USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 491 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 NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD21 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD22 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 24 TYR OH : rot 180:sc= 0.633 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -138:sc= 0.663 (180deg=-0.297) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 2 THR OG1 : rot -73:sc= 0.987 USER MOD Single : A -2 SER OG : rot 180:sc= 0.0153 USER MOD Single : A -3 GLY N :NH3+ -137:sc= 0.139 (180deg=0) USER MOD Single : A 20 MET CE :methyl -165:sc= -0.639 (180deg=-1.11) USER MOD Single : A 21 MET CE :methyl -119:sc= -2.02 (180deg=-2.49) USER MOD Single : A 23 GLN : amide:sc= -1.54 K(o=-1.5,f=-6.7!) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= -0.0176 (180deg=-0.129) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.13) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 85:sc= 1.21 USER MOD Single : A 60 ASN : amide:sc= -0.893 K(o=-0.89,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0136 K(o=-0.014,f=-0.54) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -2.387 0.666 13.739 1.00 0.00 N ATOM 2 CA GLY A -3 -2.358 2.022 14.264 1.00 0.00 C ATOM 3 C GLY A -3 -1.040 2.677 13.965 1.00 0.00 C ATOM 4 O GLY A -3 -0.225 2.116 13.231 1.00 0.00 O ATOM 0 H1 GLY A -3 -3.306 0.489 13.285 1.00 0.00 H new ATOM 0 H2 GLY A -3 -1.627 0.548 13.039 1.00 0.00 H new ATOM 0 H3 GLY A -3 -2.249 -0.010 14.517 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -3.168 2.605 13.825 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -2.525 2.004 15.341 1.00 0.00 H new ATOM 10 N SER A -2 -0.809 3.831 14.545 1.00 0.00 N ATOM 11 CA SER A -2 0.408 4.573 14.330 1.00 0.00 C ATOM 12 C SER A -2 1.446 4.220 15.394 1.00 0.00 C ATOM 13 O SER A -2 2.596 4.666 15.335 1.00 0.00 O ATOM 14 CB SER A -2 0.096 6.068 14.336 1.00 0.00 C ATOM 15 OG SER A -2 -0.647 6.414 15.498 1.00 0.00 O ATOM 0 H SER A -2 -1.464 4.283 15.183 1.00 0.00 H new ATOM 0 HA SER A -2 0.829 4.307 13.361 1.00 0.00 H new ATOM 0 HB2 SER A -2 1.024 6.640 14.306 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.470 6.332 13.443 1.00 0.00 H new ATOM 0 HG SER A -2 -0.838 7.375 15.490 1.00 0.00 H new ATOM 21 N ALA A -1 1.028 3.416 16.371 1.00 0.00 N ATOM 22 CA ALA A -1 1.904 2.956 17.437 1.00 0.00 C ATOM 23 C ALA A -1 2.989 2.041 16.880 1.00 0.00 C ATOM 24 O ALA A -1 4.092 1.967 17.406 1.00 0.00 O ATOM 25 CB ALA A -1 1.100 2.243 18.503 1.00 0.00 C ATOM 0 H ALA A -1 0.072 3.068 16.442 1.00 0.00 H new ATOM 0 HA ALA A -1 2.388 3.822 17.889 1.00 0.00 H new ATOM 0 HB1 ALA A -1 1.767 1.903 19.295 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.360 2.927 18.919 1.00 0.00 H new ATOM 0 HB3 ALA A -1 0.593 1.384 18.063 1.00 0.00 H new ATOM 31 N SER A 0 2.673 1.378 15.807 1.00 0.00 N ATOM 32 CA SER A 0 3.598 0.524 15.140 1.00 0.00 C ATOM 33 C SER A 0 4.102 1.281 13.904 1.00 0.00 C ATOM 34 O SER A 0 3.540 2.333 13.542 1.00 0.00 O ATOM 35 CB SER A 0 2.872 -0.765 14.745 1.00 0.00 C ATOM 36 OG SER A 0 3.756 -1.761 14.256 1.00 0.00 O ATOM 0 H SER A 0 1.753 1.419 15.369 1.00 0.00 H new ATOM 0 HA SER A 0 4.444 0.257 15.773 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.334 -1.154 15.610 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.127 -0.539 13.982 1.00 0.00 H new ATOM 0 HG SER A 0 3.246 -2.564 14.019 1.00 0.00 H new ATOM 42 N ASN A 1 5.131 0.787 13.260 1.00 0.00 N ATOM 43 CA ASN A 1 5.636 1.435 12.081 1.00 0.00 C ATOM 44 C ASN A 1 4.944 0.875 10.862 1.00 0.00 C ATOM 45 O ASN A 1 5.452 -0.001 10.153 1.00 0.00 O ATOM 46 CB ASN A 1 7.142 1.334 11.920 1.00 0.00 C ATOM 47 CG ASN A 1 7.626 2.126 10.710 1.00 0.00 C ATOM 48 OD1 ASN A 1 7.134 3.231 10.431 1.00 0.00 O ATOM 49 ND2 ASN A 1 8.476 1.538 9.942 1.00 0.00 N ATOM 0 H ASN A 1 5.632 -0.059 13.533 1.00 0.00 H new ATOM 0 HA ASN A 1 5.418 2.497 12.192 1.00 0.00 H new ATOM 0 HB2 ASN A 1 7.632 1.706 12.820 1.00 0.00 H new ATOM 0 HB3 ASN A 1 7.429 0.288 11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 1 8.767 1.980 9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 1 8.858 0.630 10.205 1.00 0.00 H new ATOM 56 N THR A 2 3.759 1.305 10.717 1.00 0.00 N ATOM 57 CA THR A 2 2.931 0.965 9.614 1.00 0.00 C ATOM 58 C THR A 2 2.914 2.105 8.600 1.00 0.00 C ATOM 59 O THR A 2 2.499 3.234 8.907 1.00 0.00 O ATOM 60 CB THR A 2 1.500 0.646 10.081 1.00 0.00 C ATOM 61 OG1 THR A 2 1.526 -0.503 10.948 1.00 0.00 O ATOM 62 CG2 THR A 2 0.607 0.363 8.889 1.00 0.00 C ATOM 0 H THR A 2 3.310 1.931 11.386 1.00 0.00 H new ATOM 0 HA THR A 2 3.341 0.074 9.139 1.00 0.00 H new ATOM 0 HB THR A 2 1.103 1.506 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.688 -1.310 10.416 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.402 0.139 9.235 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.582 1.237 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.998 -0.491 8.336 1.00 0.00 H new ATOM 70 N ILE A 3 3.370 1.812 7.428 1.00 0.00 N ATOM 71 CA ILE A 3 3.425 2.752 6.335 1.00 0.00 C ATOM 72 C ILE A 3 2.653 2.167 5.148 1.00 0.00 C ATOM 73 O ILE A 3 3.070 1.180 4.557 1.00 0.00 O ATOM 74 CB ILE A 3 4.913 3.100 5.973 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.042 3.839 4.610 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.819 1.868 6.072 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.470 4.218 4.226 1.00 0.00 C ATOM 0 H ILE A 3 3.727 0.888 7.187 1.00 0.00 H new ATOM 0 HA ILE A 3 2.955 3.693 6.622 1.00 0.00 H new ATOM 0 HB ILE A 3 5.265 3.809 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.625 3.205 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.436 4.745 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.841 2.146 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.794 1.479 7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.467 1.101 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.465 4.728 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.887 4.880 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.079 3.317 4.156 1.00 0.00 H new ATOM 89 N LEU A 4 1.500 2.756 4.854 1.00 0.00 N ATOM 90 CA LEU A 4 0.608 2.272 3.814 1.00 0.00 C ATOM 91 C LEU A 4 1.278 2.290 2.459 1.00 0.00 C ATOM 92 O LEU A 4 1.591 3.361 1.911 1.00 0.00 O ATOM 93 CB LEU A 4 -0.679 3.096 3.770 1.00 0.00 C ATOM 94 CG LEU A 4 -1.491 3.174 5.063 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.814 3.885 4.831 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.706 1.797 5.656 1.00 0.00 C ATOM 0 H LEU A 4 1.158 3.588 5.335 1.00 0.00 H new ATOM 0 HA LEU A 4 0.357 1.240 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.422 4.111 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.320 2.684 2.990 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.919 3.759 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.373 3.928 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.625 4.898 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.394 3.340 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.286 1.883 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.246 1.174 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.741 1.342 5.878 1.00 0.00 H new ATOM 108 N GLY A 5 1.504 1.120 1.938 1.00 0.00 N ATOM 109 CA GLY A 5 2.164 0.989 0.687 1.00 0.00 C ATOM 110 C GLY A 5 3.476 0.264 0.828 1.00 0.00 C ATOM 111 O GLY A 5 3.980 -0.287 -0.128 1.00 0.00 O ATOM 0 H GLY A 5 1.235 0.237 