USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 CYS SG : rot -70:sc= -2.31! USER MOD Set 1.2: A 60 GLN : amide:sc= 0 K(o=-2.3,f=-4.3) USER MOD Single : A 8 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 9 SER OG : rot 53:sc= 1.39 USER MOD Single : A 10 THR OG1 : rot -13:sc= 0.16 USER MOD Single : A 16 MET CE :methyl -164:sc= -0.0285 (180deg=-0.326) USER MOD Single : A 17 THR OG1 : rot 46:sc= 0.0252 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0764 USER MOD Single : A 19 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.073) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -9:sc= -0.891 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 83:sc= 1.05 USER MOD Single : A 30 SER OG : rot -9:sc= 1.24 USER MOD Single : A 31 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.0127 (180deg=-0.147) USER MOD Single : A 37 SER OG : rot 110:sc= -2.14! USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc=-0.00598 (180deg=-0.103) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= -0.129 (180deg=-1.82!) USER MOD Single : A 51 TYR OH : rot 1:sc= 0.58 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.73) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.052) USER MOD Single : A 64 GLN : amide:sc= -2.18! C(o=-2.2!,f=-5.7!) USER MOD Single : A 68 MET CE :methyl 176:sc=-0.00903 (180deg=-0.0263) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 4.419 -10.578 -1.429 1.00 0.00 N ATOM 72 CA VAL A 6 3.829 -9.387 -0.853 1.00 0.00 C ATOM 73 C VAL A 6 4.843 -8.256 -0.846 1.00 0.00 C ATOM 74 O VAL A 6 6.051 -8.497 -0.783 1.00 0.00 O ATOM 75 CB VAL A 6 3.316 -9.630 0.591 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.147 -10.603 0.595 1.00 0.00 C ATOM 77 CG2 VAL A 6 4.441 -10.152 1.477 1.00 0.00 C ATOM 0 HA VAL A 6 2.973 -9.118 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 6 2.970 -8.677 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.805 -10.757 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.332 -10.195 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.465 -11.556 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.063 -10.317 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.817 -11.092 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.249 -9.421 1.507 1.00 0.00 H new ATOM 87 N ALA A 7 4.361 -7.032 -0.930 1.00 0.00 N ATOM 88 CA ALA A 7 5.232 -5.874 -0.936 1.00 0.00 C ATOM 89 C ALA A 7 4.593 -4.721 -0.184 1.00 0.00 C ATOM 90 O ALA A 7 3.365 -4.636 -0.083 1.00 0.00 O ATOM 91 CB ALA A 7 5.555 -5.460 -2.367 1.00 0.00 C ATOM 0 H ALA A 7 3.367 -6.813 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 7 6.161 -6.140 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.210 -4.589 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.054 -6.282 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.632 -5.212 -2.891 1.00 0.00 H new ATOM 97 N THR A 8 5.425 -3.853 0.360 1.00 0.00 N ATOM 98 CA THR A 8 4.957 -2.693 1.087 1.00 0.00 C ATOM 99 C THR A 8 5.611 -1.445 0.529 1.00 0.00 C ATOM 100 O THR A 8 6.690 -1.518 -0.062 1.00 0.00 O ATOM 101 CB THR A 8 5.299 -2.796 2.591 1.00 0.00 C ATOM 102 OG1 THR A 8 6.725 -2.881 2.759 1.00 0.00 O ATOM 103 CG2 THR A 8 4.645 -4.018 3.215 1.00 0.00 C ATOM 0 H THR A 8 6.441 -3.933 0.310 1.00 0.00 H new ATOM 0 HA THR A 8 3.874 -2.643 0.974 1.00 0.00 H new ATOM 0 HB THR A 8 4.919 -1.905 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.111 -1.980 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.901 -4.067 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.563 -3.947 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.001 -4.918 2.713 1.00 0.00 H new ATOM 111 N SER A 9 4.964 -0.322 0.695 1.00 0.00 N ATOM 112 CA SER A 9 5.507 0.937 0.254 1.00 0.00 C ATOM 113 C SER A 9 4.826 2.065 1.015 1.00 0.00 C ATOM 114 O SER A 9 3.795 1.847 1.656 1.00 0.00 O ATOM 115 CB SER A 9 5.315 1.097 -1.258 1.00 0.00 C ATOM 116 OG SER A 9 6.034 2.204 -1.750 1.00 0.00 O ATOM 0 H SER A 9 4.048 -0.253 1.138 1.00 0.00 H new ATOM 0 HA SER A 9 6.577 0.969 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.645 0.191 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.255 1.220 -1.481 1.00 0.00 H new ATOM 0 HG SER A 9 6.969 2.139 -1.465 1.00 0.00 H new ATOM 122 N THR A 10 5.401 3.241 0.983 1.00 0.00 N ATOM 123 CA THR A 10 4.811 4.384 1.652 1.00 0.00 C ATOM 124 C THR A 10 4.475 5.456 0.637 1.00 0.00 C ATOM 125 O THR A 10 5.192 5.634 -0.342 1.00 0.00 O ATOM 126 CB THR A 10 5.756 4.961 2.733 1.00 0.00 C ATOM 127 OG1 THR A 10 7.026 5.297 2.153 1.00 0.00 O ATOM 128 CG2 THR A 10 5.963 3.966 3.865 1.00 0.00 C ATOM 0 H THR A 10 6.278 3.437 0.501 1.00 0.00 H new ATOM 0 HA THR A 10 3.900 4.049 2.148 1.00 0.00 H new ATOM 0 HB THR A 10 5.292 5.860 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.091 4.905 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.631 4.397 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.003 3.736 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.403 3.051 3.469 1.00 0.00 H new ATOM 136 N VAL A 11 3.393 6.160 0.859 1.00 0.00 N ATOM 137 CA VAL A 11 2.969 7.188 -0.058 1.00 0.00 C ATOM 138 C VAL A 11 2.360 8.371 0.687 1.00 0.00 C ATOM 139 O VAL A 11 1.499 8.200 1.548 1.00 0.00 O ATOM 140 CB VAL A 11 1.955 6.619 -1.103 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.741 5.998 -0.420 1.00 0.00 C ATOM 142 CG2 VAL A 11 1.522 7.691 -2.090 1.00 0.00 C ATOM 0 H VAL A 11 2.787 6.039 1.671 1.00 0.00 H new ATOM 0 HA VAL A 11 3.851 7.541 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 11 2.468 5.833 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.056 5.612 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.065 5.182 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.233 6.755 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.817 7.265 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.043 8.509 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.395 8.069 -2.623 1.00 0.00 H new ATOM 152 N ARG A 12 2.829 9.565 0.374 1.00 0.00 N ATOM 153 CA ARG A 12 2.286 10.766 0.979 1.00 0.00 C ATOM 154 C ARG A 12 1.131 11.262 0.145 1.00 0.00 C ATOM 155 O ARG A 12 1.140 11.122 -1.078 1.00 0.00 O ATOM 156 CB ARG A 12 3.345 11.868 1.102 1.00 0.00 C ATOM 157 CG ARG A 12 3.913 12.304 -0.228 1.00 0.00 C ATOM 158 CD ARG A 12 4.797 13.536 -0.104 1.00 0.00 C ATOM 159 NE ARG A 12 4.027 14.731 0.258 1.00 0.00 N ATOM 160 CZ ARG A 12 4.533 15.965 0.322 1.00 0.00 C ATOM 161 NH1 ARG A 12 5.812 16.180 0.046 1.00 0.00 N ATOM 162 NH2 ARG A 12 3.756 16.979 0.665 1.00 0.00 N ATOM 0 H ARG A 12 3.583 9.728 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 12 1.947 10.518 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.905 12.731 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.157 11.513 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.491 11.487 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.096 12.514 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.564 13.357 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.312 13.709 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 12 3.038 14.611 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.415 15.400 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.193 17.125 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.772 16.818 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.141 17.922 0.714 1.00 0.00 H new ATOM 176 N ILE A 13 0.159 11.843 0.789 1.00 0.00 N ATOM 177 CA ILE A 13 -1.006 12.351 0.095 1.00 0.00 C ATOM 178 C ILE A 13 -1.015 13.863 0.153 1.00 0.00 C ATOM 179 O ILE A 13 -1.023 14.448 1.238 1.00 0.00 O ATOM 180 CB ILE A 13 -2.338 11.811 0.699 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.394 10.271 0.672 1.00 0.00 C ATOM 182 CG2 ILE A 13 -3.530 12.395 -0.039 1.00 0.00 C ATOM 183 CD1 ILE A 13 -1.660 9.597 1.817 1.00 0.00 C ATOM 0 H ILE A 13 0.144 11.981 1.800 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.942 12.006 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.377 12.125 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.438 9.957 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.972 9.921 