USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 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 64 ASN : amide:sc= 1.81 K(o=2.6,f=-0.89) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -154:sc= 0.819 (180deg=0) USER MOD Set 2.1: A 45 SER OG : rot 80:sc= 1.86 USER MOD Set 2.2: A 58 THR OG1 : rot 100:sc= 0.91 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.373 K(o=-0.38,f=-9.6!) USER MOD Set 3.2: A 56 HIS : no HD1:sc=-0.00536 K(o=-0.38,f=-0.9) USER MOD Single : A 1 ALA N :NH3+ -169:sc= 0 (180deg=-0.101) USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.65 USER MOD Single : A 12 GLN : amide:sc= 2.84 K(o=2.8,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= 0.353 USER MOD Single : A 22 SER OG : rot -173:sc= 1.15 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0.621 (180deg=0.569) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.0484 USER MOD Single : A 36 THR OG1 : rot 79:sc= 1.35 USER MOD Single : A 37 SER OG : rot 180:sc= 0.177 USER MOD Single : A 46 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-5.1!) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00708) USER MOD Single : A 51 SER OG : rot 180:sc= 0.122 USER MOD Single : A 53 GLN : amide:sc= 0.263 K(o=0.26,f=-1.6) USER MOD Single : A 55 MET CE :methyl -170:sc= -0.286 (180deg=-0.482) USER MOD Single : A 57 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-6!) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.32 F(o=-2.4!,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.346 USER MOD Single : A 71 SER OG : rot 180:sc= -0.172 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.037) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc=-0.00841 (180deg=-0.0785) USER MOD Single : A 76 LYS NZ :NH3+ -142:sc= 0.912 (180deg=-0.0575) USER MOD Single : A 79 SER OG : rot 180:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.258 2.314 -10.757 1.00 0.00 N ATOM 2 CA ALA A 1 17.701 3.573 -10.284 1.00 0.00 C ATOM 3 C ALA A 1 17.288 3.460 -8.815 1.00 0.00 C ATOM 4 O ALA A 1 17.549 4.367 -8.026 1.00 0.00 O ATOM 5 CB ALA A 1 16.504 3.961 -11.157 1.00 0.00 C ATOM 0 H1 ALA A 1 18.701 2.458 -11.687 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.973 1.975 -10.082 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.499 1.608 -10.841 1.00 0.00 H new ATOM 0 HA ALA A 1 18.461 4.351 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.086 4.904 -10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.829 4.073 -12.191 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.743 3.182 -11.098 1.00 0.00 H new ATOM 12 N VAL A 2 16.641 2.344 -8.461 1.00 0.00 N ATOM 13 CA VAL A 2 16.131 2.018 -7.132 1.00 0.00 C ATOM 14 C VAL A 2 14.972 2.944 -6.755 1.00 0.00 C ATOM 15 O VAL A 2 13.834 2.488 -6.659 1.00 0.00 O ATOM 16 CB VAL A 2 17.250 1.990 -6.068 1.00 0.00 C ATOM 17 CG1 VAL A 2 16.699 1.584 -4.693 1.00 0.00 C ATOM 18 CG2 VAL A 2 18.351 0.998 -6.468 1.00 0.00 C ATOM 0 H VAL A 2 16.450 1.604 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 2 15.734 1.003 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 2 17.663 2.997 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.510 1.573 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.939 2.300 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.256 0.590 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.130 0.993 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.925 -0.001 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.781 1.297 -7.424 1.00 0.00 H new ATOM 28 N ILE A 3 15.265 4.231 -6.548 1.00 0.00 N ATOM 29 CA ILE A 3 14.308 5.261 -6.170 1.00 0.00 C ATOM 30 C ILE A 3 13.054 5.146 -7.043 1.00 0.00 C ATOM 31 O ILE A 3 13.147 4.995 -8.262 1.00 0.00 O ATOM 32 CB ILE A 3 14.972 6.652 -6.255 1.00 0.00 C ATOM 33 CG1 ILE A 3 16.146 6.733 -5.257 1.00 0.00 C ATOM 34 CG2 ILE A 3 13.956 7.770 -5.971 1.00 0.00 C ATOM 35 CD1 ILE A 3 16.939 8.040 -5.356 1.00 0.00 C ATOM 0 H ILE A 3 16.214 4.592 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 3 13.993 5.122 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 3 15.349 6.791 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.760 6.627 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.820 5.894 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 3 14.452 8.738 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 3 13.150 7.724 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.544 7.642 -4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.749 8.030 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 3 17.355 8.138 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.278 8.883 -5.153 1.00 0.00 H new ATOM 47 N THR A 4 11.880 5.189 -6.409 1.00 0.00 N ATOM 48 CA THR A 4 10.573 5.053 -7.043 1.00 0.00 C ATOM 49 C THR A 4 10.439 3.755 -7.858 1.00 0.00 C ATOM 50 O THR A 4 9.630 3.693 -8.780 1.00 0.00 O ATOM 51 CB THR A 4 10.191 6.332 -7.819 1.00 0.00 C ATOM 52 OG1 THR A 4 11.238 6.833 -8.626 1.00 0.00 O ATOM 53 CG2 THR A 4 9.802 7.439 -6.835 1.00 0.00 C ATOM 0 H THR A 4 11.815 5.325 -5.400 1.00 0.00 H new ATOM 0 HA THR A 4 9.830 4.950 -6.252 1.00 0.00 H new ATOM 0 HB THR A 4 9.362 6.051 -8.468 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.841 6.101 -8.871 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.533 8.339 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.951 7.112 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.645 7.655 -6.178 1.00 0.00 H new ATOM 61 N GLY A 5 11.184 2.704 -7.493 1.00 0.00 N ATOM 62 CA GLY A 5 11.128 1.405 -8.145 1.00 0.00 C ATOM 63 C GLY A 5 11.315 0.296 -7.111 1.00 0.00 C ATOM 64 O GLY A 5 10.338 -0.283 -6.641 1.00 0.00 O ATOM 0 H GLY A 5 11.851 2.741 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.171 1.284 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.904 1.337 -8.908 1.00 0.00 H new ATOM 68 N ALA A 6 12.567 0.003 -6.754 1.00 0.00 N ATOM 69 CA ALA A 6 12.909 -0.998 -5.752 1.00 0.00 C ATOM 70 C ALA A 6 12.963 -0.301 -4.397 1.00 0.00 C ATOM 71 O ALA A 6 13.308 0.877 -4.324 1.00 0.00 O ATOM 72 CB ALA A 6 14.239 -1.671 -6.099 1.00 0.00 C ATOM 0 H ALA A 6 13.381 0.463 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 6 12.158 -1.788 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.479 -2.416 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.158 -2.157 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.029 -0.920 -6.133 1.00 0.00 H new ATOM 78 N CYS A 7 12.602 -1.007 -3.326 1.00 0.00 N ATOM 79 CA CYS A 7 12.508 -0.405 -2.009 1.00 0.00 C ATOM 80 C CYS A 7 13.017 -1.304 -0.882 1.00 0.00 C ATOM 81 O CYS A 7 12.832 -2.520 -0.897 1.00 0.00 O ATOM 82 CB CYS A 7 11.036 -0.065 -1.748 1.00 0.00 C ATOM 83 SG CYS A 7 10.671 0.114 0.005 1.00 0.00 S ATOM 0 H CYS A 7 12.370 -2.000 -3.352 1.00 0.00 H new ATOM 0 HA CYS A 7 13.145 0.480 -2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 7 10.783 0.861 -2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.405 -0.848 -2.169 1.00 0.00 H new ATOM 88 N GLU A 8 13.620 -0.648 0.113 1.00 0.00 N ATOM 89 CA GLU A 8 13.922 -1.177 1.429 1.00 0.00 C ATOM 90 C GLU A 8 12.920 -0.506 2.393 1.00 0.00 C ATOM 91 O GLU A 8 12.377 -1.187 3.259 1.00 0.00 O ATOM 92 CB GLU A 8 15.396 -0.972 1.803 1.00 0.00 C ATOM 93 CG GLU A 8 16.350 -1.793 0.917 1.00 0.00 C ATOM 94 CD GLU A 8 16.458 -1.275 -0.515 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.983 -0.152 -0.674 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.023 -2.008 -1.429 1.00 0.00 O ATOM 0 H GLU A 8 13.924 0.320 0.007 1.00 0.00 H new ATOM 0 HA GLU A 8 13.802 -2.259 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.645 0.086 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.545 -1.250 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.342 -1.793 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.010 -2.828 0.895 1.00 0.00 H new ATOM 103 N ARG A 9 12.627 0.800 2.231 1.00 0.00 N ATOM 104 CA ARG A 9 11.546 1.492 2.945 1.00 0.00 C ATOM 105 C ARG A 9 10.992 2.705 2.171 1.00 0.00 C ATOM 106 O ARG A 9 11.671 3.265 1.307 1.00 0.00 O ATOM 107 CB ARG A 9 11.912 1.848 4.393 1.00 0.00 C ATOM 108 CG ARG A 9 13.146 2.744 4.597 1.00 0.00 C ATOM 109 CD ARG A 9 14.506 2.099 4.296 1.00 0.00 C ATOM 110 NE ARG A 9 14.642 0.779 4.930 1.00 0.00 N ATOM 111 CZ ARG A 9 15.787 0.097 5.061 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.940 0.616 4.624 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.765 -1.119 5.616 1.00 0.00 N ATOM 0 H ARG A 9 13.142 1.406 1.593 1.00 0.00 H new ATOM 0 HA ARG A 9 10.733 0.768 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.054 2.343 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.072 0.919 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.038 3.626 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.152 3.090 5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.628 1.998 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.303 2.754 4.647 1.00 0.00 H new ATOM 0 HE ARG A 9 13.795 0.348 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.951 1.538 