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.522 0.449 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.337 1.977 0.261 1.00 0.00 H new ATOM 115 N ASP A 6 4.027 0.255 2.016 1.00 0.00 N ATOM 116 CA ASP A 6 5.267 -0.423 2.250 1.00 0.00 C ATOM 117 C ASP A 6 5.039 -1.598 3.177 1.00 0.00 C ATOM 118 O ASP A 6 5.075 -1.499 4.397 1.00 0.00 O ATOM 119 CB ASP A 6 6.345 0.535 2.731 1.00 0.00 C ATOM 120 CG ASP A 6 7.623 -0.154 3.058 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.112 -0.948 2.231 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.198 0.113 4.102 1.00 0.00 O ATOM 0 H ASP A 6 3.630 0.713 2.836 1.00 0.00 H new ATOM 0 HA ASP A 6 5.644 -0.825 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.528 1.285 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.987 1.065 3.614 1.00 0.00 H new ATOM 127 N LEU A 7 4.745 -2.690 2.543 1.00 0.00 N ATOM 128 CA LEU A 7 4.330 -3.931 3.151 1.00 0.00 C ATOM 129 C LEU A 7 5.498 -4.711 3.718 1.00 0.00 C ATOM 130 O LEU A 7 5.381 -5.370 4.750 1.00 0.00 O ATOM 131 CB LEU A 7 3.595 -4.795 2.109 1.00 0.00 C ATOM 132 CG LEU A 7 2.160 -4.390 1.677 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.070 -3.005 1.070 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.640 -5.385 0.694 1.00 0.00 C ATOM 0 H LEU A 7 4.789 -2.750 1.526 1.00 0.00 H new ATOM 0 HA LEU A 7 3.665 -3.684 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.213 -4.826 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.547 -5.812 2.499 1.00 0.00 H new ATOM 0 HG LEU A 7 1.559 -4.374 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.037 -2.795 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.408 -2.267 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.700 -2.955 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.632 -5.103 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.291 -5.407 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.617 -6.373 1.154 1.00 0.00 H new ATOM 146 N ASN A 8 6.619 -4.657 3.033 1.00 0.00 N ATOM 147 CA ASN A 8 7.804 -5.418 3.441 1.00 0.00 C ATOM 148 C ASN A 8 8.677 -4.638 4.402 1.00 0.00 C ATOM 149 O ASN A 8 9.623 -5.200 4.987 1.00 0.00 O ATOM 150 CB ASN A 8 8.613 -5.920 2.222 1.00 0.00 C ATOM 151 CG ASN A 8 9.242 -4.822 1.387 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.760 -3.695 1.333 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.264 -5.152 0.669 1.00 0.00 N ATOM 0 H ASN A 8 6.746 -4.098 2.190 1.00 0.00 H new ATOM 0 HA ASN A 8 7.443 -6.297 3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.400 -6.587 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.956 -6.512 1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.687 -4.469 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.648 -6.095 0.731 1.00 0.00 H new ATOM 160 N ASP A 9 8.322 -3.366 4.603 1.00 0.00 N ATOM 161 CA ASP A 9 9.041 -2.455 5.499 1.00 0.00 C ATOM 162 C ASP A 9 10.450 -2.178 5.004 1.00 0.00 C ATOM 163 O ASP A 9 11.442 -2.670 5.537 1.00 0.00 O ATOM 164 CB ASP A 9 8.980 -2.860 6.993 1.00 0.00 C ATOM 165 CG ASP A 9 9.826 -1.977 7.923 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.413 -0.838 8.237 1.00 0.00 O ATOM 167 OD2 ASP A 9 10.898 -2.433 8.386 1.00 0.00 O ATOM 0 H ASP A 9 7.520 -2.935 4.144 1.00 0.00 H new ATOM 0 HA ASP A 9 8.503 -1.508 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.942 -2.826 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.312 -3.893 7.091 1.00 0.00 H new ATOM 172 N ASP A 10 10.517 -1.556 3.872 1.00 0.00 N ATOM 173 CA ASP A 10 11.782 -1.155 3.308 1.00 0.00 C ATOM 174 C ASP A 10 11.820 0.354 3.112 1.00 0.00 C ATOM 175 O ASP A 10 12.823 0.922 2.670 1.00 0.00 O ATOM 176 CB ASP A 10 12.162 -1.955 2.027 1.00 0.00 C ATOM 177 CG ASP A 10 11.243 -1.778 0.834 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.177 -2.683 -0.005 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.501 -0.799 0.744 1.00 0.00 O ATOM 0 H ASP A 10 9.704 -1.308 3.307 1.00 0.00 H new ATOM 0 HA ASP A 10 12.561 -1.411 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.170 -1.667 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.195 -3.014 2.281 1.00 0.00 H new ATOM 184 N GLY A 11 10.719 0.999 3.458 1.00 0.00 N ATOM 185 CA GLY A 11 10.639 2.432 3.446 1.00 0.00 C ATOM 186 C GLY A 11 10.125 3.022 2.164 1.00 0.00 C ATOM 187 O GLY A 11 10.031 4.246 2.041 1.00 0.00 O ATOM 0 H GLY A 11 9.860 0.535 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.992 2.753 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.630 2.839 3.646 1.00 0.00 H new ATOM 191 N VAL A 12 9.787 2.205 1.211 1.00 0.00 N ATOM 192 CA VAL A 12 9.370 2.726 -0.075 1.00 0.00 C ATOM 193 C VAL A 12 8.379 1.801 -0.775 1.00 0.00 C ATOM 194 O VAL A 12 8.439 0.580 -0.617 1.00 0.00 O ATOM 195 CB VAL A 12 10.638 2.993 -0.970 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.503 1.744 -1.086 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.284 3.546 -2.353 1.00 0.00 C ATOM 0 H VAL A 12 9.788 1.188 1.288 1.00 0.00 H new ATOM 0 HA VAL A 12 8.846 3.667 0.090 1.00 0.00 H new ATOM 0 HB VAL A 12 11.215 3.767 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.371 1.959 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.836 1.438 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.922 0.940 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.198 3.710 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.651 2.832 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.751 4.490 -2.242 1.00 0.00 H new ATOM 207 N VAL A 13 7.427 2.396 -1.468 1.00 0.00 N ATOM 208 CA VAL A 13 6.523 1.679 -2.326 1.00 0.00 C ATOM 209 C VAL A 13 7.279 1.166 -3.568 1.00 0.00 C ATOM 210 O VAL A 13 7.547 1.903 -4.520 1.00 0.00 O ATOM 211 CB VAL A 13 5.301 2.566 -2.725 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.384 2.726 -1.535 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.738 3.957 -3.219 1.00 0.00 C ATOM 0 H VAL A 13 7.263 3.403 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 13 6.129 0.820 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 13 4.781 2.066 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.531 3.345 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.031 1.746 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.927 3.202 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.858 4.541 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.287 4.468 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.380 3.848 -4.093 1.00 0.00 H new ATOM 223 N ASN A 14 7.687 -0.066 -3.500 1.00 0.00 N ATOM 224 CA ASN A 14 8.460 -0.687 -4.545 1.00 0.00 C ATOM 225 C ASN A 14 7.815 -1.965 -5.016 1.00 0.00 C ATOM 226 O ASN A 14 6.808 -2.402 -4.455 1.00 0.00 O ATOM 227 CB ASN A 14 9.932 -0.895 -4.119 1.00 0.00 C ATOM 228 CG ASN A 14 10.165 -1.812 -2.944 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.291 -2.067 -2.112 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.358 -2.265 -2.818 1.00 0.00 N ATOM 0 H ASN A 14 7.492 -0.680 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 14 8.476 -0.006 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.483 -1.287 -4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.361 0.079 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.600 -2.849 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.065 -2.041 -3.518 1.00 0.00 H new ATOM 237 N GLY A 15 8.425 -2.598 -6.009 1.00 0.00 N ATOM 238 CA GLY A 15 7.888 -3.832 -6.598 1.00 0.00 C ATOM 239 C GLY A 15 7.805 -4.989 -5.613 1.00 0.00 C ATOM 240 O GLY A 15 7.019 -5.914 -5.797 1.00 0.00 O ATOM 0 H GLY A 15 9.298 -2.280 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.893 -3.632 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.515 -4.126 -7.440 1.00 0.00 H new ATOM 244 N ARG A 16 8.602 -4.921 -4.559 1.00 0.00 N ATOM 245 CA ARG A 16 8.610 -5.925 -3.503 1.00 0.00 C ATOM 246 C ARG A 16 7.282 -5.960 -2.781 1.00 0.00 C ATOM 247 O ARG A 16 6.821 -7.018 -2.376 1.00 0.00 O ATOM 248 CB ARG A 16 9.690 -5.615 -2.498 1.00 0.00 C ATOM 249 CG ARG A 16 11.101 -5.743 -3.011 1.00 0.00 C ATOM 250 CD ARG A 16 11.463 -7.196 -3.255 1.00 0.00 C ATOM 251 NE ARG A 16 12.857 -7.350 -3.655 1.00 0.00 N ATOM 252 CZ ARG A 16 13.659 -8.363 -3.276 1.00 0.00 C ATOM 253 NH1 ARG A 16 13.307 -9.162 -2.267 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.849 -8.515 -3.848 1.00 0.00 N ATOM 0 H ARG A 16 9.267 -4.162 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 16 8.796 -6.893 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.544 -4.598 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.570 -6.280 -1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.207 -5.178 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.794 -5.308 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.280 -7.773 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.816 -7.606 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 16 13.254 -6.637 -4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.426 -9.007 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.919 -9.928 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.153 -7.865 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.458 -9.282 -3.562 1.00 0.00 H new ATOM 268 N ASP A 17 6.662 -4.799 -2.649 1.00 0.00 N ATOM 269 CA ASP A 17 5.395 -4.676 -1.957 1.00 0.00 C ATOM 270 C ASP A 17 4.320 -5.357 -2.731 1.00 0.00 C ATOM 271 O ASP A 17 3.463 -5.993 -2.156 1.00 0.00 O ATOM 272 CB ASP A 17 5.030 -3.232 -1.732 1.00 0.00 C ATOM 273 CG ASP A 17 6.057 -2.517 -0.915 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.318 -2.889 0.238 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.704 -1.604 -1.406 1.00 0.00 O ATOM 0 H ASP A 17 7.023 -3.919 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 17 5.498 -5.154 -0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.919 -2.732 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.064 -3.176 -1.230 1.00 0.00 H new ATOM 280 N ILE A 18 4.392 -5.225 -4.055 1.00 0.00 N ATOM 281 CA ILE A 18 3.487 -5.910 -4.995 1.00 0.00 C ATOM 282 C ILE A 18 3.461 -7.418 -4.713 1.00 0.00 C ATOM 283 O ILE A 18 2.392 -8.033 -4.669 1.00 0.00 O ATOM 284 CB ILE A 18 3.915 -5.663 -6.498 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.575 -4.258 -6.997 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.295 -6.680 -7.448 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.175 -3.123 -6.254 1.00 0.00 C ATOM 0 H ILE A 18 5.085 -4.635 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 18 2.490 -5.494 -4.848 1.00 0.00 H new ATOM 0 HB ILE A 18 4.999 -5.778 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.884 -4.183 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.491 -4.143 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.618 -6.470 -8.468 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.614 -7.683 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.208 -6.616 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.857 -2.184 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.848 -3.155 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.262 -3.196 -6.294 1.00 0.00 H new ATOM 299 N VAL A 19 4.641 -7.973 -4.492 1.00 0.00 N ATOM 300 CA VAL A 19 4.810 -9.395 -4.195 1.00 0.00 C ATOM 301 C VAL A 19 4.073 -9.731 -2.911 1.00 0.00 C ATOM 302 O VAL A 19 3.215 -10.594 -2.899 1.00 0.00 O ATOM 303 CB VAL A 19 6.306 -9.771 -4.008 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.499 -11.285 -3.930 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.173 -9.159 -5.096 1.00 0.00 C ATOM 0 H VAL A 19 5.517 -7.451 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 19 4.410 -9.958 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 19 6.629 -9.351 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.557 -11.511 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.936 -11.680 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.141 -11.745 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.213 -9.442 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.845 -9.522 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.084 -8.073 -5.065 1.00 0.00 H new ATOM 315 N MET A 20 4.376 -8.968 -1.860 1.00 0.00 N ATOM 316 CA MET A 20 3.811 -9.166 -0.510 1.00 0.00 C ATOM 317 C MET A 20 2.282 -9.067 -0.549 1.00 0.00 C ATOM 318 O MET A 20 1.572 -9.848 0.101 1.00 0.00 O ATOM 319 CB MET A 20 4.327 -8.083 0.428 1.00 0.00 C ATOM 320 CG MET A 20 5.836 -7.891 0.444 1.00 0.00 C ATOM 321 SD MET A 20 6.747 -9.235 1.213 1.00 0.00 S ATOM 322 CE MET A 20 6.297 -9.012 2.934 1.00 0.00 C ATOM 0 H MET A 20 5.027 -8.185 -1.915 1.00 0.00 H new ATOM 0 HA MET A 20 4.111 -10.153 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.861 -7.137 0.152 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.998 -8.317 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.186 -7.771 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.067 -6.964 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.976 -9.586 3.565 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.366 -7.956 3.194 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.276 -9.359 3.091 1.00 0.00 H new ATOM 332 N MET A 21 1.815 -8.083 -1.309 1.00 0.00 N ATOM 333 CA MET A 21 0.400 -7.800 -1.554 1.00 0.00 C ATOM 334 C MET A 21 -0.252 -9.051 -2.094 1.00 0.00 C ATOM 335 O MET A 21 -1.151 -9.610 -1.477 1.00 0.00 O ATOM 336 CB MET A 21 0.324 -6.701 -2.623 1.00 0.00 C ATOM 337 CG MET A 21 -1.050 -6.096 -2.969 1.00 0.00 C ATOM 338 SD MET A 21 -1.600 -4.724 -1.917 1.00 0.00 S ATOM 339 CE MET A 21 -2.008 -5.497 -0.371 1.00 0.00 C ATOM 0 H MET A 21 2.435 -7.433 -1.792 1.00 0.00 H new ATOM 0 HA MET A 21 -0.101 -7.485 -0.639 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.973 -5.885 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.748 -7.105 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.022 -5.748 -4.002 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.797 -6.888 -2.919 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.063 -5.333 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.813 -6.567 -0.437 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.399 -5.065 0.423 1.00 0.00 H new ATOM 349 N ARG A 22 0.294 -9.518 -3.204 1.00 0.00 N ATOM 350 CA ARG A 22 -0.189 -10.673 -3.927 1.00 0.00 C ATOM 351 C ARG A 22 -0.133 -11.957 -3.100 1.00 0.00 C ATOM 352 O ARG A 22 -0.983 -12.826 -3.273 1.00 0.00 O ATOM 353 CB ARG A 22 0.582 -10.826 -5.232 1.00 0.00 C ATOM 354 CG ARG A 22 0.195 -9.833 -6.315 1.00 0.00 C ATOM 355 CD ARG A 22 1.150 -9.915 -7.497 1.00 0.00 C ATOM 356 NE ARG A 22 0.697 -9.115 -8.645 1.00 0.00 N ATOM 357 CZ ARG A 22 1.403 -8.889 -9.771 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.649 -9.320 -9.878 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.856 -8.207 -10.775 1.00 0.00 N ATOM 0 H ARG A 22 1.111 -9.087 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.243 -10.503 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.647 -10.720 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.430 -11.836 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.822 -10.034 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.202 -8.823 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.137 -9.572 -7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.256 -10.956 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.231 -8.695 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.081 -9.827 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.177 -9.146 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.098 -7.855 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.391 -8.036 -11.627 1.00 0.00 H new ATOM 373 N GLN A 23 0.863 -12.078 -2.215 1.00 0.00 N ATOM 374 CA GLN A 23 0.977 -13.229 -1.331 1.00 0.00 C ATOM 375 C GLN A 23 -0.224 -13.315 -0.415 1.00 0.00 C ATOM 376 O GLN A 23 -0.965 -14.307 -0.419 1.00 0.00 O ATOM 377 CB GLN A 23 2.187 -13.104 -0.428 1.00 0.00 C ATOM 378 CG GLN A 23 3.551 -13.004 -1.067 1.00 0.00 C ATOM 379 CD GLN A 23 3.959 -14.246 -1.846 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.141 -14.937 -2.448 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.204 -14.581 -1.779 1.00 0.00 N ATOM 0 H GLN A 23 1.602 -11.385 -2.097 1.00 0.00 H new ATOM 0 HA GLN A 23 1.056 -14.108 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.047 -12.221 0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.195 -13.967 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.565 -12.145 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.292 -12.814 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.864 -13.991 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.527 -15.436 -2.232 1.00 0.00 H new ATOM 390 N TYR A 24 -0.424 -12.253 0.353 1.00 0.00 N ATOM 391 CA TYR A 24 -1.452 -12.215 1.360 1.00 0.00 C ATOM 392 C TYR A 24 -2.837 -12.291 0.726 1.00 0.00 C ATOM 393 O TYR A 24 -3.706 -13.015 1.204 1.00 0.00 O ATOM 394 CB TYR A 24 -1.292 -10.952 2.169 1.00 0.00 C ATOM 395 CG TYR A 24 -2.071 -10.947 3.450 1.00 0.00 C ATOM 396 CD1 TYR A 24 -1.491 -11.372 4.632 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.377 -10.521 3.474 1.00 0.00 C ATOM 398 CE1 TYR A 24 -2.202 -11.368 5.807 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.096 -10.510 4.626 1.00 0.00 C ATOM 400 CZ TYR A 24 -3.507 -10.937 5.805 1.00 0.00 C ATOM 401 OH TYR A 24 -4.225 -10.932 6.982 1.00 0.00 O ATOM 0 H TYR A 24 0.127 -11.397 0.288 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.352 -13.079 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.236 -10.810 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.604 -10.102 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.466 -11.711 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.841 -10.188 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.740 -11.701 6.725 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.121 -10.170 4.623 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.131 -10.598 6.811 1.00 0.00 H new ATOM 411 N LEU A 25 -3.016 -11.542 -0.344 1.00 0.00 N ATOM 412 CA LEU A 25 -4.260 -11.546 -1.149 1.00 0.00 C ATOM 413 C LEU A 25 -4.620 -12.948 -1.648 1.00 0.00 C ATOM 414 O LEU A 25 -5.801 -13.290 -1.751 1.00 0.00 O ATOM 415 CB LEU A 25 -4.162 -10.613 -2.364 1.00 0.00 C ATOM 416 CG LEU A 25 -4.068 -9.109 -2.104 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.922 -8.371 -3.416 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.286 -8.595 -1.364 1.00 0.00 C ATOM 0 H LEU A 25 -2.306 -10.901 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.041 -11.189 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.287 -10.908 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.034 -10.790 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.193 -8.931 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.855 -7.300 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.017 -8.706 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.788 -8.574 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.184 -7.523 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.180 -8.787 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.371 -9.105 -0.405 1.00 0.00 H new ATOM 430 N ALA A 26 -3.610 -13.751 -1.944 1.00 0.00 N ATOM 431 CA ALA A 26 -3.818 -15.124 -2.417 1.00 0.00 C ATOM 432 C ALA A 26 -4.184 -16.053 -1.268 1.00 0.00 C ATOM 433 O ALA A 26 -4.647 -17.170 -1.487 1.00 0.00 O ATOM 434 CB ALA A 26 -2.587 -15.646 -3.129 1.00 0.00 C ATOM 0 H ALA A 26 -2.630 -13.480 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.648 -15.102 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.768 -16.666 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.366 -15.011 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.739 -15.638 -2.444 1.00 0.00 H new ATOM 440 N GLY A 27 -3.974 -15.589 -0.059 1.00 0.00 N ATOM 441 CA GLY A 27 -4.297 -16.360 1.086 1.00 0.00 C ATOM 442 C GLY A 27 -3.087 -16.924 1.778 1.00 0.00 C ATOM 443 O GLY A 27 -3.225 -17.766 2.669 1.00 0.00 O ATOM 0 H GLY A 27 -3.577 -14.672 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.854 -15.740 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.954 -17.178 0.792 1.00 0.00 H new ATOM 447 N LYS A 28 -1.901 -16.470 1.396 1.00 0.00 N ATOM 448 CA LYS A 28 -0.684 -16.957 2.015 1.00 0.00 C ATOM 449 C LYS A 28 -0.364 -16.101 3.219 1.00 0.00 C ATOM 450 O LYS A 28 -0.690 -14.907 3.254 1.00 0.00 O ATOM 451 CB LYS A 28 0.521 -16.905 1.052 1.00 0.00 C ATOM 452 CG LYS A 28 0.259 -17.453 -0.335 1.00 0.00 C ATOM 453 CD LYS A 28 1.526 -17.413 -1.172 1.00 0.00 C ATOM 454 CE LYS A 28 1.306 -17.958 -2.577 1.00 0.00 C ATOM 455 NZ LYS A 28 0.909 -19.379 -2.569 1.00 0.00 N ATOM 0 H LYS A 28 -1.760 -15.771 0.666 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.854 -17.996 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.849 -15.869 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.346 -17.462 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.105 -18.478 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.523 -16.870 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.885 -16.386 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.305 -17.993 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.536 -17.370 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.221 -17.842 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.951 -19.757 -3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.557 -19.917 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.061 -19.466 -2.206 1.00 0.00 H new ATOM 469 N THR A 29 0.258 -16.688 4.190 1.00 0.00 N ATOM 470 CA THR A 29 0.694 -15.959 5.331 1.00 0.00 C ATOM 471 C THR A 29 2.117 -15.520 5.042 1.00 0.00 C ATOM 472 O THR A 29 3.025 -16.350 4.925 1.00 0.00 O ATOM 473 CB THR A 29 0.667 -16.814 6.614 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.621 -17.453 6.755 1.00 0.00 O ATOM 475 CG2 THR A 29 0.909 -15.932 7.828 1.00 0.00 C ATOM 0 H THR A 29 0.477 -17.684 4.212 1.00 0.00 H new ATOM 0 HA THR A 29 0.027 -15.115 5.505 1.00 0.00 H new ATOM 0 HB THR A 29 1.448 -17.571 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.629 -17.995 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.889 -16.542 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.882 -15.449 7.738 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.130 -15.172 7.886 1.00 0.00 H new ATOM 483 N VAL A 30 2.299 -14.251 4.871 1.00 0.00 N ATOM 