USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ -112:sc= -0.236 (180deg=-3.76!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.136 X(o=-0.37,f=-0.41) USER MOD Single : A 4 SER OG : rot 33:sc= 0.278 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00965 USER MOD Single : A 7 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.29) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.102 (180deg=-0.728) USER MOD Single : A 14 THR OG1 : rot 81:sc= 0.672 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -50:sc= 0.0607 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.58) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0323 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.66 USER MOD Single : A 33 GLN : amide:sc= -0.511 K(o=-0.51,f=-1.3!) USER MOD Single : A 34 HIS : no HE2:sc= 0.0967 K(o=0.097,f=-0.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -4.32! (180deg=-5.03!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 65:sc= -3.79! USER MOD Single : A 63 TYR OH : rot 26:sc= 0.373 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -1.24 (180deg=-2.04) USER MOD Single : A 73 TYR OH : rot 31:sc= -2.7! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.694 -9.225 -1.126 1.00 1.00 N ATOM 16 CA SER A 4 15.900 -8.035 -0.309 1.00 1.00 C ATOM 17 C SER A 4 14.576 -7.554 0.273 1.00 1.00 C ATOM 18 O SER A 4 13.508 -7.793 -0.296 1.00 1.00 O ATOM 19 CB SER A 4 16.524 -6.923 -1.151 1.00 1.00 C ATOM 20 OG SER A 4 17.633 -7.443 -1.873 1.00 1.00 O ATOM 0 HA SER A 4 16.574 -8.290 0.509 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.785 -6.516 -1.841 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.846 -6.103 -0.509 1.00 1.00 H new ATOM 0 HG SER A 4 17.462 -8.380 -2.104 1.00 1.00 H new ATOM 26 N THR A 5 14.651 -6.881 1.415 1.00 1.00 N ATOM 27 CA THR A 5 13.452 -6.382 2.073 1.00 1.00 C ATOM 28 C THR A 5 12.735 -5.387 1.174 1.00 1.00 C ATOM 29 O THR A 5 11.510 -5.421 1.043 1.00 1.00 O ATOM 30 CB THR A 5 13.824 -5.693 3.390 1.00 1.00 C ATOM 31 OG1 THR A 5 14.784 -6.480 4.082 1.00 1.00 O ATOM 32 CG2 THR A 5 12.581 -5.553 4.268 1.00 1.00 C ATOM 0 H THR A 5 15.523 -6.670 1.901 1.00 1.00 H new ATOM 0 HA THR A 5 12.793 -7.226 2.277 1.00 1.00 H new ATOM 0 HB THR A 5 14.235 -4.707 3.172 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.023 -6.039 4.924 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.850 -5.063 5.204 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.833 -4.956 3.747 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.173 -6.541 4.481 1.00 1.00 H new ATOM 40 N LEU A 6 13.500 -4.495 0.559 1.00 1.00 N ATOM 41 CA LEU A 6 12.912 -3.498 -0.316 1.00 1.00 C ATOM 42 C LEU A 6 12.268 -4.165 -1.526 1.00 1.00 C ATOM 43 O LEU A 6 11.165 -3.802 -1.935 1.00 1.00 O ATOM 44 CB LEU A 6 13.995 -2.508 -0.769 1.00 1.00 C ATOM 45 CG LEU A 6 13.359 -1.161 -1.194 1.00 1.00 C ATOM 46 CD1 LEU A 6 14.343 -0.026 -0.945 1.00 1.00 C ATOM 47 CD2 LEU A 6 12.988 -1.190 -2.675 1.00 1.00 C ATOM 0 H LEU A 6 14.515 -4.443 0.649 1.00 1.00 H new ATOM 0 HA LEU A 6 12.138 -2.958 0.230 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.705 -2.342 0.041 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.556 -2.931 -1.603 1.00 1.00 H new ATOM 0 HG LEU A 6 12.456 -1.002 -0.604 1.00 1.00 H new ATOM 0 HD11 LEU A 6 13.891 0.919 -1.245 1.00 1.00 H new ATOM 0 HD12 LEU A 6 14.594 0.012 0.115 1.00 1.00 H new ATOM 0 HD13 LEU A 6 15.249 -0.196 -1.526 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.542 -0.236 -2.957 1.00 1.00 H new ATOM 0 HD22 LEU A 6 13.884 -1.363 -3.271 1.00 1.00 H new ATOM 0 HD23 LEU A 6 12.272 -1.992 -2.855 1.00 1.00 H new ATOM 59 N GLN A 7 12.962 -5.145 -2.094 1.00 1.00 N ATOM 60 CA GLN A 7 12.444 -5.848 -3.257 1.00 1.00 C ATOM 61 C GLN A 7 11.077 -6.430 -2.932 1.00 1.00 C ATOM 62 O GLN A 7 10.141 -6.333 -3.726 1.00 1.00 O ATOM 63 CB GLN A 7 13.420 -6.954 -3.667 1.00 1.00 C ATOM 64 CG GLN A 7 12.920 -7.645 -4.943 1.00 1.00 C ATOM 65 CD GLN A 7 12.843 -6.636 -6.086 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.863 -6.090 -6.505 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.681 -6.346 -6.606 1.00 1.00 N ATOM 0 H GLN A 7 13.875 -5.467 -1.771 1.00 1.00 H new ATOM 0 HA GLN A 7 12.338 -5.153 -4.090 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.411 -6.532 -3.836 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.516 -7.683 -2.862 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.591 -8.461 -5.212 1.00 1.00 H new ATOM 0 HG3 GLN A 7 11.938 -8.084 -4.768 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.838 -6.801 -6.256 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.616 -5.665 -7.362 1.00 1.00 H new ATOM 76 N LYS A 8 10.968 -7.018 -1.752 1.00 1.00 N ATOM 77 CA LYS A 8 9.703 -7.590 -1.317 1.00 1.00 C ATOM 78 C LYS A 8 8.661 -6.482 -1.196 1.00 1.00 C ATOM 79 O LYS A 8 7.505 -6.662 -1.580 1.00 1.00 O ATOM 80 CB LYS A 8 9.880 -8.312 0.035 1.00 1.00 C ATOM 81 CG LYS A 8 10.057 -9.824 -0.182 1.00 1.00 C ATOM 82 CD LYS A 8 8.683 -10.480 -0.364 1.00 1.00 C ATOM 83 CE LYS A 8 8.855 -11.990 -0.445 1.00 1.00 C ATOM 84 NZ LYS A 8 9.815 -12.320 -1.535 1.00 1.00 N ATOM 0 H LYS A 8 11.732 -7.112 -1.083 1.00 1.00 H new ATOM 0 HA LYS A 8 9.365 -8.320 -2.053 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.747 -7.910 0.558 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.012 -8.129 0.669 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.677 -10.006 -1.060 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.573 -10.266 0.670 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.030 -10.221 0.469 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.206 -10.107 -1.271 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.220 -12.377 0.506 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.894 -12.467 -0.635 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.698 -13.316 -1.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.631 -11.709 -2.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 10.787 -12.166 -1.200 1.00 1.00 H new ATOM 98 N ALA A 9 9.074 -5.338 -0.652 1.00 1.00 N ATOM 99 CA ALA A 9 8.155 -4.226 -0.482 1.00 1.00 C ATOM 100 C ALA A 9 7.539 -3.837 -1.824 1.00 1.00 C ATOM 101 O ALA A 9 6.323 -3.680 -1.941 1.00 1.00 O ATOM 102 CB ALA A 9 8.910 -3.039 0.125 1.00 1.00 C ATOM 0 H ALA A 9 10.025 -5.163 -0.328 1.00 1.00 H new ATOM 0 HA ALA A 9 7.348 -4.521 0.188 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.226 -2.201 0.255 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.321 -3.326 1.093 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.721 -2.745 -0.541 1.00 1.00 H new ATOM 108 N ILE A 10 8.391 -3.697 -2.832 1.00 1.00 N ATOM 109 CA ILE A 10 7.930 -3.340 -4.166 1.00 1.00 C ATOM 110 C ILE A 10 7.031 -4.452 -4.717 1.00 1.00 C ATOM 111 O ILE A 10 6.019 -4.210 -5.358 1.00 1.00 O ATOM 112 CB ILE A 10 9.129 -3.120 -5.095 1.00 1.00 C ATOM 113 CG1 ILE A 10 9.892 -1.869 -4.652 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.631 -2.928 -6.531 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.272 -1.851 -5.318 1.00 1.00 C ATOM 0 H ILE A 10 9.400 -3.825 -2.751 1.00 1.00 H new ATOM 0 