 584 N ALA A 42 8.154 6.178 6.583 1.00 1.00 N ATOM 585 CA ALA A 42 8.467 5.320 5.411 1.00 1.00 C ATOM 586 C ALA A 42 7.209 4.616 4.905 1.00 1.00 C ATOM 587 O ALA A 42 7.301 3.542 4.311 1.00 1.00 O ATOM 588 CB ALA A 42 9.524 4.273 5.813 1.00 1.00 C ATOM 0 H ALA A 42 7.865 5.658 7.412 1.00 1.00 H new ATOM 0 HA ALA A 42 8.856 5.948 4.609 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.756 3.642 4.955 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.430 4.780 6.146 1.00 1.00 H new ATOM 0 HB3 ALA A 42 9.135 3.656 6.623 1.00 1.00 H new ATOM 594 N PHE A 43 6.047 5.219 5.138 1.00 1.00 N ATOM 595 CA PHE A 43 4.761 4.644 4.698 1.00 1.00 C ATOM 596 C PHE A 43 3.775 5.755 4.332 1.00 1.00 C ATOM 597 O PHE A 43 3.872 6.888 4.804 1.00 1.00 O ATOM 598 CB PHE A 43 4.170 3.772 5.825 1.00 1.00 C ATOM 599 CG PHE A 43 5.192 2.695 6.211 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.198 1.449 5.556 1.00 1.00 C ATOM 601 CD2 PHE A 43 6.141 2.948 7.225 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.136 0.470 5.911 1.00 1.00 C ATOM 603 CE2 PHE A 43 7.076 1.967 7.574 1.00 1.00 C ATOM 604 CZ PHE A 43 7.072 0.727 6.921 1.00 1.00 C ATOM 0 H PHE A 43 5.960 6.108 5.630 1.00 1.00 H new ATOM 0 HA PHE A 43 4.936 4.029 3.815 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.928 4.389 6.691 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.241 3.308 5.494 1.00 1.00 H new ATOM 0 HD1 PHE A 43 4.477 1.247 4.777 1.00 1.00 H new ATOM 0 HD2 PHE A 43 6.145 3.901 7.733 1.00 1.00 H new ATOM 0 HE1 PHE A 43 6.137 -0.484 5.405 1.00 1.00 H new ATOM 0 HE2 PHE A 43 7.802 2.166 8.348 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.791 -0.031 7.197 1.00 1.00 H new ATOM 614 N TYR A 44 2.808 5.403 3.488 1.00 1.00 N ATOM 615 CA TYR A 44 1.774 6.346 3.027 1.00 1.00 C ATOM 616 C TYR A 44 0.422 5.648 2.957 1.00 1.00 C ATOM 617 O TYR A 44 0.307 4.435 3.139 1.00 1.00 O ATOM 618 CB TYR A 44 2.169 6.908 1.642 1.00 1.00 C ATOM 619 CG TYR A 44 2.402 5.759 0.645 1.00 1.00 C ATOM 620 CD1 TYR A 44 3.577 4.977 0.730 1.00 1.00 C ATOM 621 CD2 TYR A 44 1.461 5.475 -0.371 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.799 3.947 -0.189 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.699 4.440 -1.280 1.00 1.00 C ATOM 624 CZ TYR A 44 2.861 3.684 -1.191 1.00 1.00 C ATOM 625 OH TYR A 44 3.090 2.683 -2.104 1.00 1.00 O ATOM 0 H TYR A 44 2.713 4.464 3.102 1.00 1.00 H new ATOM 0 HA TYR A 44 1.696 7.172 3.734 1.00 1.00 H new ATOM 0 HB2 TYR A 44 1.383 7.566 1.272 1.00 1.00 H new ATOM 0 HB3 TYR A 44 3.073 7.510 1.731 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.303 5.175 1.505 1.00 1.00 H new ATOM 0 HD2 TYR A 44 0.556 6.059 -0.445 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.698 3.353 -0.124 1.00 1.00 H new ATOM 0 HE2 TYR A 44 0.977 4.227 -2.054 1.00 1.00 H new ATOM 0 HH TYR A 44 2.338 2.633 -2.730 1.00 1.00 H new ATOM 635 N LYS A 45 -0.613 6.442 2.699 1.00 1.00 N ATOM 636 CA LYS A 45 -1.997 5.931 2.612 1.00 1.00 C ATOM 637 C LYS A 45 -2.416 5.782 1.149 1.00 1.00 C ATOM 638 O LYS A 45 -1.926 6.488 0.267 1.00 1.00 O ATOM 639 CB LYS A 