484 CA VAL A 30 3.584 -13.725 4.504 1.00 0.00 C ATOM 485 C VAL A 30 4.353 -13.423 5.768 1.00 0.00 C ATOM 486 O VAL A 30 3.865 -12.684 6.626 1.00 0.00 O ATOM 487 CB VAL A 30 3.452 -12.420 3.695 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.678 -12.188 2.833 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.178 -12.385 2.880 1.00 0.00 C ATOM 0 H VAL A 30 1.568 -13.548 4.980 1.00 0.00 H new ATOM 0 HA VAL A 30 4.096 -14.464 3.888 1.00 0.00 H new ATOM 0 HB VAL A 30 3.388 -11.598 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.559 -11.261 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.561 -12.117 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.797 -13.019 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.126 -11.448 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.170 -13.221 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.318 -12.461 3.546 1.00 0.00 H new ATOM 499 N SER A 31 5.495 -14.020 5.915 1.00 0.00 N ATOM 500 CA SER A 31 6.319 -13.767 7.051 1.00 0.00 C ATOM 501 C SER A 31 7.010 -12.414 6.900 1.00 0.00 C ATOM 502 O SER A 31 7.613 -12.118 5.843 1.00 0.00 O ATOM 503 CB SER A 31 7.337 -14.904 7.259 1.00 0.00 C ATOM 504 OG SER A 31 8.120 -14.693 8.433 1.00 0.00 O ATOM 0 H SER A 31 5.879 -14.694 5.252 1.00 0.00 H new ATOM 0 HA SER A 31 5.692 -13.733 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.811 -15.856 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.992 -14.972 6.390 1.00 0.00 H new ATOM 0 HG SER A 31 8.756 -15.431 8.539 1.00 0.00 H new ATOM 510 N GLY A 32 6.881 -11.582 7.917 1.00 0.00 N ATOM 511 CA GLY A 32 7.547 -10.314 7.902 1.00 0.00 C ATOM 512 C GLY A 32 6.801 -9.278 7.106 1.00 0.00 C ATOM 513 O GLY A 32 7.412 -8.445 6.427 1.00 0.00 O ATOM 0 H GLY A 32 6.325 -11.768 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.671 -9.961 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.546 -10.438 7.484 1.00 0.00 H new ATOM 517 N ILE A 33 5.500 -9.336 7.137 1.00 0.00 N ATOM 518 CA ILE A 33 4.719 -8.370 6.449 1.00 0.00 C ATOM 519 C ILE A 33 4.063 -7.464 7.465 1.00 0.00 C ATOM 520 O ILE A 33 3.717 -7.909 8.579 1.00 0.00 O ATOM 521 CB ILE A 33 3.650 -9.045 5.521 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.105 -8.040 4.516 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.481 -9.672 6.326 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.241 -8.683 3.445 1.00 0.00 C ATOM 0 H ILE A 33 4.964 -10.047 7.635 1.00 0.00 H new ATOM 0 HA ILE A 33 5.369 -7.783 5.800 1.00 0.00 H new ATOM 0 HB ILE A 33 4.156 -9.853 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.520 -7.287 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.938 -7.521 4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.768 -10.126 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.871 -10.434 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.981 -8.896 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.882 -7.916 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.830 -9.416 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.390 -9.178 3.913 1.00 0.00 H new ATOM 536 N ASP A 34 3.946 -6.206 7.146 1.00 0.00 N ATOM 537 CA ASP A 34 3.209 -5.340 8.018 1.00 0.00 C ATOM 538 C ASP A 34 1.802 -5.398 7.548 1.00 0.00 C ATOM 539 O ASP A 34 1.460 -4.750 6.573 1.00 0.00 O ATOM 540 CB ASP A 34 3.688 -3.892 8.014 1.00 0.00 C ATOM 541 CG ASP A 34 3.118 -3.150 9.206 1.00 0.00 C ATOM 542 OD1 ASP A 34 2.005 -2.590 9.125 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.756 -3.171 10.273 1.00 0.00 O ATOM 0 H ASP A 34 4.339 -5.768 6.313 1.00 0.00 H new ATOM 0 HA ASP A 34 3.341 -5.679 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.777 -3.861 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.381 -3.402 7.090 1.00 0.00 H new ATOM 548 N LYS A 35 1.001 -6.221 8.211 1.00 0.00 N ATOM 549 CA LYS A 35 -0.373 -6.522 7.807 1.00 0.00 C ATOM 550 C LYS A 35 -1.222 -5.255 7.638 1.00 0.00 C ATOM 551 O LYS A 35 -2.116 -5.185 6.781 1.00 0.00 O ATOM 552 CB LYS A 35 -1.044 -7.412 8.840 1.00 0.00 C ATOM 553 CG LYS A 35 -2.365 -7.977 8.358 1.00 0.00 C ATOM 554 CD LYS A 35 -3.272 -8.372 9.518 1.00 0.00 C ATOM 555 CE LYS A 35 -2.724 -9.554 10.303 1.00 0.00 C ATOM 556 NZ LYS A 35 -2.645 -10.763 9.465 1.00 0.00 N ATOM 0 H LYS A 35 1.289 -6.708 9.059 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.309 -7.029 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.374 -8.233 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.210 -6.840 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.871 -7.238 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.180 -8.848 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.395 -7.520 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.261 -8.621 9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.734 -9.310 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.362 -9.748 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.969 -11.586 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.249 -10.644 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.661 -10.913 9.164 1.00 0.00 H new ATOM 570 N ASN A 36 -0.912 -4.254 8.421 1.00 0.00 N ATOM 571 CA ASN A 36 -1.662 -3.041 8.437 1.00 0.00 C ATOM 572 C ASN A 36 -1.282 -2.145 7.272 1.00 0.00 C ATOM 573 O ASN A 36 -2.051 -1.270 6.889 1.00 0.00 O ATOM 574 CB ASN A 36 -1.465 -2.299 9.765 1.00 0.00 C ATOM 575 CG ASN A 36 -1.935 -3.075 10.978 1.00 0.00 C ATOM 576 OD1 ASN A 36 -3.106 -3.026 11.343 1.00 0.00 O ATOM 577 ND2 ASN A 36 -1.024 -3.750 11.647 1.00 0.00 N ATOM 0 H ASN A 36 -0.124 -4.266 9.068 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.716 -3.301 8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.408 -2.063 9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.001 -1.351 9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.283 -4.253 12.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.059 -3.770 11.316 1.00 0.00 H new ATOM 584 N ALA A 37 -0.122 -2.404 6.662 1.00 0.00 N ATOM 585 CA ALA A 37 0.382 -1.562 5.586 1.00 0.00 C ATOM 586 C ALA A 37 -0.202 -1.976 4.254 1.00 0.00 C ATOM 587 O ALA A 37 -0.006 -1.295 3.246 1.00 0.00 O ATOM 588 CB ALA A 37 1.897 -1.606 5.537 1.00 0.00 C ATOM 0 H ALA A 37 0.482 -3.191 6.899 1.00 0.00 H new ATOM 0 HA ALA A 37 0.072 -0.537 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.253 -0.970 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.302 -1.248 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.226 -2.631 5.366 1.00 0.00 H new ATOM 594 N LEU A 38 -0.920 -3.096 4.267 1.00 0.00 N ATOM 595 CA LEU A 38 -1.572 -3.633 3.081 1.00 0.00 C ATOM 596 C LEU A 38 -2.811 -2.883 2.761 1.00 0.00 C ATOM 597 O LEU A 38 -3.215 -2.843 1.629 1.00 0.00 O ATOM 598 CB LEU A 38 -1.951 -5.109 3.225 1.00 0.00 C ATOM 599 CG LEU A 38 -0.852 -6.145 3.111 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.087 -6.072 4.232 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.429 -7.510 3.024 1.00 0.00 C ATOM 0 H LEU A 38 -1.065 -3.658 5.106 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.839 -3.529 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.429 -5.237 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.702 -5.335 2.468 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.299 -5.928 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.859 -6.832 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.550 -5.085 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.448 -6.244 