HA ILE A 10 7.357 -2.414 -4.111 1.00 1.00 H new ATOM 0 HB ILE A 10 9.789 -3.986 -5.050 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.333 -0.974 -4.924 1.00 1.00 H new ATOM 0 HG13 ILE A 10 9.999 -1.860 -3.567 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.482 -2.771 -7.193 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.083 -3.815 -6.848 1.00 1.00 H new ATOM 0 HG23 ILE A 10 7.973 -2.060 -6.575 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.816 -0.961 -5.003 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.830 -2.740 -5.024 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.153 -1.839 -6.401 1.00 1.00 H new ATOM 127 N ASP A 11 7.429 -5.684 -4.511 1.00 1.00 N ATOM 128 CA ASP A 11 6.647 -6.797 -5.025 1.00 1.00 C ATOM 129 C ASP A 11 5.233 -6.765 -4.458 1.00 1.00 C ATOM 130 O ASP A 11 4.245 -6.898 -5.194 1.00 1.00 O ATOM 131 CB ASP A 11 7.318 -8.107 -4.634 1.00 1.00 C ATOM 132 CG ASP A 11 6.717 -9.270 -5.417 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.985 -9.011 -6.357 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.000 -10.400 -5.064 1.00 1.00 O ATOM 0 H ASP A 11 8.273 -5.945 -4.001 1.00 1.00 H new ATOM 0 HA ASP A 11 6.591 -6.715 -6.111 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.389 -8.046 -4.827 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.197 -8.280 -3.565 1.00 1.00 H new ATOM 139 N LEU A 12 5.131 -6.605 -3.142 1.00 1.00 N ATOM 140 CA LEU A 12 3.835 -6.585 -2.485 1.00 1.00 C ATOM 141 C LEU A 12 2.999 -5.399 -2.940 1.00 1.00 C ATOM 142 O LEU A 12 1.801 -5.535 -3.191 1.00 1.00 O ATOM 143 CB LEU A 12 4.038 -6.488 -0.968 1.00 1.00 C ATOM 144 CG LEU A 12 4.840 -7.696 -0.457 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.551 -7.332 0.854 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.911 -8.888 -0.218 1.00 1.00 C ATOM 0 H LEU A 12 5.927 -6.488 -2.515 1.00 1.00 H new ATOM 0 HA LEU A 12 3.310 -7.503 -2.748 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.563 -5.565 -0.723 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.071 -6.447 -0.467 1.00 1.00 H new ATOM 0 HG LEU A 12 5.580 -7.967 -1.210 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.118 -8.192 1.211 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.230 -6.497 0.680 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.811 -7.048 1.603 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.493 -9.736 0.144 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.159 -8.620 0.525 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.418 -9.158 -1.152 1.00 1.00 H new ATOM 158 N VAL A 13 3.632 -4.238 -3.052 1.00 1.00 N ATOM 159 CA VAL A 13 2.922 -3.043 -3.479 1.00 1.00 C ATOM 160 C VAL A 13 2.471 -3.176 -4.933 1.00 1.00 C ATOM 161 O VAL A 13 1.373 -2.755 -5.296 1.00 1.00 O ATOM 162 CB VAL A 13 3.820 -1.805 -3.298 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.731 -1.626 -4.508 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.954 -0.559 -3.138 1.00 1.00 C ATOM 0 H VAL A 13 4.623 -4.100 -2.855 1.00 1.00 H new ATOM 0 HA VAL A 13 2.033 -2.923 -2.860 1.00 1.00 H new ATOM 0 HB VAL A 13 4.432 -1.949 -2.407 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.359 -0.747 -4.364 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.362 -2.508 -4.622 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.124 -1.496 -5.404 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.593 0.314 -3.010 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.336 -0.429 -4.026 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.314 -0.671 -2.263 1.00 1.00 H new ATOM 174 N THR A 14 3.339 -3.749 -5.767 1.00 1.00 N ATOM 175 CA THR A 14 3.020 -3.907 -7.178 1.00 1.00 C ATOM 176 C THR A 14 1.715 -4.692 -7.311 1.00 1.00 C ATOM 177 O THR A 14 0.768 -4.268 -7.986 1.00 1.00 O ATOM 178 CB THR A 14 4.169 -4.655 -7.880 1.00 1.00 C ATOM 179 OG1 THR A 14 5.271 -3.774 -8.061 1.00 1.00 O ATOM 180 CG2 THR A 14 3.699 -5.175 -9.241 1.00 1.00 C ATOM 0 H THR A 14 4.254 -4.105 -5.492 1.00 1.00 H new ATOM 0 HA THR A 14 2.898 -2.930 -7.646 1.00 1.00 H new ATOM 0 HB THR A 14 4.476 -5.499 -7.262 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.785 -3.717 -7.228 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.517 -5.703 -9.731 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.860 -5.857 -9.100 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.385 -4.336 -9.862 1.00 1.00 H new ATOM 188 N LYS A 15 1.662 -5.832 -6.647 1.00 1.00 N ATOM 189 CA LYS A 15 0.457 -6.641 -6.691 1.00 1.00 C ATOM 190 C LYS A 15 -0.706 -5.840 -6.114 1.00 1.00 C ATOM 191 O LYS A 15 -1.810 -5.863 -6.635 1.00 1.00 O ATOM 192 CB LYS A 15 0.661 -7.920 -5.894 1.00 1.00 C ATOM 193 CG LYS A 15 -0.558 -8.843 -6.054 1.00 1.00 C ATOM 194 CD LYS A 15 -0.171 -10.270 -5.656 1.00 1.00 C ATOM 195 CE LYS A 15 0.577 -10.250 -4.318 1.00 1.00 C ATOM 196 NZ LYS A 15 0.540 -11.610 -3.715 1.00 1.00 N ATOM 0 H LYS A 15 2.421 -6.213 -6.082 1.00 1.00 H new ATOM 0 HA LYS A 15 0.234 -6.908 -7.724 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.561 -8.431 -6.236 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.810 -7.681 -4.841 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.380 -8.490 -5.431 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.910 -8.824 -7.086 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.064 -10.890 -5.575 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.457 -10.715 -6.428 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.609 -9.935 -4.470 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.119 -9.527 -3.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.047 -11.601 -2.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.448 -11.893 -3.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.996 -12.288 -4.359 1.00 1.00 H new ATOM 210 N ALA A 16 -0.455 -5.125 -5.030 1.00 1.00 N ATOM 211 CA ALA A 16 -1.504 -4.332 -4.408 1.00 1.00 C ATOM 212 C ALA A 16 -2.186 -3.436 -5.438 1.00 1.00 C ATOM 213 O ALA A 16 -3.412 -3.318 -5.460 1.00 1.00 O ATOM 214 CB ALA A 16 -0.896 -3.457 -3.307 1.00 1.00 C ATOM 0 H ALA A 16 0.453 -5.076 -4.567 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.245 -5.009 -3.984 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.681 -2.862 -2.840 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.426 -4.092 -2.556 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.148 -2.794 -3.741 1.00 1.00 H new ATOM 220 N THR A 17 -1.386 -2.803 -6.286 1.00 1.00 N ATOM 221 CA THR A 17 -1.928 -1.915 -7.302 1.00 1.00 C ATOM 222 C THR A 17 -2.773 -2.693 -8.299 1.00 1.00 C ATOM 223 O THR A 17 -3.836 -2.231 -8.724 1.00 1.00 O ATOM 224 CB THR A 17 -0.786 -1.197 -8.038 1.00 1.00 C ATOM 225 OG1 THR A 17 0.093 -2.162 -8.597 1.00 1.00 O ATOM 226 CG2 THR A 17 0.002 -0.306 -7.066 1.00 1.00 C ATOM 0 H THR A 17 -0.370 -2.887 -6.290 1.00 1.00 H new ATOM 0 HA THR A 17 -2.560 -1.176 -6.810 1.00 1.00 H new ATOM 0 HB THR A 17 -1.212 -0.575 -8.825 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.341 -2.815 -7.910 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.807 0.195 -7.603 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.665 0.440 -6.634 