45 -2.959 6.916 3.319 1.00 1.00 C ATOM 640 CG LYS A 45 -2.625 7.001 4.834 1.00 1.00 C ATOM 641 CD LYS A 45 -3.543 8.033 5.570 1.00 1.00 C ATOM 642 CE LYS A 45 -5.023 7.542 5.650 1.00 1.00 C ATOM 643 NZ LYS A 45 -5.070 6.121 6.116 1.00 1.00 N ATOM 0 H LYS A 45 -0.529 7.447 2.545 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.042 4.956 3.098 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -2.877 7.904 2.865 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -3.990 6.588 3.185 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -2.744 6.018 5.289 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -1.581 7.287 4.961 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -3.162 8.204 6.577 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -3.505 8.989 5.048 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -5.588 8.176 6.334 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -5.496 7.628 4.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -5.946 5.960 6.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -5.046 5.485 5.293 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -4.250 5.928 6.726 1.00 1.00 H new ATOM 657 N ILE A 46 -3.325 4.844 0.905 1.00 1.00 N ATOM 658 CA ILE A 46 -3.840 4.571 -0.449 1.00 1.00 C ATOM 659 C ILE A 46 -5.350 4.309 -0.409 1.00 1.00 C ATOM 660 O ILE A 46 -5.897 3.839 0.589 1.00 1.00 O ATOM 661 CB ILE A 46 -3.095 3.346 -1.062 1.00 1.00 C ATOM 662 CG1 ILE A 46 -3.259 2.089 -0.141 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.589 3.685 -1.244 1.00 1.00 C ATOM 664 CD1 ILE A 46 -2.626 0.842 -0.792 1.00 1.00 C ATOM 0 H ILE A 46 -3.729 4.250 1.629 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.661 5.446 -1.074 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.530 3.119 -2.035 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -2.790 2.277 0.825 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -4.317 1.908 0.048 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -1.072 2.826 -1.673 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.487 4.541 -1.912 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -1.151 3.926 -0.276 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -2.753 -0.017 -0.133 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -3.114 0.642 -1.746 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.563 1.018 -0.958 1.00 1.00 H new ATOM 676 N GLU A 47 -6.008 4.602 -1.527 1.00 1.00 N ATOM 677 CA GLU A 47 -7.472 4.389 -1.653 1.00 1.00 C ATOM 678 C GLU A 47 -7.750 3.296 -2.677 1.00 1.00 C ATOM 679 O GLU A 47 -7.975 3.577 -3.854 1.00 1.00 O ATOM 680 CB GLU A 47 -8.162 5.726 -2.070 1.00 1.00 C ATOM 681 CG GLU A 47 -9.699 5.691 -1.808 1.00 1.00 C ATOM 682 CD GLU A 47 -10.382 4.658 -2.712 1.00 1.00 C ATOM 683 OE1 GLU A 47 -10.248 4.780 -3.918 1.00 1.00 O ATOM 684 OE2 GLU A 47 -11.020 3.758 -2.186 1.00 1.00 O ATOM 0 H GLU A 47 -5.566 4.986 -2.362 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.878 4.072 -0.693 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -7.718 6.553 -1.516 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -7.978 