USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 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 23 GLN : amide:sc= -1.62 K(o=-1.6,f=-7!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 0 SER OG : rot 180:sc= 0.141 USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0.787 K(o=0.79,f=-0.05) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -153:sc= -1.02 (180deg=-1.02) USER MOD Single : A 21 MET CE :methyl -117:sc= -2.05 (180deg=-2.6) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.74 K(o=0.74,f=-0.021) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.02) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -78:sc= 1.26 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 61 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.46) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : A 63 SER OG : rot 180:sc= -0.089 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 6.986 8.367 7.760 1.00 0.00 N ATOM 2 CA GLY A -3 6.139 8.482 8.933 1.00 0.00 C ATOM 3 C GLY A -3 4.915 9.298 8.630 1.00 0.00 C ATOM 4 O GLY A -3 5.019 10.449 8.222 1.00 0.00 O ATOM 0 H1 GLY A -3 7.826 7.799 7.992 1.00 0.00 H new ATOM 0 H2 GLY A -3 6.457 7.904 6.994 1.00 0.00 H new ATOM 0 H3 GLY A -3 7.283 9.315 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A -3 5.844 7.489 9.273 1.00 0.00 H new ATOM 0 HA3 GLY A -3 6.698 8.945 9.746 1.00 0.00 H new ATOM 10 N SER A -2 3.762 8.700 8.764 1.00 0.00 N ATOM 11 CA SER A -2 2.509 9.383 8.576 1.00 0.00 C ATOM 12 C SER A -2 1.587 9.002 9.718 1.00 0.00 C ATOM 13 O SER A -2 0.885 7.992 9.644 1.00 0.00 O ATOM 14 CB SER A -2 1.886 9.016 7.221 1.00 0.00 C ATOM 15 OG SER A -2 2.799 9.286 6.156 1.00 0.00 O ATOM 0 H SER A -2 3.664 7.715 9.009 1.00 0.00 H new ATOM 0 HA SER A -2 2.669 10.461 8.574 1.00 0.00 H new ATOM 0 HB2 SER A -2 1.613 7.961 7.214 1.00 0.00 H new ATOM 0 HB3 SER A -2 0.967 9.583 7.072 1.00 0.00 H new ATOM 0 HG SER A -2 2.385 9.044 5.301 1.00 0.00 H new ATOM 21 N ALA A -1 1.732 9.741 10.838 1.00 0.00 N ATOM 22 CA ALA A -1 0.972 9.554 12.104 1.00 0.00 C ATOM 23 C ALA A -1 1.257 8.192 12.756 1.00 0.00 C ATOM 24 O ALA A -1 0.616 7.807 13.751 1.00 0.00 O ATOM 25 CB ALA A -1 -0.527 9.754 11.894 1.00 0.00 C ATOM 0 H ALA A -1 2.400 10.509 10.894 1.00 0.00 H new ATOM 0 HA ALA A -1 1.321 10.323 12.793 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.049 9.610 12.840 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -0.712 10.764 11.528 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.892 9.031 11.164 1.00 0.00 H new ATOM 31 N SER A 0 2.254 7.517 12.228 1.00 0.00 N ATOM 32 CA SER A 0 2.628 6.196 12.603 1.00 0.00 C ATOM 33 C SER A 0 3.832 5.814 11.774 1.00 0.00 C ATOM 34 O SER A 0 4.122 6.457 10.744 1.00 0.00 O ATOM 35 CB SER A 0 1.478 5.208 12.309 1.00 0.00 C ATOM 36 OG SER A 0 1.789 3.896 12.754 1.00 0.00 O ATOM 0 H SER A 0 2.845 7.904 11.492 1.00 0.00 H new ATOM 0 HA SER A 0 2.852 6.158 13.669 1.00 0.00 H new ATOM 0 HB2 SER A 0 0.567 5.553 12.799 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.277 5.191 11.238 1.00 0.00 H new ATOM 0 HG SER A 0 1.040 3.297 12.554 1.00 0.00 H new ATOM 42 N ASN A 1 4.520 4.776 12.198 1.00 0.00 N ATOM 43 CA ASN A 1 5.661 4.248 11.469 1.00 0.00 C ATOM 44 C ASN A 1 5.118 3.294 10.389 1.00 0.00 C ATOM 45 O ASN A 1 5.820 2.930 9.439 1.00 0.00 O ATOM 46 CB ASN A 1 6.631 3.534 12.451 1.00 0.00 C ATOM 47 CG ASN A 1 8.069 3.250 11.934 1.00 0.00 C ATOM 48 OD1 ASN A 1 9.018 3.239 12.725 1.00 0.00 O ATOM 49 ND2 ASN A 1 8.256 3.010 10.663 1.00 0.00 N ATOM 0 H ASN A 1 4.307 4.271 13.058 1.00 0.00 H new ATOM 0 HA ASN A 1 6.232 5.043 10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 1 6.708 4.141 13.353 1.00 0.00 H new ATOM 0 HB3 ASN A 1 6.181 2.585 12.743 1.00 0.00 H new ATOM 0 HD21 ASN A 1 9.194 2.811 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 1 7.464 3.022 10.020 1.00 0.00 H new ATOM 56 N THR A 2 3.856 2.910 10.541 1.00 0.00 N ATOM 57 CA THR A 2 3.168 2.126 9.564 1.00 0.00 C ATOM 58 C THR A 2 3.038 2.964 8.292 1.00 0.00 C ATOM 59 O THR A 2 2.690 4.162 8.339 1.00 0.00 O ATOM 60 CB THR A 2 1.777 1.725 10.078 1.00 0.00 C ATOM 61 OG1 THR A 2 1.911 1.077 11.358 1.00 0.00 O ATOM 62 CG2 THR A 2 1.076 0.781 9.101 1.00 0.00 C ATOM 0 H THR A 2 3.291 3.144 11.357 1.00 0.00 H new ATOM 0 HA THR A 2 3.725 1.212 9.360 1.00 0.00 H new ATOM 0 HB THR A 2 1.173 2.627 10.174 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.025 0.821 11.690 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.094 0.515 9.493 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.960 1.276 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.673 -0.122 8.976 1.00 0.00 H new ATOM 70 N ILE A 3 3.365 2.367 7.198 1.00 0.00 N ATOM 71 CA ILE A 3 3.416 3.040 5.947 1.00 0.00 C ATOM 72 C ILE A 3 2.614 2.277 4.898 1.00 0.00 C ATOM 73 O ILE A 3 3.022 1.217 4.437 1.00 0.00 O ATOM 74 CB ILE A 3 4.911 3.254 5.533 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.069 3.776 4.081 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.762 2.002 5.825 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.506 4.080 3.679 1.00 0.00 C ATOM 0 H ILE A 3 3.609 1.378 7.147 1.00 0.00 H new ATOM 0 HA ILE A 3 2.954 4.024 6.032 1.00 0.00 H new ATOM 0 HB ILE A 3 5.304 4.053 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.661 3.035 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.472 4.681 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.794 2.185 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.728 1.779 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.367 1.155 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.528 4.439 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.914 4.845 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.106 3.173 3.759 1.00 0.00 H new ATOM 89 N LEU A 4 1.431 2.790 4.594 1.00 0.00 N ATOM 90 CA LEU A 4 0.562 2.206 3.599 1.00 0.00 C ATOM 91 C LEU A 4 1.238 2.175 2.250 1.00 0.00 C ATOM 92 O LEU A 4 1.608 3.216 1.697 1.00 0.00 O ATOM 93 CB LEU A 4 -0.733 2.990 3.490 1.00 0.00 C ATOM 94 CG LEU A 4 -1.586 3.096 4.746 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.897 3.788 4.423 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.811 1.726 5.368 1.00 0.00 C ATOM 0 H LEU A 4 1.051 3.627 5.036 1.00 0.00 H new ATOM 0 HA LEU A 4 0.340 1.186 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.490 4.000 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.339 2.535 2.707 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.057 3.699 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.502 3.860 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.696 4.788 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.436 3.213 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.423 1.829 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.321 1.081 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.850 1.285 5.634 1.00 0.00 H new ATOM 108 N GLY A 5 1.416 0.997 1.741 1.00 0.00 N ATOM 109 CA GLY A 5 2.072 0.851 0.490 1.00 0.00 C ATOM 110 C GLY A 5 3.423 0.219 0.651 1.00 0.00 C ATOM 111 O GLY A 5 4.007 -0.231 -0.307 1.00 0.00 O ATOM 0 H GLY A 5 1.115 0.125 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.460 0.241 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.179 1.827 0.018 1.00 0.00 H new ATOM 115 N ASP A 6 3.926 0.195 1.860 1.00 0.00 N ATOM 116 CA ASP A 6 5.187 -0.427 2.127 1.00 0.00 C ATOM 117 C ASP A 6 4.985 -1.587 3.073 1.00 0.00 