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.424 -0.920 -6.270 1.00 1.00 H new ATOM 234 N GLU A 18 -2.312 -3.883 -8.660 1.00 1.00 N ATOM 235 CA GLU A 18 -3.062 -4.706 -9.604 1.00 1.00 C ATOM 236 C GLU A 18 -4.423 -5.088 -9.003 1.00 1.00 C ATOM 237 O GLU A 18 -5.437 -5.139 -9.702 1.00 1.00 O ATOM 238 CB GLU A 18 -2.236 -5.966 -9.973 1.00 1.00 C ATOM 239 CG GLU A 18 -2.760 -7.208 -9.236 1.00 1.00 C ATOM 240 CD GLU A 18 -1.879 -8.410 -9.509 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.672 -8.251 -9.494 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.431 -9.476 -9.718 1.00 1.00 O ATOM 0 H GLU A 18 -1.442 -4.295 -8.323 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.245 -4.139 -10.517 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.282 -6.132 -11.049 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.188 -5.804 -9.720 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.794 -7.013 -8.164 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.781 -7.421 -9.553 1.00 1.00 H new ATOM 249 N GLU A 19 -4.424 -5.377 -7.706 1.00 1.00 N ATOM 250 CA GLU A 19 -5.643 -5.766 -7.026 1.00 1.00 C ATOM 251 C GLU A 19 -6.599 -4.586 -6.965 1.00 1.00 C ATOM 252 O GLU A 19 -7.803 -4.735 -7.166 1.00 1.00 O ATOM 253 CB GLU A 19 -5.319 -6.259 -5.612 1.00 1.00 C ATOM 254 CG GLU A 19 -4.631 -7.630 -5.669 1.00 1.00 C ATOM 255 CD GLU A 19 -5.591 -8.680 -6.220 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.788 -8.454 -6.150 1.00 1.00 O ATOM 257 OE2 GLU A 19 -5.116 -9.693 -6.708 1.00 1.00 O ATOM 0 H GLU A 19 -3.596 -5.348 -7.111 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.118 -6.576 -7.579 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.672 -5.541 -5.109 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.235 -6.329 -5.025 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.743 -7.573 -6.298 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.298 -7.919 -4.672 1.00 1.00 H new ATOM 264 N ASP A 20 -6.050 -3.409 -6.702 1.00 1.00 N ATOM 265 CA ASP A 20 -6.866 -2.207 -6.627 1.00 1.00 C ATOM 266 C ASP A 20 -7.592 -1.994 -7.952 1.00 1.00 C ATOM 267 O ASP A 20 -8.771 -1.639 -7.974 1.00 1.00 O ATOM 268 CB ASP A 20 -5.982 -0.996 -6.319 1.00 1.00 C ATOM 269 CG ASP A 20 -6.845 0.178 -5.869 1.00 1.00 C ATOM 270 OD1 ASP A 20 -8.057 0.030 -5.864 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.284 1.209 -5.540 1.00 1.00 O ATOM 0 H ASP A 20 -5.054 -3.261 -6.539 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.601 -2.323 -5.830 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.263 -1.249 -5.540 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.409 -0.719 -7.204 1.00 1.00 H new ATOM 276 N LYS A 21 -6.885 -2.225 -9.054 1.00 1.00 N ATOM 277 CA LYS A 21 -7.484 -2.070 -10.370 1.00 1.00 C ATOM 278 C LYS A 21 -8.570 -3.118 -10.570 1.00 1.00 C ATOM 279 O LYS A 21 -9.622 -2.837 -11.150 1.00 1.00 O ATOM 280 CB LYS A 21 -6.421 -2.218 -11.450 1.00 1.00 C ATOM 281 CG LYS A 21 -5.421 -1.063 -11.350 1.00 1.00 C ATOM 282 CD LYS A 21 -4.294 -1.239 -12.400 1.00 1.00 C ATOM 283 CE LYS A 21 -2.927 -1.075 -11.730 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.875 -0.996 -12.780 1.00 1.00 N ATOM 0 H LYS A 21 -5.908 -2.517 -9.060 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.926 -1.076 -10.442 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.904 -3.171 -11.337 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.888 -2.224 -12.435 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.933 -0.114 -11.511 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.993 -1.029 -10.348 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.366 -2.223 -12.862 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.409 -0.504 -13.196 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.915 -0.174 -11.117 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.731 -1.916 -11.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.944 -0.884 -12.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.884 -1.868 -13.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.061 -0.180 -13.397 1.00 1.00 H new ATOM 298 N ALA A 22 -8.301 -4.333 -10.090 1.00 1.00 N ATOM 299 CA ALA A 22 -9.261 -5.420 -10.220 1.00 1.00 C ATOM 300 C ALA A 22 -10.420 -5.217 -9.275 1.00 1.00 C ATOM 301 O ALA A 22 -11.260 -6.101 -9.120 1.00 1.00 O ATOM 302 CB ALA A 22 -8.591 -6.759 -9.930 1.00 1.00 C ATOM 0 H ALA A 22 -7.435 -4.584 -9.613 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.635 -5.423 -11.244 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.322 -7.561 -10.031 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.776 -6.919 -10.636 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.195 -6.755 -8.915 1.00 1.00 H new ATOM 308 N LYS A 23 -10.460 -4.047 -8.641 1.00 1.00 N ATOM 309 CA LYS A 23 -11.520 -3.713 -7.698 1.00 1.00 C ATOM 310 C LYS A 23 -11.420 -4.566 -6.444 1.00 1.00 C ATOM 311 O LYS A 23 -12.420 -4.843 -5.784 1.00 1.00 O ATOM 312 CB LYS A 23 -12.890 -3.923 -8.348 1.00 1.00 C ATOM 313 CG LYS A 23 -12.930 -3.223 -9.710 1.00 1.00 C ATOM 314 CD LYS A 23 -12.770 -1.713 -9.521 1.00 1.00 C ATOM 315 CE LYS A 23 -13.200 -0.987 -10.790 1.00 1.00 C ATOM 316 NZ LYS A 23 -13.170 0.483 -10.550 1.00 1.00 N ATOM 0 H LYS A 23 -9.765 -3.311 -8.766 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.405 -2.665 -7.420 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.085 -4.988 -8.470 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.674 -3.527 -7.702 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.134 -3.605 -10.349 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.873 -3.438 -10.212 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.372 -1.377 -8.677 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.732 -1.474 -9.288 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.535 -1.246 -11.614 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -14.203 -1.300 -11.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.463 0.982 -11.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -13.821 0.722 -9.775 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.205 0.773 -10.293 1.00 1.00 H new ATOM 330 N ASN A 24 -10.190 -4.972 -6.107 1.00 1.00 N ATOM 331 CA ASN A 24 -9.969 -5.785 -4.913 1.00 1.00 C ATOM 332 C ASN A 24 -9.416 -4.908 -3.784 1.00 1.00 C ATOM 333 O ASN A 24 -8.257 -5.026 -3.396 1.00 1.00 O ATOM 334 CB ASN A 24 -8.985 -6.927 -5.246 1.00 1.00 C ATOM 335 CG ASN A 24 -9.721 -8.253 -5.399 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.860 -8.283 -5.852 1.00 1.00 O ATOM 337 ND2 ASN A 24 -9.126 -9.350 -5.025 1.00 1.00 N ATOM 0 H ASN A 24 -9.347 -4.753 -6.637 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.913 -6.218 -4.583 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.451 -6.695 -6.167 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.238 -7.010 -4.457 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.608 -10.245 -5.108 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.178 -9.314 -4.650 1.00 1.00 H new ATOM 344 N TYR A 25 -10.250 -4.027 -3.268 1.00 1.00 N ATOM 345 CA TYR A 25 -9.828 -3.137 -2.198 1.00 1.00 C ATOM 346 C TYR A 25 -9.330 -3.940 -1.004 1.00 1.00 C ATOM 347 O TYR A 25 -8.353 -3.567 -0.365 1.00 1.00 O ATOM 348 CB TYR A 25 -11.000 -2.263 -1.768 1.00 1.00 C ATOM 349 CG TYR A 25 -11.780 -1.825 -2.985 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.110 -1.294 -4.097 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.180 -1.952 -3.001 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.840 -0.895 -5.220 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.910 -1.548 -4.129 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.230 -1.022 -5.239 1.00 1.00 C ATOM 355 OH TYR A 25 -13.950 -0.626 -6.353 1.00 1.00 O ATOM 0 H TYR A 25 -11.218 -3.906 -3.568 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.016 -2.509 -2.565 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.648 -2.816 -1.088 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.636 -1.391 -1.224 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.035 -1.194 -4.085 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.694 -2.361 -2.144 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.326 -0.486 -6.077 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.986 -1.641 -4.143 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.905 -0.784 -6.199 1.00 1.00 H new ATOM 365 N GLU A 26 -10.010 -5.036 -0.695 1.00 1.00 N ATOM 366 CA GLU A 26 -9.612 -5.854 0.443 1.00 1.00 C ATOM 367 C GLU A 26 -8.210 -6.428 0.241 1.00 1.00 C ATOM 368 O GLU A 26 -7.328 -6.257 1.089 1.00 1.00 O ATOM 369 CB GLU A 26 -10.630 -7.007 0.620 1.00 1.00 C ATOM 370 CG GLU A 26 -11.370 -6.855 1.944 1.00 1.00 C ATOM 371 CD GLU A 26 -10.430 -7.191 3.097 1.00 1.00 C ATOM 372 OE1 GLU A 26 -9.355 -7.688 2.831 1.00 1.00 O ATOM 373 OE2 GLU A 26 -10.810 -6.940 4.230 1.00 1.00 O ATOM 0 H GLU A 26 -10.825 -5.375 -1.206 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.597 -5.229 1.336 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.342 -7.004 -0.206 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.113 -7.966 0.592 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.741 -5.836 2.050 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.238 -7.514 1.965 1.00 1.00 H new ATOM 380 N GLU A 27 -8.013 -7.106 -0.880 1.00 1.00 N ATOM 381 CA GLU A 27 -6.719 -7.702 -1.161 1.00 1.00 C ATOM 382 C GLU A 27 -5.666 -6.607 -1.303 1.00 1.00 C ATOM 383 O GLU A 27 -4.569 -6.707 -0.750 1.00 1.00 O ATOM 384 CB GLU A 27 -6.792 -8.531 -2.457 1.00 1.00 C ATOM 385 CG GLU A 27 -5.756 -9.651 -2.425 1.00 1.00 C ATOM 386 CD GLU A 27 -6.196 -10.730 -1.453 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.317 -10.650 -0.975 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.409 -11.630 -1.198 1.00 1.00 O ATOM 0 H GLU A 27 -8.721 -7.255 -1.599 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.443 -8.359 -0.336 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.791 -8.953 -2.572 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.616 -7.888 -3.319 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.634 -10.075 -3.422 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.786 -9.253 -2.127 1.00 1.00 H new ATOM 395 N ALA A 28 -6.013 -5.558 -2.043 1.00 1.00 N ATOM 396 CA ALA A 28 -5.098 -4.450 -2.251 1.00 1.00 C ATOM 397 C ALA A 28 -4.707 -3.836 -0.920 1.00 1.00 C ATOM 398 O ALA A 28 -3.537 -3.534 -0.691 1.00 1.00 O ATOM 399 CB ALA A 28 -5.752 -3.385 -3.137 1.00 1.00 C ATOM 0 H ALA A 28 -6.917 -5.456 -2.505 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.203 -4.827 -2.746 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.057 -2.559 -3.286 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.009 -3.822 -4.102 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.656 -3.015 -2.654 1.00 1.00 H new ATOM 405 N LEU A 29 -5.682 -3.651 -0.033 1.00 1.00 N ATOM 406 CA LEU A 29 -5.409 -3.062 1.263 1.00 1.00 C ATOM 407 C LEU A 29 -4.409 -3.891 2.046 1.00 1.00 C ATOM 408 O LEU A 29 -3.473 -3.351 2.640 1.00 1.00 O ATOM 409 CB LEU A 29 -6.720 -2.973 2.063 1.00 1.00 C ATOM 410 CG LEU A 29 -6.455 -2.511 3.507 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.039 -1.058 3.527 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.707 -2.695 4.353 1.00 1.00 C ATOM 0 H LEU A 29 -6.658 -3.900 -0.192 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.986 -2.070 1.105 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.402 -2.277 1.574 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.211 -3.946 2.073 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.649 -3.116 3.921 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.855 -0.746 4.555 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.128 -0.932 2.941 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.833 -0.446 3.099 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.509 -2.365 5.373 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.521 -2.104 3.932 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.989 -3.748 4.361 1.00 1.00 H new ATOM 424 N ARG A 30 -4.612 -5.198 2.060 1.00 1.00 N ATOM 425 CA ARG A 30 -3.712 -6.073 2.796 1.00 1.00 C ATOM 426 C ARG A 30 -2.287 -5.956 2.259 1.00 1.00 C ATOM 427 O ARG A 30 -1.319 -5.882 3.027 1.00 1.00 O ATOM 428 CB ARG A 30 -4.202 -7.515 2.674 1.00 1.00 C ATOM 429 CG ARG A 30 -5.456 -7.713 3.534 1.00 1.00 C ATOM 430 CD ARG A 30 -6.030 -9.109 3.287 1.00 1.00 C ATOM 431 NE ARG A 30 -5.042 -10.130 3.645 1.00 1.00 N ATOM 432 CZ ARG A 30 -4.467 -10.920 2.730 1.00 1.00 C ATOM 433 NH1 ARG A 30 -4.766 -10.790 1.466 1.00 1.00 N ATOM 434 NH2 ARG A 30 -3.597 -11.820 3.099 1.00 1.00 N ATOM 0 H ARG A 30 -5.377 -5.671 1.580 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.705 -5.776 3.845 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.424 -7.746 1.632 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.419 -8.203 2.993 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.209 -7.591 4.589 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.200 -6.954 3.291 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.937 -9.247 3.876 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -6.311 -9.215 2.239 1.00 1.00 H new ATOM 0 HE ARG A 30 -4.783 -10.243 4.625 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.441 -10.084 1.172 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -4.325 -11.394 0.773 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -3.355 -11.922 4.085 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -3.159 -12.422 2.402 1.00 1.00 H new ATOM 448 N LEU A 31 -2.163 -5.937 0.940 1.00 1.00 N ATOM 449 CA LEU A 31 -0.854 -5.828 0.311 1.00 1.00 C ATOM 450 C LEU A 31 -0.240 -4.461 0.584 1.00 1.00 C ATOM 451 O LEU A 31 0.965 -4.346 0.804 1.00 1.00 O ATOM 452 CB LEU A 31 -0.981 -6.056 -1.193 1.00 1.00 C ATOM 453 CG LEU A 31 -1.548 -7.455 -1.450 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.914 -7.587 -2.930 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.520 -8.532 -1.077 1.00 1.00 C ATOM 0 H LEU A 31 -2.946 -5.995 0.289 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.199 -6.590 0.734 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.633 -5.301 -1.632 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.007 -5.953 -1.671 