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.808 0.090 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.882 -1.518 5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.631 -1.648 5.721 1.00 0.00 H new ATOM 127 N ASP A 10 9.753 3.100 2.521 1.00 0.00 N ATOM 128 CA ASP A 10 8.927 4.178 1.948 1.00 0.00 C ATOM 129 C ASP A 10 9.694 5.412 1.476 1.00 0.00 C ATOM 130 O ASP A 10 9.314 6.024 0.477 1.00 0.00 O ATOM 131 CB ASP A 10 7.903 4.670 2.983 1.00 0.00 C ATOM 132 CG ASP A 10 6.540 3.996 2.976 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.362 2.882 2.441 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.640 4.612 3.582 1.00 0.00 O ATOM 0 H ASP A 10 9.261 2.630 3.281 1.00 0.00 H new ATOM 0 HA ASP A 10 8.467 3.718 1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.337 4.547 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.754 5.739 2.831 1.00 0.00 H new ATOM 139 N LEU A 11 10.712 5.824 2.233 1.00 0.00 N ATOM 140 CA LEU A 11 11.535 6.992 1.939 1.00 0.00 C ATOM 141 C LEU A 11 12.008 6.999 0.481 1.00 0.00 C ATOM 142 O LEU A 11 12.090 8.053 -0.143 1.00 0.00 O ATOM 143 CB LEU A 11 12.746 7.022 2.884 1.00 0.00 C ATOM 144 CG LEU A 11 12.386 7.143 4.376 1.00 0.00 C ATOM 145 CD1 LEU A 11 13.657 6.950 5.212 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.774 8.510 4.706 1.00 0.00 C ATOM 0 H LEU A 11 10.992 5.342 3.087 1.00 0.00 H new ATOM 0 HA LEU A 11 10.925 7.882 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.329 6.113 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.386 7.860 2.608 1.00 0.00 H new ATOM 0 HG LEU A 11 11.646 6.377 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.412 7.034 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.077 5.964 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.387 7.715 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.534 8.554 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.488 9.297 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.864 8.652 4.123 1.00 0.00 H new ATOM 158 N GLN A 12 12.315 5.819 -0.061 1.00 0.00 N ATOM 159 CA GLN A 12 12.810 5.649 -1.419 1.00 0.00 C ATOM 160 C GLN A 12 11.709 5.797 -2.476 1.00 0.00 C ATOM 161 O GLN A 12 12.007 5.831 -3.668 1.00 0.00 O ATOM 162 CB GLN A 12 13.454 4.264 -1.503 1.00 0.00 C ATOM 163 CG GLN A 12 14.517 4.113 -0.408 1.00 0.00 C ATOM 164 CD GLN A 12 15.052 2.697 -0.364 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.593 1.901 0.450 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.005 2.366 -1.226 1.00 0.00 N ATOM 0 H GLN A 12 12.223 4.939 0.447 1.00 0.00 H new ATOM 0 HA GLN A 12 13.534 6.435 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.692 3.492 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.908 4.124 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.335 4.809 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.088 4.374 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.359 3.059 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.384 1.419 -1.228 1.00 0.00 H new ATOM 175 N CYS A 13 10.448 5.852 -2.047 1.00 0.00 N ATOM 176 CA CYS A 13 9.267 5.955 -2.887 1.00 0.00 C ATOM 177 C CYS A 13 8.754 7.393 -2.787 1.00 0.00 C ATOM 178 O CYS A 13 8.834 8.153 -3.749 1.00 0.00 O ATOM 179 CB CYS A 13 8.250 4.894 -2.434 1.00 0.00 C ATOM 180 SG CYS A 13 8.896 3.209 -2.335 1.00 0.00 S ATOM 0 H CYS A 13 10.217 5.824 -1.054 1.00 0.00 H new ATOM 0 HA CYS A 13 9.473 5.754 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.864 5.177 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.406 4.903 -3.124 1.00 0.00 H new ATOM 185 N GLY A 14 8.287 7.781 -1.598 1.00 0.00 N ATOM 186 CA GLY A 14 7.851 9.138 -1.295 1.00 0.00 C ATOM 187 C GLY A 14 6.393 9.414 -1.670 1.00 0.00 C ATOM 188 O GLY A 14 5.883 8.876 -2.653 1.00 0.00 O ATOM 0 H GLY A 14 8.201 7.144 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.984 9.323 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.493 9.843 -1.824 1.00 0.00 H new ATOM 192 N LYS A 15 5.749 10.284 -0.876 1.00 0.00 N ATOM 193 CA LYS A 15 4.358 10.704 -0.982 1.00 0.00 C ATOM 194 C LYS A 15 3.946 10.895 -2.441 1.00 0.00 C ATOM 195 O LYS A 15 4.458 11.755 -3.153 1.00 0.00 O ATOM 196 CB LYS A 15 4.102 11.962 -0.141 1.00 0.00 C ATOM 197 CG LYS A 15 4.163 11.646 1.361 1.00 0.00 C ATOM 198 CD LYS A 15 3.739 12.867 2.185 1.00 0.00 C ATOM 199 CE LYS A 15 3.740 12.525 3.679 1.00 0.00 C ATOM 200 NZ LYS A 15 3.298 13.669 4.495 1.00 0.00 N ATOM 0 H LYS A 15 6.224 10.737 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 15 3.731 9.910 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.842 12.724 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.125 12.376 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.511 10.803 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.175 11.349 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.419 13.697 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.745 13.193 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.084 11.673 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.743 12.225 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.310 13.404 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.939 14.473 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.332 13.939 4.220 1.00 0.00 H new ATOM 214 N GLY A 16 3.006 10.046 -2.844 1.00 0.00 N ATOM 215 CA GLY A 16 2.535 9.840 -4.206 1.00 0.00 C ATOM 216 C GLY A 16 2.624 8.332 -4.451 1.00 0.00 C ATOM 217 O GLY A 16 1.799 7.731 -5.139 1.00 0.00 O ATOM 0 H GLY A 16 2.521 9.443 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.512 10.196 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.149 10.390 -4.920 1.00 0.00 H new ATOM 221 N THR A 17 3.628 7.718 -3.823 1.00 0.00 N ATOM 222 CA THR A 17 3.857 6.297 -3.783 1.00 0.00 C ATOM 223 C THR A 17 4.163 5.935 -2.332 1.00 0.00 C ATOM 224 O THR A 17 4.397 6.811 -1.498 1.00 0.00 O ATOM 225 CB THR A 17 5.070 5.942 -4.673 1.00 0.00 C ATOM 226 OG1 THR A 17 6.227 6.605 -4.207 1.00 0.00 O ATOM 227 CG2 THR A 17 4.898 6.379 -6.125 1.00 0.00 C ATOM 0 H THR A 17 4.335 8.239 -3.304 1.00 0.00 H new ATOM 0 HA THR A 17 2.988 5.750 -4.148 1.00 0.00 H new ATOM 0 HB THR A 17 5.156 4.857 -4.623 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.965 7.377 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.784 6.101 -6.696 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.023 5.889 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.765 7.460 -6.166 1.00 0.00 H new ATOM 235 N CYS A 18 4.122 4.648 -2.021 1.00 0.00 N ATOM 236 CA CYS A 18 4.582 4.108 -0.757 1.00 0.00 C ATOM 237 C CYS A 18 5.271 2.798 -1.110 1.00 0.00 C ATOM 238 O CYS A 18 5.155 2.323 -2.243 1.00 0.00 O ATOM 239 CB CYS A 18 3.438 3.938 0.252 1.00 0.00 C ATOM 240 SG CYS A 18 2.926 2.234 0.544 1.00 0.00 S ATOM 0 H CYS A 18 3.760 3.937 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 18 5.271 4.785 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.743 4.378 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.576 4.505 -0.100 1.00 0.00 H new ATOM 245 N CYS A 19 5.989 2.206 -0.170 1.00 0.00 N ATOM 246 CA CYS A 19 6.631 0.938 -0.411 1.00 0.00 C ATOM 247 C CYS A 19 5.655 -0.211 -0.155 1.00 0.00 C ATOM 248 O CYS A 19 4.859 -0.157 0.776 1.00 0.00 O ATOM 249 CB CYS A 19 7.842 0.871 0.489 1.00 0.00 C ATOM 250 SG CYS A 19 8.766 -0.636 0.277 1.00 0.00 S ATOM 0 H CYS A 19 6.138 2.588 0.764 1.00 0.00 H new ATOM 0 HA CYS A 19 6.946 0.844 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.490 1.723 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.524 0.955 1.528 1.00 0.00 H new ATOM 255 N ALA A 20 5.691 -1.253 -0.983 1.00 0.00 N ATOM 256 CA ALA A 20 4.857 -2.439 -0.863 1.00 0.00 C ATOM 257 C ALA A 20 5.779 -3.651 -0.833 1.00 0.00 C ATOM 258 O ALA A 20 6.848 -3.631 -1.438 1.00 0.00 O ATOM 259 CB ALA A 20 3.904 -2.518 -2.053 1.00 0.00 C ATOM 0 H ALA A 20 6.324 -1.293 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 20 4.258 -2.404 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.280 -3.407 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.271 -1.631 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.480 -2.572 -2.977 1.00 0.00 H new ATOM 265 N VAL A 21 5.390 -4.697 -0.109 1.00 0.00 N ATOM 266 CA VAL A 21 6.180 -5.918 -0.004 1.00 0.00 C ATOM 267 C VAL A 21 6.247 -6.635 -1.365 1.00 0.00 C ATOM 268 O VAL A 21 5.507 -6.284 -2.284 1.00 0.00 O ATOM 269 CB VAL A 21 5.546 -6.768 1.113 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.251 -8.099 1.368 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.607 -5.987 2.430 1.00 0.00 C ATOM 0 H VAL A 21 4.519 -4.721 0.421 1.00 0.00 H new ATOM 0 HA VAL A 21 7.218 -5.713 0.259 1.00 0.00 H new ATOM 0 HB VAL A 21 4.531 -6.980 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.740 -8.634 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.231 -8.701 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.285 -7.913 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.160 -6.582 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.646 -5.772 