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.452 12.008 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.516 13.481 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.479 12.115 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.750 8.515 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.607 9.877 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.095 9.914 2.765 1.00 0.00 H new ATOM 195 N LEU A 14 -1.000 14.499 -0.998 1.00 0.00 N ATOM 196 CA LEU A 14 -0.996 15.939 -1.051 1.00 0.00 C ATOM 197 C LEU A 14 -2.284 16.455 -1.682 1.00 0.00 C ATOM 198 O LEU A 14 -2.532 16.256 -2.879 1.00 0.00 O ATOM 199 CB LEU A 14 0.223 16.432 -1.835 1.00 0.00 C ATOM 200 CG LEU A 14 0.372 17.947 -1.951 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.519 18.574 -0.574 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.563 18.295 -2.825 1.00 0.00 C ATOM 0 H LEU A 14 -0.990 14.039 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.937 16.326 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.121 16.033 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.179 16.013 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.528 18.349 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.624 19.654 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.364 18.350 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.403 18.168 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.656 19.379 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.470 17.882 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.419 17.875 -3.821 1.00 0.00 H new ATOM 214 N GLY A 15 -3.096 17.119 -0.882 1.00 0.00 N ATOM 215 CA GLY A 15 -4.337 17.657 -1.376 1.00 0.00 C ATOM 216 C GLY A 15 -4.963 18.622 -0.408 1.00 0.00 C ATOM 217 O GLY A 15 -4.663 18.592 0.786 1.00 0.00 O ATOM 0 H GLY A 15 -2.915 17.295 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.160 18.161 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.032 16.841 -1.573 1.00 0.00 H new ATOM 221 N MET A 16 -5.816 19.494 -0.918 1.00 0.00 N ATOM 222 CA MET A 16 -6.521 20.458 -0.083 1.00 0.00 C ATOM 223 C MET A 16 -7.467 19.746 0.891 1.00 0.00 C ATOM 224 O MET A 16 -7.547 20.098 2.070 1.00 0.00 O ATOM 225 CB MET A 16 -7.289 21.458 -0.954 1.00 0.00 C ATOM 226 CG MET A 16 -8.006 22.545 -0.167 1.00 0.00 C ATOM 227 SD MET A 16 -8.862 23.726 -1.229 1.00 0.00 S ATOM 228 CE MET A 16 -7.472 24.582 -1.974 1.00 0.00 C ATOM 0 H MET A 16 -6.039 19.556 -1.911 1.00 0.00 H new ATOM 0 HA MET A 16 -5.785 21.007 0.504 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.593 21.927 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.021 20.915 -1.553 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.725 22.083 0.509 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.283 23.077 0.451 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.817 25.512 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.729 24.805 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.024 23.950 -2.741 1.00 0.00 H new ATOM 238 N THR A 17 -8.174 18.749 0.388 1.00 0.00 N ATOM 239 CA THR A 17 -9.098 17.979 1.195 1.00 0.00 C ATOM 240 C THR A 17 -8.606 16.535 1.358 1.00 0.00 C ATOM 241 O THR A 17 -8.633 15.743 0.411 1.00 0.00 O ATOM 242 CB THR A 17 -10.502 17.992 0.564 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.390 17.781 -0.852 1.00 0.00 O ATOM 244 CG2 THR A 17 -11.202 19.319 0.826 1.00 0.00 C ATOM 0 H THR A 17 -8.123 18.453 -0.587 1.00 0.00 H new ATOM 0 HA THR A 17 -9.151 18.439 2.182 1.00 0.00 H new ATOM 0 HB THR A 17 -11.093 17.194 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.775 17.037 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.192 19.304 0.371 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.299 19.473 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.616 20.131 0.395 1.00 0.00 H new ATOM 252 N CYS A 18 -8.154 16.203 2.559 1.00 0.00 N ATOM 253 CA CYS A 18 -7.615 14.879 2.837 1.00 0.00 C ATOM 254 C CYS A 18 -8.703 13.799 2.825 1.00 0.00 C ATOM 255 O CYS A 18 -8.501 12.708 2.285 1.00 0.00 O ATOM 256 CB CYS A 18 -6.868 14.879 4.176 1.00 0.00 C ATOM 257 SG CYS A 18 -7.861 15.427 5.586 1.00 0.00 S ATOM 0 H CYS A 18 -8.150 16.835 3.360 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.914 14.637 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.503 13.871 4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.994 15.524 4.090 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.139 15.388 6.666 1.00 0.00 H new ATOM 263 N GLN A 19 -9.855 14.107 3.395 1.00 0.00 N ATOM 264 CA GLN A 19 -10.947 13.144 3.460 1.00 0.00 C ATOM 265 C GLN A 19 -11.446 12.786 2.062 1.00 0.00 C ATOM 266 O GLN A 19 -11.701 11.621 1.763 1.00 0.00 O ATOM 267 CB GLN A 19 -12.103 13.688 4.304 1.00 0.00 C ATOM 268 CG GLN A 19 -13.246 12.699 4.490 1.00 0.00 C ATOM 269 CD GLN A 19 -12.828 11.460 5.257 1.00 0.00 C ATOM 270 OE1 GLN A 19 -12.382 10.470 4.678 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.985 11.499 6.562 1.00 0.00 N ATOM 0 H GLN A 19 -10.061 15.012 3.819 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.563 12.240 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.721 13.976 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.490 14.592 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.063 13.190 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.629 12.405 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.358 12.338 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.734 10.690 7.130 1.00 0.00 H new ATOM 280 N SER A 20 -11.553 13.791 1.208 1.00 0.00 N ATOM 281 CA SER A 20 -12.075 13.603 -0.135 1.00 0.00 C ATOM 282 C SER A 20 -11.209 12.635 -0.954 1.00 0.00 C ATOM 283 O SER A 20 -11.733 11.717 -1.596 1.00 0.00 O ATOM 284 CB SER A 20 -12.197 14.953 -0.849 1.00 0.00 C ATOM 285 OG SER A 20 -12.724 14.801 -2.154 1.00 0.00 O ATOM 0 H SER A 20 -11.283 14.751 1.423 1.00 0.00 H new ATOM 0 HA SER A 20 -13.066 13.157 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.840 15.616 -0.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.217 15.427 -0.904 1.00 0.00 H new ATOM 0 HG SER A 20 -12.792 15.679 -2.584 1.00 0.00 H new ATOM 291 N CYS A 21 -9.891 12.820 -0.914 1.00 0.00 N ATOM 292 CA CYS A 21 -8.993 11.968 -1.678 1.00 0.00 C ATOM 293 C CYS A 21 -8.991 10.543 -1.150 1.00 0.00 C ATOM 294 O CYS A 21 -9.064 9.588 -1.926 1.00 0.00 O ATOM 295 CB CYS A 21 -7.574 12.544 -1.697 1.00 0.00 C ATOM 296 SG CYS A 21 -6.861 12.870 -0.072 1.00 0.00 S ATOM 0 H CYS A 21 -9.428 13.545 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.363 11.939 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.924 11.850 -2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.583 13.474 -2.266 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.775 12.721 0.841 1.00 0.00 H new ATOM 302 N VAL A 22 -8.937 10.403 0.171 1.00 0.00 N ATOM 303 CA VAL A 22 -8.921 9.093 0.795 1.00 0.00 C ATOM 304 C VAL A 22 -10.208 8.340 0.490 1.00 0.00 C ATOM 305 O VAL A 22 -10.177 7.176 0.104 1.00 0.00 O ATOM 306 CB VAL A 22 -8.719 9.192 2.331 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.899 7.832 2.997 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.343 9.759 2.651 1.00 0.00 C ATOM 0 H VAL A 22 -8.904 11.184 0.827 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.076 8.545 0.378 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.478 9.867 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.752 7.931 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.905 7.461 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.169 7.130 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.218 9.822 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.575 9.108 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.250 10.754 2.217 1.00 0.00 H new ATOM 318 N LYS A 23 -11.334 9.022 0.635 1.00 0.00 N ATOM 319 CA LYS A 23 -12.629 8.404 0.387 1.00 0.00 C ATOM 320 C LYS A 23 -12.762 7.965 -1.072 1.00 0.00 C ATOM 321 O LYS A 23 -13.214 6.846 -1.362 1.00 0.00 O ATOM 322 CB LYS A 23 -13.765 9.364 0.751 1.00 0.00 C ATOM 323 CG LYS A 23 -15.151 8.776 0.542 1.00 0.00 C ATOM 324 CD LYS A 23 -16.239 