5.916 -3.127 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -9.889 5.448 -0.763 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -10.126 6.678 -1.988 1.00 1.00 H new ATOM 691 N TYR A 48 -7.747 2.048 -2.218 1.00 1.00 N ATOM 692 CA TYR A 48 -8.012 0.892 -3.085 1.00 1.00 C ATOM 693 C TYR A 48 -8.889 -0.135 -2.360 1.00 1.00 C ATOM 694 O TYR A 48 -8.948 -0.169 -1.130 1.00 1.00 O ATOM 695 CB TYR A 48 -6.661 0.254 -3.506 1.00 1.00 C ATOM 696 CG TYR A 48 -6.878 -0.630 -4.749 1.00 1.00 C ATOM 697 CD1 TYR A 48 -7.102 -0.019 -6.002 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.889 -2.034 -4.654 1.00 1.00 C ATOM 699 CE1 TYR A 48 -7.328 -0.808 -7.137 1.00 1.00 C ATOM 700 CE2 TYR A 48 -7.119 -2.814 -5.794 1.00 1.00 C ATOM 701 CZ TYR A 48 -7.335 -2.201 -7.031 1.00 1.00 C ATOM 702 OH TYR A 48 -7.555 -2.978 -8.145 1.00 1.00 O ATOM 0 H TYR A 48 -7.563 1.805 -1.245 1.00 1.00 H new ATOM 0 HA TYR A 48 -8.549 1.222 -3.974 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.930 1.033 -3.723 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -6.257 -0.342 -2.688 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -7.099 1.058 -6.085 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.720 -2.511 -3.700 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -7.497 -0.339 -8.095 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -7.129 -3.891 -5.717 1.00 1.00 H new ATOM 0 HH TYR A 48 -7.526 -3.925 -7.894 1.00 1.00 H new ATOM 712 N LYS A 49 -9.556 -0.980 -3.139 1.00 1.00 N ATOM 713 CA LYS A 49 -10.434 -2.023 -2.573 1.00 1.00 C ATOM 714 C LYS A 49 -11.405 -1.410 -1.546 1.00 1.00 C ATOM 715 O LYS A 49 -11.939 -2.118 -0.693 1.00 1.00 O ATOM 716 CB LYS A 49 -9.559 -3.166 -1.917 1.00 1.00 C ATOM 717 CG LYS A 49 -9.249 -4.308 -2.929 1.00 1.00 C ATOM 718 CD LYS A 49 -8.355 -5.423 -2.271 1.00 1.00 C ATOM 719 CE LYS A 49 -6.859 -5.025 -2.268 1.00 1.00 C ATOM 720 NZ LYS A 49 -6.072 -6.073 -1.584 1.00 1.00 N ATOM 0 H LYS A 49 -9.513 -0.972 -4.158 1.00 1.00 H new ATOM 0 HA LYS A 49 -11.028 -2.462 -3.374 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.624 -2.743 -1.549 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.084 -3.577 -1.055 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -10.182 -4.747 -3.283 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.740 -3.897 -3.801 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -8.687 -5.600 -1.248 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -8.482 -6.360 -2.814 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -6.504 -4.897 -3.290 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -6.727 -4.068 -1.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -5.067 -5.806 -1.582 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -6.406 -6.174 -0.