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.058 -5.051 2.324 1.00 0.00 H new ATOM 281 N SER A 22 7.139 -7.626 -1.510 1.00 0.00 N ATOM 282 CA SER A 22 7.248 -8.482 -2.692 1.00 0.00 C ATOM 283 C SER A 22 6.496 -9.796 -2.446 1.00 0.00 C ATOM 284 O SER A 22 6.517 -10.342 -1.342 1.00 0.00 O ATOM 285 CB SER A 22 8.725 -8.747 -3.030 1.00 0.00 C ATOM 286 OG SER A 22 8.916 -9.968 -3.734 1.00 0.00 O ATOM 0 H SER A 22 7.821 -7.857 -0.787 1.00 0.00 H new ATOM 0 HA SER A 22 6.797 -7.976 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.110 -7.922 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.306 -8.769 -2.108 1.00 0.00 H new ATOM 0 HG SER A 22 9.875 -10.145 -3.828 1.00 0.00 H new ATOM 292 N LEU A 23 5.813 -10.303 -3.477 1.00 0.00 N ATOM 293 CA LEU A 23 5.101 -11.579 -3.438 1.00 0.00 C ATOM 294 C LEU A 23 6.045 -12.736 -3.787 1.00 0.00 C ATOM 295 O LEU A 23 5.602 -13.880 -3.836 1.00 0.00 O ATOM 296 CB LEU A 23 3.915 -11.535 -4.423 1.00 0.00 C ATOM 297 CG LEU A 23 2.787 -10.599 -3.966 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.794 -10.309 -5.082 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.964 -11.194 -2.824 1.00 0.00 C ATOM 0 H LEU A 23 5.740 -9.828 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 23 4.724 -11.745 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.274 -11.212 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.516 -12.542 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 23 3.299 -9.691 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.015 -9.643 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.312 -9.834 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.343 -11.242 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.180 -10.494 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.512 -12.131 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.612 -11.383 -1.968 1.00 0.00 H new ATOM 311 N TRP A 24 7.332 -12.452 -4.028 1.00 0.00 N ATOM 312 CA TRP A 24 8.318 -13.444 -4.441 1.00 0.00 C ATOM 313 C TRP A 24 9.379 -13.643 -3.359 1.00 0.00 C ATOM 314 O TRP A 24 9.852 -14.758 -3.156 1.00 0.00 O ATOM 315 CB TRP A 24 8.872 -13.024 -5.808 1.00 0.00 C ATOM 316 CG TRP A 24 7.761 -12.816 -6.795 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.125 -13.810 -7.454 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.951 -11.619 -7.008 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.965 -13.330 -8.025 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.782 -11.994 -7.732 1.00 0.00 C ATOM 321 CE3 TRP A 24 7.042 -10.272 -6.593 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.732 -11.097 -7.977 1.00 0.00 C ATOM 323 CZ3 TRP A 24 6.005 -9.357 -6.852 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.836 -9.776 -7.510 1.00 0.00 C ATOM 0 H TRP A 24 7.717 -11.512 -3.939 1.00 0.00 H new ATOM 0 HA TRP A 24 7.865 -14.428 -4.560 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.449 -12.105 -5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.555 -13.789 -6.179 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.474 -14.830 -7.523 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.326 -13.889 -8.590 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.924 -9.938 -6.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.854 -11.418 -8.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.108 -8.327 -6.543 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.020 -9.084 -7.656 1.00 0.00 H new ATOM 335 N ILE A 25 9.739 -12.572 -2.646 1.00 0.00 N ATOM 336 CA ILE A 25 10.699 -12.616 -1.556 1.00 0.00 C ATOM 337 C ILE A 25 10.407 -11.449 -0.614 1.00 0.00 C ATOM 338 O ILE A 25 10.749 -10.309 -0.915 1.00 0.00 O ATOM 339 CB ILE A 25 12.141 -12.642 -2.100 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.161 -12.389 -0.976 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.374 -11.653 -3.251 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.554 -12.936 -1.303 1.00 0.00 C ATOM 0 H ILE A 25 9.362 -11.640 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 25 10.600 -13.536 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 25 12.288 -13.643 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.231 -11.317 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.802 -12.849 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.409 -11.723 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.707 -11.894 -4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.172 -10.639 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.230 -12.728 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.494 -14.013 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.930 -12.457 -2.207 1.00 0.00 H new ATOM 354 N LYS A 26 9.808 -11.738 0.547 1.00 0.00 N ATOM 355 CA LYS A 26 9.420 -10.736 1.538 1.00 0.00 C ATOM 356 C LYS A 26 10.593 -9.861 2.012 1.00 0.00 C ATOM 357 O LYS A 26 10.380 -8.831 2.651 1.00 0.00 O ATOM 358 CB LYS A 26 8.713 -11.416 2.727 1.00 0.00 C ATOM 359 CG LYS A 26 7.564 -10.536 3.233 1.00 0.00 C ATOM 360 CD LYS A 26 6.957 -11.051 4.544 1.00 0.00 C ATOM 361 CE LYS A 26 5.659 -10.303 4.888 1.00 0.00 C ATOM 362 NZ LYS A 26 5.878 -8.864 5.123 1.00 0.00 N ATOM 0 H LYS A 26 9.577 -12.692 0.826 1.00 0.00 H new ATOM 0 HA LYS A 26 8.725 -10.055 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.328 -12.389 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.427 -11.593 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.928 -9.519 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.786 -10.488 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.753 -12.118 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.676 -10.928 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.945 -10.430 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.212 -10.748 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.960 -8.384 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.427 -8.735 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.401 -8.457 4.322 1.00 0.00 H new ATOM 376 N SER A 27 11.832 -10.276 1.740 1.00 0.00 N ATOM 377 CA SER A 27 13.022 -9.515 2.074 1.00 0.00 C ATOM 378 C SER A 27 13.128 -8.259 1.199 1.00 0.00 C ATOM 379 O SER A 27 13.698 -7.261 1.628 1.00 0.00 O ATOM 380 CB SER A 27 14.243 -10.421 1.890 1.00 0.00 C ATOM 381 OG SER A 27 13.960 -11.713 2.394 1.00 0.00 O ATOM 0 H SER A 27 12.032 -11.162 1.276 1.00 0.00 H new ATOM 0 HA SER A 27 12.970 -9.180 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.507 -10.482 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.103 -9.998 2.409 1.00 0.00 H new ATOM 0 HG SER A 27 14.743 -12.290 2.273 1.00 0.00 H new ATOM 387 N VAL A 28 12.603 -8.319 -0.031 1.00 0.00 N ATOM 388 CA VAL A 28 12.620 -7.219 -0.986 1.00 0.00 C ATOM 389 C VAL A 28 11.254 -6.534 -0.955 1.00 0.00 C ATOM 390 O VAL A 28 10.244 -7.163 -0.639 1.00 0.00 O ATOM 391 CB VAL A 28 12.936 -7.763 -2.391 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.941 -6.662 -3.460 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.299 -8.472 -2.412 1.00 0.00 C ATOM 0 H VAL A 28 12.145 -9.156 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 28 13.390 -6.493 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 28 12.141 -8.470 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.169 -7.100 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.961 -6.186 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.697 -5.917 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.499 -8.847 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.080 -7.768 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.287 -9.305 -1.709 1.00 0.00 H new ATOM 403 N ARG A 29 11.219 -5.242 -1.282 1.00 0.00 N ATOM 404 CA ARG A 29 10.005 -4.449 -1.339 1.00 0.00 C ATOM 405 C ARG A 29 10.109 -3.573 -2.598 1.00 0.00 C ATOM 406 O ARG A 29 11.203 -3.418 -3.146 1.00 0.00 O ATOM 407 CB ARG A 29 9.853 -3.661 -0.027 1.00 0.00 C ATOM 408 CG ARG A 29 10.200 -4.491 1.213 1.00 0.00 C ATOM 409 CD ARG A 29 9.863 -3.763 2.523 1.00 0.00 C ATOM 410 NE ARG A 29 9.020 -4.610 3.376 1.00 0.00 N ATOM 411 CZ ARG A 29 9.377 -5.821 3.828 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.627 -6.265 3.680 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.467 -6.603 4.414 1.00 0.00 N ATOM 0 H ARG A 29 12.057 -4.711 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 29 9.100 -5.051 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.497 -2.782 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.827 -3.302 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.658 -5.436 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.263 -4.732 1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.782 -3.505 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.347 -2.828 2.305 1.00 0.00 H new ATOM 0 HE ARG A 29 8.102 -4.254 3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.324 -5.681 3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.885 -7.188 4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.505 -6.278 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.733 -7.525 4.759 1.00 0.00 H new ATOM 427 N VAL A 30 8.994 -3.039 -3.102 1.00 0.00 N ATOM 428 CA VAL A 30 8.939 -2.238 -4.323 1.00 0.00 C ATOM 429 C VAL A 30 7.968 -1.066 -4.148 1.00 0.00 C ATOM 430 O VAL A 30 6.978 -1.176 -3.428 1.00 0.00 O ATOM 431 CB VAL A 30 8.546 -3.122 -5.522 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.697 -4.052 -5.927 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.290 -3.965 -5.249 1.00 0.00 C ATOM 0 H VAL A 30 8.082 -3.156 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 30 9.927 -1.824 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 30 8.324 -2.436 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.390 -4.663 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.566 -3.456 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.954 -4.699 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.059 -4.568 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.469 -4.619 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.450 -3.306 -5.030 1.00 0.00 H new ATOM 443 N CYS A 31 8.244 0.070 -4.791 1.00 0.00 N ATOM 444 CA CYS A 31 7.415 1.259 -4.705 1.00 0.00 C ATOM 445 C CYS A 31 6.138 1.048 -5.507 1.00 0.00 C ATOM 446 O CYS A 31 6.188 0.583 -6.643 1.00 0.00 O ATOM 447 CB CYS A 31 8.188 2.479 -5.207 1.00 0.00 C ATOM 448 SG CYS A 31 9.664 2.877 -4.240 1.00 0.00 S ATOM 0 H CYS A 31 9.061 0.185 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 31 7.144 1.441 -3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.482 2.307 -6.242 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.523 3.342 -5.204 1.00 0.00 H new ATOM 453 N THR A 32 4.997 1.382 -4.906 1.00 0.00 N ATOM 454 CA THR A 32 3.668 1.225 -5.466 1.00 0.00 C ATOM 455 C THR A 32 2.933 2.558 -5.273 1.00 0.00 C ATOM 456 O THR A 32 3.195 3.244 -4.284 1.00 0.00 O ATOM 457 CB THR A 32 3.017 0.065 -4.701 1.00 0.00 C ATOM 458 OG1 THR A 32 3.804 -1.095 -4.875 1.00 0.00 O ATOM 459 CG2 THR A 32 1.601 -0.263 -5.158 1.00 0.00 C ATOM 0 H THR A 32 4.980 1.788 -3.971 1.00 0.00 H new ATOM 0 HA THR A 32 3.654 0.992 -6.531 1.00 0.00 H new ATOM 0 HB THR A 32 2.958 0.382 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.265 -1.889 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.212 -1.093 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.963 0.610 -5.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.614 -0.541 -6.212 1.00 0.00 H new ATOM 467 N PRO A 33 2.061 2.981 -6.204 1.00 0.00 N ATOM 468 CA PRO A 33 1.341 4.238 -6.075 1.00 0.00 C ATOM 469 C PRO A 33 0.303 4.135 -4.957 1.00 0.00 C ATOM 470 O PRO A 33 -0.129 3.034 -4.613 1.00 0.00 O ATOM 471 CB PRO A 33 0.697 4.483 -7.441 1.00 0.00 C ATOM 472 CG PRO A 33 0.488 3.074 -7.992 1.00 0.00 C ATOM 473 CD PRO A 33 1.663 2.282 -7.416 1.00 0.00 C ATOM 0 HA PRO A 33 1.992 5.069 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.246 5.023 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.342 5.076 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.469 2.658 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.495 3.065 -9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.371 1.255 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.487 2.234 -8.127 1.00 0.00 H new ATOM 481 N VAL A 34 -0.090 5.268 -4.365 1.00 0.00 N ATOM 482 CA VAL A 34 -1.160 5.240 -3.368 1.00 0.00 C ATOM 483 C VAL A 34 -2.444 4.712 -4.023 1.00 0.00 C ATOM 484 O VAL A 34 -2.699 4.949 -5.204 1.00 0.00 O ATOM 485 CB VAL A 34 -1.381 6.604 -2.693 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.387 6.815 -1.549 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.274 7.767 -3.678 1.00 0.00 C ATOM 0 H VAL A 34 0.304 6.190 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.862 4.566 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.397 6.590 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.564 7.787 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.518 6.030 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.630 6.778 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.438 8.707 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.281 7.772 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.026 7.653 -4.459 1.00 0.00 H new ATOM 497 N GLY A 35 -3.254 3.987 -3.253 1.00 0.00 N ATOM 498 CA GLY A 35 -4.441 3.319 -3.757 1.00 0.00 C ATOM 499 C GLY A 35 -5.538 4.291 -4.197 1.00 0.00 C ATOM 500 O GLY A 35 -6.072 5.048 -3.387 1.00 0.00 O ATOM 0 H GLY A 35 -3.099 3.849 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.164 2.687 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.836 2.661 -2.983 1.00 0.00 H new ATOM 504 N THR A 36 -5.897 4.254 -5.479 1.00 0.00 N ATOM 505 CA THR A 36 -6.947 5.070 -6.068 1.00 0.00 C ATOM 506 C THR A 36 -8.236 4.242 -6.178 1.00 0.00 C ATOM 507 O THR A 36 -8.255 3.063 -5.827 1.00 0.00 O ATOM 508 CB THR A 36 -6.428 5.568 -7.426 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.729 4.527 -8.082 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.443 6.722 -7.221 1.00 0.00 C ATOM 0 H THR A 36 -5.449 3.635 -6.154 1.00 0.00 H new ATOM 0 HA THR A 36 -7.193 5.936 -5.454 1.00 0.00 H new ATOM 0 HB THR A 36 -7.283 5.895 -8.018 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.371 3.905 -8.485 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.081 7.068 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.945 7.542 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.601 6.379 -6.620 1.00 0.00 H new ATOM 518 N SER A 37 -9.324 4.864 -6.637 1.00 0.00 N ATOM 519 CA SER A 37 -10.655 4.292 -6.765 1.00 0.00 C ATOM 520 C SER A 37 -10.686 2.851 -7.292 1.00 0.00 C ATOM 521 O SER A 37 -10.550 2.631 -8.493 1.00 0.00 O ATOM 522 CB SER A 37 -11.453 5.227 -7.680 1.00 0.00 C ATOM 523 OG SER A 37 -11.120 6.574 -7.377 1.00 0.00 O ATOM 0 H SER A 37 -9.292 5.836 -6.945 1.00 0.00 H new ATOM 0 HA SER A 37 -11.092 4.217 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.229 5.011 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.522 5.064 -7.543 1.00 0.00 H new ATOM 0 HG SER A 37 -11.627 7.176 -7.961 1.00 0.00 H new ATOM 529 N GLY A 38 -10.905 1.878 -6.402 1.00 0.00 N ATOM 530 CA GLY A 38 -11.042 0.472 -6.760 1.00 0.00 C ATOM 531 C GLY A 38 -9.742 -0.326 -6.659 1.00 0.00 C ATOM 532 O GLY A 38 -9.781 -1.553 -6.741 1.00 0.00 O ATOM 0 H GLY A 38 -10.992 2.052 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.789 0.014 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.420 0.403 -7.780 1.00 0.00 H new ATOM 536 N GLU A 39 -8.593 0.328 -6.477 1.00 0.00 N ATOM 537 CA GLU A 39 -7.331 -0.386 -6.339 1.00 0.00 C ATOM 538 C GLU A 39 -7.312 -1.095 -4.985 1.00 0.00 C ATOM 539 O GLU A 39 -7.919 -0.625 -4.020 1.00 0.00 O ATOM 540 CB GLU A 39 -6.140 0.568 -6.510 1.00 0.00 C ATOM 541 CG GLU A 39 -5.836 0.859 -7.989 1.00 0.00 C ATOM 542 CD GLU A 39 -7.054 1.311 -8.792 1.00 0.00 C ATOM 543 OE1 GLU A 39 -7.405 2.504 -8.669 1.00 0.00 O ATOM 544 OE2 GLU A 39 -7.607 0.455 -9.516 1.00 0.00 O ATOM 0 H GLU A 39 -8.514 1.344 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.240 -1.135 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.350 1.504 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.258 0.134 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.068 1.630 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.422 -0.039 -8.449 1.00 0.00 H new ATOM 551 N ASP A 40 -6.633 -2.244 -4.928 1.00 0.00 N ATOM 552 CA ASP A 40 -6.541 -3.056 -3.726 1.00 0.00 C ATOM 553 C ASP A 40 -5.782 -2.323 -2.622 1.00 0.00 C ATOM 554 O ASP A 40 -4.935 -1.473 -2.895 1.00 0.00 O ATOM 555 CB ASP A 40 -5.899 -4.410 -4.043 1.00 0.00 C ATOM 556 CG ASP A 40 -6.734 -5.189 -5.054 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.765 -5.756 -4.630 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.347 -5.169 -6.242 1.00 0.00 O ATOM 0 H ASP A 40 -6.130 -2.634 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.550 -3.239 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.894 -4.256 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.796 -4.991 -3.126 1.00 0.00 H new ATOM 563 N CYS A 41 -6.090 -2.666 -1.373 1.00 0.00 N ATOM 564 CA CYS A 41 -5.495 -2.086 -0.180 1.00 0.00 C ATOM 565 C CYS A 41 -5.565 -3.110 0.942 1.00 0.00 C ATOM 566 O CYS A 41 -6.129 -4.188 0.767 1.00 0.00 O ATOM 567 CB CYS A 41 -6.262 -0.828 0.230 1.00 0.00 C ATOM 568 SG CYS A 41 -7.943 -1.155 0.803 1.00 0.00 S ATOM 0 H CYS A 41 -6.786 -3.381 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.458 -1.815 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.711 -0.319 1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.304 -0.146 -0.619 1.00 0.00 H new ATOM 573 N HIS A 42 -4.978 -2.779 2.091 1.00 0.00 N ATOM 574 CA HIS A 42 -5.063 -3.583 3.294 1.00 0.00 C ATOM 575 C HIS A 42 -5.205 -2.598 4.450 1.00 0.00 C ATOM 576 O HIS A 42 -4.484 -1.596 4.449 1.00 0.00 O ATOM 577 CB HIS A 42 -3.824 -4.466 3.465 1.00 0.00 C ATOM 578 CG HIS A 42 -3.992 -5.423 4.611 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.837 -5.014 5.932 1.00 0.00 N ATOM 580 CD2 HIS A 42 -4.483 -6.699 