9.760 0.925 1.00 0.00 C ATOM 325 CE LYS A 23 -17.618 9.163 0.702 1.00 0.00 C ATOM 326 NZ LYS A 23 -18.699 10.107 1.067 1.00 0.00 N ATOM 0 H LYS A 23 -11.378 10.000 0.922 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.699 7.519 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.659 9.660 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.670 10.270 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.271 8.489 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.255 7.868 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.126 10.043 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.134 10.671 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.724 8.878 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.718 8.252 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.622 9.659 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.614 10.360 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.620 10.966 0.486 1.00 0.00 H new ATOM 340 N SER A 24 -12.355 8.843 -1.981 1.00 0.00 N ATOM 341 CA SER A 24 -12.469 8.584 -3.406 1.00 0.00 C ATOM 342 C SER A 24 -11.619 7.383 -3.849 1.00 0.00 C ATOM 343 O SER A 24 -12.086 6.533 -4.616 1.00 0.00 O ATOM 344 CB SER A 24 -12.096 9.838 -4.195 1.00 0.00 C ATOM 345 OG SER A 24 -13.003 10.897 -3.910 1.00 0.00 O ATOM 0 H SER A 24 -11.940 9.746 -1.751 1.00 0.00 H new ATOM 0 HA SER A 24 -13.507 8.326 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.081 10.144 -3.943 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.108 9.619 -5.263 1.00 0.00 H new ATOM 0 HG SER A 24 -12.730 11.349 -3.084 1.00 0.00 H new ATOM 351 N ILE A 25 -10.383 7.294 -3.354 1.00 0.00 N ATOM 352 CA ILE A 25 -9.523 6.181 -3.714 1.00 0.00 C ATOM 353 C ILE A 25 -9.960 4.912 -3.005 1.00 0.00 C ATOM 354 O ILE A 25 -9.805 3.817 -3.532 1.00 0.00 O ATOM 355 CB ILE A 25 -8.034 6.467 -3.410 1.00 0.00 C ATOM 356 CG1 ILE A 25 -7.799 6.647 -1.905 1.00 0.00 C ATOM 357 CG2 ILE A 25 -7.589 7.700 -4.167 1.00 0.00 C ATOM 358 CD1 ILE A 25 -6.338 6.761 -1.520 1.00 0.00 C ATOM 0 H ILE A 25 -9.966 7.970 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.621 6.045 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.443 5.611 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.324 7.542 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.239 5.802 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.539 7.900 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.715 7.535 -5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.192 8.554 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.255 6.886 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.810 5.856 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.896 7.623 -2.020 1.00 0.00 H new ATOM 370 N GLU A 26 -10.551 5.076 -1.824 1.00 0.00 N ATOM 371 CA GLU A 26 -11.031 3.952 -1.037 1.00 0.00 C ATOM 372 C GLU A 26 -12.088 3.188 -1.812 1.00 0.00 C ATOM 373 O GLU A 26 -12.098 1.960 -1.822 1.00 0.00 O ATOM 374 CB GLU A 26 -11.616 4.442 0.283 1.00 0.00 C ATOM 375 CG GLU A 26 -12.102 3.332 1.193 1.00 0.00 C ATOM 376 CD GLU A 26 -12.747 3.860 2.445 1.00 0.00 C ATOM 377 OE1 GLU A 26 -13.941 4.226 2.390 1.00 0.00 O ATOM 378 OE2 GLU A 26 -12.076 3.912 3.493 1.00 0.00 O ATOM 0 H GLU A 26 -10.708 5.986 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.191 3.290 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.860 5.024 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.447 5.115 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.816 2.710 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.262 2.692 1.462 1.00 0.00 H new ATOM 385 N ASP A 27 -12.974 3.925 -2.469 1.00 0.00 N ATOM 386 CA ASP A 27 -14.026 3.314 -3.267 1.00 0.00 C ATOM 387 C ASP A 27 -13.420 2.475 -4.386 1.00 0.00 C ATOM 388 O ASP A 27 -13.827 1.332 -4.615 1.00 0.00 O ATOM 389 CB ASP A 27 -14.942 4.380 -3.862 1.00 0.00 C ATOM 390 CG ASP A 27 -16.096 3.777 -4.633 1.00 0.00 C ATOM 391 OD1 ASP A 27 -17.078 3.341 -3.994 1.00 0.00 O ATOM 392 OD2 ASP A 27 -16.034 3.745 -5.882 1.00 0.00 O ATOM 0 H ASP A 27 -12.984 4.945 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.616 2.670 -2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.331 5.010 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.364 5.026 -4.523 1.00 0.00 H new ATOM 397 N ARG A 28 -12.423 3.035 -5.062 1.00 0.00 N ATOM 398 CA ARG A 28 -11.749 2.330 -6.145 1.00 0.00 C ATOM 399 C ARG A 28 -11.058 1.083 -5.602 1.00 0.00 C ATOM 400 O ARG A 28 -11.128 0.001 -6.198 1.00 0.00 O ATOM 401 CB ARG A 28 -10.707 3.236 -6.798 1.00 0.00 C ATOM 402 CG ARG A 28 -11.269 4.468 -7.506 1.00 0.00 C ATOM 403 CD ARG A 28 -12.208 4.102 -8.647 1.00 0.00 C ATOM 404 NE ARG A 28 -13.571 3.816 -8.182 1.00 0.00 N ATOM 405 CZ ARG A 28 -14.548 3.361 -8.966 1.00 0.00 C ATOM 406 NH1 ARG A 28 -14.301 3.062 -10.235 1.00 0.00 N ATOM 407 NH2 ARG A 28 -15.768 3.188 -8.473 1.00 0.00 N ATOM 0 H ARG A 28 -12.065 3.972 -4.880 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.493 2.043 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.004 3.565 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.140 2.649 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.802 5.087 -6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.446 5.068 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.237 4.920 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.816 3.230 -9.171 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.783 3.976 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.361 3.180 -10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.051 2.714 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.958 3.403 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.516 2.840 -9.073 1.00 0.00 H new ATOM 421 N ILE A 29 -10.422 1.244 -4.450 1.00 0.00 N ATOM 422 CA ILE A 29 -9.738 0.151 -3.782 1.00 0.00 C ATOM 423 C ILE A 29 -10.720 -0.956 -3.417 1.00 0.00 C ATOM 424 O ILE A 29 -10.466 -2.116 -3.676 1.00 0.00 O ATOM 425 CB ILE A 29 -9.004 0.644 -2.505 1.00 0.00 C ATOM 426 CG1 ILE A 29 -7.831 1.555 -2.888 1.00 0.00 C ATOM 427 CG2 ILE A 29 -8.517 -0.532 -1.664 1.00 0.00 C ATOM 428 CD1 ILE A 29 -7.204 2.274 -1.712 1.00 0.00 C ATOM 0 H ILE A 29 -10.367 2.134 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.997 -0.245 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.711 1.215 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.067 0.958 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.178 2.294 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.007 -0.158 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.369 -1.142 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.827 -1.138 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.382 2.898 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.953 2.900 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.825 1.542 -0.999 1.00 0.00 H new ATOM 440 N SER A 30 -11.857 -0.580 -2.847 1.00 0.00 N ATOM 441 CA SER A 30 -12.872 -1.553 -2.458 1.00 0.00 C ATOM 442 C SER A 30 -13.446 -2.287 -3.678 1.00 0.00 C ATOM 443 O SER A 30 -13.979 -3.390 -3.558 1.00 0.00 O ATOM 444 CB SER A 30 -13.986 -0.884 -1.635 1.00 0.00 C ATOM 445 OG SER A 30 -14.653 0.127 -2.378 1.00 0.00 O ATOM 0 H SER A 30 -12.100 0.389 -2.644 1.00 0.00 H new ATOM 0 HA SER A 30 -12.390 -2.300 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.707 -1.638 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.560 -0.450 -0.731 1.00 0.00 H new ATOM 0 HG SER A 30 -14.173 0.287 -3.217 1.00 0.00 H new ATOM 451 N ASN A 31 -13.343 -1.664 -4.849 1.00 0.00 N ATOM 452 CA ASN A 31 -13.805 -2.293 -6.082 1.00 0.00 C ATOM 453 C ASN A 31 -12.665 -3.052 -6.764 1.00 0.00 C ATOM 454 O ASN A 31 -12.872 -3.737 -7.764 1.00 0.00 O ATOM 455 CB ASN A 31 -14.398 -1.247 -7.039 1.00 0.00 C ATOM 456 CG ASN A 31 -15.709 -0.668 -6.534 1.00 0.00 C ATOM 457 OD1 ASN A 31 -16.447 -1.320 -5.802 1.00 0.00 O ATOM 458 ND2 ASN A 31 -16.007 0.558 -6.924 1.00 0.00 N ATOM 0 H ASN A 31 -12.947 -0.732 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.588 -3.006 -5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.679 -0.440 