C ATOM 118 O ASP A 6 5.043 -1.471 4.291 1.00 0.00 O ATOM 119 CB ASP A 6 6.209 0.584 2.607 1.00 0.00 C ATOM 120 CG ASP A 6 7.528 -0.019 2.958 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.995 -0.908 2.235 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.154 0.424 3.906 1.00 0.00 O ATOM 0 H ASP A 6 3.473 0.604 2.677 1.00 0.00 H new ATOM 0 HA ASP A 6 5.602 -0.834 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.357 1.335 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.812 1.102 3.480 1.00 0.00 H new ATOM 127 N LEU A 7 4.674 -2.688 2.460 1.00 0.00 N ATOM 128 CA LEU A 7 4.287 -3.916 3.090 1.00 0.00 C ATOM 129 C LEU A 7 5.481 -4.672 3.621 1.00 0.00 C ATOM 130 O LEU A 7 5.405 -5.320 4.658 1.00 0.00 O ATOM 131 CB LEU A 7 3.525 -4.802 2.087 1.00 0.00 C ATOM 132 CG LEU A 7 2.100 -4.374 1.653 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.064 -3.070 0.891 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.495 -5.443 0.813 1.00 0.00 C ATOM 0 H LEU A 7 4.684 -2.758 1.442 1.00 0.00 H new ATOM 0 HA LEU A 7 3.642 -3.666 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.135 -4.883 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.454 -5.802 2.515 1.00 0.00 H new ATOM 0 HG LEU A 7 1.531 -4.221 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.035 -2.835 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.466 -2.272 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.665 -3.161 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.493 -5.142 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.111 -5.603 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.437 -6.368 1.387 1.00 0.00 H new ATOM 146 N ASN A 8 6.580 -4.611 2.898 1.00 0.00 N ATOM 147 CA ASN A 8 7.799 -5.327 3.304 1.00 0.00 C ATOM 148 C ASN A 8 8.626 -4.496 4.272 1.00 0.00 C ATOM 149 O ASN A 8 9.633 -4.974 4.809 1.00 0.00 O ATOM 150 CB ASN A 8 8.646 -5.801 2.093 1.00 0.00 C ATOM 151 CG ASN A 8 9.262 -4.689 1.275 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.753 -3.588 1.199 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.322 -4.984 0.602 1.00 0.00 N ATOM 0 H ASN A 8 6.667 -4.081 2.031 1.00 0.00 H new ATOM 0 HA ASN A 8 7.476 -6.229 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.443 -6.449 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.015 -6.406 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.749 -4.287 -0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.733 -5.914 0.680 1.00 0.00 H new ATOM 160 N ASP A 9 8.169 -3.261 4.493 1.00 0.00 N ATOM 161 CA ASP A 9 8.765 -2.312 5.439 1.00 0.00 C ATOM 162 C ASP A 9 10.224 -2.014 5.087 1.00 0.00 C ATOM 163 O ASP A 9 11.170 -2.363 5.805 1.00 0.00 O ATOM 164 CB ASP A 9 8.560 -2.774 6.915 1.00 0.00 C ATOM 165 CG ASP A 9 9.191 -1.875 7.970 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.757 -0.728 8.151 1.00 0.00 O ATOM 167 OD2 ASP A 9 10.104 -2.344 8.696 1.00 0.00 O ATOM 0 H ASP A 9 7.355 -2.883 4.008 1.00 0.00 H new ATOM 0 HA ASP A 9 8.238 -1.362 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.490 -2.843 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.969 -3.778 7.025 1.00 0.00 H new ATOM 172 N ASP A 10 10.404 -1.448 3.924 1.00 0.00 N ATOM 173 CA ASP A 10 11.727 -1.088 3.443 1.00 0.00 C ATOM 174 C ASP A 10 11.833 0.413 3.231 1.00 0.00 C ATOM 175 O ASP A 10 12.864 0.932 2.766 1.00 0.00 O ATOM 176 CB ASP A 10 12.186 -1.919 2.200 1.00 0.00 C ATOM 177 CG ASP A 10 11.355 -1.767 0.932 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.465 -0.904 0.863 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.557 -2.559 -0.019 1.00 0.00 O ATOM 0 H ASP A 10 9.647 -1.221 3.280 1.00 0.00 H new ATOM 0 HA ASP A 10 12.437 -1.359 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.215 -1.644 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.193 -2.973 2.478 1.00 0.00 H new ATOM 184 N GLY A 11 10.761 1.108 3.591 1.00 0.00 N ATOM 185 CA GLY A 11 10.740 2.546 3.594 1.00 0.00 C ATOM 186 C GLY A 11 10.360 3.158 2.275 1.00 0.00 C ATOM 187 O GLY A 11 10.456 4.385 2.109 1.00 0.00 O ATOM 0 H GLY A 11 9.885 0.679 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.039 2.887 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.726 2.912 3.882 1.00 0.00 H new ATOM 191 N VAL A 12 9.924 2.350 1.347 1.00 0.00 N ATOM 192 CA VAL A 12 9.605 2.832 0.023 1.00 0.00 C ATOM 193 C VAL A 12 8.554 1.944 -0.654 1.00 0.00 C ATOM 194 O VAL A 12 8.547 0.731 -0.470 1.00 0.00 O ATOM 195 CB VAL A 12 10.923 2.943 -0.845 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.707 1.639 -0.849 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.646 3.402 -2.270 1.00 0.00 C ATOM 0 H VAL A 12 9.780 1.349 1.481 1.00 0.00 H new ATOM 0 HA VAL A 12 9.170 3.827 0.110 1.00 0.00 H new ATOM 0 HB VAL A 12 11.535 3.709 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.605 1.756 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.990 1.381 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.089 0.844 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.584 3.461 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.982 2.690 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.174 4.384 -2.251 1.00 0.00 H new ATOM 207 N VAL A 13 7.624 2.568 -1.352 1.00 0.00 N ATOM 208 CA VAL A 13 6.660 1.861 -2.160 1.00 0.00 C ATOM 209 C VAL A 13 7.344 1.358 -3.455 1.00 0.00 C ATOM 210 O VAL A 13 7.598 2.125 -4.390 1.00 0.00 O ATOM 211 CB VAL A 13 5.406 2.750 -2.461 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.598 2.956 -1.187 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.799 4.124 -3.017 1.00 0.00 C ATOM 0 H VAL A 13 7.519 3.582 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 13 6.295 0.996 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 13 4.813 2.227 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.728 3.575 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.270 1.990 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.218 3.451 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.900 4.708 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.421 4.646 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.356 3.995 -3.945 1.00 0.00 H new ATOM 223 N ASN A 14 7.740 0.106 -3.425 1.00 0.00 N ATOM 224 CA ASN A 14 8.474 -0.529 -4.508 1.00 0.00 C ATOM 225 C ASN A 14 7.799 -1.809 -4.972 1.00 0.00 C ATOM 226 O ASN A 14 6.807 -2.245 -4.381 1.00 0.00 O ATOM 227 CB ASN A 14 9.964 -0.761 -4.141 1.00 0.00 C ATOM 228 CG ASN A 14 10.221 -1.651 -2.939 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.395 -1.803 -2.030 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.372 -2.209 -2.890 1.00 0.00 N ATOM 0 H ASN A 14 7.560 -0.515 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 14 8.460 0.163 -5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.467 -1.196 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.428 0.208 -3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.623 -2.792 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.038 -2.071 -3.650 1.00 0.00 H new ATOM 237 N GLY A 15 8.369 -2.432 -5.999 1.00 0.00 N ATOM 238 CA GLY A 15 7.827 -3.663 -6.589 1.00 0.00 C ATOM 239 C GLY A 15 7.741 -4.833 -5.619 1.00 0.00 C ATOM 240 O GLY A 15 6.909 -5.724 -5.785 1.00 0.00 O ATOM 0 H GLY A 15 9.222 -2.101 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.831 -3.457 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.450 -3.952 -7.435 1.00 0.00 H new ATOM 244 N ARG A 16 