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.436 -7.594 -0.833 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.318 -8.582 -3.118 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.662 -6.837 -3.188 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.023 -7.436 -3.540 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.942 -9.519 -1.267 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.380 -8.400 -1.678 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.267 -8.443 -0.021 1.00 1.00 H new ATOM 467 N TYR A 32 -1.070 -3.426 0.560 1.00 1.00 N ATOM 468 CA TYR A 32 -0.581 -2.075 0.795 1.00 1.00 C ATOM 469 C TYR A 32 0.073 -1.972 2.171 1.00 1.00 C ATOM 470 O TYR A 32 1.177 -1.434 2.311 1.00 1.00 O ATOM 471 CB TYR A 32 -1.750 -1.071 0.701 1.00 1.00 C ATOM 472 CG TYR A 32 -1.936 -0.601 -0.727 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.883 0.044 -1.389 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.152 -0.815 -1.391 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.040 0.475 -2.706 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.306 -0.387 -2.714 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.251 0.257 -3.369 1.00 1.00 C ATOM 478 OH TYR A 32 -2.401 0.669 -4.673 1.00 1.00 O ATOM 0 H TYR A 32 -2.072 -3.494 0.383 1.00 1.00 H new ATOM 0 HA TYR A 32 0.164 -1.840 0.035 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.668 -1.539 1.058 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.555 -0.216 1.348 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.054 0.208 -0.877 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.967 -1.309 -0.883 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.228 0.976 -3.212 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.240 -0.554 -3.230 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.301 0.441 -4.987 1.00 1.00 H new ATOM 488 N GLN A 33 -0.612 -2.485 3.178 1.00 1.00 N ATOM 489 CA GLN A 33 -0.090 -2.435 4.534 1.00 1.00 C ATOM 490 C GLN A 33 1.201 -3.242 4.636 1.00 1.00 C ATOM 491 O GLN A 33 2.163 -2.826 5.294 1.00 1.00 O ATOM 492 CB GLN A 33 -1.134 -2.997 5.505 1.00 1.00 C ATOM 493 CG GLN A 33 -2.367 -2.090 5.520 1.00 1.00 C ATOM 494 CD GLN A 33 -3.407 -2.639 6.491 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.164 -3.642 7.163 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.559 -2.036 6.610 1.00 1.00 N ATOM 0 H GLN A 33 -1.522 -2.937 3.085 1.00 1.00 H new ATOM 0 HA GLN A 33 0.126 -1.399 4.793 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.417 -4.006 5.206 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.711 -3.068 6.507 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.082 -1.080 5.813 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.792 -2.024 4.518 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.760 -1.205 6.053 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.258 -2.396 7.260 1.00 1.00 H new ATOM 505 N HIS A 34 1.225 -4.391 3.973 1.00 1.00 N ATOM 506 CA HIS A 34 2.415 -5.239 4.002 1.00 1.00 C ATOM 507 C HIS A 34 3.592 -4.540 3.314 1.00 1.00 C ATOM 508 O HIS A 34 4.687 -4.441 3.874 1.00 1.00 O ATOM 509 CB HIS A 34 2.110 -6.572 3.293 1.00 1.00 C ATOM 510 CG HIS A 34 1.573 -7.568 4.283 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.287 -8.076 4.197 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.135 -8.148 5.388 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.118 -8.924 5.226 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.215 -9.005 5.985 1.00 1.00 N ATOM 0 H HIS A 34 0.451 -4.755 3.417 1.00 1.00 H new ATOM 0 HA HIS A 34 2.688 -5.430 5.040 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.385 -6.412 2.495 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.015 -6.961 2.827 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.405 -7.848 3.483 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.139 -7.968 5.743 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.793 -9.473 5.416 1.00 1.00 H new ATOM 523 N ALA A 35 3.356 -4.055 2.103 1.00 1.00 N ATOM 524 CA ALA A 35 4.401 -3.376 1.353 1.00 1.00 C ATOM 525 C ALA A 35 5.047 -2.291 2.211 1.00 1.00 C ATOM 526 O ALA A 35 6.271 -2.213 2.311 1.00 1.00 O ATOM 527 CB ALA A 35 3.799 -2.735 0.090 1.00 1.00 C ATOM 0 H ALA A 35 2.458 -4.118 1.623 1.00 1.00 H new ATOM 0 HA ALA A 35 5.159 -4.106 1.069 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.584 -2.227 -0.470 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.352 -3.509 -0.533 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.034 -2.014 0.377 1.00 1.00 H new ATOM 533 N VAL A 36 4.214 -1.462 2.825 1.00 1.00 N ATOM 534 CA VAL A 36 4.718 -0.380 3.663 1.00 1.00 C ATOM 535 C VAL A 36 5.606 -0.928 4.769 1.00 1.00 C ATOM 536 O VAL A 36 6.667 -0.372 5.057 1.00 1.00 O ATOM 537 CB VAL A 36 3.549 0.409 4.277 1.00 1.00 C ATOM 538 CG1 VAL A 36 4.080 1.324 5.397 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.862 1.256 3.181 1.00 1.00 C ATOM 0 H VAL A 36 3.197 -1.515 2.761 1.00 1.00 H new ATOM 0 HA VAL A 36 5.309 0.288 3.037 1.00 1.00 H new ATOM 0 HB VAL A 36 2.821 -0.285 4.697 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.252 1.884 5.833 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.554 0.717 6.169 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.810 2.020 4.983 1.00 1.00 H new ATOM 0 HG21 VAL A 36 2.034 1.814 3.618 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.584 1.952 2.754 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.483 0.599 2.398 1.00 1.00 H new ATOM 549 N GLU A 37 5.170 -2.011 5.385 1.00 1.00 N ATOM 550 CA GLU A 37 5.947 -2.612 6.463 1.00 1.00 C ATOM 551 C GLU A 37 7.370 -2.923 6.004 1.00 1.00 C ATOM 552 O GLU A 37 8.342 -2.579 6.679 1.00 1.00 O ATOM 553 CB GLU A 37 5.270 -3.907 6.921 1.00 1.00 C ATOM 554 CG GLU A 37 5.711 -4.254 8.346 1.00 1.00 C ATOM 555 CD GLU A 37 7.188 -4.634 8.352 1.00 1.00 C ATOM 556 OE1 GLU A 37 7.636 -5.205 7.370 1.00 1.00 O ATOM 557 OE2 GLU A 37 7.852 -4.343 9.333 1.00 1.00 O ATOM 0 H GLU A 37 4.296 -2.490 5.165 1.00 1.00 H new ATOM 0 HA GLU A 37 5.995 -1.902 7.288 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.187 -3.793 6.885 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.528 -4.721 6.243 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.542 -3.403 9.006 1.00 1.00 H new ATOM 0 HG3 GLU A 37 5.112 -5.079 8.731 1.00 1.00 H new ATOM 564 N TYR A 38 7.485 -3.577 4.857 1.00 1.00 N ATOM 565 CA TYR A 38 8.799 -3.930 4.328 1.00 1.00 C ATOM 566 C TYR A 38 9.604 -2.677 3.983 1.00 1.00 C ATOM 567 O TYR A 38 10.814 -2.625 4.202 1.00 1.00 O ATOM 568 CB TYR A 38 8.651 -4.807 3.078 1.00 1.00 C ATOM 569 CG TYR A 38 8.362 -6.237 3.479 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.190 -6.543 4.173 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.275 -7.252 3.164 1.00 1.00 C ATOM 572 CE1 TYR A 38 6.924 -7.862 4.552 1.00 1.00 C ATOM 573 CE2 TYR A 38 9.010 -8.571 3.542 1.00 1.00 C ATOM 574 CZ TYR A 38 7.835 -8.877 4.235 1.00 1.00 C ATOM 575 OH TYR A 38 7.573 -10.170 4.611 1.00 1.00 O ATOM 0 H TYR A 38 6.697 -3.872 4.280 1.00 1.00 H new ATOM 0 HA TYR A 38 9.333 -4.486 5.098 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.845 -4.427 2.451 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.564 -4.765 2.484 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.488 -5.760 4.417 1.00 1.00 H new ATOM 0 HD2 TYR A 38 10.183 -7.015 2.629 1.00 1.00 H new ATOM 0 HE1 TYR A 38 6.017 -8.098 5.089 1.00 1.00 H new ATOM 0 HE2 TYR A 38 9.713 -9.354 3.299 1.00 1.00 H new ATOM 0 HH TYR A 38 8.304 -10.752 4.314 1.00 1.00 H new ATOM 585 N PHE A 39 8.927 -1.676 3.443 1.00 1.00 N ATOM 586 CA PHE A 39 9.601 -0.438 3.067 1.00 1.00 C ATOM 587 C PHE A 39 10.237 0.225 4.296 1.00 1.00 C ATOM 588 O PHE A 39 11.415 0.618 4.276 1.00 1.00 O ATOM 589 CB PHE A 39 8.583 0.525 2.418 1.00 1.00 C ATOM 590 CG PHE A 39 8.455 0.235 0.936 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.572 0.372 0.103 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.226 -0.175 0.396 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.466 0.098 -1.263 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.121 -0.449 -0.973 1.00 1.00 C ATOM 595 CZ PHE A 39 8.242 -0.314 -1.801 1.00 1.00 C ATOM 0 H PHE A 39 7.924 -1.692 3.256 1.00 1.00 H new ATOM 0 HA PHE A 39 10.391 -0.670 2.353 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.612 0.418 2.901 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.902 1.557 2.567 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.517 0.690 0.517 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.362 -0.279 1.036 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.329 0.204 -1.904 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.176 -0.764 -1.390 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.162 -0.528 -2.856 1.00 1.00 H new ATOM 605 N LEU A 40 9.455 0.341 5.358 1.00 1.00 N ATOM 606 CA LEU A 40 9.930 0.958 6.586 1.00 1.00 C ATOM 607 C LEU A 40 11.071 0.140 7.174 1.00 1.00 C ATOM 608 O LEU A 40 12.045 0.680 7.702 1.00 1.00 O ATOM 609 CB LEU A 40 8.788 1.052 7.598 1.00 1.00 C ATOM 610 CG LEU A 40 7.690 1.981 7.054 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.451 1.869 7.945 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.180 3.442 7.028 1.00 1.00 C ATOM 0 H LEU A 40 8.489 0.016 5.394 1.00 1.00 H new ATOM 0 HA LEU A 40 10.291 1.961 6.359 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.377 0.061 7.791 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.162 1.432 8.549 1.00 1.00 H new ATOM 0 HG LEU A 40 7.444 1.681 6.035 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.669 2.526 7.564 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.093 0.839 7.943 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.707 2.162 8.963 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.389 4.084 6.640 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.440 3.757 8.039 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.058 3.520 6.387 1.00 1.00 H new ATOM 624 N HIS A 41 10.953 -1.171 7.068 1.00 1.00 N ATOM 625 CA HIS A 41 11.987 -2.056 7.587 1.00 1.00 C ATOM 626 C HIS A 41 13.275 -1.911 6.776 1.00 1.00 C ATOM 627 O HIS A 41 14.369 -2.086 7.291 1.00 1.00 O ATOM 628 CB HIS A 41 11.508 -3.506 7.532 1.00 1.00 C ATOM 629 CG HIS A 41 12.417 -4.374 8.364 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.116 -4.723 9.672 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.623 -4.972 8.087 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.120 -5.495 10.128 1.00 1.00 C ATOM 633 NE2 HIS A 41 14.065 -5.676 9.203 1.00 1.00 N ATOM 0 H HIS A 41 10.162 -1.645 6.633 1.00 1.00 H new ATOM 0 HA HIS A 41 12.190 -1.780 8.622 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.485 -3.575 7.902 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.499 -3.857 6.500 1.00 1.00 H new ATOM 0 HD2 HIS A 41 14.148 -4.906 7.146 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.156 -5.917 11.122 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.926 -6.215 9.294 1.00 1.00 H new ATOM 642 N ALA A 42 13.143 -1.605 5.500 1.00 1.00 N ATOM 643 CA ALA A 42 14.314 -1.460 4.652 1.00 1.00 C ATOM 644 C ALA A 42 15.137 -0.235 5.033 1.00 1.00 C ATOM 645 O ALA A 42 16.340 -0.302 5.212 1.00 1.00 O ATOM 646 CB ALA A 42 13.893 -1.310 3.197 1.00 1.00 C ATOM 0 H ALA A 42 12.250 -1.453 5.031 1.00 1.00 H new ATOM 0 HA ALA A 42 14.920 -2.356 4.789 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.779 -1.202 2.571 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.335 -2.193 2.887 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.263 -0.427 3.090 1.00 1.00 H new ATOM 652 N ILE A 43 14.474 0.884 5.211 1.00 1.00 N ATOM 653 CA ILE A 43 15.185 2.101 5.591 1.00 1.00 C ATOM 654 C ILE A 43 15.793 1.990 6.986 1.00 1.00 C ATOM 655 O ILE A 43 16.849 2.563 7.257 1.00 1.00 O ATOM 656 CB ILE A 43 14.232 3.292 5.534 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.923 2.927 6.232 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.952 3.649 4.078 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.963 4.120 6.207 1.00 1.00 C ATOM 0 H ILE A 43 13.465 0.986 5.104 1.00 1.00 H new ATOM 0 HA ILE A 43 16.002 2.246 4.884 1.00 1.00 H new ATOM 0 HB ILE A 43 14.685 4.147 6.036 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.464 2.071 5.737 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.121 2.631 7.262 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.271 4.499 4.036 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.887 3.908 3.581 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.497 2.796 3.575 1.00 1.00 H new ATOM 0 HD11 ILE A 43 11.033 3.849 6.707 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.419 4.965 6.722 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.752 4.396 5.174 1.00 1.00 H new ATOM 671 N LYS A 44 15.124 1.264 7.872 1.00 1.00 N ATOM 672 CA LYS A 44 15.626 1.104 9.237 1.00 1.00 C ATOM 673 C LYS A 44 16.678 0.021 9.352 1.00 1.00 C ATOM 674 O LYS A 44 17.741 0.223 9.938 1.00 1.00 O ATOM 675 CB LYS A 44 14.487 0.717 10.167 1.00 1.00 C ATOM 676 CG LYS A 44 13.521 1.854 10.275 1.00 1.00 C ATOM 677 CD LYS A 44 12.460 1.556 11.333 1.00 1.00 C ATOM 678 CE LYS A 44 11.414 0.574 10.792 1.00 1.00 C ATOM 679 NZ LYS A 44 10.303 0.434 11.780 1.00 1.00 N ATOM 0 H LYS A 44 14.246 0.782 7.678 1.00 1.00 H new ATOM 0 HA LYS A 44 16.068 2.062 9.510 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.980 -0.170 9.788 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.878 0.464 11.152 1.00 1.00 H new ATOM 0 HG2 LYS A 44 14.054 2.769 10.534 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.043 2.026 9.311 1.00 1.00 H new ATOM 0 HD2 LYS A 44 12.933 1.138 12.221 1.00 1.00 H new ATOM 0 HD3 LYS A 44 11.973 2.482 11.637 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.024 0.931 9.839 1.00 1.00 H new ATOM 0 HE3 LYS A 44 11.873 -0.397 10.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.594 -0.232 11.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.682 0.075 12.