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.559 -1.704 -8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.876 0.994 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.368 1.069 -7.533 1.00 0.00 H new ATOM 465 N LEU A 32 -11.469 -2.912 -6.217 1.00 0.00 N ATOM 466 CA LEU A 32 -10.281 -3.592 -6.729 1.00 0.00 C ATOM 467 C LEU A 32 -9.905 -4.795 -5.845 1.00 0.00 C ATOM 468 O LEU A 32 -9.806 -4.671 -4.633 1.00 0.00 O ATOM 469 CB LEU A 32 -9.111 -2.599 -6.788 1.00 0.00 C ATOM 470 CG LEU A 32 -7.765 -3.159 -7.256 1.00 0.00 C ATOM 471 CD1 LEU A 32 -7.864 -3.686 -8.676 1.00 0.00 C ATOM 472 CD2 LEU A 32 -6.684 -2.094 -7.154 1.00 0.00 C ATOM 0 H LEU A 32 -11.289 -2.323 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.499 -3.965 -7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.390 -1.781 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.976 -2.171 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.495 -3.990 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.896 -4.079 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.608 -4.481 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.159 -2.877 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.733 -2.507 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.951 -1.243 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.592 -1.767 -6.118 1.00 0.00 H new ATOM 484 N LYS A 33 -9.732 -5.959 -6.455 1.00 0.00 N ATOM 485 CA LYS A 33 -9.297 -7.148 -5.717 1.00 0.00 C ATOM 486 C LYS A 33 -7.776 -7.197 -5.602 1.00 0.00 C ATOM 487 O LYS A 33 -7.063 -6.641 -6.441 1.00 0.00 O ATOM 488 CB LYS A 33 -9.828 -8.433 -6.347 1.00 0.00 C ATOM 489 CG LYS A 33 -11.330 -8.596 -6.226 1.00 0.00 C ATOM 490 CD LYS A 33 -11.792 -9.900 -6.845 1.00 0.00 C ATOM 491 CE LYS A 33 -13.285 -10.104 -6.657 1.00 0.00 C ATOM 492 NZ LYS A 33 -14.081 -9.040 -7.311 1.00 0.00 N ATOM 0 H LYS A 33 -9.884 -6.111 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.717 -7.073 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.553 -8.450 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.340 -9.286 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.618 -8.567 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.830 -7.761 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.554 -9.904 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.250 -10.731 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.572 -11.073 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.516 -10.126 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.085 -9.313 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.969 -8.150 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.749 -8.909 -8.288 1.00 0.00 H new ATOM 506 N GLY A 34 -7.286 -7.863 -4.565 1.00 0.00 N ATOM 507 CA GLY A 34 -5.856 -7.928 -4.332 1.00 0.00 C ATOM 508 C GLY A 34 -5.468 -7.154 -3.096 1.00 0.00 C ATOM 509 O GLY A 34 -4.279 -6.949 -2.815 1.00 0.00 O ATOM 0 H GLY A 34 -7.854 -8.360 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.550 -8.968 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.326 -7.528 -5.196 1.00 0.00 H new ATOM 513 N ILE A 35 -6.479 -6.724 -2.361 1.00 0.00 N ATOM 514 CA ILE A 35 -6.294 -5.928 -1.168 1.00 0.00 C ATOM 515 C ILE A 35 -5.745 -6.774 -0.033 1.00 0.00 C ATOM 516 O ILE A 35 -6.329 -7.797 0.325 1.00 0.00 O ATOM 517 CB ILE A 35 -7.642 -5.339 -0.685 1.00 0.00 C ATOM 518 CG1 ILE A 35 -8.303 -4.504 -1.775 1.00 0.00 C ATOM 519 CG2 ILE A 35 -7.434 -4.495 0.568 1.00 0.00 C ATOM 520 CD1 ILE A 35 -9.707 -4.070 -1.420 1.00 0.00 C ATOM 0 H ILE A 35 -7.456 -6.920 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.596 -5.131 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.304 -6.172 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.694 -3.621 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.330 -5.080 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.391 -4.088 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.014 -5.116 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.748 -3.677 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.123 -3.479 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.329 -4.950 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.683 -3.468 -0.512 1.00 0.00 H new ATOM 532 N ILE A 36 -4.618 -6.368 0.515 1.00 0.00 N ATOM 533 CA ILE A 36 -4.108 -7.011 1.701 1.00 0.00 C ATOM 534 C ILE A 36 -4.439 -6.138 2.894 1.00 0.00 C ATOM 535 O ILE A 36 -5.271 -6.491 3.727 1.00 0.00 O ATOM 536 CB ILE A 36 -2.578 -7.244 1.653 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.195 -8.113 0.461 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.105 -7.895 2.945 1.00 0.00 C ATOM 539 CD1 ILE A 36 -0.698 -8.255 0.281 1.00 0.00 C ATOM 0 H ILE A 36 -4.045 -5.603 0.160 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.576 -7.992 1.775 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.091 -6.275 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.635 -9.103 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.624 -7.685 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.028 -8.054 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.340 -7.245 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.608 -8.853 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.494 -8.885 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.255 -7.271 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.266 -8.711 1.172 1.00 0.00 H new ATOM 551 N SER A 37 -3.801 -4.981 2.954 1.00 0.00 N ATOM 552 CA SER A 37 -4.053 -4.025 4.001 1.00 0.00 C ATOM 553 C SER A 37 -3.447 -2.682 3.627 1.00 0.00 C ATOM 554 O SER A 37 -2.363 -2.624 3.061 1.00 0.00 O ATOM 555 CB SER A 37 -3.467 -4.519 5.329 1.00 0.00 C ATOM 556 OG SER A 37 -3.764 -3.626 6.383 1.00 0.00 O ATOM 0 H SER A 37 -3.097 -4.686 2.277 1.00 0.00 H new ATOM 0 HA SER A 37 -5.130 -3.909 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.867 -5.506 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.387 -4.628 5.235 1.00 0.00 H new ATOM 0 HG SER A 37 -4.412 -4.040 6.990 1.00 0.00 H new ATOM 562 N MET A 38 -4.147 -1.618 3.920 1.00 0.00 N ATOM 563 CA MET A 38 -3.625 -0.293 3.681 1.00 0.00 C ATOM 564 C MET A 38 -3.924 0.572 4.875 1.00 0.00 C ATOM 565 O MET A 38 -5.073 0.644 5.326 1.00 0.00 O ATOM 566 CB MET A 38 -4.222 0.327 2.414 1.00 0.00 C ATOM 567 CG MET A 38 -3.651 1.702 2.086 1.00 0.00 C ATOM 568 SD MET A 38 -4.325 2.402 0.569 1.00 0.00 S ATOM 569 CE MET A 38 -3.435 3.954 0.491 1.00 0.00 C ATOM 0 H MET A 38 -5.083 -1.640 4.326 1.00 0.00 H new ATOM 0 HA MET A 38 -2.548 -0.364 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.044 -0.342 1.572 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.302 0.409 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.855 2.381 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.567 1.627 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.743 4.506 -0.397 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.655 4.545 1.380 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.364 3.757 0.443 1.00 0.00 H new ATOM 579 N LYS A 39 -2.913 1.213 5.402 1.00 0.00 N ATOM 580 CA LYS A 39 -3.094 2.045 6.564 1.00 0.00 C ATOM 581 C LYS A 39 -2.712 3.465 6.242 1.00 0.00 C ATOM 582 O LYS A 39 -1.637 3.720 5.711 1.00 0.00 O ATOM 583 CB LYS A 39 -2.260 1.519 7.741 1.00 0.00 C ATOM 584 CG LYS A 39 -2.545 0.063 8.094 1.00 0.00 C ATOM 585 CD LYS A 39 -4.003 -0.152 8.471 1.00 0.00 C ATOM 586 CE LYS A 39 -4.302 -1.620 8.740 1.00 0.00 C ATOM 587 NZ LYS A 39 -3.530 -2.148 9.885 1.00 0.00 N ATOM 0 H LYS A 39 -1.958 1.175 5.046 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.145 2.019 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.202 1.625 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.452 2.140 8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.291 -0.573 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.906 -0.242 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.241 0.437 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.644 0.209 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.367 -1.742 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.073 -2.205 