4.608 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.178 -6.075 6.668 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.578 -7.113 5.920 1.00 0.00 N ATOM 0 H HIS A 42 -4.423 -1.931 2.207 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.911 -4.266 3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.642 -5.023 2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.949 -3.839 3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.748 -7.278 3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.136 -6.095 7.747 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.890 -8.025 6.254 1.00 0.00 H new ATOM 590 N PRO A 43 -6.093 -2.841 5.426 1.00 0.00 N ATOM 591 CA PRO A 43 -6.303 -1.925 6.539 1.00 0.00 C ATOM 592 C PRO A 43 -5.045 -1.696 7.391 1.00 0.00 C ATOM 593 O PRO A 43 -5.028 -0.762 8.187 1.00 0.00 O ATOM 594 CB PRO A 43 -7.454 -2.522 7.356 1.00 0.00 C ATOM 595 CG PRO A 43 -7.406 -4.008 7.004 1.00 0.00 C ATOM 596 CD PRO A 43 -6.994 -3.978 5.535 1.00 0.00 C ATOM 0 HA PRO A 43 -6.546 -0.929 6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.315 -2.358 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.411 -2.076 7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.686 -4.549 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.373 -4.492 7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.499 -4.904 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.860 -3.861 4.883 1.00 0.00 H new ATOM 604 N ALA A 44 -3.980 -2.488 7.207 1.00 0.00 N ATOM 605 CA ALA A 44 -2.727 -2.333 7.933 1.00 0.00 C ATOM 606 C ALA A 44 -1.713 -1.549 7.092 1.00 0.00 C ATOM 607 O ALA A 44 -0.532 -1.504 7.436 1.00 0.00 O ATOM 608 CB ALA A 44 -2.169 -3.713 8.291 1.00 0.00 C ATOM 0 H ALA A 44 -3.971 -3.261 6.541 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.914 -1.773 8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.231 -3.597 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.887 -4.245 8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.991 -4.282 7.378 1.00 0.00 H new ATOM 614 N SER A 45 -2.149 -0.915 5.995 1.00 0.00 N ATOM 615 CA SER A 45 -1.294 -0.053 5.206 1.00 0.00 C ATOM 616 C SER A 45 -0.930 1.170 6.048 1.00 0.00 C ATOM 617 O SER A 45 -1.608 2.192 5.983 1.00 0.00 O ATOM 618 CB SER A 45 -2.020 0.358 3.924 1.00 0.00 C ATOM 619 OG SER A 45 -2.226 -0.779 3.101 1.00 0.00 O ATOM 0 H SER A 45 -3.102 -0.992 5.640 1.00 0.00 H new ATOM 0 HA SER A 45 -0.381 -0.576 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.977 0.819 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.435 1.105 3.388 1.00 0.00 H new ATOM 0 HG SER A 45 -3.004 -1.280 3.424 1.00 0.00 H new ATOM 625 N HIS A 46 0.145 1.057 6.832 1.00 0.00 N ATOM 626 CA HIS A 46 0.641 2.124 7.693 1.00 0.00 C ATOM 627 C HIS A 46 0.844 3.418 6.891 1.00 0.00 C ATOM 628 O HIS A 46 1.068 3.372 5.678 1.00 0.00 O ATOM 629 CB HIS A 46 1.934 1.669 8.381 1.00 0.00 C ATOM 630 CG HIS A 46 2.205 2.371 9.688 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.197 3.761 9.806 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.449 1.829 10.921 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.472 4.001 11.090 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.630 2.875 11.803 1.00 0.00 N ATOM 0 H HIS A 46 0.702 0.204 6.884 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.097 2.340 8.465 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.881 0.595 8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.773 1.839 7.707 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.492 0.777 11.160 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.558 4.993 11.509 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.842 2.806 12.798 1.00 0.00 H new ATOM 642 N LYS A 47 0.784 4.567 7.557 1.00 0.00 N ATOM 643 CA LYS A 47 0.898 5.869 6.920 1.00 0.00 C ATOM 644 C LYS A 47 2.241 6.049 6.209 1.00 0.00 C ATOM 645 O LYS A 47 3.148 5.229 6.339 1.00 0.00 O ATOM 646 CB LYS A 47 0.657 6.973 7.960 1.00 0.00 C ATOM 647 CG LYS A 47 -0.731 6.886 8.612 1.00 0.00 C ATOM 648 CD LYS A 47 -1.852 6.997 7.567 1.00 0.00 C ATOM 649 CE LYS A 47 -3.218 7.231 8.223 1.00 0.00 C ATOM 650 NZ LYS A 47 -3.626 6.088 9.059 1.00 0.00 N ATOM 0 H LYS A 47 0.653 4.618 8.567 1.00 0.00 H new ATOM 0 HA LYS A 47 0.134 5.939 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.421 6.909 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.768 7.946 7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.824 5.941 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.839 7.682 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.632 7.816 6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.886 6.085 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.178 8.133 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.968 7.402 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.569 6.269 9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.656 5.226 8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.942 5.961 9.832 1.00 0.00 H new ATOM 664 N ILE A 48 2.334 7.111 5.408 1.00 0.00 N ATOM 665 CA ILE A 48 3.527 7.468 4.648 1.00 0.00 C ATOM 666 C ILE A 48 4.207 8.650 5.353 1.00 0.00 C ATOM 667 O ILE A 48 3.503 9.594 5.714 1.00 0.00 O ATOM 668 CB ILE A 48 3.135 7.850 3.204 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.203 6.787 2.597 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.390 8.038 2.335 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.808 7.076 1.148 1.00 0.00 C ATOM 0 H ILE A 48 1.561 7.762 5.268 1.00 0.00 H new ATOM 0 HA ILE A 48 4.214 6.623 4.599 1.00 0.00 H new ATOM 0 HB ILE A 48 2.596 8.797 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.694 5.815 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.300 6.718 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.094 8.307 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.008 8.832 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.959 7.109 2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.151 6.286 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.288 8.033 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.703 7.116 0.528 1.00 0.00 H new ATOM 683 N PRO A 49 5.540 8.669 5.523 1.00 0.00 N ATOM 684 CA PRO A 49 6.493 7.631 5.164 1.00 0.00 C ATOM 685 C PRO A 49 6.666 6.631 6.313 1.00 0.00 C ATOM 686 O PRO A 49 6.888 7.028 7.455 1.00 0.00 O ATOM 687 CB PRO A 49 7.800 8.383 4.909 1.00 0.00 C ATOM 688 CG PRO A 49 7.739 9.545 5.902 1.00 0.00 C ATOM 689 CD PRO A 49 6.241 9.851 6.002 1.00 0.00 C ATOM 0 HA PRO A 49 6.167 7.054 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.669 7.749 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.866 8.737 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.158 9.269 6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.302 10.408 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.960 10.077 7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.983 10.724 5.402 1.00 0.00 H new ATOM 697 N PHE A 50 6.612 5.335 6.008 1.00 0.00 N ATOM 698 CA PHE A 50 6.845 4.272 6.972 1.00 0.00 C ATOM 699 C PHE A 50 8.288 3.803 6.797 1.00 0.00 C ATOM 700 O PHE A 50 8.584 2.940 5.969 1.00 0.00 O ATOM 701 CB PHE A 50 5.858 3.118 6.764 1.00 0.00 C ATOM 702 CG PHE A 50 5.986 2.039 7.822 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.585 2.318 9.141 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.643 0.828 7.534 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.855 1.402 10.172 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.868 -0.110 8.557 1.00 0.00 C ATOM 707 CZ PHE A 50 6.505 0.191 9.881 1.00 0.00 C ATOM 0 H PHE A 50 6.402 4.994 5.070 1.00 0.00 H new ATOM 0 HA PHE A 50 6.689 4.637 7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.841 3.510 6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.022 2.678 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.068 3.240 9.362 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.974 0.619 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.563 1.629 11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.320 -1.063 8.325 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.726 -0.508 10.674 1.00 0.00 H new ATOM 717 N SER A 51 9.201 4.393 7.568 1.00 0.00 N ATOM 718 CA SER A 51 10.621 4.094 7.563 1.00 0.00 C ATOM 719 C SER A 51 10.891 2.746 8.247 1.00 0.00 C ATOM 720 O SER A 51 11.634 2.670 9.224 1.00 0.00 O ATOM 721 CB SER A 51 11.328 5.272 8.248 1.00 0.00 C ATOM 722 OG SER A 51 10.516 5.769 9.301 1.00 0.00 O ATOM 0 H SER A 51 8.955 5.121 8.238 1.00 0.00 H new ATOM 0 HA SER A 51 11.008 3.986 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.293 4.951 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.525 6.062 7.523 1.00 0.00 H new ATOM 0 HG SER A 51 10.970 6.520 9.738 1.00 0.00 H new ATOM 728 N GLY A 52 10.305 1.670 7.720 1.00 0.00 N ATOM 729 CA GLY A 52 10.448 0.329 8.252 1.00 0.00 C ATOM 730 C GLY A 52 10.008 -0.687 7.205 1.00 0.00 C ATOM 731 O GLY A 52 9.632 -0.320 6.091 1.00 0.00 O ATOM 0 H GLY A 52 9.707 1.715 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.485 