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 9.859 1.361 11.937 1.00 1.00 H new ATOM 802 N ALA A 52 17.072 8.307 -1.077 1.00 1.00 N ATOM 803 CA ALA A 52 16.414 7.010 -1.041 1.00 1.00 C ATOM 804 C ALA A 52 15.391 6.982 0.093 1.00 1.00 C ATOM 805 O ALA A 52 14.226 6.712 -0.132 1.00 1.00 O ATOM 806 CB ALA A 52 17.445 5.917 -0.796 1.00 1.00 C ATOM 0 HA ALA A 52 15.915 6.841 -1.995 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.948 4.947 -0.770 1.00 1.00 H new ATOM 0 HB2 ALA A 52 18.182 5.925 -1.599 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.944 6.095 0.157 1.00 1.00 H new ATOM 812 N LYS A 53 15.839 7.287 1.308 1.00 1.00 N ATOM 813 CA LYS A 53 14.935 7.283 2.462 1.00 1.00 C ATOM 814 C LYS A 53 13.721 8.167 2.192 1.00 1.00 C ATOM 815 O LYS A 53 12.581 7.745 2.385 1.00 1.00 O ATOM 816 CB LYS A 53 15.681 7.792 3.715 1.00 1.00 C ATOM 817 CG LYS A 53 16.208 6.610 4.539 1.00 1.00 C ATOM 818 CD LYS A 53 17.308 5.887 3.761 1.00 1.00 C ATOM 819 CE LYS A 53 18.216 5.134 4.732 1.00 1.00 C ATOM 820 NZ LYS A 53 17.429 4.083 5.433 1.00 1.00 N ATOM 0 H LYS A 53 16.805 7.536 1.521 1.00 1.00 H new ATOM 0 HA LYS A 53 14.594 6.262 2.633 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.510 8.434 3.417 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.011 8.398 4.324 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.598 6.965 5.493 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.395 5.920 4.764 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.865 5.191 3.048 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.892 6.605 3.185 1.00 1.00 H new ATOM 0 HE2 LYS A 53 19.048 4.681 4.192 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.645 5.826 5.457 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.534 4.199 6.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.425 4.171 5.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.777 3.144 5.153 1.00 1.00 H new ATOM 834 N GLU A 54 13.971 9.386 1.744 1.00 1.00 N ATOM 835 CA GLU A 54 12.887 10.309 1.458 1.00 1.00 C ATOM 836 C GLU A 54 11.913 9.671 0.482 1.00 1.00 C ATOM 837 O GLU A 54 10.700 9.834 0.608 1.00 1.00 O ATOM 838 CB GLU A 54 13.461 11.611 0.873 1.00 1.00 C ATOM 839 CG GLU A 54 13.772 12.596 2.000 1.00 1.00 C ATOM 840 CD GLU A 54 14.834 12.012 2.927 1.00 1.00 C ATOM 841 OE1 GLU A 54 15.984 11.965 2.524 1.00 1.00 O ATOM 842 OE2 GLU A 54 14.481 11.620 4.027 1.00 1.00 O ATOM 0 H GLU A 54 14.906 9.756 1.572 1.00 1.00 H new ATOM 0 HA GLU A 54 12.353 10.542 2.379 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.367 11.397 0.306 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.747 12.054 0.178 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.122 13.540 1.582 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.865 12.814 2.564 1.00 1.00 H new ATOM 849 N SER A 55 12.445 8.946 -0.490 1.00 1.00 N ATOM 850 CA SER A 55 11.594 8.295 -1.468 1.00 1.00 C ATOM 851 C SER A 55 10.689 7.278 -0.778 1.00 1.00 C ATOM 852 O SER A 55 9.501 7.193 -1.070 1.00 1.00 O ATOM 853 CB SER A 55 12.451 7.590 -2.527 1.00 1.00 C ATOM 854 OG SER A 55 11.606 6.995 -3.498 1.00 1.00 O ATOM 0 H SER A 55 13.445 8.796 -0.620 1.00 1.00 H new ATOM 0 HA SER A 55 10.977 9.051 -1.955 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.122 8.305 -3.002 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.076 6.830 -2.058 1.00 1.00 H new ATOM 0 HG SER A 55 12.153 6.546 -4.176 1.00 1.00 H new ATOM 860 N ILE A 56 11.262 6.495 0.128 1.00 1.00 N ATOM 861 CA ILE A 56 10.493 5.476 0.823 1.00 1.00 C ATOM 862 C ILE A 56 9.466 6.125 1.744 1.00 1.00 C ATOM 863 O ILE A 56 8.317 5.714 1.790 1.00 1.00 O ATOM 864 CB ILE A 56 11.434 4.598 1.658 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.662 4.207 0.834 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.707 3.323 2.079 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.244 3.719 -0.539 1.00 1.00 C ATOM 0 H ILE A 56 12.245 6.546 0.395 1.00 1.00 H new ATOM 0 HA ILE A 56 9.976 4.864 0.084 1.00 1.00 H new ATOM 0 HB ILE A 56 11.746 5.162 2.537 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.329 5.063 0.735 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.220 3.426 1.350 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.377 2.701 2.672 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.832 3.583 2.674 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.392 2.774 1.192 1.00 1.00 H new ATOM 0 HD11 ILE A 56 13.129 3.445 -1.113 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.596 2.849 -0.434 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.706 4.512 -1.059 1.00 1.00 H new ATOM 879 N ARG A 57 9.909 7.137 2.480 1.00 1.00 N ATOM 880 CA ARG A 57 9.029 7.838 3.408 1.00 1.00 C ATOM 881 C ARG A 57 7.878 8.513 2.662 1.00 1.00 C ATOM 882 O ARG A 57 6.744 8.541 3.147 1.00 1.00 O ATOM 883 CB ARG A 57 9.811 8.897 4.184 1.00 1.00 C ATOM 884 CG ARG A 57 10.826 8.211 5.098 1.00 1.00 C ATOM 885 CD ARG A 57 11.475 9.252 6.014 1.00 1.00 C ATOM 886 NE ARG A 57 12.479 8.623 6.866 1.00 1.00 N ATOM 887 CZ ARG A 57 12.988 9.263 7.915 1.00 1.00 C ATOM 888 NH1 ARG A 57 12.590 10.473 8.200 1.00 1.00 N ATOM 889 NH2 ARG A 57 13.887 8.680 8.661 1.00 1.00 N ATOM 0 H ARG A 57 10.866 7.489 2.453 1.00 1.00 H new ATOM 0 HA ARG A 57 8.622 7.102 4.102 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.322 9.567 3.492 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.129 9.509 4.774 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.333 7.443 5.694 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.589 7.711 4.501 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.937 10.036 5.414 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.713 9.729 6.630 1.00 1.00 H new ATOM 0 HE ARG A 57 12.796 7.677 6.654 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.888 10.929 7.618 1.00 1.00 H new ATOM 0 HH12 ARG A 57 12.981 10.962 9.005 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.199 7.734 8.439 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.278 9.170 9.466 1.00 1.00 H new ATOM 903 N ALA A 58 8.175 9.032 1.470 1.00 1.00 N ATOM 904 CA ALA A 58 7.155 9.691 0.654 1.00 1.00 C ATOM 905 C ALA A 58 6.152 8.667 0.105 1.00 1.00 C ATOM 906 O ALA A 58 4.935 8.813 0.228 1.00 1.00 O ATOM 907 CB ALA A 58 7.831 10.430 -0.503 1.00 1.00 C ATOM 0 H ALA A 58 9.105 9.009 1.051 1.00 1.00 H new ATOM 0 HA ALA A 58 6.611 10.402 1.277 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.073 10.922 -1.113 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.518 11.177 -0.106 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.384 9.718 -1.116 1.00 1.00 H new ATOM 913 N LYS A 59 6.666 7.619 -0.499 1.00 1.00 N ATOM 914 CA LYS A 59 5.801 6.586 -1.043 1.00 1.00 C ATOM 915 C LYS A 59 5.078 5.856 0.080 1.00 1.00 C ATOM 916 O LYS A 59 3.923 5.457 -0.062 1.00 1.00 O ATOM 917 CB LYS A 59 6.626 5.623 -1.887 1.00 1.00 C ATOM 918 CG LYS A 59 7.271 6.377 -3.065 1.00 1.00 C ATOM 919 CD LYS A 59 6.209 6.987 -3.993 1.00 1.00 C ATOM 920 CE LYS A 59 5.262 5.893 -4.490 1.00 1.00 C ATOM 921 NZ LYS A 59 4.651 6.319 -5.771 1.00 1.00 N ATOM 0 H LYS A 59 7.665 7.456 -0.627 1.00 1.00 H new ATOM 0 HA LYS A 59 5.045 7.044 -1.681 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.399 5.159 -1.274 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.992 4.820 -2.262 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.918 7.166 -2.682 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.903 5.694 -3.633 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.646 7.754 -3.461 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.691 7.475 -4.840 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.807 4.959 -4.627 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.486 5.704 -3.