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.863 -3.106 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.521 -2.183 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.662 -1.527 10.709 1.00 0.00 H new ATOM 601 N VAL A 40 -3.584 4.385 6.560 1.00 0.00 N ATOM 602 CA VAL A 40 -3.331 5.776 6.295 1.00 0.00 C ATOM 603 C VAL A 40 -3.018 6.485 7.590 1.00 0.00 C ATOM 604 O VAL A 40 -3.842 6.522 8.504 1.00 0.00 O ATOM 605 CB VAL A 40 -4.549 6.457 5.617 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.270 7.931 5.345 1.00 0.00 C ATOM 607 CG2 VAL A 40 -4.922 5.733 4.328 1.00 0.00 C ATOM 0 H VAL A 40 -4.481 4.194 7.006 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.483 5.842 5.614 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.394 6.395 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.140 8.384 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.063 8.442 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.407 8.022 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.778 6.226 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.077 5.757 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.178 4.698 4.553 1.00 0.00 H new ATOM 617 N SER A 41 -1.832 7.031 7.679 1.00 0.00 N ATOM 618 CA SER A 41 -1.429 7.738 8.858 1.00 0.00 C ATOM 619 C SER A 41 -1.599 9.236 8.648 1.00 0.00 C ATOM 620 O SER A 41 -0.752 9.890 8.043 1.00 0.00 O ATOM 621 CB SER A 41 0.019 7.394 9.201 1.00 0.00 C ATOM 622 OG SER A 41 0.172 5.996 9.409 1.00 0.00 O ATOM 0 H SER A 41 -1.128 6.997 6.942 1.00 0.00 H new ATOM 0 HA SER A 41 -2.060 7.437 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.675 7.720 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.323 7.935 10.097 1.00 0.00 H new ATOM 0 HG SER A 41 1.107 5.798 9.626 1.00 0.00 H new ATOM 628 N LEU A 42 -2.709 9.767 9.141 1.00 0.00 N ATOM 629 CA LEU A 42 -3.023 11.183 9.004 1.00 0.00 C ATOM 630 C LEU A 42 -1.977 12.029 9.714 1.00 0.00 C ATOM 631 O LEU A 42 -1.521 13.044 9.188 1.00 0.00 O ATOM 632 CB LEU A 42 -4.420 11.474 9.570 1.00 0.00 C ATOM 633 CG LEU A 42 -4.892 12.932 9.487 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.967 13.395 8.038 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.243 13.093 10.169 1.00 0.00 C ATOM 0 H LEU A 42 -3.415 9.231 9.645 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.015 11.441 7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.141 10.849 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.437 11.167 10.616 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.165 13.556 10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.304 14.431 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.981 13.319 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.670 12.767 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.563 14.133 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.977 12.454 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.158 12.807 11.217 1.00 0.00 H new ATOM 647 N GLU A 43 -1.584 11.581 10.897 1.00 0.00 N ATOM 648 CA GLU A 43 -0.606 12.289 11.709 1.00 0.00 C ATOM 649 C GLU A 43 0.735 12.372 10.973 1.00 0.00 C ATOM 650 O GLU A 43 1.404 13.409 10.980 1.00 0.00 O ATOM 651 CB GLU A 43 -0.412 11.546 13.032 1.00 0.00 C ATOM 652 CG GLU A 43 -1.649 11.518 13.915 1.00 0.00 C ATOM 653 CD GLU A 43 -2.147 12.894 14.278 1.00 0.00 C ATOM 654 OE1 GLU A 43 -1.396 13.658 14.918 1.00 0.00 O ATOM 655 OE2 GLU A 43 -3.292 13.219 13.931 1.00 0.00 O ATOM 0 H GLU A 43 -1.932 10.720 11.320 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.969 13.299 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.107 10.521 12.820 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.404 12.014 13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.442 10.975 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.424 10.967 14.828 1.00 0.00 H new ATOM 662 N GLN A 44 1.105 11.272 10.329 1.00 0.00 N ATOM 663 CA GLN A 44 2.357 11.186 9.587 1.00 0.00 C ATOM 664 C GLN A 44 2.273 11.930 8.253 1.00 0.00 C ATOM 665 O GLN A 44 3.267 12.470 7.771 1.00 0.00 O ATOM 666 CB GLN A 44 2.720 9.715 9.348 1.00 0.00 C ATOM 667 CG GLN A 44 4.076 9.496 8.687 1.00 0.00 C ATOM 668 CD GLN A 44 4.425 8.025 8.550 1.00 0.00 C ATOM 669 OE1 GLN A 44 4.016 7.200 9.369 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.180 7.686 7.521 1.00 0.00 N ATOM 0 H GLN A 44 0.548 10.418 10.306 1.00 0.00 H new ATOM 0 HA GLN A 44 3.135 11.662 10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.708 9.191 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.949 9.261 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.075 9.959 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.847 9.996 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.498 8.399 6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.445 6.711 7.382 1.00 0.00 H new ATOM 679 N GLY A 45 1.081 11.979 7.678 1.00 0.00 N ATOM 680 CA GLY A 45 0.910 12.605 6.377 1.00 0.00 C ATOM 681 C GLY A 45 1.325 11.665 5.264 1.00 0.00 C ATOM 682 O GLY A 45 1.505 12.072 4.117 1.00 0.00 O ATOM 0 H GLY A 45 0.227 11.598 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.132 12.895 6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.504 13.518 6.328 1.00 0.00 H new ATOM 686 N SER A 46 1.456 10.398 5.617 1.00 0.00 N ATOM 687 CA SER A 46 1.880 9.367 4.699 1.00 0.00 C ATOM 688 C SER A 46 1.153 8.073 5.043 1.00 0.00 C ATOM 689 O SER A 46 0.781 7.852 6.200 1.00 0.00 O ATOM 690 CB SER A 46 3.405 9.178 4.785 1.00 0.00 C ATOM 691 OG SER A 46 3.869 8.195 3.872 1.00 0.00 O ATOM 0 H SER A 46 1.268 10.057 6.560 1.00 0.00 H new ATOM 0 HA SER A 46 1.635 9.655 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.901 10.127 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.678 8.889 5.800 1.00 0.00 H new ATOM 0 HG SER A 46 4.841 8.105 3.955 1.00 0.00 H new ATOM 697 N ALA A 47 0.929 7.243 4.052 1.00 0.00 N ATOM 698 CA ALA A 47 0.199 6.012 4.240 1.00 0.00 C ATOM 699 C ALA A 47 0.990 4.827 3.727 1.00 0.00 C ATOM 700 O ALA A 47 1.803 4.960 2.812 1.00 0.00 O ATOM 701 CB ALA A 47 -1.139 6.093 3.523 1.00 0.00 C ATOM 0 H ALA A 47 1.246 7.401 3.096 1.00 0.00 H new ATOM 0 HA ALA A 47 0.031 5.872 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.686 5.162 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.719 6.922 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.972 6.254 2.458 1.00 0.00 H new ATOM 707 N THR A 48 0.758 3.676 4.320 1.00 0.00 N ATOM 708 CA THR A 48 1.403 2.467 3.893 1.00 0.00 C ATOM 709 C THR A 48 0.513 1.709 2.926 1.00 0.00 C ATOM 710 O THR A 48 -0.649 1.409 3.227 1.00 0.00 O ATOM 711 CB THR A 48 1.767 1.561 5.089 1.00 0.00 C ATOM 712 OG1 THR A 48 0.687 1.529 6.037 1.00 0.00 O ATOM 713 CG2 THR A 48 3.041 2.039 5.767 1.00 0.00 C ATOM 0 H THR A 48 0.120 3.559 5.107 1.00 0.00 H new ATOM 0 HA THR A 48 2.328 2.749 3.390 1.00 0.00 H new ATOM 0 HB THR A 48 1.938 0.553 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.929 0.950 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.275 1.383 6.606 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.863 2.020 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.900 3.057 6.130 1.00 0.00 H new ATOM 721 N VAL A 49 1.056 1.410 1.771 1.00 0.00 N ATOM 722 CA VAL A 49 0.341 0.684 0.752 1.00 0.00 C ATOM 723 C VAL A 49 0.870 -0.746 0.687 1.00 0.00 C ATOM 724 O VAL A 49 2.059 -0.977 0.442 1.00 0.00 O ATOM 725 CB VAL A 49 0.450 1.402 -0.637 1.00 0.00 C ATOM 726 CG1 VAL A 49 1.888 1.720 -0.984 1.00 0.00 C ATOM 727 CG2 VAL A 49 -0.184 0.576 -1.740 1.00 0.00 C ATOM 0 H VAL A 49 2.009 1.664 1.511 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.718 0.655 1.009 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.098 2.340 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.927 2.217 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.310 2.376 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.465 0.796 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.090 1.104 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.321 -0.388 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.239 0.418 -1.515 1.00 0.00 H new ATOM 737 N LYS A 50 -0.006 -1.695 0.950 1.00 0.00 N ATOM 738 CA LYS A 50 0.376 -3.088 1.004 1.00 0.00 C ATOM 739 C LYS A 50 -0.664 -3.945 0.272 1.00 0.00 C ATOM 740 O LYS A 50 -1.767 -4.198 0.775 1.00 0.00 O ATOM 741 CB LYS A 50 0.513 -3.460 2.489 1.00 0.00 C ATOM 742 CG LYS A 50 0.967 -4.864 2.820 1.00 0.00 C ATOM 743 CD LYS A 50 1.276 -4.938 4.314 1.00 0.00 C ATOM 744 CE LYS A 50 1.704 -6.318 4.765 1.00 0.00 C ATOM 745 NZ LYS A 50 0.571 -7.270 4.803 1.00 0.00 N ATOM 0 H LYS A 50 -0.995 -1.522 1.131 1.00 0.00 H new ATOM 0 HA LYS A 50 1.326 -3.269 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.215 -2.763 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.453 -3.298 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.191 -5.584 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.851 -5.123 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.065 -4.224 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.393 -4.636 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.472 -6.697 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.154 -6.251 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.507 -7.695 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.313 -6.766 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.723 -8.018 4.097 1.00 0.00 H new ATOM 759 N TYR A 51 -0.296 -4.378 -0.922 1.00 0.00 N ATOM 760 CA TYR A 51 -1.173 -5.142 -1.804 1.00 0.00 C ATOM 761 C TYR A 51 -0.401 -6.252 -2.479 1.00 0.00 C ATOM 762 O TYR A 51 0.831 -6.236 -2.484 1.00 0.00 O ATOM 763 CB TYR A 51 -1.817 -4.223 -2.862 1.00 0.00 C ATOM 764 CG TYR A 51 -2.785 -3.211 -2.287 1.00 0.00 C ATOM 765 CD1 TYR A 51 -2.341 -2.014 -1.749 1.00 0.00 C ATOM 766 CD2 TYR A 51 -4.144 -3.461 -2.279 1.00 0.00 C ATOM 767 CE1 TYR A 51 -3.227 -1.100 -1.213 1.00 0.00 C ATOM 768 CE2 TYR A 51 -5.034 -2.550 -1.750 1.00 0.00 C ATOM 769 CZ TYR A 51 -4.569 -1.374 -1.217 1.00 0.00 C ATOM 770 OH TYR A 51 -5.449 -0.470 -0.682 1.00 0.00 O ATOM 0 H TYR A 51 0.630 -4.209 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.967 -5.582 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.029 -3.694 -3.398 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.341 -4.838 -3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.284 -1.792 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.516 -4.386 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.863 -0.174 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.093 -2.761 -1.755 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.957 0.314 -0.360 1.00 0.00 H new ATOM 780 N VAL A 52 -1.115 -7.227 -3.025 1.00 0.00 N ATOM 781 CA VAL A 52 -0.470 -8.331 -3.711 1.00 0.00 C ATOM 782 C VAL A 52 0.036 -7.859 -5.074 1.00 0.00 C ATOM 783 O VAL A 52 -0.763 -7.537 -5.956 1.00 0.00 O ATOM 784 CB VAL A 52 -1.449 -9.515 -3.925 1.00 0.00 C ATOM 785 CG1 VAL A 52 -0.746 -10.679 -4.597 1.00 0.00 C ATOM 786 CG2 VAL A 52 -2.069 -9.957 -2.610 1.00 0.00 C ATOM 0 H VAL A 52 -2.134 -7.274 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 52 0.359 -8.672 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.250 -9.171 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.451 -11.498 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.361 -10.361 -5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.081 -11.015 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.751 -10.788 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.282 -10.275 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.619 -9.126 -2.169 1.00 0.00 H new ATOM 796 N PRO A 53 1.372 -7.850 -5.278 1.00 0.00 N ATOM 797 CA PRO A 53 1.992 -7.372 -6.527 1.00 0.00 C ATOM 798 C PRO A 53 1.631 -8.242 -7.721 1.00 0.00 C ATOM 799 O PRO A 53 1.763 -7.826 -8.875 1.00 0.00 O ATOM 800 CB PRO A 53 3.497 -7.450 -6.238 1.00 0.00 C ATOM 801 CG PRO A 53 3.618 -8.454 -5.147 1.00 0.00 C ATOM 802 CD PRO A 53 2.387 -8.292 -4.305 1.00 0.00 C ATOM 0 HA PRO A 53 1.651 -6.371 -6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.055 -7.757 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.893 -6.482 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.686 -9.464 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.520 -8.285 -4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.103 -9.227 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.534 -7.557 -3.514 1.00 0.00 H new ATOM 810 N SER A 54 1.175 -9.449 -7.438 1.00 0.00 N ATOM 811 CA SER A 54 0.781 -10.381 -8.467 1.00 0.00 C ATOM 812 C SER A 54 -0.382 -9.817 -9.291 1.00 0.00 C ATOM 813 O SER A 54 -0.420 -9.971 -10.507 1.00 0.00 O ATOM 814 CB SER A 54 0.382 -11.717 -7.838 1.00 0.00 C ATOM 815 OG SER A 54 1.474 -12.292 -7.130 1.00 0.00 O ATOM 0 H SER A 54 1.069 -9.806 -6.488 1.00 0.00 H new ATOM 0 HA SER A 54 1.629 -10.540 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.458 -11.567 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.046 -12.403 -8.615 1.00 0.00 H new ATOM 0 HG SER A 54 1.195 -13.144 -6.735 1.00 0.00 H new ATOM 821 N VAL A 55 -1.321 -9.153 -8.623 1.00 0.00 N ATOM 822 CA VAL A 55 -2.485 -8.605 -9.311 1.00 0.00 C ATOM 823 C VAL A 55 -2.554 -7.072 -9.236 1.00 0.00 C ATOM 824 O VAL A 55 -3.137 -6.433 -10.108 1.00 0.00 O ATOM 825 CB VAL A 55 -3.803 -9.213 -8.774 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.895 -10.683 -9.145 1.00 0.00 C ATOM 827 CG2 VAL A 55 -3.897 -9.049 -7.262 1.00 0.00 C ATOM 0 H VAL A 55 -1.300 -8.983 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.366 -8.882 -10.358 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.636 -8.679 -9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.827 -11.098 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.872 -10.787 -10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.052 -11.221 -8.711 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.831 -9.483 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.057 -9.557 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.870 -7.989 -7.009 1.00 0.00 H new ATOM 837 N VAL A 56 -1.955 -6.488 -8.210 1.00 0.00 N ATOM 838 CA VAL A 56 -1.972 -5.038 -8.046 1.00 0.00 C ATOM 839 C VAL A 56 -0.561 -4.499 -7.865 1.00 0.00 C ATOM 840 O VAL A 56 0.195 -4.991 -7.038 1.00 0.00 O ATOM 841 CB VAL A 56 -2.842 -4.602 -6.833 1.00 0.00 C ATOM 842 CG1 VAL A 56 -2.811 -3.090 -6.657 1.00 0.00 C ATOM 843 CG2 VAL A 56 -4.275 -5.080 -6.999 1.00 0.00 C ATOM 0 H VAL A 56 -1.452 -6.991 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.410 -4.624 -8.954 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.422 -5.062 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.427 -2.810 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.785 -2.765 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.199 -2.611 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.866 -4.764 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.698 -4.652 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.290 -6.168 -7.070 1.00 0.00 H new ATOM 853 N CYS A 57 -0.207 -3.500 -8.646 1.00 0.00 N ATOM 854 CA CYS A 57 1.102 -2.889 -8.530 1.00 0.00 C ATOM 855 C CYS A 57 0.987 -1.520 -7.859 1.00 0.00 C ATOM 856 O CYS A 57 -0.100 -0.930 -7.817 1.00 0.00 O ATOM 857 CB CYS A 57 1.769 -2.778 -9.905 1.00 0.00 C ATOM 858 SG CYS A 57 0.827 -1.831 -11.120 1.00 0.00 S ATOM 0 H CYS A 57 -0.805 -3.094 -9.366 1.00 0.00 H new ATOM 0 HA CYS A 57 1.732 -3.522 -7.905 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.749 -2.316 -9.783 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.936 -3.782 -10.296 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.232 -2.501 -11.466 1.00 0.00 H new ATOM 864 N LEU A 58 2.103 -1.019 -7.350 1.00 0.00 N ATOM 865 CA LEU A 58 2.131 0.253 -6.626 1.00 0.00 C ATOM 866 C LEU A 58 1.716 1.418 -7.526 1.00 0.00 C ATOM 867 O LEU A 58 0.979 2.314 -7.102 1.00 0.00 O ATOM 868 CB LEU A 58 3.532 0.496 -6.064 1.00 0.00 C ATOM 869 CG LEU A 58 3.994 -0.491 -4.988 1.00 0.00 C ATOM 870 CD1 LEU A 58 5.441 -0.231 -4.610 1.00 0.00 C ATOM 871 CD2 LEU A 58 3.096 -0.413 -3.763 1.00 0.00 C ATOM 0 H LEU A 58 3.012 -1.476 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 58 1.414 0.194 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.245 