8.585 -4.825 -4.594 1.00 0.00 N ATOM 245 CA ARG A 16 8.586 -5.882 -3.576 1.00 0.00 C ATOM 246 C ARG A 16 7.268 -5.906 -2.823 1.00 0.00 C ATOM 247 O ARG A 16 6.811 -6.957 -2.390 1.00 0.00 O ATOM 248 CB ARG A 16 9.686 -5.670 -2.560 1.00 0.00 C ATOM 249 CG ARG A 16 11.076 -5.538 -3.122 1.00 0.00 C ATOM 250 CD ARG A 16 11.515 -6.764 -3.881 1.00 0.00 C ATOM 251 NE ARG A 16 12.897 -6.624 -4.310 1.00 0.00 N ATOM 252 CZ ARG A 16 13.431 -7.128 -5.416 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.677 -7.769 -6.300 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.721 -6.939 -5.654 1.00 0.00 N ATOM 0 H ARG A 16 9.283 -4.097 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 16 8.744 -6.823 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.458 -4.771 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.675 -6.505 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.115 -4.673 -3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.776 -5.349 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.410 -7.647 -3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.871 -6.913 -4.748 1.00 0.00 H new ATOM 0 HE ARG A 16 13.516 -6.087 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.677 -7.878 -6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.098 -8.152 -7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.290 -6.412 -4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.145 -7.320 -6.500 1.00 0.00 H new ATOM 268 N ASP A 17 6.659 -4.740 -2.682 1.00 0.00 N ATOM 269 CA ASP A 17 5.397 -4.601 -1.980 1.00 0.00 C ATOM 270 C ASP A 17 4.311 -5.309 -2.721 1.00 0.00 C ATOM 271 O ASP A 17 3.468 -5.953 -2.116 1.00 0.00 O ATOM 272 CB ASP A 17 5.036 -3.147 -1.797 1.00 0.00 C ATOM 273 CG ASP A 17 6.047 -2.424 -0.968 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.709 -1.510 -1.447 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.296 -2.803 0.180 1.00 0.00 O ATOM 0 H ASP A 17 7.027 -3.864 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 17 5.508 -5.053 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.955 -2.667 -2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.057 -3.072 -1.323 1.00 0.00 H new ATOM 280 N ILE A 18 4.361 -5.196 -4.047 1.00 0.00 N ATOM 281 CA ILE A 18 3.458 -5.894 -4.975 1.00 0.00 C ATOM 282 C ILE A 18 3.450 -7.390 -4.678 1.00 0.00 C ATOM 283 O ILE A 18 2.392 -8.012 -4.601 1.00 0.00 O ATOM 284 CB ILE A 18 3.896 -5.656 -6.478 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.532 -4.256 -6.984 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.316 -6.699 -7.429 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.086 -3.109 -6.223 1.00 0.00 C ATOM 0 H ILE A 18 5.044 -4.605 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 18 2.455 -5.491 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 18 4.982 -5.753 -6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.864 -4.171 -8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.446 -4.168 -6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.648 -6.489 -8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.658 -7.691 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.227 -6.663 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.757 -2.176 -6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.734 -3.152 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.175 -3.155 -6.237 1.00 0.00 H new ATOM 299 N VAL A 19 4.636 -7.928 -4.485 1.00 0.00 N ATOM 300 CA VAL A 19 4.840 -9.339 -4.179 1.00 0.00 C ATOM 301 C VAL A 19 4.108 -9.706 -2.893 1.00 0.00 C ATOM 302 O VAL A 19 3.296 -10.615 -2.880 1.00 0.00 O ATOM 303 CB VAL A 19 6.352 -9.657 -4.009 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.606 -11.149 -3.816 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.144 -9.113 -5.181 1.00 0.00 C ATOM 0 H VAL A 19 5.503 -7.393 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 19 4.445 -9.923 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 19 6.693 -9.159 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.676 -11.324 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.084 -11.494 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.240 -11.696 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.200 -9.345 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.788 -9.570 -6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.014 -8.032 -5.238 1.00 0.00 H new ATOM 315 N MET A 20 4.349 -8.916 -1.856 1.00 0.00 N ATOM 316 CA MET A 20 3.805 -9.138 -0.507 1.00 0.00 C ATOM 317 C MET A 20 2.276 -9.010 -0.517 1.00 0.00 C ATOM 318 O MET A 20 1.563 -9.769 0.153 1.00 0.00 O ATOM 319 CB MET A 20 4.394 -8.102 0.448 1.00 0.00 C ATOM 320 CG MET A 20 5.915 -8.007 0.420 1.00 0.00 C ATOM 321 SD MET A 20 6.771 -9.408 1.172 1.00 0.00 S ATOM 322 CE MET A 20 6.484 -9.076 2.913 1.00 0.00 C ATOM 0 H MET A 20 4.938 -8.086 -1.921 1.00 0.00 H new ATOM 0 HA MET A 20 4.070 -10.143 -0.179 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.977 -7.125 0.205 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.076 -8.341 1.463 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.241 -7.913 -0.616 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.218 -7.095 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.289 -9.513 3.504 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.456 -7.999 3.078 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.533 -9.514 3.215 1.00 0.00 H new ATOM 332 N MET A 21 1.804 -8.035 -1.291 1.00 0.00 N ATOM 333 CA MET A 21 0.379 -7.753 -1.517 1.00 0.00 C ATOM 334 C MET A 21 -0.277 -8.998 -2.054 1.00 0.00 C ATOM 335 O MET A 21 -1.205 -9.532 -1.460 1.00 0.00 O ATOM 336 CB MET A 21 0.279 -6.651 -2.581 1.00 0.00 C ATOM 337 CG MET A 21 -1.111 -6.077 -2.928 1.00 0.00 C ATOM 338 SD MET A 21 -1.702 -4.725 -1.867 1.00 0.00 S ATOM 339 CE MET A 21 -2.096 -5.514 -0.324 1.00 0.00 C ATOM 0 H MET A 21 2.418 -7.397 -1.796 1.00 0.00 H new ATOM 0 HA MET A 21 -0.105 -7.442 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.907 -5.821 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.715 -7.040 -3.501 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.088 -5.721 -3.958 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.838 -6.888 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.162 -5.409 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.840 -6.572 -0.381 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.528 -5.046 0.480 1.00 0.00 H new ATOM 349 N ARG A 22 0.291 -9.485 -3.145 1.00 0.00 N ATOM 350 CA ARG A 22 -0.194 -10.638 -3.867 1.00 0.00 C ATOM 351 C ARG A 22 -0.138 -11.908 -3.031 1.00 0.00 C ATOM 352 O ARG A 22 -0.991 -12.767 -3.186 1.00 0.00 O ATOM 353 CB ARG A 22 0.576 -10.795 -5.175 1.00 0.00 C ATOM 354 CG ARG A 22 0.272 -9.718 -6.198 1.00 0.00 C ATOM 355 CD ARG A 22 1.172 -9.840 -7.417 1.00 0.00 C ATOM 356 NE ARG A 22 0.858 -8.826 -8.441 1.00 0.00 N ATOM 357 CZ ARG A 22 0.855 -9.027 -9.773 1.00 0.00 C ATOM 358 NH1 ARG A 22 1.055 -10.239 -10.277 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.646 -8.005 -10.590 1.00 0.00 N ATOM 0 H ARG A 22 1.126 -9.073 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.246 -10.471 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.645 -10.787 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.345 -11.769 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.771 -9.790 -6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.403 -8.736 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.213 -9.735 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.065 -10.835 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 22 0.622 -7.890 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.213 -11.031 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.050 -10.378 -11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.488 -7.072 -10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.643 -8.151 -11.599 1.00 0.00 H new ATOM 373 N GLN A 23 0.857 -12.012 -2.135 1.00 0.00 N ATOM 374 CA GLN A 23 0.961 -13.148 -1.224 1.00 0.00 C ATOM 375 C GLN A 23 -0.262 -13.208 -0.348 1.00 0.00 C ATOM 376 O GLN A 23 -0.996 -14.197 -0.346 1.00 0.00 O ATOM 377 CB GLN A 23 2.147 -13.010 -0.283 1.00 0.00 C ATOM 378 CG GLN A 23 3.512 -12.883 -0.901 1.00 0.00 C ATOM 379 CD GLN A 23 3.988 -14.133 -1.604 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.218 -14.903 -2.163 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.250 -14.357 -1.556 1.00 0.00 N ATOM 0 H GLN A 23 1.598 -11.319 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 23 1.072 -14.038 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.979 -12.134 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.156 -13.878 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.501 -12.059 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.229 -12.621 -0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.867 -13.697 -1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.636 -15.195 -1.991 1.00 0.00 H new ATOM 390 N TYR A 24 -0.497 -12.124 0.384 1.00 0.00 N ATOM 391 CA TYR A 24 -1.580 -12.071 1.324 1.00 0.00 C ATOM 392 C TYR A 24 -2.921 -12.183 0.617 1.00 0.00 C ATOM 393 O TYR A 24 -3.806 -12.891 1.077 1.00 0.00 O ATOM 394 CB TYR A 24 -1.491 -10.803 2.144 1.00 0.00 C ATOM 395 CG TYR A 24 -2.474 -10.758 3.297 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.771 -10.331 3.097 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.101 -11.140 4.580 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.670 -10.285 4.114 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.007 -11.096 5.620 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.296 -10.665 5.378 1.00 0.00 C ATOM 401 OH TYR A 24 -5.217 -10.619 6.403 1.00 0.00 O ATOM 0 H TYR A 24 0.060 -11.271 0.334 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.500 -12.922 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.479 -10.704 2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.667 -9.946 1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.079 -10.026 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.091 -11.475 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.679 -9.949 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.710 -11.396 6.614 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.796 -10.921 7.235 1.00 0.00 H new ATOM 411 N LEU A 25 -3.041 -11.491 -0.492 1.00 0.00 N ATOM 412 CA LEU A 25 -4.252 -11.545 -1.357 1.00 0.00 C ATOM 413 C LEU A 25 -4.562 -12.966 -1.831 1.00 0.00 C ATOM 414 O LEU A 25 -5.724 -13.337 -1.984 1.00 0.00 O ATOM 415 CB LEU A 25 -4.129 -10.632 -2.580 1.00 0.00 C ATOM 416 CG LEU A 25 -4.160 -9.124 -2.331 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.938 -8.385 -3.631 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.483 -8.683 -1.709 1.00 0.00 C ATOM 0 H LEU A 25 -2.314 -10.866 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.072 -11.193 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.195 -10.872 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.938 -10.878 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.362 -8.886 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.961 -7.311 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.969 -8.661 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.724 -8.649 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.467 -7.605 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.303 -8.937 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.624 -9.191 -0.755 1.00 0.00 H new ATOM 430 N ALA A 26 -3.526 -13.755 -2.051 1.00 0.00 N ATOM 431 CA ALA A 26 -3.682 -15.153 -2.464 1.00 0.00 C ATOM 432 C ALA A 26 -4.044 -16.039 -1.269 1.00 0.00 C ATOM 433 O ALA A 26 -4.359 -17.218 -1.420 1.00 0.00 O ATOM 434 CB ALA A 26 -2.413 -15.663 -3.125 1.00 0.00 C ATOM 0 H ALA A 26 -2.556 -13.455 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.496 -15.198 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.551 -16.702 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.193 -15.059 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.583 -15.595 -2.421 1.00 0.00 H new ATOM 440 N GLY A 27 -4.007 -15.465 -0.095 1.00 0.00 N ATOM 441 CA GLY A 27 -4.323 -16.173 1.096 1.00 0.00 C ATOM 442 C GLY A 27 -3.114 -16.824 1.704 1.00 0.00 C ATOM 443 O GLY A 27 -3.231 -17.829 2.401 1.00 0.00 O ATOM 0 H GLY A 27 -3.754 -14.488 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.767 -15.487 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.072 -16.934 0.877 1.00 0.00 H new ATOM 447 N LYS A 28 -1.944 -16.292 1.405 1.00 0.00 N ATOM 448 CA LYS A 28 -0.729 -16.813 1.980 1.00 0.00 C ATOM 449 C LYS A 28 -0.365 -15.989 3.190 1.00 0.00 C ATOM 450 O LYS A 28 -0.723 -14.797 3.281 1.00 0.00 O ATOM 451 CB LYS A 28 0.438 -16.771 0.981 1.00 0.00 C ATOM 452 CG LYS A 28 0.098 -17.311 -0.395 1.00 0.00 C ATOM 453 CD LYS A 28 1.304 -17.321 -1.311 1.00 0.00 C ATOM 454 CE LYS A 28 2.303 -18.390 -0.897 1.00 0.00 C ATOM 455 NZ LYS A 28 3.448 -18.468 -1.816 1.00 0.00 N ATOM 0 H LYS A 28 -1.814 -15.504 0.770 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.905 -17.853 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.779 -15.741 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.271 -17.344 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.295 -18.323 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.690 -16.703 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.982 -17.499 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.786 -16.343 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.662 -18.178 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.802 -19.358 -0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.102 -19.210 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.110 -18.696 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.943 -17.553 -1.832 1.00 0.00 H new ATOM 469 N THR A 29 0.305 -16.605 4.095 1.00 0.00 N ATOM 470 CA THR A 29 0.803 -15.961 5.259 1.00 0.00 C ATOM 471 C THR A 29 2.197 -15.475 4.926 1.00 0.00 C ATOM 472 O THR A 29 3.054 -16.258 4.488 1.00 0.00 O ATOM 473 CB THR A 29 0.840 -16.952 6.424 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.460 -17.556 6.542 1.00 0.00 O ATOM 475 CG2 THR A 29 1.178 -16.248 7.729 1.00 0.00 C ATOM 0 H THR A 29 0.529 -17.599 4.047 1.00 0.00 H new ATOM 0 HA THR A 29 0.167 -15.127 5.556 1.00 0.00 H new ATOM 0 HB THR A 29 1.607 -17.702 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.457 -18.197 7.283 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.198 -16.976 8.540 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.155 -15.773 7.644 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.424 -15.490 7.940 1.00 0.00 H new ATOM 483 N VAL A 30 2.413 -14.201 5.061 1.00 0.00 N ATOM 484 CA VAL A 30 3.644 -13.624 4.646 1.00 0.00 C ATOM 485 C VAL A 30 4.463 -13.313 5.883 1.00 0.00 C ATOM 486 O VAL A 30 4.046 -12.523 6.717 