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -6.189 -6.977 -2.084 1.00 1.00 H new ATOM 734 N GLY A 50 -11.617 -0.100 -1.636 1.00 1.00 N ATOM 735 CA GLY A 50 -12.504 0.607 -0.721 1.00 1.00 C ATOM 736 C GLY A 50 -11.882 0.708 0.665 1.00 1.00 C ATOM 737 O GLY A 50 -12.444 1.321 1.571 1.00 1.00 O ATOM 0 H GLY A 50 -11.182 0.496 -2.340 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.710 1.606 -1.106 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.460 0.086 -0.659 1.00 1.00 H new ATOM 741 N SER A 51 -10.712 0.097 0.822 1.00 1.00 N ATOM 742 CA SER A 51 -9.957 0.069 2.088 1.00 1.00 C ATOM 743 C SER A 51 -8.613 0.766 1.927 1.00 1.00 C ATOM 744 O SER A 51 -8.222 1.167 0.830 1.00 1.00 O ATOM 745 CB SER A 51 -9.745 -1.383 2.532 1.00 1.00 C ATOM 746 OG SER A 51 -8.984 -1.393 3.731 1.00 1.00 O ATOM 0 H SER A 51 -10.247 -0.404 0.065 1.00 1.00 H new ATOM 0 HA SER A 51 -10.530 0.599 2.848 1.00 1.00 H new ATOM 0 HB2 SER A 51 -10.706 -1.872 2.692 1.00 1.00 H new ATOM 0 HB3 SER A 51 -9.228 -1.943 1.753 1.00 1.00 H new ATOM 0 HG SER A 51 -8.845 -2.318 4.023 1.00 1.00 H new ATOM 752 N HIS A 52 -7.905 0.907 3.043 1.00 1.00 N ATOM 753 CA HIS A 52 -6.581 1.570 3.064 1.00 1.00 C ATOM 754 C HIS A 52 -5.491 0.548 3.384 1.00 1.00 C ATOM 755 O HIS A 52 -5.734 -0.465 4.041 1.00 1.00 O ATOM 756 CB HIS A 52 -6.587 2.706 4.119 1.00 1.00 C ATOM 757 CG HIS A 52 -6.990 2.165 5.463 1.00 1.00 C ATOM 758 ND1 HIS A 52 -8.169 1.637 5.927 1.00 1.00 N flip ATOM 759 CD2 HIS A 52 -6.111 2.122 6.527 1.00 1.00 C flip ATOM 760 CE1 HIS A 52 -8.023 1.272 7.261 1.00 1.00 C flip ATOM 761 NE2 HIS A 52 -6.764 1.587 7.574 1.00 1.00 N flip ATOM 0 H HIS A 52 -8.217 0.573 3.955 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.374 2.000 2.084 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.597 3.158 4.183 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.277 3.492 3.813 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -5.084 2.457 6.520 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -8.768 0.829 7.905 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -6.349 1.440 8.494 1.00 1.00 H new ATOM 770 N GLY A 53 -4.281 0.835 2.918 1.00 1.00 N ATOM 771 CA GLY A 53 -3.125 -0.046 3.144 1.00 1.00 C ATOM 772 C GLY A 53 -1.848 0.773 3.320 1.00 1.00 C ATOM 773 O GLY A 53 -1.799 1.962 3.008 1.00 1.00 O ATOM 0 H GLY A 53 -4.067 1.674 2.378 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.295 -0.658 4.030 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.012 -0.729 2.302 1.00 1.00 H new ATOM 777 N TYR A 54 -0.810 0.113 3.821 1.00 1.00 N ATOM 778 CA TYR A 54 0.504 0.766 4.056 1.00 1.00 C ATOM 779 C TYR A 54 1.630 -0.077 3.454 1.00 1.00 C ATOM 780 O TYR A 54 1.627 -1.304 3.550 1.00 1.00 O ATOM 781 CB TYR A 54 0.734 0.924 5.575 1.00 1.00 C ATOM 782 CG TYR A 54 -0.368 1.826 6.151 1.00 1.00 C ATOM 783 CD1 TYR A 54 -1.635 1.285 6.447 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.137 3.203 6.361 1.00 1.00 C ATOM 785 CE1 TYR A 54 -2.650 2.109 6.949 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.159 4.018 6.859 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.412 3.472 7.155 1.00 1.00 C ATOM 788 OH TYR A 54 -3.417 4.281 7.645 1.00 1.00 O ATOM 0 H TYR A 54 -0.837 -0.874 4.077 1.00 1.00 H new ATOM 0 HA TYR A 54 0.503 1.746 3.579 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.717 -0.051 6.063 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.715 