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.624 -8.241 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.016 -7.715 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.071 -7.578 2.146 1.00 0.00 H new ATOM 613 N ASP A 39 -3.426 -2.296 3.757 1.00 0.00 N ATOM 614 CA ASP A 39 -4.649 -1.564 3.552 1.00 0.00 C ATOM 615 C ASP A 39 -4.315 -0.137 3.206 1.00 0.00 C ATOM 616 O ASP A 39 -4.351 0.771 4.024 1.00 0.00 O ATOM 617 CB ASP A 39 -5.564 -1.696 4.748 1.00 0.00 C ATOM 618 CG ASP A 39 -6.855 -0.928 4.626 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.526 -0.986 3.559 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.261 -0.292 5.614 1.00 0.00 O ATOM 0 H ASP A 39 -3.097 -2.312 4.722 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.204 -1.984 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.795 -2.750 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.033 -1.354 5.637 1.00 0.00 H new ATOM 625 N ILE A 40 -3.903 -0.004 1.988 1.00 0.00 N ATOM 626 CA ILE A 40 -3.373 1.200 1.421 1.00 0.00 C ATOM 627 C ILE A 40 -4.459 2.227 1.151 1.00 0.00 C ATOM 628 O ILE A 40 -4.233 3.430 1.299 1.00 0.00 O ATOM 629 CB ILE A 40 -2.588 0.852 0.137 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.590 -0.252 0.476 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.853 2.083 -0.389 1.00 0.00 C ATOM 632 CD1 ILE A 40 -0.953 -0.911 -0.707 1.00 0.00 C ATOM 0 H ILE A 40 -3.927 -0.775 1.321 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.695 1.658 2.142 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.275 0.515 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.806 0.168 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.099 -1.013 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.305 1.820 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.574 2.868 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.154 2.440 0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.260 -1.680 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.724 -1.366 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.410 -0.167 -1.289 1.00 0.00 H new ATOM 644 N ASN A 41 -5.646 1.768 0.788 1.00 0.00 N ATOM 645 CA ASN A 41 -6.739 2.698 0.521 1.00 0.00 C ATOM 646 C ASN A 41 -7.420 3.101 1.833 1.00 0.00 C ATOM 647 O ASN A 41 -8.232 4.021 1.861 1.00 0.00 O ATOM 648 CB ASN A 41 -7.775 2.134 -0.488 1.00 0.00 C ATOM 649 CG ASN A 41 -8.729 1.101 0.082 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.421 0.370 1.014 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.880 1.009 -0.492 1.00 0.00 N ATOM 0 H ASN A 41 -5.878 0.781 0.673 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.304 3.582 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.358 2.963 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.238 1.688 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.556 0.316 -0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.114 1.629 -1.267 1.00 0.00 H new ATOM 658 N GLY A 42 -7.066 2.397 2.907 1.00 0.00 N ATOM 659 CA GLY A 42 -7.606 2.675 4.222 1.00 0.00 C ATOM 660 C GLY A 42 -9.092 2.354 4.362 1.00 0.00 C ATOM 661 O GLY A 42 -9.887 3.241 4.675 1.00 0.00 O ATOM 0 H GLY A 42 -6.401 1.624 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.049 2.100 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.449 3.729 4.453 1.00 0.00 H new ATOM 665 N ASP A 43 -9.473 1.113 4.125 1.00 0.00 N ATOM 666 CA ASP A 43 -10.887 0.704 4.271 1.00 0.00 C ATOM 667 C ASP A 43 -11.063 -0.306 5.397 1.00 0.00 C ATOM 668 O ASP A 43 -12.188 -0.615 5.805 1.00 0.00 O ATOM 669 CB ASP A 43 -11.535 0.172 2.954 1.00 0.00 C ATOM 670 CG ASP A 43 -10.852 -1.039 2.333 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.824 -1.174 1.104 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.243 -1.832 3.011 1.00 0.00 O ATOM 0 H ASP A 43 -8.843 0.366 3.833 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.422 1.619 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.575 -0.083 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.543 0.979 2.221 1.00 0.00 H new ATOM 677 N GLY A 44 -9.963 -0.827 5.889 1.00 0.00 N ATOM 678 CA GLY A 44 -10.009 -1.773 6.971 1.00 0.00 C ATOM 679 C GLY A 44 -9.883 -3.212 6.517 1.00 0.00 C ATOM 680 O GLY A 44 -9.850 -4.126 7.341 1.00 0.00 O ATOM 0 H GLY A 44 -9.025 -0.609 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.206 -1.550 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.948 -1.651 7.511 1.00 0.00 H new ATOM 684 N ALA A 45 -9.821 -3.430 5.228 1.00 0.00 N ATOM 685 CA ALA A 45 -9.708 -4.767 4.683 1.00 0.00 C ATOM 686 C ALA A 45 -8.590 -4.828 3.662 1.00 0.00 C ATOM 687 O ALA A 45 -8.291 -3.838 3.002 1.00 0.00 O ATOM 688 CB ALA A 45 -11.022 -5.187 4.040 1.00 0.00 C ATOM 0 H ALA A 45 -9.847 -2.691 4.525 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.478 -5.454 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.923 -6.194 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.814 -5.174 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.271 -4.495 3.236 1.00 0.00 H new ATOM 694 N VAL A 46 -7.985 -5.966 3.531 1.00 0.00 N ATOM 695 CA VAL A 46 -6.945 -6.183 2.586 1.00 0.00 C ATOM 696 C VAL A 46 -7.576 -6.744 1.312 1.00 0.00 C ATOM 697 O VAL A 46 -7.949 -7.929 1.244 1.00 0.00 O ATOM 698 CB VAL A 46 -5.905 -7.163 3.151 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.814 -7.354 2.167 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.340 -6.662 4.477 1.00 0.00 C ATOM 0 H VAL A 46 -8.209 -6.787 4.093 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.431 -5.247 2.368 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.396 -8.118 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.078 -8.049 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.225 -7.757 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.335 -6.396 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.607 -7.376 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.861 -5.695 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.148 -6.557 5.201 1.00 0.00 H new ATOM 710 N ASN A 47 -7.737 -5.882 0.344 1.00 0.00 N ATOM 711 CA ASN A 47 -8.456 -6.189 -0.879 1.00 0.00 C ATOM 712 C ASN A 47 -7.734 -5.684 -2.124 1.00 0.00 C ATOM 713 O ASN A 47 -6.693 -5.032 -2.022 1.00 0.00 O ATOM 714 CB ASN A 47 -9.917 -5.667 -0.781 1.00 0.00 C ATOM 715 CG ASN A 47 -10.060 -4.245 -0.198 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.233 -3.349 -0.400 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.073 -4.051 0.585 1.00 0.00 N ATOM 0 H ASN A 47 -7.370 -4.931 0.376 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.492 -7.273 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.361 -5.682 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.493 -6.357 -0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.197 -3.149 1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.747 -4.800 0.742 1.00 0.00 H new ATOM 724 N GLY A 48 -8.306 -5.965 -3.308 1.00 0.00 N ATOM 725 CA GLY A 48 -7.694 -5.567 -4.582 1.00 0.00 C ATOM 726 C GLY A 48 -7.665 -4.067 -4.783 1.00 0.00 C ATOM 727 O GLY A 48 -6.920 -3.562 -5.615 1.00 0.00 O ATOM 0 H GLY A 48 -9.189 -6.465 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.676 -5.953 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.245 -6.027 -5.402 1.00 0.00 H new ATOM 731 N ARG A 49 -8.476 -3.362 -4.007 1.00 0.00 N ATOM 732 CA ARG A 49 -8.505 -1.902 -4.001 1.00 0.00 C ATOM 733 C ARG A 49 -7.146 -1.384 -3.562 1.00 0.00 C