1.00 0.00 O ATOM 487 CB VAL A 30 3.398 -12.325 3.842 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.524 -12.082 2.864 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.046 -12.333 3.132 1.00 0.00 C ATOM 0 H VAL A 30 1.744 -13.542 5.459 1.00 0.00 H new ATOM 0 HA VAL A 30 4.175 -14.324 4.001 1.00 0.00 H new ATOM 0 HB VAL A 30 3.375 -11.501 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.332 -11.164 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.464 -11.987 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.590 -12.919 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.919 -11.401 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.004 -13.173 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.249 -12.431 3.869 1.00 0.00 H new ATOM 499 N SER A 31 5.581 -13.966 6.022 1.00 0.00 N ATOM 500 CA SER A 31 6.439 -13.779 7.159 1.00 0.00 C ATOM 501 C SER A 31 7.205 -12.447 7.029 1.00 0.00 C ATOM 502 O SER A 31 7.917 -12.223 6.038 1.00 0.00 O ATOM 503 CB SER A 31 7.412 -14.978 7.263 1.00 0.00 C ATOM 504 OG SER A 31 8.199 -14.942 8.453 1.00 0.00 O ATOM 0 H SER A 31 5.926 -14.648 5.346 1.00 0.00 H new ATOM 0 HA SER A 31 5.843 -13.733 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.843 -15.907 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.072 -14.983 6.395 1.00 0.00 H new ATOM 0 HG SER A 31 8.796 -15.719 8.474 1.00 0.00 H new ATOM 510 N GLY A 32 7.007 -11.558 7.986 1.00 0.00 N ATOM 511 CA GLY A 32 7.736 -10.306 8.010 1.00 0.00 C ATOM 512 C GLY A 32 7.069 -9.218 7.198 1.00 0.00 C ATOM 513 O GLY A 32 7.742 -8.347 6.645 1.00 0.00 O ATOM 0 H GLY A 32 6.348 -11.681 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.838 -9.971 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.743 -10.471 7.628 1.00 0.00 H new ATOM 517 N ILE A 33 5.764 -9.279 7.098 1.00 0.00 N ATOM 518 CA ILE A 33 5.011 -8.279 6.394 1.00 0.00 C ATOM 519 C ILE A 33 4.372 -7.365 7.432 1.00 0.00 C ATOM 520 O ILE A 33 4.099 -7.807 8.575 1.00 0.00 O ATOM 521 CB ILE A 33 3.894 -8.947 5.487 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.279 -7.938 4.502 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.784 -9.597 6.331 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.324 -8.578 3.488 1.00 0.00 C ATOM 0 H ILE A 33 5.197 -10.024 7.503 1.00 0.00 H new ATOM 0 HA ILE A 33 5.669 -7.711 5.736 1.00 0.00 H new ATOM 0 HB ILE A 33 4.392 -9.729 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.741 -7.175 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.081 -7.432 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.039 -10.043 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.216 -10.370 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.310 -8.839 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.928 -7.808 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.862 -9.321 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.502 -9.060 4.017 1.00 0.00 H new ATOM 536 N ASP A 34 4.187 -6.112 7.107 1.00 0.00 N ATOM 537 CA ASP A 34 3.425 -5.268 7.999 1.00 0.00 C ATOM 538 C ASP A 34 2.019 -5.396 7.545 1.00 0.00 C ATOM 539 O ASP A 34 1.638 -4.800 6.553 1.00 0.00 O ATOM 540 CB ASP A 34 3.819 -3.790 7.986 1.00 0.00 C ATOM 541 CG ASP A 34 3.210 -3.068 9.194 1.00 0.00 C ATOM 542 OD1 ASP A 34 1.970 -2.898 9.253 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.970 -2.704 10.128 1.00 0.00 O ATOM 0 H ASP A 34 4.538 -5.662 6.262 1.00 0.00 H new ATOM 0 HA ASP A 34 3.605 -5.593 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.905 -3.696 8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.476 -3.323 7.063 1.00 0.00 H new ATOM 548 N LYS A 35 1.259 -6.192 8.260 1.00 0.00 N ATOM 549 CA LYS A 35 -0.088 -6.591 7.871 1.00 0.00 C ATOM 550 C LYS A 35 -1.049 -5.384 7.738 1.00 0.00 C ATOM 551 O LYS A 35 -2.026 -5.407 6.978 1.00 0.00 O ATOM 552 CB LYS A 35 -0.582 -7.638 8.893 1.00 0.00 C ATOM 553 CG LYS A 35 -1.857 -8.379 8.516 1.00 0.00 C ATOM 554 CD LYS A 35 -3.157 -7.657 8.873 1.00 0.00 C ATOM 555 CE LYS A 35 -3.283 -7.364 10.364 1.00 0.00 C ATOM 556 NZ LYS A 35 -4.590 -6.769 10.685 1.00 0.00 N ATOM 0 H LYS A 35 1.559 -6.593 9.149 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.069 -7.034 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.210 -8.371 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.743 -7.138 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.846 -8.565 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.853 -9.351 9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.211 -6.720 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.004 -8.265 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.152 -8.286 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.487 -6.686 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.645 -6.581 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.703 -5.877 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.347 -7.428 10.413 1.00 0.00 H new ATOM 570 N ASN A 36 -0.727 -4.350 8.427 1.00 0.00 N ATOM 571 CA ASN A 36 -1.522 -3.149 8.482 1.00 0.00 C ATOM 572 C ASN A 36 -1.243 -2.266 7.274 1.00 0.00 C ATOM 573 O ASN A 36 -2.105 -1.490 6.856 1.00 0.00 O ATOM 574 CB ASN A 36 -1.188 -2.358 9.742 1.00 0.00 C ATOM 575 CG ASN A 36 -1.101 -3.212 10.981 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.097 -3.484 11.652 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.094 -3.607 11.314 1.00 0.00 N ATOM 0 H ASN A 36 0.122 -4.302 8.991 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.572 -3.441 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.238 -1.843 9.597 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.947 -1.590 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.231 -4.163 12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.894 -3.360 10.731 1.00 0.00 H new ATOM 584 N ALA A 37 -0.071 -2.440 6.659 1.00 0.00 N ATOM 585 CA ALA A 37 0.370 -1.578 5.564 1.00 0.00 C ATOM 586 C ALA A 37 -0.252 -1.992 4.244 1.00 0.00 C ATOM 587 O ALA A 37 -0.039 -1.347 3.212 1.00 0.00 O ATOM 588 CB ALA A 37 1.880 -1.593 5.466 1.00 0.00 C ATOM 0 H ALA A 37 0.592 -3.175 6.904 1.00 0.00 H new ATOM 0 HA ALA A 37 0.037 -0.563 5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.198 -0.948 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.309 -1.231 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.222 -2.611 5.280 1.00 0.00 H new ATOM 594 N LEU A 38 -1.024 -3.060 4.300 1.00 0.00 N ATOM 595 CA LEU A 38 -1.705 -3.616 3.152 1.00 0.00 C ATOM 596 C LEU A 38 -2.944 -2.849 2.825 1.00 0.00 C ATOM 597 O LEU A 38 -3.335 -2.796 1.688 1.00 0.00 O ATOM 598 CB LEU A 38 -2.099 -5.078 3.373 1.00 0.00 C ATOM 599 CG LEU A 38 -1.014 -6.147 3.267 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.057 -5.974 4.268 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.615 -7.491 3.421 1.00 0.00 C ATOM 0 H LEU A 38 -1.197 -3.574 5.164 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.997 -3.550 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.545 -5.155 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.879 -5.324 2.652 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.561 -6.042 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.800 -6.762 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.532 -5.003 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.369 -6.030 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.836 -8.249 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.098 -7.564 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.355 -7.651 2.637 1.00 0.00 H new ATOM 613 N ASP A 39 -3.573 -2.257 3.824 1.00 0.00 N ATOM 614 CA ASP A 39 -4.811 -1.540 3.592 1.00 0.00 C ATOM 615 C ASP A 39 -4.517 -0.104 3.215 1.00 0.00 C ATOM 616 O ASP A 39 -4.605 0.828 4.020 1.00 0.00 O ATOM 617 CB ASP A 39 -5.757 -1.662 4.771 1.00 0.00 C ATOM 618 CG ASP A 39 -7.058 -0.925 4.553 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.699 -1.091 3.502 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.473 -0.189 5.435 1.00 0.00 O ATOM 0 H ASP A 39 -3.251 -2.258 4.792 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.330 -1.997 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.967 -2.715 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.269 -1.273 5.665 1.00 0.00 H new ATOM 625 N ILE A 40 -4.110 0.025 1.989 1.00 0.00 N ATOM 626 CA ILE A 40 -3.606 1.235 1.410 1.00 0.00 C ATOM 627 C ILE A 40 -4.711 2.253 1.120 1.00 0.00 C ATOM 628 O ILE A 40 -4.495 3.466 1.229 1.00 0.00 O ATOM 629 CB ILE A 40 -2.774 0.905 0.146 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.743 -0.158 0.515 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.063 2.156 -0.350 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.087 -0.835 -0.652 1.00 0.00 C ATOM 0 H ILE A 40 -4.121 -0.753 1.329 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.953 1.712 2.141 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.428 0.539 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.970 0.304 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.228 -0.916 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.480 1.915 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.800 2.920 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.399 2.530 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.371 -1.573 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.845 -1.332 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.567 -0.093 -1.258 1.00 0.00 H new ATOM 644 N ASN A 41 -5.896 1.789 0.772 1.00 0.00 N ATOM 645 CA ASN A 41 -6.987 2.723 0.527 1.00 0.00 C ATOM 646 C ASN A 41 -7.658 3.112 1.844 1.00 0.00 C ATOM 647 O ASN A 41 -8.417 4.079 1.902 1.00 0.00 O ATOM 648 CB ASN A 41 -8.037 2.181 -0.466 1.00 0.00 C ATOM 649 CG ASN A 41 -8.922 1.080 0.090 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.519 0.268 0.906 1.00 0.00 O ATOM 651 ND2 ASN A 41 -10.137 1.068 -0.319 1.00 0.00 N ATOM 0 H ASN A 41 -6.128 0.803 0.654 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.544 3.605 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.669 3.007 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.522 1.804 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.789 0.370 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.452 1.757 -1.002 1.00 0.00 H new ATOM 658 N GLY A 42 -7.329 2.382 2.902 1.00 0.00 N ATOM 659 CA GLY A 42 -7.880 2.663 4.215 1.00 0.00 C ATOM 660 C GLY A 42 -9.360 2.309 4.361 1.00 0.00 C ATOM 661 O GLY A 42 -10.180 3.176 4.677 1.00 0.00 O ATOM 0 H GLY A 42 -6.684 1.592 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.310 2.110 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.748 3.723 4.433 1.00 0.00 H new ATOM 665 N ASP A 43 -9.701 1.058 4.135 1.00 0.00 N ATOM 666 CA ASP A 43 -11.086 0.608 4.290 1.00 0.00 C ATOM 667 C ASP A 43 -11.226 -0.395 5.424 1.00 0.00 C ATOM 668 O ASP A 43 -12.333 -0.677 5.869 1.00 0.00 O ATOM 669 CB ASP A 43 -11.729 0.056 2.978 1.00 0.00 C ATOM 670 CG ASP A 43 -11.016 -1.132 2.354 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.933 -1.227 1.126 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.440 -1.950 3.030 1.00 0.00 O ATOM 0 H ASP A 43 -9.048 0.330 3.844 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.648 1.506 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.759 -0.230 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.767 0.862 2.245 1.00 0.00 H new ATOM 677 N GLY A 44 -10.111 -0.936 5.883 1.00 0.00 N ATOM 678 CA GLY A 44 -10.129 -1.888 6.969 1.00 0.00 C ATOM 679 C GLY A 44 -9.965 -3.331 6.515 1.00 0.00 C ATOM 680 O GLY A 44 -9.793 -4.232 7.343 1.00 0.00 O ATOM 0 H GLY A 44 -9.182 -0.729 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.331 -1.643 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.070 -1.791 7.511 1.00 0.00 H new ATOM 684 N ALA A 45 -10.002 -3.557 5.221 1.00 0.00 N ATOM 685 CA ALA A 45 -9.872 -4.892 4.663 1.00 0.00 C ATOM 686 C ALA A 45 -8.775 -4.915 3.619 1.00 0.00 C ATOM 687 O ALA A 45 -8.453 -3.889 3.028 1.00 0.00 O ATOM 688 CB ALA A 45 -11.182 -5.329 4.033 1.00 0.00 C ATOM 0 H ALA A 45 -10.123 -2.823 4.523 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.617 -5.581 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.070 -6.331 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.966 -5.335 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.452 -4.635 3.237 1.00 0.00 H new ATOM 694 N VAL A 46 -8.215 -6.056 3.372 1.00 0.00 N ATOM 695 CA VAL A 46 -7.195 -6.181 2.404 1.00 0.00 C ATOM 696 C VAL A 46 -7.822 -6.703 1.124 1.00 0.00 C ATOM 697 O VAL A 46 -8.232 -7.864 1.038 1.00 0.00 O ATOM 698 CB VAL A 46 -6.087 -7.120 2.878 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.006 -7.152 1.856 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.531 -6.675 4.229 1.00 0.00 C ATOM 0 H VAL A 46 -8.460 -6.927 3.843 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.736 -5.207 2.233 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.500 -8.121 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.211 -7.820 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.411 -7.511 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.603 -6.148 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.744 -7.361 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.121 -5.669 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.330 -6.677 4.970 1.00 0.00 H new ATOM 710 N ASN A 47 -7.939 -5.840 0.174 1.00 0.00 N ATOM 711 CA ASN A 47 -8.623 -6.122 -1.060 1.00 0.00 C ATOM 712 C ASN A 47 -7.857 -5.616 -2.271 1.00 0.00 C ATOM 713 O ASN A 47 -6.789 -5.009 -2.135 1.00 0.00 O ATOM 714 CB ASN A 47 -10.085 -5.603 -1.002 1.00 0.00 C ATOM 715 CG ASN A 47 -10.252 -4.221 -0.347 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.406 -3.322 -0.448 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.319 -4.058 0.370 1.00 0.00 N ATOM 0 H ASN A 47 -7.557 -4.896 0.226 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.670 -7.204 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.481 -5.559 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.691 -6.325 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.473 -3.178 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.005 -4.809 0.442 1.00 0.00 H new ATOM 724 N GLY A 48 -8.417 -5.849 -3.457 1.00 0.00 N ATOM 725 CA GLY A 48 -7.781 -5.467 -4.707 1.00 0.00 C ATOM 726 C GLY A 48 -7.688 -3.973 -4.862 1.00 0.00 C ATOM 727 O GLY A 48 -6.870 -3.484 -5.618 1.00 0.00 O ATOM 0 H GLY A 48 -9.321 -6.306 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.781 -5.898 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.345 -5.883 -5.542 1.00 0.00 H new ATOM 731 N ARG A 49 -8.540 -3.257 -4.136 1.00 0.00 N ATOM 732 CA ARG A 49 -8.497 -1.800 -4.057 1.00 0.00 C ATOM 733 C ARG A 49 -7.123 -1.355 -3.624 1.00 0.00 C ATOM 734 O ARG A 49 -6.545 -0.462 -4.215 1.00 0.00 O ATOM 735 CB ARG A 49 -9.478 -1.299 -3.013 1.00 0.00 C ATOM 736 CG ARG A 49 -10.936 -1.494 -3.331 1.00 0.00 C ATOM 737 CD ARG A 49 -11.398 -0.592 -4.476 1.00 0.00 C ATOM 738 NE ARG A 49 -11.033 0.829 -4.266 1.00 0.00 N ATOM 739 CZ ARG A 49 -11.844 1.794 -3.789 1.00 0.00 C ATOM 740 NH1 ARG A 49 -13.090 1.516 -3.430 1.00 0.00 N ATOM 741 NH2 ARG A 49 -11.402 3.039 -3.688 1.00 0.00 N ATOM 0 H ARG A 49 -9.287 -3.675 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.748 -1.402 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.262 -1.801 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.300 -0.235 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.113 -2.536 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.532 -1.286 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.958 -0.942 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.480 -0.673 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.080 1.102 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.444 0.563 -3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.694 2.255 -3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.449 3.266 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.015 3.770 -3.327 1.00 0.00 H new ATOM 755 N ASP A 50 -6.607 -2.028 -2.606 1.00 0.00 N ATOM 756 CA ASP A 50 -5.314 -1.727 -2.020 1.00 0.00 C ATOM 757 C ASP A 50 -4.225 -2.043 -2.996 1.00 0.00 C ATOM 758 O ASP A 50 -3.263 -1.318 -3.103 1.00 0.00 O ATOM 759 CB ASP A 50 -5.085 -2.532 -0.761 1.00 0.00 C ATOM 760 CG ASP A 50 -6.159 -2.368 0.257 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.888 -3.315 0.561 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.370 -1.275 0.758 1.00 0.00 O ATOM 0 H ASP A 50 -7.084 -2.811 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.301 -0.666 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.004 -3.587 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.132 -2.239 -0.321 1.00 0.00 H new ATOM 767 N LEU A 51 -4.417 -3.121 -3.735 1.00 0.00 N ATOM 768 CA LEU A 51 -3.488 -3.534 -4.782 1.00 0.00 C ATOM 769 C LEU A 51 -3.409 -2.453 -5.853 1.00 0.00 C ATOM 770 O LEU A 51 -2.336 -2.074 -6.273 1.00 0.00 O ATOM 771 CB LEU A 51 -3.935 -4.875 -5.396 1.00 0.00 C ATOM 772 CG LEU A 51 -3.178 -5.388 -6.648 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.678 -5.535 -6.403 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.749 -6.720 -7.068 1.00 0.00 C ATOM 0 H LEU A 51 -5.222 -3.739 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.498 -3.672 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.858 -5.639 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.990 -4.789 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.310 -4.647 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.195 -5.897 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.257 -4.567 -6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.509 -6.246 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.218 -7.082 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.635 -7.437 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.807 -6.604 -7.305 1.00 0.00 H new ATOM 786 N MET A 52 -4.562 -1.938 -6.241 1.00 0.00 N ATOM 787 CA MET A 52 -4.662 -0.865 -7.242 1.00 0.00 C ATOM 788 C MET A 52 -4.035 0.424 -6.722 1.00 0.00 C ATOM 789 O MET A 52 -3.453 1.207 -7.490 1.00 0.00 O ATOM 790 CB MET A 52 -6.121 -0.629 -7.636 1.00 0.00 C ATOM 791 CG MET A 52 -6.763 -1.822 -8.313 1.00 0.00 C ATOM 792 SD MET A 52 -8.504 -1.574 -8.688 1.00 0.00 S ATOM 793 CE MET A 52 -8.892 -3.170 -9.402 1.00 0.00 C ATOM 0 H MET A 52 -5.463 -2.246 -5.876 1.00 0.00 H new ATOM 0 HA MET A 52 -4.111 -1.179 -8.129 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.694 -0.375 -6.744 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.174 0.231 -8.304 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.227 -2.039 -9.237 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.658 -2.696 -7.670 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.942 -3.192 -9.694 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.268 -3.337 -10.280 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.703 -3.953 -8.668 1.00 0.00 H new ATOM 803 N GLU A 53 -4.143 0.634 -5.415 1.00 0.00 N ATOM 804 CA GLU A 53 -3.508 1.760 -4.755 1.00 0.00 C ATOM 805 C GLU A 53 -2.012 1.583 -4.783 1.00 0.00 C ATOM 806 O GLU A 53 -1.286 2.514 -5.052 1.00 0.00 O ATOM 807 CB GLU A 53 -3.941 1.883 -3.300 1.00 0.00 C ATOM 808 CG GLU A 53 -5.393 2.210 -3.072 1.00 0.00 C ATOM 809 CD GLU A 53 -5.776 3.535 -3.650 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.388 3.573 -4.719 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.463 4.581 -3.043 1.00 0.00 O ATOM 0 H GLU A 53 -4.672 0.028 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.809 2.661 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.716 0.944 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.336 2.655 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.012 1.430 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.599 2.210 -2.002 1.00 0.00 H new ATOM 818 N LEU A 54 -1.575 0.370 -4.494 1.00 0.00 N ATOM 819 CA LEU A 54 -0.176 0.006 -4.475 1.00 0.00 C ATOM 820 C LEU A 54 0.449 0.205 -5.832 1.00 0.00 C ATOM 821 O LEU A 54 1.505 0.803 -5.937 1.00 0.00 O ATOM 822 CB LEU A 54 -0.017 -1.436 -4.038 1.00 0.00 C ATOM 823 CG LEU A 54 1.405 -1.920 -3.814 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.111 -1.056 -2.793 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.382 -3.347 -3.351 1.00 0.00 C ATOM 0 H LEU A 54 -2.199 -0.403 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 54 0.335 0.654 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.576 -1.576 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.481 -2.074 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 54 1.951 -1.851 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.128 -1.421 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.142 -0.026 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.572 -1.098 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.403 -3.694 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.824 -3.418 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.903 -3.968 -4.108 1.00 0.00 H new ATOM 837 N ILE A 55 -0.226 -0.285 -6.864 1.00 0.00 N ATOM 838 CA ILE A 55 0.207 -0.101 -8.262 1.00 0.00 C ATOM 839 C ILE A 55 0.373 1.385 -8.537 1.00 0.00 C ATOM 840 O ILE A 55 1.347 1.789 -9.120 1.00 0.00 O ATOM 841 CB ILE A 55 -0.811 -0.725 -9.270 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.969 -2.233 -8.999 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.357 -0.492 -10.720 1.00 0.00 C ATOM 844 CD1 ILE A 55 -2.050 -2.921 -9.818 1.00 0.00 C ATOM 0 H ILE A 55 -1.088 -0.821 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 55 1.157 -0.616 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.775 -0.236 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.016 -2.724 -9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.189 -2.376 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.081 -0.935 -11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.285 0.579 -10.911 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.618 -0.954 -10.875 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.086 -3.979 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.015 -2.462 -9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.825 -2.816 -10.879 1.00 0.00 H new ATOM 856 N LYS A 