0.467 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.567 1.503 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 58 3.923 -1.499 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.751 -0.942 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.073 -0.347 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.540 0.783 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.443 -1.123 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.129 0.596 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.072 -0.656 -4.046 1.00 0.00 H new ATOM 883 N GLN A 59 2.175 1.389 -8.769 1.00 0.00 N ATOM 884 CA GLN A 59 1.839 2.424 -9.740 1.00 0.00 C ATOM 885 C GLN A 59 0.349 2.448 -10.026 1.00 0.00 C ATOM 886 O GLN A 59 -0.241 3.512 -10.202 1.00 0.00 O ATOM 887 CB GLN A 59 2.630 2.239 -11.031 1.00 0.00 C ATOM 888 CG GLN A 59 4.112 2.517 -10.874 1.00 0.00 C ATOM 889 CD GLN A 59 4.386 3.951 -10.468 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.652 4.867 -10.841 1.00 0.00 O ATOM 891 NE2 GLN A 59 5.431 4.157 -9.704 1.00 0.00 N ATOM 0 H GLN A 59 2.785 0.656 -9.132 1.00 0.00 H new ATOM 0 HA GLN A 59 2.114 3.385 -9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.495 1.218 -11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.223 2.900 -11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.529 1.843 -10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.621 2.304 -11.814 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.015 3.372 -9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.660 5.102 -9.397 1.00 0.00 H new ATOM 900 N GLN A 60 -0.252 1.271 -10.067 1.00 0.00 N ATOM 901 CA GLN A 60 -1.674 1.143 -10.337 1.00 0.00 C ATOM 902 C GLN A 60 -2.482 1.888 -9.280 1.00 0.00 C ATOM 903 O GLN A 60 -3.376 2.644 -9.612 1.00 0.00 O ATOM 904 CB GLN A 60 -2.053 -0.334 -10.350 1.00 0.00 C ATOM 905 CG GLN A 60 -3.498 -0.628 -10.696 1.00 0.00 C ATOM 906 CD GLN A 60 -3.777 -2.118 -10.708 1.00 0.00 C ATOM 907 OE1 GLN A 60 -2.877 -2.929 -10.964 1.00 0.00 O ATOM 908 NE2 GLN A 60 -5.010 -2.493 -10.438 1.00 0.00 N ATOM 0 H GLN A 60 0.227 0.384 -9.915 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.898 1.581 -11.310 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.413 -0.850 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.839 -0.756 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.152 -0.141 -9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.732 -0.206 -11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.723 -1.793 -10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.253 -3.484 -10.435 1.00 0.00 H new ATOM 917 N VAL A 61 -2.114 1.695 -8.009 1.00 0.00 N ATOM 918 CA VAL A 61 -2.785 2.369 -6.879 1.00 0.00 C ATOM 919 C VAL A 61 -2.599 3.889 -6.979 1.00 0.00 C ATOM 920 O VAL A 61 -3.541 4.683 -6.765 1.00 0.00 O ATOM 921 CB VAL A 61 -2.230 1.868 -5.518 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.794 2.683 -4.358 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.533 0.389 -5.330 1.00 0.00 C ATOM 0 H VAL A 61 -1.353 1.076 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.847 2.128 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.148 2.003 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.387 2.309 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.518 3.730 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.880 2.593 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.137 0.055 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.612 0.233 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.068 -0.183 -6.133 1.00 0.00 H new ATOM 933 N CYS A 62 -1.383 4.281 -7.325 1.00 0.00 N ATOM 934 CA CYS A 62 -1.028 5.673 -7.495 1.00 0.00 C ATOM 935 C CYS A 62 -1.913 6.316 -8.558 1.00 0.00 C ATOM 936 O CYS A 62 -2.269 7.493 -8.459 1.00 0.00 O ATOM 937 CB CYS A 62 0.451 5.803 -7.877 1.00 0.00 C ATOM 938 SG CYS A 62 1.041 7.506 -7.988 1.00 0.00 S ATOM 0 H CYS A 62 -0.613 3.635 -7.496 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.187 6.193 -6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.053 5.269 -7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.611 5.312 -8.837 1.00 0.00 H new ATOM 0 HG CYS A 62 2.300 7.509 -8.314 1.00 0.00 H new ATOM 944 N HIS A 63 -2.254 5.541 -9.579 1.00 0.00 N ATOM 945 CA HIS A 63 -3.080 6.034 -10.665 1.00 0.00 C ATOM 946 C HIS A 63 -4.450 6.504 -10.180 1.00 0.00 C ATOM 947 O HIS A 63 -4.891 7.583 -10.575 1.00 0.00 O ATOM 948 CB HIS A 63 -3.266 4.961 -11.741 1.00 0.00 C ATOM 949 CG HIS A 63 -2.053 4.696 -12.572 1.00 0.00 C ATOM 950 ND1 HIS A 63 -1.888 3.541 -13.306 1.00 0.00 N ATOM 951 CD2 HIS A 63 -0.957 5.453 -12.816 1.00 0.00 C ATOM 952 CE1 HIS A 63 -0.742 3.599 -13.961 1.00 0.00 C ATOM 953 NE2 HIS A 63 -0.162 4.747 -13.681 1.00 0.00 N ATOM 0 H HIS A 63 -1.969 4.566 -9.675 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.555 6.890 -11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.571 4.032 -11.260 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.082 5.262 -12.398 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.748 6.430 -12.406 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.348 2.835 -14.615 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.736 5.061 -14.049 1.00 0.00 H new ATOM 961 N GLN A 64 -5.105 5.725 -9.288 1.00 0.00 N ATOM 962 CA GLN A 64 -6.455 6.096 -8.823 1.00 0.00 C ATOM 963 C GLN A 64 -6.453 7.408 -8.074 1.00 0.00 C ATOM 964 O GLN A 64 -7.337 8.236 -8.268 1.00 0.00 O ATOM 965 CB GLN A 64 -7.126 5.010 -7.953 1.00 0.00 C ATOM 966 CG GLN A 64 -7.536 3.756 -8.710 1.00 0.00 C ATOM 967 CD GLN A 64 -6.399 2.799 -8.911 1.00 0.00 C ATOM 968 OE1 GLN A 64 -5.534 2.675 -8.060 1.00 0.00 O ATOM 969 NE2 GLN A 64 -6.389 2.120 -10.038 1.00 0.00 N ATOM 0 H GLN A 64 -4.733 4.863 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.045 6.201 -9.733 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.440 4.728 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.009 5.437 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.335 3.254 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.942 4.040 -9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.134 2.256 -10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.637 1.458 -10.228 1.00 0.00 H new ATOM 978 N ILE A 65 -5.465 7.615 -7.218 1.00 0.00 N ATOM 979 CA ILE A 65 -5.412 8.864 -6.476 1.00 0.00 C ATOM 980 C ILE A 65 -5.036 10.031 -7.390 1.00 0.00 C ATOM 981 O ILE A 65 -5.587 11.131 -7.272 1.00 0.00 O ATOM 982 CB ILE A 65 -4.471 8.790 -5.235 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.575 10.075 -4.405 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.028 8.520 -5.640 1.00 0.00 C ATOM 985 CD1 ILE A 65 -3.858 10.003 -3.074 1.00 0.00 C ATOM 0 H ILE A 65 -4.710 6.957 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.416 9.041 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.798 7.952 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.166 10.904 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.627 10.298 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.402 8.475 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.971 7.570 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.677 9.321 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.977 10.949 -2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.282 9.197 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.798 9.812 -3.242 1.00 0.00 H new ATOM 997 N GLY A 66 -4.133 9.767 -8.325 1.00 0.00 N ATOM 998 CA GLY A 66 -3.693 10.788 -9.248 1.00 0.00 C ATOM 999 C GLY A 66 -4.805 11.307 -10.149 1.00 0.00 C ATOM 1000 O GLY A 66 -4.887 12.512 -10.404 1.00 0.00 O ATOM 0 H GLY A 66 -3.696 8.855 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.274 11.621 -8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.891 10.386 -9.867 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.682 10.411 -10.628 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.753 10.839 -11.541 1.00 0.00 C ATOM 1006 C ASP A 67 -7.918 11.466 -10.783 1.00 0.00 C ATOM 1007 O ASP A 67 -8.846 12.009 -11.388 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.251 