ATOM 734 O ARG A 49 -6.618 -0.448 -4.133 1.00 0.00 O ATOM 735 CB ARG A 49 -9.550 -1.413 -3.006 1.00 0.00 C ATOM 736 CG ARG A 49 -10.987 -1.821 -3.302 1.00 0.00 C ATOM 737 CD ARG A 49 -11.664 -0.912 -4.325 1.00 0.00 C ATOM 738 NE ARG A 49 -11.012 -0.895 -5.646 1.00 0.00 N ATOM 739 CZ ARG A 49 -11.016 0.164 -6.474 1.00 0.00 C ATOM 740 NH1 ARG A 49 -11.689 1.263 -6.152 1.00 0.00 N ATOM 741 NH2 ARG A 49 -10.368 0.112 -7.617 1.00 0.00 N ATOM 0 H ARG A 49 -9.138 -3.788 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.749 -1.542 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.283 -1.783 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.502 -0.325 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.000 -2.847 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.561 -1.808 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.699 -1.230 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.688 0.104 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.528 -1.739 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.205 1.306 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.689 2.064 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.860 -0.734 -7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.373 0.917 -8.243 1.00 0.00 H new ATOM 755 N ASP A 50 -6.578 -2.060 -2.569 1.00 0.00 N ATOM 756 CA ASP A 50 -5.281 -1.713 -2.011 1.00 0.00 C ATOM 757 C ASP A 50 -4.209 -2.017 -2.997 1.00 0.00 C ATOM 758 O ASP A 50 -3.263 -1.271 -3.133 1.00 0.00 O ATOM 759 CB ASP A 50 -5.003 -2.507 -0.765 1.00 0.00 C ATOM 760 CG ASP A 50 -6.027 -2.329 0.279 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.712 -3.285 0.653 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.259 -1.214 0.731 1.00 0.00 O ATOM 0 H ASP A 50 -7.011 -2.871 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.296 -0.649 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.937 -3.564 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.032 -2.215 -0.365 1.00 0.00 H new ATOM 767 N LEU A 51 -4.380 -3.123 -3.692 1.00 0.00 N ATOM 768 CA LEU A 51 -3.479 -3.542 -4.753 1.00 0.00 C ATOM 769 C LEU A 51 -3.428 -2.467 -5.838 1.00 0.00 C ATOM 770 O LEU A 51 -2.359 -2.058 -6.263 1.00 0.00 O ATOM 771 CB LEU A 51 -3.957 -4.892 -5.315 1.00 0.00 C ATOM 772 CG LEU A 51 -3.283 -5.441 -6.586 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.777 -5.622 -6.417 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.921 -6.762 -6.943 1.00 0.00 C ATOM 0 H LEU A 51 -5.157 -3.766 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.469 -3.671 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.839 -5.638 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.025 -4.807 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.427 -4.714 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.351 -6.011 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.319 -4.661 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.584 -6.323 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.452 -7.161 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.787 -7.465 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.986 -6.615 -7.124 1.00 0.00 H new ATOM 786 N MET A 52 -4.595 -1.968 -6.223 1.00 0.00 N ATOM 787 CA MET A 52 -4.702 -0.906 -7.224 1.00 0.00 C ATOM 788 C MET A 52 -4.107 0.406 -6.715 1.00 0.00 C ATOM 789 O MET A 52 -3.641 1.243 -7.499 1.00 0.00 O ATOM 790 CB MET A 52 -6.146 -0.708 -7.670 1.00 0.00 C ATOM 791 CG MET A 52 -6.716 -1.901 -8.407 1.00 0.00 C ATOM 792 SD MET A 52 -8.384 -1.617 -9.000 1.00 0.00 S ATOM 793 CE MET A 52 -8.730 -3.180 -9.781 1.00 0.00 C ATOM 0 H MET A 52 -5.492 -2.284 -5.854 1.00 0.00 H new ATOM 0 HA MET A 52 -4.122 -1.221 -8.091 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.763 -0.501 -6.796 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.202 0.169 -8.315 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.071 -2.143 -9.252 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.713 -2.767 -7.745 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.736 -3.162 -10.201 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.007 -3.357 -10.578 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.659 -3.979 -9.043 1.00 0.00 H new ATOM 803 N GLU A 53 -4.133 0.592 -5.413 1.00 0.00 N ATOM 804 CA GLU A 53 -3.501 1.733 -4.783 1.00 0.00 C ATOM 805 C GLU A 53 -2.012 1.591 -4.831 1.00 0.00 C ATOM 806 O GLU A 53 -1.320 2.527 -5.178 1.00 0.00 O ATOM 807 CB GLU A 53 -3.937 1.892 -3.339 1.00 0.00 C ATOM 808 CG GLU A 53 -5.352 2.364 -3.173 1.00 0.00 C ATOM 809 CD GLU A 53 -5.540 3.731 -3.758 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.035 3.844 -4.889 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.134 4.723 -3.117 1.00 0.00 O ATOM 0 H GLU A 53 -4.593 -0.043 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.810 2.620 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.823 0.935 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.270 2.598 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.031 1.662 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.611 2.380 -2.114 1.00 0.00 H new ATOM 818 N LEU A 54 -1.540 0.404 -4.501 1.00 0.00 N ATOM 819 CA LEU A 54 -0.127 0.072 -4.481 1.00 0.00 C ATOM 820 C LEU A 54 0.496 0.293 -5.837 1.00 0.00 C ATOM 821 O LEU A 54 1.536 0.920 -5.942 1.00 0.00 O ATOM 822 CB LEU A 54 0.061 -1.373 -4.057 1.00 0.00 C ATOM 823 CG LEU A 54 1.494 -1.833 -3.822 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.175 -0.957 -2.783 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.493 -3.267 -3.374 1.00 0.00 C ATOM 0 H LEU A 54 -2.142 -0.375 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 54 0.368 0.726 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.504 -1.535 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.381 -2.013 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 54 2.051 -1.747 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.197 -1.302 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.189 0.076 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.627 -1.016 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.518 -3.596 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.926 -3.358 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.034 -3.888 -4.143 1.00 0.00 H new ATOM 837 N ILE A 55 -0.169 -0.202 -6.862 1.00 0.00 N ATOM 838 CA ILE A 55 0.253 -0.010 -8.251 1.00 0.00 C ATOM 839 C ILE A 55 0.363 1.492 -8.546 1.00 0.00 C ATOM 840 O ILE A 55 1.323 1.917 -9.127 1.00 0.00 O ATOM 841 CB ILE A 55 -0.725 -0.715 -9.247 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.809 -2.223 -8.919 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.250 -0.522 -10.692 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.896 -2.990 -9.667 1.00 0.00 C ATOM 0 H ILE A 55 -1.022 -0.752 -6.763 1.00 0.00 H new ATOM 0 HA ILE A 55 1.231 -0.471 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.713 -0.267 -9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.155 -2.681 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.977 -2.337 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.942 -1.019 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.215 0.542 -10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.745 -0.952 -10.809 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.873 -4.038 -9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.871 -2.566 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.721 -2.915 -10.740 1.00 0.00 H new ATOM 856 N LYS A 56 -0.589 2.283 -8.058 1.00 0.00 N ATOM 857 CA LYS A 56 -0.538 3.750 -8.190 1.00 0.00 C ATOM 858 C LYS A 56 0.718 4.339 -7.525 1.00 0.00 C ATOM 859 O LYS A 56 1.405 5.171 -8.115 1.00 0.00 O ATOM 860 CB LYS A 56 -1.829 4.403 -7.627 1.00 0.00 C ATOM 861 CG LYS A 56 -1.718 5.905 -7.299 1.00 0.00 C ATOM 862 CD LYS A 56 -3.090 6.562 -7.112 1.00 0.00 C ATOM 863 CE LYS A 56 -3.909 5.978 -5.958 1.00 0.00 C ATOM 864 NZ LYS A 56 -3.329 6.237 -4.614 1.00 0.00 N ATOM 0 H LYS A 56 -1.412 1.938 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.478 3.981 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.632 4.264 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.121 3.871 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.129 6.034 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.181 6.411 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.950 7.629 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.659 6.460 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.916 6.393 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.003 4.901 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.859 5.701 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.333 5.939 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.389 7.253 -4.400 1.00 0.00 H new ATOM 878 N LYS A 57 1.025 3.854 -6.336 1.00 0.00 N ATOM 879 CA LYS A 57 2.157 4.332 -5.536 1.00 0.00 C ATOM 880 C LYS A 57 3.488 3.961 -6.204 1.00 0.00 C ATOM 881 O LYS A 57 4.368 4.802 -6.388 1.00 0.00 O ATOM 882 CB LYS A 57 2.112 3.696 -4.142 1.00 0.00 C ATOM 883 CG LYS A 57 0.771 3.769 -3.417 1.00 0.00 C ATOM 884 CD LYS A 57 0.325 5.176 -3.054 1.00 0.00 C ATOM 885 CE LYS A 57 1.155 5.728 -1.896 1.00 0.00 C ATOM 886 NZ LYS A 57 0.646 7.025 -1.409 1.00 0.00 N ATOM 0 H LYS A 57 0.494 3.108 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 57 2.084 5.417 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.397 2.648 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.866 4.178 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.007 3.310 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.833 3.175 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.424 5.829 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.730 5.168 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.154 5.009 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.190 5.844 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.241 7.359 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.671 7.720 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.333 6.911 -1.077 1.00 0.00 H new ATOM 900 N VAL A 58 3.610 2.713 -6.572 1.00 0.00 N ATOM 901 CA VAL A 58 4.814 2.180 -7.171 1.00 0.00 C ATOM 902 C VAL A 58 5.013 2.681 -8.614 1.00 0.00 C ATOM 903 O VAL A 58 6.149 2.905 -9.059 1.00 0.00 O ATOM 904 CB VAL A 58 4.775 0.648 -7.097 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.011 0.017 -7.707 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.633 0.232 -5.645 1.00 0.00 C ATOM 0 H VAL A 58 2.866 2.024 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 58 5.676 2.541 -6.610 1.00 0.00 H new ATOM 0 HB VAL A 58 3.921 0.296 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.940 -1.068 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.086 0.304 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.896 0.360 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.604 -0.856 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.482 0.608 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.710 0.645 -5.237 1.00 0.00 H new ATOM 916 N SER A 59 3.914 2.926 -9.317 1.00 0.00 N ATOM 917 CA SER A 59 3.999 3.464 -10.669 1.00 0.00 C ATOM 918 C SER A 59 4.310 4.958 -10.608 1.00 0.00 C ATOM 919 O SER A 59 4.642 5.576 -11.614 1.00 0.00 O ATOM 920 CB SER A 59 2.713 3.231 -11.482 1.00 0.00 C ATOM 921 OG SER A 59 2.402 1.845 -11.574 1.00 0.00 O ATOM 0 H SER A 59 2.965 2.763 -8.979 1.00 0.00 H new ATOM 0 HA SER A 59 4.801 2.932 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.884 3.761 -11.014 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.833 3.646 -12.483 1.00 0.00 H new ATOM 0 HG SER A 59 1.904 1.568 -10.777 1.00 0.00 H new ATOM 927 N ASN A 60 4.161 5.531 -9.425 1.00 0.00 N ATOM 928 CA ASN A 60 4.467 6.902 -9.180 1.00 0.00 C ATOM 929 C ASN A 60 5.953 7.024 -8.879 1.00 0.00 C ATOM 930 O ASN A 60 6.656 7.832 -9.488 1.00 0.00 O ATOM 931 CB ASN A 60 3.654 7.407 -7.978 1.00 0.00 C ATOM 932 CG ASN A 60 3.845 8.871 -7.698 1.00 0.00 C ATOM 933 OD1 ASN A 60 3.847 9.297 -6.546 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.925 9.645 -8.725 1.00 0.00 N ATOM 0 H ASN A 60 3.817 5.034 -8.603 1.00 0.00 H new ATOM 0 HA ASN A 60 4.214 7.500 -10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.596 7.215 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.936 6.836 -7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.994 10.655 -8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.920 9.248 -9.665 1.00 0.00 H new ATOM 941 N ASN A 61 6.426 6.192 -7.959 1.00 0.00 N ATOM 942 CA ASN A 61 7.816 6.209 -7.549 1.00 0.00 C ATOM 943 C ASN A 61 8.702 5.359 -8.475 1.00 0.00 C ATOM 944 O ASN A 61 9.166 5.843 -9.509 1.00 0.00 O ATOM 945 CB ASN A 61 7.967 5.791 -6.064 1.00 0.00 C ATOM 946 CG ASN A 61 9.404 5.877 -5.536 1.00 0.00 C ATOM 947 OD1 ASN A 61 10.176 4.921 -5.595 1.00 0.00 O ATOM 948 ND2 ASN A 61 9.756 7.012 -5.021 1.00 0.00 N ATOM 0 H ASN A 61 5.857 5.493 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 61 8.168 7.237 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.327 6.426 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.608 4.769 -5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.698 7.133 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.091 7.785 -4.988 1.00 0.00 H new ATOM 955 N THR A 62 8.903 4.097 -8.137 1.00 0.00 N ATOM 956 CA THR A 62 9.783 3.195 -8.864 1.00 0.00 C ATOM 957 C THR A 62 9.448 1.770 -8.419 1.00 0.00 C ATOM 958 O THR A 62 9.065 1.564 -7.271 1.00 0.00 O ATOM 959 CB THR A 62 11.298 3.504 -8.519 1.00 0.00 C ATOM 960 OG1 THR A 62 11.629 4.865 -8.852 1.00 0.00 O ATOM 961 CG2 THR A 62 12.262 2.580 -9.258 1.00 0.00 C ATOM 0 H THR A 62 8.451 3.661 -7.334 1.00 0.00 H new ATOM 0 HA THR A 62 9.642 3.319 -9.938 1.00 0.00 H new ATOM 0 HB THR A 62 11.407 3.338 -7.447 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.568 5.037 -8.630 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.287 2.832 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.058 1.545 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.130 2.701 -10.333 1.00 0.00 H new ATOM 969 N SER A 63 9.557 0.821 -9.317 1.00 0.00 N ATOM 970 CA SER A 63 9.318 -0.555 -9.001 1.00 0.00 C ATOM 971 C SER A 63 10.608 -1.187 -8.480 1.00 0.00 C ATOM 972 O SER A 63 10.737 -1.346 -7.250 1.00 0.00 O ATOM 973 CB SER A 63 8.797 -1.273 -10.233 1.00 0.00 C ATOM 974 OG SER A 63 7.664 -0.578 -10.745 1.00 0.00 O ATOM 975 OXT SER A 63 11.530 -1.464 -9.279 1.00 0.00 O ATOM 0 H SER A 63 9.815 0.988 -10.289 1.00 0.00 H new ATOM 0 HA SER A 63 8.563 -0.639 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.577 -1.327 -10.992 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.525 -2.298 -9.982 1.00 0.00 H new ATOM 0 HG SER A 63 7.329 -1.041 -11.541 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.458 -1.657 0.110 1.00 0.00 CA HETATM 983 CA CA A 102 -8.339 -1.929 1.635 1.00 0.00 CA