56 -0.555 2.181 -8.041 1.00 0.00 N ATOM 857 CA LYS A 56 -0.482 3.633 -8.133 1.00 0.00 C ATOM 858 C LYS A 56 0.779 4.173 -7.449 1.00 0.00 C ATOM 859 O LYS A 56 1.536 4.896 -8.062 1.00 0.00 O ATOM 860 CB LYS A 56 -1.752 4.252 -7.540 1.00 0.00 C ATOM 861 CG LYS A 56 -1.701 5.755 -7.286 1.00 0.00 C ATOM 862 CD LYS A 56 -3.065 6.294 -6.878 1.00 0.00 C ATOM 863 CE LYS A 56 -3.549 5.694 -5.569 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.884 6.188 -5.199 1.00 0.00 N ATOM 0 H LYS A 56 -1.387 1.840 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.416 3.915 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.583 4.044 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.972 3.750 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.974 5.969 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.360 6.267 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.012 7.378 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.789 6.079 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.575 4.608 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.841 5.934 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.107 5.892 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.898 7.226 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.593 5.795 -5.851 1.00 0.00 H new ATOM 878 N LYS A 57 1.012 3.757 -6.207 1.00 0.00 N ATOM 879 CA LYS A 57 2.163 4.216 -5.406 1.00 0.00 C ATOM 880 C LYS A 57 3.483 3.866 -6.099 1.00 0.00 C ATOM 881 O LYS A 57 4.365 4.702 -6.274 1.00 0.00 O ATOM 882 CB LYS A 57 2.178 3.524 -4.026 1.00 0.00 C ATOM 883 CG LYS A 57 0.882 3.567 -3.225 1.00 0.00 C ATOM 884 CD LYS A 57 0.380 4.975 -2.966 1.00 0.00 C ATOM 885 CE LYS A 57 1.333 5.736 -2.065 1.00 0.00 C ATOM 886 NZ LYS A 57 0.852 7.095 -1.788 1.00 0.00 N ATOM 0 H LYS A 57 0.412 3.091 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 57 2.063 5.296 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.453 2.480 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.965 3.980 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.114 3.008 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.036 3.063 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.268 5.504 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.607 4.934 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.456 5.195 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.315 5.787 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.530 7.584 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.759 7.619 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.074 7.046 -1.317 1.00 0.00 H new ATOM 900 N VAL A 58 3.577 2.634 -6.490 1.00 0.00 N ATOM 901 CA VAL A 58 4.757 2.057 -7.075 1.00 0.00 C ATOM 902 C VAL A 58 4.999 2.508 -8.524 1.00 0.00 C ATOM 903 O VAL A 58 6.153 2.622 -8.959 1.00 0.00 O ATOM 904 CB VAL A 58 4.634 0.534 -6.951 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.759 -0.206 -7.637 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.582 0.169 -5.476 1.00 0.00 C ATOM 0 H VAL A 58 2.805 1.972 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 58 5.636 2.410 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 58 3.718 0.228 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.616 -1.280 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.763 0.041 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.711 0.087 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.494 -0.912 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.494 0.508 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.720 0.649 -5.013 1.00 0.00 H new ATOM 916 N SER A 59 3.943 2.793 -9.263 1.00 0.00 N ATOM 917 CA SER A 59 4.134 3.270 -10.626 1.00 0.00 C ATOM 918 C SER A 59 4.563 4.735 -10.593 1.00 0.00 C ATOM 919 O SER A 59 5.359 5.200 -11.422 1.00 0.00 O ATOM 920 CB SER A 59 2.894 3.047 -11.526 1.00 0.00 C ATOM 921 OG SER A 59 1.716 3.645 -10.987 1.00 0.00 O ATOM 0 H SER A 59 2.973 2.708 -8.959 1.00 0.00 H new ATOM 0 HA SER A 59 4.926 2.677 -11.083 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.088 3.460 -12.516 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.729 1.977 -11.654 1.00 0.00 H new ATOM 0 HG SER A 59 1.365 3.084 -10.264 1.00 0.00 H new ATOM 927 N ASN A 60 4.043 5.432 -9.595 1.00 0.00 N ATOM 928 CA ASN A 60 4.354 6.802 -9.308 1.00 0.00 C ATOM 929 C ASN A 60 5.799 6.958 -8.879 1.00 0.00 C ATOM 930 O ASN A 60 6.534 7.798 -9.411 1.00 0.00 O ATOM 931 CB ASN A 60 3.429 7.267 -8.180 1.00 0.00 C ATOM 932 CG ASN A 60 3.682 8.662 -7.712 1.00 0.00 C ATOM 933 OD1 ASN A 60 4.437 8.903 -6.750 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.062 9.568 -8.357 1.00 0.00 N ATOM 0 H ASN A 60 3.367 5.033 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 60 4.209 7.403 -10.206 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.396 7.192 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.537 6.588 -7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.171 10.547 -8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.456 9.314 -9.137 1.00 0.00 H new ATOM 941 N ASN A 61 6.213 6.143 -7.944 1.00 0.00 N ATOM 942 CA ASN A 61 7.521 6.277 -7.375 1.00 0.00 C ATOM 943 C ASN A 61 8.565 5.361 -8.027 1.00 0.00 C ATOM 944 O ASN A 61 9.311 5.797 -8.905 1.00 0.00 O ATOM 945 CB ASN A 61 7.474 6.069 -5.866 1.00 0.00 C ATOM 946 CG ASN A 61 8.797 6.338 -5.190 1.00 0.00 C ATOM 947 OD1 ASN A 61 9.572 7.195 -5.610 1.00 0.00 O ATOM 948 ND2 ASN A 61 9.074 5.600 -4.168 1.00 0.00 N ATOM 0 H ASN A 61 5.658 5.378 -7.562 1.00 0.00 H new ATOM 0 HA ASN A 61 7.846 7.297 -7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.714 6.724 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.167 5.045 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.962 5.718 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.405 4.899 -3.849 1.00 0.00 H new ATOM 955 N THR A 62 8.631 4.103 -7.610 1.00 0.00 N ATOM 956 CA THR A 62 9.663 3.195 -8.087 1.00 0.00 C ATOM 957 C THR A 62 9.158 1.757 -8.025 1.00 0.00 C ATOM 958 O THR A 62 8.563 1.363 -7.040 1.00 0.00 O ATOM 959 CB THR A 62 10.934 3.320 -7.194 1.00 0.00 C ATOM 960 OG1 THR A 62 11.361 4.695 -7.142 1.00 0.00 O ATOM 961 CG2 THR A 62 12.076 2.471 -7.733 1.00 0.00 C ATOM 0 H THR A 62 7.981 3.689 -6.942 1.00 0.00 H new ATOM 0 HA THR A 62 9.909 3.456 -9.116 1.00 0.00 H new ATOM 0 HB THR A 62 10.675 2.966 -6.196 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.159 4.769 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.947 2.581 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.772 1.425 -7.757 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.328 2.799 -8.742 1.00 0.00 H new ATOM 969 N SER A 63 9.368 1.005 -9.077 1.00 0.00 N ATOM 970 CA SER A 63 8.982 -0.372 -9.095 1.00 0.00 C ATOM 971 C SER A 63 10.215 -1.253 -8.859 1.00 0.00 C ATOM 972 O SER A 63 10.906 -1.597 -9.838 1.00 0.00 O ATOM 973 CB SER A 63 8.308 -0.686 -10.425 1.00 0.00 C ATOM 974 OG SER A 63 7.244 0.246 -10.666 1.00 0.00 O ATOM 975 OXT SER A 63 10.521 -1.572 -7.689 1.00 0.00 O ATOM 0 H SER A 63 9.809 1.333 -9.936 1.00 0.00 H new ATOM 0 HA SER A 63 8.269 -0.578 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.038 -0.635 -11.233 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.916 -1.703 -10.413 1.00 0.00 H new ATOM 0 HG SER A 63 6.816 0.039 -11.523 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.395 -1.534 0.121 1.00 0.00 CA HETATM 983 CA CA A 102 -8.529 -2.032 1.606 1.00 0.00 CA