1.359 5.765 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -1.824 0.234 6.287 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.830 3.628 6.137 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.619 1.691 7.178 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -0.980 5.072 7.015 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.024 5.015 8.161 1.00 1.00 H new ATOM 798 N VAL A 55 2.598 0.598 2.843 1.00 1.00 N ATOM 799 CA VAL A 55 3.743 -0.107 2.227 1.00 1.00 C ATOM 800 C VAL A 55 4.923 0.842 2.069 1.00 1.00 C ATOM 801 O VAL A 55 4.753 2.062 2.052 1.00 1.00 O ATOM 802 CB VAL A 55 3.318 -0.732 0.856 1.00 1.00 C ATOM 803 CG1 VAL A 55 2.682 0.346 -0.046 1.00 1.00 C ATOM 804 CG2 VAL A 55 4.532 -1.383 0.119 1.00 1.00 C ATOM 0 H VAL A 55 2.624 1.614 2.756 1.00 1.00 H new ATOM 0 HA VAL A 55 4.057 -0.921 2.881 1.00 1.00 H new ATOM 0 HB VAL A 55 2.588 -1.514 1.063 1.00 1.00 H new ATOM 0 HG11 VAL A 55 2.391 -0.101 -0.997 1.00 1.00 H new ATOM 0 HG12 VAL A 55 1.801 0.759 0.446 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.404 1.142 -0.226 1.00 1.00 H new ATOM 0 HG21 VAL A 55 4.198 -1.806 -0.828 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.292 -0.625 -0.070 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.954 -2.173 0.740 1.00 1.00 H new ATOM 814 N ALA A 56 6.119 0.275 1.948 1.00 1.00 N ATOM 815 CA ALA A 56 7.331 1.078 1.784 1.00 1.00 C ATOM 816 C ALA A 56 7.233 1.945 0.514 1.00 1.00 C ATOM 817 O ALA A 56 6.835 1.473 -0.551 1.00 1.00 O ATOM 818 CB ALA A 56 8.567 0.161 1.698 1.00 1.00 C ATOM 0 H ALA A 56 6.277 -0.733 1.960 1.00 1.00 H new ATOM 0 HA ALA A 56 7.433 1.733 2.649 1.00 1.00 H new ATOM 0 HB1 ALA A 56 9.463 0.769 1.576 1.00 1.00 H new ATOM 0 HB2 ALA A 56 8.649 -0.426 2.613 1.00 1.00 H new ATOM 0 HB3 ALA A 56 8.464 -0.509 0.844 1.00 1.00 H new ATOM 824 N LYS A 57 7.596 3.216 0.654 1.00 1.00 N ATOM 825 CA LYS A 57 7.555 4.179 -0.473 1.00 1.00 C ATOM 826 C LYS A 57 8.896 4.195 -1.204 1.00 1.00 C ATOM 827 O LYS A 57 8.945 4.353 -2.424 1.00 1.00 O ATOM 828 CB LYS A 57 7.196 5.619 0.053 1.00 1.00 C ATOM 829 CG LYS A 57 7.548 5.768 1.571 1.00 1.00 C ATOM 830 CD LYS A 57 7.362 7.250 2.062 1.00 1.00 C ATOM 831 CE LYS A 57 8.626 8.094 1.767 1.00 1.00 C ATOM 832 NZ LYS A 57 8.371 9.514 2.098 1.00 1.00 N ATOM 0 H LYS A 57 7.924 3.616 1.533 1.00 1.00 H new ATOM 0 HA LYS A 57 6.782 3.865 -1.175 1.00 1.00 H new ATOM 0 HB2 LYS A 57 7.740 6.367 -0.525 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.134 5.810 -0.098 1.00 1.00 H new ATOM 0 HG2 LYS A 57 6.913 5.106 2.160 1.00 1.00 H new ATOM 0 HG3 LYS A 57 8.578 5.454 1.739 1.00 1.00 H new ATOM 0 HD2 LYS A 57 6.499 7.695 1.567 1.00 1.00 H new ATOM 0 HD3 LYS A 57 7.156 7.259 3.132 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.468 7.721 2.351 1.00 1.00 H new ATOM 0 HE3 LYS A 57 8.900 8.000 0.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.223 10.076 1.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 7.580 9.868 1.