0.148 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.847 0.219 9.155 1.00 0.00 H new ATOM 735 N GLN A 53 10.050 -1.972 7.562 1.00 0.00 N ATOM 736 CA GLN A 53 9.686 -3.046 6.654 1.00 0.00 C ATOM 737 C GLN A 53 8.165 -3.170 6.585 1.00 0.00 C ATOM 738 O GLN A 53 7.532 -3.685 7.504 1.00 0.00 O ATOM 739 CB GLN A 53 10.355 -4.360 7.092 1.00 0.00 C ATOM 740 CG GLN A 53 11.892 -4.297 7.080 1.00 0.00 C ATOM 741 CD GLN A 53 12.440 -3.784 5.750 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.599 -4.538 4.795 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.693 -2.481 5.669 1.00 0.00 N ATOM 0 H GLN A 53 10.337 -2.290 8.487 1.00 0.00 H new ATOM 0 HA GLN A 53 10.046 -2.818 5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.017 -4.614 8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.027 -5.164 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.233 -3.647 7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.296 -5.290 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.550 -1.882 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.030 -2.080 4.794 1.00 0.00 H new ATOM 752 N ARG A 54 7.589 -2.628 5.509 1.00 0.00 N ATOM 753 CA ARG A 54 6.167 -2.682 5.196 1.00 0.00 C ATOM 754 C ARG A 54 5.574 -4.079 5.425 1.00 0.00 C ATOM 755 O ARG A 54 6.230 -5.095 5.199 1.00 0.00 O ATOM 756 CB ARG A 54 5.970 -2.245 3.739 1.00 0.00 C ATOM 757 CG ARG A 54 5.989 -0.717 3.614 1.00 0.00 C ATOM 758 CD ARG A 54 4.567 -0.177 3.801 1.00 0.00 C ATOM 759 NE ARG A 54 4.477 1.287 3.652 1.00 0.00 N ATOM 760 CZ ARG A 54 3.423 1.974 4.116 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.321 1.311 4.475 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.449 3.298 4.257 1.00 0.00 N ATOM 0 H ARG A 54 8.126 -2.120 4.806 1.00 0.00 H new ATOM 0 HA ARG A 54 5.638 -2.007 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.757 -2.674 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.022 -2.632 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.655 -0.287 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.376 -0.425 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.907 -0.651 3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.206 -0.458 4.790 1.00 0.00 H new ATOM 0 HE ARG A 54 5.233 1.788 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.288 0.295 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.512 1.821 4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.289 3.821 4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.629 3.789 4.613 1.00 0.00 H new ATOM 776 N MET A 55 4.308 -4.110 5.845 1.00 0.00 N ATOM 777 CA MET A 55 3.598 -5.325 6.213 1.00 0.00 C ATOM 778 C MET A 55 3.098 -6.121 5.004 1.00 0.00 C ATOM 779 O MET A 55 3.371 -7.317 4.902 1.00 0.00 O ATOM 780 CB MET A 55 2.418 -4.979 7.139 1.00 0.00 C ATOM 781 CG MET A 55 2.814 -4.146 8.365 1.00 0.00 C ATOM 782 SD MET A 55 2.765 -2.347 8.132 1.00 0.00 S ATOM 783 CE MET A 55 3.903 -1.838 9.433 1.00 0.00 C ATOM 0 H MET A 55 3.739 -3.269 5.939 1.00 0.00 H new ATOM 0 HA MET A 55 4.312 -5.963 6.734 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.668 -4.432 6.567 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.950 -5.904 7.476 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.151 -4.407 9.190 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.823 -4.429 8.665 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.858 -0.755 9.552 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.622 -2.318 10.370 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.918 -2.132 9.164 1.00 0.00 H new ATOM 793 N HIS A 56 2.358 -5.463 4.105 1.00 0.00 N ATOM 794 CA HIS A 56 1.679 -6.098 2.980 1.00 0.00 C ATOM 795 C HIS A 56 2.089 -5.514 1.628 1.00 0.00 C ATOM 796 O HIS A 56 2.743 -4.475 1.527 1.00 0.00 O ATOM 797 CB HIS A 56 0.160 -5.937 3.163 1.00 0.00 C ATOM 798 CG HIS A 56 -0.389 -6.635 4.379 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.384 -6.028 5.634 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.948 -7.880 4.492 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.916 -6.934 6.456 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.271 -8.063 5.821 1.00 0.00 N ATOM 0 H HIS A 56 2.214 -4.454 4.144 1.00 0.00 H new ATOM 0 HA HIS A 56 1.968 -7.149 2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.077 -4.875 3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.345 -6.322 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.106 -8.587 3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.047 -6.777 7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.695 -8.891 6.238 1.00 0.00 H new ATOM 810 N HIS A 57 1.654 -6.184 0.562 1.00 0.00 N ATOM 811 CA HIS A 57 1.869 -5.807 -0.831 1.00 0.00 C ATOM 812 C HIS A 57 0.908 -4.682 -1.219 1.00 0.00 C ATOM 813 O HIS A 57 0.323 -4.719 -2.299 1.00 0.00 O ATOM 814 CB HIS A 57 1.616 -7.039 -1.699 1.00 0.00 C ATOM 815 CG HIS A 57 2.342 -8.225 -1.149 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.768 -9.023 -0.166 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.610 -8.657 -1.396 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.704 -9.934 0.097 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.843 -9.744 -0.587 1.00 0.00 N ATOM 0 H HIS A 57 1.116 -7.046 0.653 1.00 0.00 H new ATOM 0 HA HIS A 57 2.889 -5.450 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.547 -7.247 -1.742 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.945 -6.845 -2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.306 -8.224 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.560 -10.747 0.793 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.701 -10.291 -0.521 1.00 0.00 H new ATOM 827 N THR A 58 0.701 -3.709 -0.329 1.00 0.00 N ATOM 828 CA THR A 58 -0.296 -2.672 -0.508 1.00 0.00 C ATOM 829 C THR A 58 0.231 -1.325 -0.034 1.00 0.00 C ATOM 830 O THR A 58 1.259 -1.258 0.641 1.00 0.00 O ATOM 831 CB THR A 58 -1.571 -3.070 0.257 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.367 -3.062 1.658 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.070 -4.465 -0.144 1.00 0.00 C ATOM 0 H THR A 58 1.229 -3.625 0.540 1.00 0.00 H new ATOM 0 HA THR A 58 -0.530 -2.571 -1.568 1.00 0.00 H new ATOM 0 HB THR A 58 -2.320 -2.324 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.719 -2.229 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.971 -4.705 0.420 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.295 -4.478 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.298 -5.204 0.073 1.00 0.00 H new ATOM 841 N CYS A 59 -0.497 -0.258 -0.373 1.00 0.00 N ATOM 842 CA CYS A 59 -0.188 1.098 0.039 1.00 0.00 C ATOM 843 C CYS A 59 -1.465 1.786 0.497 1.00 0.00 C ATOM 844 O CYS A 59 -2.550 1.365 0.094 1.00 0.00 O ATOM 845 CB CYS A 59 0.430 1.885 -1.120 1.00 0.00 C ATOM 846 SG CYS A 59 2.195 1.610 -1.298 1.00 0.00 S ATOM 0 H CYS A 59 -1.333 -0.323 -0.954 1.00 0.00 H new ATOM 0 HA CYS A 59 0.530 1.063 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.070 1.607 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.248 2.949 -0.967 1.00 0.00 H new ATOM 851 N PRO A 60 -1.353 2.824 1.345 1.00 0.00 N ATOM 852 CA PRO A 60 -2.493 3.603 1.786 1.00 0.00 C ATOM 853 C PRO A 60 -3.273 4.164 0.600 1.00 0.00 C ATOM 854 O PRO A 60 -2.735 4.334 -0.496 1.00 0.00 O ATOM 855 CB PRO A 60 -1.924 4.738 2.643 1.00 0.00 C ATOM 856 CG PRO A 60 -0.643 4.117 3.188 1.00 0.00 C ATOM 857 CD PRO A 60 -0.145 3.290 2.009 1.00 0.00 C ATOM 0 HA PRO A 60 -3.192 2.986 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.724 5.633 2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.608 5.028 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.081 4.876 3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.834 3.498 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.470 3.889 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.470 2.454 2.344 1.00 0.00 H new ATOM 865 N CYS A 61 -4.548 4.458 0.832 1.00 0.00 N ATOM 866 CA CYS A 61 -5.405 5.030 -0.188 1.00 0.00 C ATOM 867 C CYS A 61 -5.037 6.497 -0.395 1.00 0.00 C ATOM 868 O CYS A 61 -4.518 7.143 0.517 1.00 0.00 O ATOM 869 CB CYS A 61 -6.870 4.894 0.229 1.00 0.00 C ATOM 870 SG CYS A 61 -7.478 3.208 0.432 1.00 0.00 S ATOM 0 H CYS A 61 -5.010 4.306 1.729 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.264 4.496 -1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.011 5.426 1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.488 5.395 -0.516 1.00 0.00 H new ATOM 875 N ALA A 62 -5.294 7.035 -1.590 1.00 0.00 N ATOM 876 CA ALA A 62 -5.020 8.436 -1.873 1.00 0.00 C ATOM 877 C ALA A 62 -5.808 9.299 -0.875 1.00 0.00 C ATOM 878 O ALA A 62 -6.999 9.032 -0.703 1.00 0.00 O ATOM 879 CB ALA A 62 -5.410 8.775 -3.310 1.00 0.00 C ATOM 0 H ALA A 62 -5.691 6.517 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.954 8.636 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.199 9.826 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.836 8.155 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.474 8.586 -3.453 1.00 0.00 H new ATOM 885 N PRO