9.693 -12.445 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.065 8.632 -11.722 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -9.279 8.839 -11.521 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -7.514 7.574 -11.400 1.00 0.00 O ATOM 0 H ASP A 67 -5.674 9.415 -10.407 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.315 11.598 -12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.857 10.116 -13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.390 9.216 -12.914 1.00 0.00 H new ATOM 1016 N MET A 68 -7.853 11.419 -9.461 1.00 0.00 N ATOM 1017 CA MET A 68 -8.868 12.048 -8.620 1.00 0.00 C ATOM 1018 C MET A 68 -8.564 13.524 -8.436 1.00 0.00 C ATOM 1019 O MET A 68 -9.328 14.255 -7.810 1.00 0.00 O ATOM 1020 CB MET A 68 -8.976 11.356 -7.255 1.00 0.00 C ATOM 1021 CG MET A 68 -9.636 9.990 -7.303 1.00 0.00 C ATOM 1022 SD MET A 68 -11.367 10.079 -7.807 1.00 0.00 S ATOM 1023 CE MET A 68 -11.819 8.348 -7.783 1.00 0.00 C ATOM 0 H MET A 68 -7.108 10.952 -8.944 1.00 0.00 H new ATOM 0 HA MET A 68 -9.828 11.943 -9.126 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.976 11.250 -6.833 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.541 11.997 -6.578 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.091 9.350 -7.997 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.570 9.523 -6.320 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.882 8.246 -8.004 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.239 7.810 -8.533 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.612 7.931 -6.797 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.440 13.955 -8.991 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.046 15.341 -8.889 1.00 0.00 C ATOM 1035 C GLY A 69 -6.147 15.594 -7.706 1.00 0.00 C ATOM 1036 O GLY A 69 -5.835 16.740 -7.386 1.00 0.00 O ATOM 0 H GLY A 69 -6.792 13.364 -9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.532 15.639 -9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.936 15.964 -8.806 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.726 14.530 -7.058 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.862 14.643 -5.911 1.00 0.00 C ATOM 1042 C PHE A 70 -3.498 14.060 -6.221 1.00 0.00 C ATOM 1043 O PHE A 70 -3.382 13.069 -6.937 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.492 13.978 -4.688 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.773 14.638 -4.257 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.746 15.757 -3.447 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -8.001 14.142 -4.668 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.916 16.373 -3.048 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.175 14.752 -4.273 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.133 15.869 -3.462 1.00 0.00 C ATOM 0 H PHE A 70 -5.972 13.573 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.730 15.699 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.687 12.929 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.781 14.001 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.797 16.156 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.039 13.270 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.879 17.246 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.126 14.356 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.050 16.347 -3.152 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.475 14.689 -5.693 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.108 14.301 -5.972 1.00 0.00 C ATOM 1062 C GLU A 71 -0.531 13.487 -4.831 1.00 0.00 C ATOM 1063 O GLU A 71 -0.891 13.684 -3.667 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.274 15.551 -6.216 1.00 0.00 C ATOM 1065 CG GLU A 71 -0.757 16.355 -7.409 1.00 0.00 C ATOM 1066 CD GLU A 71 -0.047 17.673 -7.559 1.00 0.00 C ATOM 1067 OE1 GLU A 71 1.195 17.694 -7.560 1.00 0.00 O ATOM 1068 OE2 GLU A 71 -0.737 18.706 -7.675 1.00 0.00 O ATOM 0 H GLU A 71 -2.564 15.483 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.090 13.674 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.300 16.179 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.766 15.264 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.616 15.768 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.827 16.535 -7.309 1.00 0.00 H new ATOM 1075 N ALA A 72 0.352 12.570 -5.164 1.00 0.00 N ATOM 1076 CA ALA A 72 0.958 11.711 -4.176 1.00 0.00 C ATOM 1077 C ALA A 72 2.379 11.342 -4.569 1.00 0.00 C ATOM 1078 O ALA A 72 2.714 11.298 -5.751 1.00 0.00 O ATOM 1079 CB ALA A 72 0.118 10.454 -4.001 1.00 0.00 C ATOM 0 H ALA A 72 0.666 12.402 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 72 1.000 12.251 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.580 9.809 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.884 10.729 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.056 9.923 -4.951 1.00 0.00 H new ATOM 1085 N SER A 73 3.207 11.089 -3.579 1.00 0.00 N ATOM 1086 CA SER A 73 4.573 10.650 -3.816 1.00 0.00 C ATOM 1087 C SER A 73 4.798 9.337 -3.105 1.00 0.00 C ATOM 1088 O SER A 73 4.328 9.149 -1.984 1.00 0.00 O ATOM 1089 CB SER A 73 5.579 11.692 -3.335 1.00 0.00 C ATOM 1090 OG SER A 73 5.414 12.919 -4.023 1.00 0.00 O ATOM 0 H SER A 73 2.959 11.179 -2.594 1.00 0.00 H new ATOM 0 HA SER A 73 4.721 10.520 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.456 11.853 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.592 11.320 -3.487 1.00 0.00 H new ATOM 0 HG SER A 73 6.070 13.569 -3.694 1.00 0.00 H new ATOM 1096 N ILE A 74 5.530 8.449 -3.730 1.00 0.00 N ATOM 1097 CA ILE A 74 5.720 7.126 -3.194 1.00 0.00 C ATOM 1098 C ILE A 74 7.192 6.862 -2.872 1.00 0.00 C ATOM 1099 O ILE A 74 8.090 7.296 -3.596 1.00 0.00 O ATOM 1100 CB ILE A 74 5.171 6.056 -4.182 1.00 0.00 C ATOM 1101 CG1 ILE A 74 5.222 4.661 -3.564 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.931 6.090 -5.507 1.00 0.00 C ATOM 1103 CD1 ILE A 74 4.499 3.610 -4.378 1.00 0.00 C ATOM 0 H ILE A 74 6.006 8.621 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 74 5.161 7.057 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 74 4.128 6.297 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.264 4.363 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.786 4.699 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.527 5.332 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.823 7.074 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.987 5.888 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.578 2.645 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.448 3.884 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.950 3.543 -5.368 1.00 0.00 H new ATOM 1115 N ALA A 75 7.421 6.174 -1.768 1.00 0.00 N ATOM 1116 CA ALA A 75 8.757 5.835 -1.315 1.00 0.00 C ATOM 1117 C ALA A 75 8.776 4.400 -0.810 1.00 0.00 C ATOM 1118 O ALA A 75 7.740 3.886 -0.382 1.00 0.00 O ATOM 1119 CB ALA A 75 9.204 6.795 -0.223 1.00 0.00 C ATOM 0 H ALA A 75 6.679 5.833 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 75 9.452 5.924 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.208 6.528 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.208 7.813 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.516 6.732 0.620 1.00 0.00 H new ATOM 1125 N GLU A 76 9.957 3.772 -0.853 1.00 0.00 N ATOM 1126 CA GLU A 76 10.142 2.355 -0.491 1.00 0.00 C ATOM 1127 C GLU A 76 9.663 1.462 -1.628 1.00 0.00 C ATOM 1128 O GLU A 76 8.455 1.194 -1.716 1.00 0.00 O ATOM 1129 CB GLU A 76 9.450 1.977 0.847 1.00 0.00 C ATOM 1130 CG GLU A 76 9.576 0.495 1.212 1.00 0.00 C ATOM 1131 CD GLU A 76 8.946 0.149 2.550 1.00 0.00 C ATOM 1132 OE1 GLU A 76 9.599 0.363 3.590 1.00 0.00 O ATOM 1133 OE2 GLU A 76 7.803 -0.360 2.572 1.00 0.00 O ATOM 1134 OXT GLU A 76 10.501 1.059 -2.456 1.00 0.00 O ATOM 0 H GLU A 76 10.820 4.233 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 76 11.209 2.197 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.880 2.577 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.393 2.238 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.107 -0.105 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.631 0.222 1.234 1.00 0.00 H new