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 8.130 9.598 3.106 1.00 1.00 H new ATOM 846 N GLU A 58 9.980 4.045 -0.450 1.00 1.00 N ATOM 847 CA GLU A 58 11.327 4.054 -1.027 1.00 1.00 C ATOM 848 C GLU A 58 11.458 2.978 -2.108 1.00 1.00 C ATOM 849 O GLU A 58 12.244 3.111 -3.045 1.00 1.00 O ATOM 850 CB GLU A 58 12.368 3.822 0.096 1.00 1.00 C ATOM 851 CG GLU A 58 12.046 2.521 0.869 1.00 1.00 C ATOM 852 CD GLU A 58 13.054 2.311 1.999 1.00 1.00 C ATOM 853 OE1 GLU A 58 12.922 2.981 3.009 1.00 1.00 O ATOM 854 OE2 GLU A 58 13.942 1.489 1.838 1.00 1.00 O ATOM 0 H GLU A 58 9.956 3.916 0.561 1.00 1.00 H new ATOM 0 HA GLU A 58 11.509 5.023 -1.492 1.00 1.00 H new ATOM 0 HB2 GLU A 58 13.368 3.759 -0.333 1.00 1.00 H new ATOM 0 HB3 GLU A 58 12.368 4.669 0.782 1.00 1.00 H new ATOM 0 HG2 GLU A 58 11.037 2.573 1.278 1.00 1.00 H new ATOM 0 HG3 GLU A 58 12.070 1.670 0.188 1.00 1.00 H new ATOM 861 N TYR A 59 10.680 1.910 -1.961 1.00 1.00 N ATOM 862 CA TYR A 59 10.700 0.802 -2.928 1.00 1.00 C ATOM 863 C TYR A 59 10.235 1.294 -4.307 1.00 1.00 C ATOM 864 O TYR A 59 10.776 0.882 -5.332 1.00 1.00 O ATOM 865 CB TYR A 59 9.788 -0.384 -2.415 1.00 1.00 C ATOM 866 CG TYR A 59 10.643 -1.517 -1.799 1.00 1.00 C ATOM 867 CD1 TYR A 59 11.130 -1.402 -0.484 1.00 1.00 C ATOM 868 CD2 TYR A 59 10.963 -2.668 -2.554 1.00 1.00 C ATOM 869 CE1 TYR A 59 11.921 -2.417 0.069 1.00 1.00 C ATOM 870 CE2 TYR A 59 11.751 -3.680 -1.994 1.00 1.00 C ATOM 871 CZ TYR A 59 12.228 -3.554 -0.686 1.00 1.00 C ATOM 872 OH TYR A 59 13.005 -4.554 -0.143 1.00 1.00 O ATOM 0 H TYR A 59 10.028 1.782 -1.187 1.00 1.00 H new ATOM 0 HA TYR A 59 11.721 0.432 -3.024 1.00 1.00 H new ATOM 0 HB2 TYR A 59 9.084 -0.010 -1.672 1.00 1.00 H new ATOM 0 HB3 TYR A 59 9.198 -0.778 -3.243 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.893 -0.526 0.102 1.00 1.00 H new ATOM 0 HD2 TYR A 59 10.598 -2.767 -3.566 1.00 1.00 H new ATOM 0 HE1 TYR A 59 12.294 -2.322 1.078 1.00 1.00 H new ATOM 0 HE2 TYR A 59 11.991 -4.559 -2.573 1.00 1.00 H new ATOM 0 HH TYR A 59 13.121 -5.271 -0.800 1.00 1.00 H new ATOM 882 N ILE A 60 9.228 2.163 -4.319 1.00 1.00 N ATOM 883 CA ILE A 60 8.681 2.698 -5.576 1.00 1.00 C ATOM 884 C ILE A 60 9.562 3.850 -6.062 1.00 1.00 C ATOM 885 O ILE A 60 9.427 4.935 -5.520 1.00 1.00 O ATOM 886 CB ILE A 60 7.227 3.203 -5.341 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.367 2.033 -4.766 1.00 1.00 C ATOM 888 CG2 ILE A 60 6.613 3.706 -6.683 1.00 1.00 C ATOM 889 CD1 ILE A 60 4.964 2.526 -4.372 1.00 1.00 C ATOM 890 OXT ILE A 60 10.335 3.635 -6.979 1.00 1.00 O ATOM 0 H ILE A 60 8.771 2.515 -3.478 1.00 1.00 H new ATOM 0 HA ILE A 60 8.666 1.913 -6.332 1.00 1.00 H new ATOM 0 HB ILE A 60 7.239 4.031 -4.632 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.283 1.239 -5.508 1.00 1.00 H new ATOM 0 HG13 ILE A 60 6.864 1.604 -3.896 1.00 1.00 H new ATOM 0 HG21 ILE A 60 5.596 4.057 -6.509 1.00 1.00 H new ATOM 0 HG22 ILE A 60 7.217 4.524 -7.076 1.00 1.00 H new ATOM 0 HG23 ILE A 60 6.596 2.889 -7.404 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.384 1.693 -3.974 1.00 1.00 H new ATOM 0 HD12 ILE A 60 5.051 3.303 -3.612 1.00 1.00 H new ATOM 0 HD13 ILE A 60 4.461 2.932 -5.250 1.00 1.00 H new