A 63 -5.175 10.293 -0.222 1.00 0.00 N ATOM 886 CA PRO A 63 -5.750 11.177 0.793 1.00 0.00 C ATOM 887 C PRO A 63 -7.170 11.704 0.568 1.00 0.00 C ATOM 888 O PRO A 63 -7.374 12.869 0.240 1.00 0.00 O ATOM 889 CB PRO A 63 -4.737 12.305 0.972 1.00 0.00 C ATOM 890 CG PRO A 63 -3.439 11.526 0.837 1.00 0.00 C ATOM 891 CD PRO A 63 -3.743 10.555 -0.301 1.00 0.00 C ATOM 0 HA PRO A 63 -5.910 10.582 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.838 13.079 0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.828 12.796 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.599 12.178 0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.184 11.002 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.476 10.986 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.170 9.634 -0.194 1.00 0.00 H new ATOM 899 N ASN A 64 -8.129 10.820 0.828 1.00 0.00 N ATOM 900 CA ASN A 64 -9.581 10.986 0.826 1.00 0.00 C ATOM 901 C ASN A 64 -10.247 9.615 0.748 1.00 0.00 C ATOM 902 O ASN A 64 -11.191 9.344 1.483 1.00 0.00 O ATOM 903 CB ASN A 64 -10.127 11.871 -0.304 1.00 0.00 C ATOM 904 CG ASN A 64 -11.647 11.925 -0.206 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.184 12.390 0.794 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.341 11.419 -1.220 1.00 0.00 N ATOM 0 H ASN A 64 -7.880 9.862 1.073 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.820 11.502 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.710 12.875 -0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.827 11.472 -1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.360 11.407 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.854 11.042 -2.033 1.00 0.00 H new ATOM 913 N LEU A 65 -9.773 8.753 -0.155 1.00 0.00 N ATOM 914 CA LEU A 65 -10.340 7.421 -0.298 1.00 0.00 C ATOM 915 C LEU A 65 -10.065 6.605 0.969 1.00 0.00 C ATOM 916 O LEU A 65 -9.079 6.850 1.663 1.00 0.00 O ATOM 917 CB LEU A 65 -9.791 6.730 -1.553 1.00 0.00 C ATOM 918 CG LEU A 65 -10.329 7.343 -2.856 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.321 8.304 -3.490 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.615 6.225 -3.860 1.00 0.00 C ATOM 0 H LEU A 65 -9.003 8.957 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.420 7.500 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.703 6.793 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.049 5.672 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.235 7.896 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.739 8.716 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.104 9.115 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.401 7.767 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.997 6.656 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.695 5.678 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.357 5.543 -3.444 1.00 0.00 H new ATOM 932 N ALA A 66 -10.938 5.639 1.269 1.00 0.00 N ATOM 933 CA ALA A 66 -10.867 4.793 2.451 1.00 0.00 C ATOM 934 C ALA A 66 -10.701 3.328 2.046 1.00 0.00 C ATOM 935 O ALA A 66 -11.338 2.865 1.098 1.00 0.00 O ATOM 936 CB ALA A 66 -12.143 4.980 3.276 1.00 0.00 C ATOM 0 H ALA A 66 -11.737 5.422 0.673 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.003 5.077 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.098 4.349 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.232 6.024 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.009 4.700 2.676 1.00 0.00 H new ATOM 942 N CYS A 67 -9.844 2.602 2.772 1.00 0.00 N ATOM 943 CA CYS A 67 -9.600 1.185 2.541 1.00 0.00 C ATOM 944 C CYS A 67 -10.731 0.384 3.181 1.00 0.00 C ATOM 945 O CYS A 67 -10.837 0.378 4.407 1.00 0.00 O ATOM 946 CB CYS A 67 -8.258 0.762 3.154 1.00 0.00 C ATOM 947 SG CYS A 67 -7.891 -0.983 2.873 1.00 0.00 S ATOM 0 H CYS A 67 -9.299 2.990 3.542 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.563 0.995 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.460 1.371 2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.273 0.959 4.226 1.00 0.00 H new ATOM 952 N VAL A 68 -11.583 -0.271 2.387 1.00 0.00 N ATOM 953 CA VAL A 68 -12.713 -1.037 2.901 1.00 0.00 C ATOM 954 C VAL A 68 -12.869 -2.355 2.153 1.00 0.00 C ATOM 955 O VAL A 68 -12.465 -2.493 0.999 1.00 0.00 O ATOM 956 CB VAL A 68 -13.991 -0.183 2.900 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.334 0.364 1.510 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.209 -0.910 3.484 1.00 0.00 C ATOM 0 H VAL A 68 -11.505 -0.283 1.370 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.517 -1.302 3.940 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.759 0.656 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.245 0.959 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.515 0.988 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.486 -0.466 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.076 -0.250 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.414 -1.806 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.004 -1.191 4.517 1.00 0.00 H new ATOM 968 N GLN A 69 -13.432 -3.339 2.852 1.00 0.00 N ATOM 969 CA GLN A 69 -13.653 -4.670 2.323 1.00 0.00 C ATOM 970 C GLN A 69 -14.872 -4.670 1.401 1.00 0.00 C ATOM 971 O GLN A 69 -15.927 -4.149 1.754 1.00 0.00 O ATOM 972 CB GLN A 69 -13.635 -5.700 3.463 1.00 0.00 C ATOM 973 CG GLN A 69 -14.881 -5.733 4.353 1.00 0.00 C ATOM 974 CD GLN A 69 -16.100 -6.347 3.672 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.893 -7.220 2.688 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.232 -6.018 4.006 1.00 0.00 N flip ATOM 0 H GLN A 69 -13.749 -3.225 3.815 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.837 -4.989 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.495 -6.690 3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.767 -5.502 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.657 -6.299 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.122 -4.717 4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.366 -5.347 4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.041 -6.415 3.527 1.00 0.00 H new ATOM 985 N THR A 70 -14.694 -5.221 0.202 1.00 0.00 N ATOM 986 CA THR A 70 -15.721 -5.381 -0.819 1.00 0.00 C ATOM 987 C THR A 70 -16.244 -6.821 -0.786 1.00 0.00 C ATOM 988 O THR A 70 -17.377 -7.100 -1.173 1.00 0.00 O ATOM 989 CB THR A 70 -15.145 -4.990 -2.187 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.974 -5.724 -2.491 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.809 -3.497 -2.216 1.00 0.00 C ATOM 0 H THR A 70 -13.788 -5.584 -0.095 1.00 0.00 H new ATOM 0 HA THR A 70 -16.567 -4.722 -0.625 1.00 0.00 H new ATOM 0 HB THR A 70 -15.907 -5.219 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.370 -5.712 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.402 -3.235 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.713 -2.917 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.072 -3.275 -1.444 1.00 0.00 H new ATOM 999 N SER A 71 -15.411 -7.754 -0.322 1.00 0.00 N ATOM 1000 CA SER A 71 -15.721 -9.156 -0.095 1.00 0.00 C ATOM 1001 C SER A 71 -14.733 -9.608 0.991 1.00 0.00 C ATOM 1002 O SER A 71 -13.896 -8.791 1.392 1.00 0.00 O ATOM 1003 CB SER A 71 -15.590 -9.951 -1.404 1.00 0.00 C ATOM 1004 OG SER A 71 -16.144 -9.236 -2.493 1.00 0.00 O ATOM 0 H SER A 71 -14.445 -7.532 -0.082 1.00 0.00 H new ATOM 0 HA SER A 71 -16.747 -9.323 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.539 -10.162 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.095 -10.912 -1.302 1.00 0.00 H new ATOM 0 HG SER A 71 -16.046 -9.763 -3.314 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.822 -10.837 1.521 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.872 -11.320 2.512 1.00 0.00 C ATOM 1012 C PRO A 72 -12.446 -11.165 1.976 1.00 0.00 C ATOM 1013 O PRO A 72 -12.182 -11.571 0.846 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.244 -12.786 2.753 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.740 -12.814 2.437 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.854 -11.829 1.273 1.00 0.00 C ATOM 0 HA PRO A 72 -13.910 -10.760 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.681 -13.458 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.042 -13.091 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.077 -13.812 2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.341 -12.503 3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.700 -12.328 0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.842 -11.371 1.238 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.554 -10.520 2.739 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.157 -10.247 2.387 1.00 0.00 C ATOM 1026 C LYS A 73 -9.996 -9.199 1.271 1.00 0.00 C ATOM 1027 O LYS A 73 -9.047 -8.416 1.302 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.382 -11.534 2.058 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.486 -12.580 3.176 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.608 -13.792 2.837 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.619 -14.841 3.956 1.00 0.00 C ATOM 1032 NZ LYS A 73 -9.959 -15.420 4.160 1.00 0.00 N ATOM 0 H LYS A 73 -11.799 -10.158 3.661 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.716 -9.809 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.765 -11.959 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.333 -11.290 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.171 -12.145 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.523 -12.893 3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.960 -14.246 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.585 -13.460 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.914 -15.636 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.277 -14.384 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.901 -16.194 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.604 -14.686 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.319 -15.790 3.257 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.896 -9.178 0.285 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.879 -8.257 -0.839 1.00 0.00 C ATOM 1048 C LYS A 74 -11.078 -6.812 -0.364 1.00 0.00 C ATOM 1049 O LYS A 74 -12.176 -6.259 -0.454 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.942 -8.699 -1.856 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.742 -8.034 -3.225 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.882 -8.375 -4.197 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.985 -9.865 -4.549 1.00 0.00 C ATOM 1054 NZ LYS A 74 -11.732 -10.388 -5.123 1.00 0.00 N ATOM 0 H LYS A 74 -11.682 -9.827 0.252 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.906 -8.281 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.905 -9.782 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.933 -8.452 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.683 -6.953 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.792 -8.357 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.826 -8.051 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.744 -7.805 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.237 -10.432 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.798 -10.014 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.882 -11.362 -5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.441 -9.791 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.988 -10.380 -4.397 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.988 -6.181 0.070 1.00 0.00 N ATOM 1069 CA PHE A 75 -9.960 -4.817 0.576 1.00 0.00 C ATOM 1070 C PHE A 75 -9.519 -3.898 -0.558 1.00 0.00 C ATOM 1071 O PHE A 75 -8.488 -4.133 -1.185 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.001 -4.716 1.773 1.00 0.00 C ATOM 1073 CG PHE A 75 -9.655 -4.873 3.133 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.227 -3.749 3.761 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.558 -6.088 3.838 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.735 -3.848 5.067 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.083 -6.192 5.138 1.00 0.00 C ATOM 1078 CZ PHE A 75 -10.676 -5.074 5.751 1.00 0.00 C ATOM 0 H PHE A 75 -9.070 -6.625 0.078 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.950 -4.519 0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.230 -5.479 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.500 -3.749 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.275 -2.807 3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.080 -6.941 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.170 -2.983 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.031 -7.132 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.086 -5.158 6.747 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.327 -2.869 -0.838 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.099 -1.907 -1.904 1.00 0.00 C ATOM 1090 C LYS A 76 -10.305 -0.479 -1.405 1.00 0.00 C ATOM 1091 O LYS A 76 -10.959 -0.245 -0.388 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.044 -2.195 -3.075 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.643 -3.466 -3.826 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.608 -3.696 -4.993 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.125 -4.808 -5.930 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.818 -4.488 -6.531 1.00 0.00 N ATOM 0 H LYS A 76 -11.180 -2.684 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.067 -2.004 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.063 -2.298 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.040 -1.349 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.622 -3.375 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.662 -4.321 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.593 -3.953 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.721 -2.770 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.051 -5.744 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.860 -4.963 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.801 -4.814 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.666 -3.460 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.064 -4.964 -5.996 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.730 0.474 -2.137 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.811 1.895 -1.834 1.00 0.00 C ATOM 1112 C CYS A 77 -11.070 2.469 -2.464 1.00 0.00 C ATOM 1113 O CYS A 77 -11.104 2.661 -3.680 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.572 2.616 -2.372 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.083 2.319 -1.403 1.00 0.00 S ATOM 0 H CYS A 77 -9.184 0.271 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.852 2.037 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.395 2.298 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.769 3.688 -2.399 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.107 2.726 -1.662 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.348 3.318 -2.155 1.00 0.00 C ATOM 1122 C LEU A 78 -13.391 4.798 -1.789 1.00 0.00 C ATOM 1123 O LEU A 78 -12.768 5.242 -0.825 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.587 2.583 -1.632 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.905 1.246 -2.330 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.298 1.445 -3.801 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.776 0.215 -2.246 1.00 0.00 C ATOM 0 H LEU A 78 -12.108 2.530 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.363 3.217 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.454 2.395 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.450 3.241 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.754 0.847 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.514 0.477 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.183 2.078 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.476 1.921 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.077 -0.697 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.879 0.618 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.566 -0.011 -1.200 1.00 0.00 H new ATOM 1139 N SER A 79 -14.121 5.562 -2.597 1.00 0.00 N ATOM 1140 CA SER A 79 -14.259 7.002 -2.504 1.00 0.00 C ATOM 1141 C SER A 79 -15.484 7.407 -1.687 1.00 0.00 C ATOM 1142 O SER A 79 -16.410 6.618 -1.507 1.00 0.00 O ATOM 1143 CB SER A 79 -14.365 7.532 -3.938 1.00 0.00 C ATOM 1144 OG SER A 79 -15.229 6.692 -4.689 1.00 0.00 O ATOM 0 H SER A 79 -14.657 5.168 -3.371 1.00 0.00 H new ATOM 0 HA SER A 79 -13.398 7.426 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.747 8.553 -3.933 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.378 7.563 -4.400 1.00 0.00 H new ATOM 0 HG SER A 79 -15.299 7.031 -5.606 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.477 8.659 -1.235 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.520 9.354 -0.514 1.00 0.00 C ATOM 1152 C LYS A 80 -16.115 10.830 -0.573 1.00 0.00 C ATOM 1153 O LYS A 80 -15.010 11.076 -1.123 1.00 0.00 O ATOM 1154 CB LYS A 80 -16.696 8.809 0.915 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.419 8.653 1.757 1.00 0.00 C ATOM 1156 CD LYS A 80 -14.702 9.987 2.002 1.00 0.00 C ATOM 1157 CE LYS A 80 -13.763 9.899 3.208 1.00 0.00 C ATOM 1158 NZ LYS A 80 -12.944 11.118 3.318 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.892 11.672 -0.077 1.00 0.00 O ATOM 0 H LYS A 80 -14.665 9.259 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.506 9.208 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.377 9.471 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.182 7.835 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.674 8.201 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.738 7.967 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.133 10.265 1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.438 10.773 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.345 9.762 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.116 9.027 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.057 10.896 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.729 11.479 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.467 11.841 3.852 1.00 0.00 H new TER 1173 LYS A 80