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 3.635 6.490 -5.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 5.107 7.194 -6.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 4.781 5.572 -6.483 1.00 1.00 H new ATOM 935 N CYS A 60 5.772 5.669 1.188 1.00 1.00 N ATOM 936 CA CYS A 60 5.193 4.977 2.328 1.00 1.00 C ATOM 937 C CYS A 60 3.908 5.669 2.767 1.00 1.00 C ATOM 938 O CYS A 60 2.868 5.025 2.920 1.00 1.00 O ATOM 939 CB CYS A 60 6.193 4.970 3.489 1.00 1.00 C ATOM 940 SG CYS A 60 7.341 3.589 3.288 1.00 1.00 S ATOM 0 H CYS A 60 6.732 5.984 1.324 1.00 1.00 H new ATOM 0 HA CYS A 60 4.963 3.952 2.038 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.741 5.912 3.516 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.664 4.882 4.438 1.00 1.00 H new ATOM 0 HG CYS A 60 8.052 3.769 2.215 1.00 1.00 H new ATOM 946 N VAL A 61 3.982 6.984 2.960 1.00 1.00 N ATOM 947 CA VAL A 61 2.808 7.745 3.374 1.00 1.00 C ATOM 948 C VAL A 61 1.722 7.685 2.303 1.00 1.00 C ATOM 949 O VAL A 61 0.531 7.753 2.609 1.00 1.00 O ATOM 950 CB VAL A 61 3.195 9.200 3.656 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.829 9.817 2.421 1.00 1.00 C ATOM 952 CG2 VAL A 61 1.948 9.996 4.028 1.00 1.00 C ATOM 0 H VAL A 61 4.830 7.537 2.838 1.00 1.00 H new ATOM 0 HA VAL A 61 2.413 7.301 4.288 1.00 1.00 H new ATOM 0 HB VAL A 61 3.909 9.224 4.479 1.00 1.00 H new ATOM 0 HG11 VAL A 61 4.101 10.852 2.630 1.00 1.00 H new ATOM 0 HG12 VAL A 61 4.723 9.254 2.151 1.00 1.00 H new ATOM 0 HG13 VAL A 61 3.119 9.789 1.595 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.224 11.031 4.229 1.00 1.00 H new ATOM 0 HG22 VAL A 61 1.236 9.963 3.203 1.00 1.00 H new ATOM 0 HG23 VAL A 61 1.492 9.563 4.918 1.00 1.00 H new ATOM 962 N GLN A 62 2.143 7.538 1.047 1.00 1.00 N ATOM 963 CA GLN A 62 1.187 7.444 -0.054 1.00 1.00 C ATOM 964 C GLN A 62 0.451 6.106 -0.011 1.00 1.00 C ATOM 965 O GLN A 62 -0.778 6.049 -0.140 1.00 1.00 O ATOM 966 CB GLN A 62 1.913 7.597 -1.391 1.00 1.00 C ATOM 967 CG GLN A 62 2.351 9.054 -1.567 1.00 1.00 C ATOM 968 CD GLN A 62 3.211 9.196 -2.816 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.864 8.671 -3.873 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.321 9.883 -2.758 1.00 1.00 N ATOM 0 H GLN A 62 3.123 7.482 0.770 1.00 1.00 H new ATOM 0 HA GLN A 62 0.457 8.247 0.051 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.781 6.938 -1.424 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.257 7.301 -2.210 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.475 9.698 -1.644 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.911 9.382 -0.691 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.607 10.317 -1.880 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.902 9.985 -3.590 1.00 1.00 H new ATOM 979 N TYR A 63 1.208 5.030 0.177 1.00 1.00 N ATOM 980 CA TYR A 63 0.617 3.702 0.237 1.00 1.00 C ATOM 981 C TYR A 63 -0.329 3.592 1.418 1.00 1.00 C ATOM 982 O TYR A 63 -1.456 3.117 1.274 1.00 1.00 O ATOM 983 CB TYR A 63 1.719 2.641 0.356 1.00 1.00 C ATOM 984 CG TYR A 63 2.626 2.666 -0.860 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.086 2.738 -2.148 1.00 1.00 C ATOM 986 CD2 TYR A 63 4.015 2.625 -0.697 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.920 2.778 -3.261 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.851 2.663 -1.815 1.00 1.00 C ATOM 989 CZ TYR A 63 4.303 2.746 -3.098 1.00 1.00 C ATOM 990 OH TYR A 63 5.123 2.783 -4.203 1.00 1.00 O ATOM 0 H TYR A 63 2.222 5.052 0.289 1.00 1.00 H new ATOM 0 HA TYR A 63 0.053 3.534 -0.680 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.306 2.820 1.257 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.269 1.653 0.459 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.014 2.763 -2.280 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.441 2.564 0.294 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.495 2.834 -4.252 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.923 2.628 -1.688 1.00 1.00 H new ATOM 0 HH TYR A 63 4.658 3.230 -4.941 1.00 1.00 H new ATOM 1000 N LEU A 64 0.129 4.025 2.585 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.709 3.949 3.769 1.00 1.00 C ATOM 1002 C LEU A 64 -1.974 4.760 3.575 1.00 1.00 C ATOM 1003 O LEU A 64 -3.070 4.263 3.814 1.00 1.00 O ATOM 1004 CB LEU A 64 0.067 4.474 4.985 1.00 1.00 C ATOM 1005 CG LEU A 64 0.786 3.325 5.692 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.807 3.895 6.681 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.233 2.433 6.438 1.00 1.00 C ATOM 0 H LEU A 64 1.056 4.424 2.734 1.00 1.00 H new ATOM 0 HA LEU A 64 -0.986 2.908 3.938 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.791 5.224 4.667 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.617 4.965 5.677 1.00 1.00 H new ATOM 0 HG LEU A 64 1.302 2.715 4.950 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.320 3.077 7.186 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.534 4.503 6.143 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.294 4.512 7.419 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.293 1.619 6.937 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.765 3.030 7.179 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -0.947 2.021 5.725 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.838 6.006 3.138 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.002 6.848 2.938 1.00 1.00 C ATOM 1021 C ASP A 65 -4.041 6.105 2.116 1.00 1.00 C ATOM 1022 O ASP A 65 -5.228 6.097 2.455 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.568 8.116 2.198 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.768 9.015 1.937 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.403 9.417 2.897 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.035 9.290 0.778 1.00 1.00 O ATOM 0 H ASP A 65 -0.945 6.448 2.919 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.439 7.110 3.902 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.825 8.653 2.788 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.093 7.849 1.254 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.595 5.467 1.042 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.514 4.712 0.204 1.00 1.00 C ATOM 1033 C ARG A 66 -5.154 3.591 1.024 1.00 1.00 C ATOM 1034 O ARG A 66 -6.354 3.339 0.938 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.757 4.131 -0.989 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.331 5.265 -1.934 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.503 5.696 -2.819 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.035 4.540 -3.532 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.060 4.660 -4.363 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.609 5.827 -4.554 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.519 3.611 -4.987 1.00 1.00 N ATOM 0 H ARG A 66 -2.622 5.457 0.735 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.300 5.371 -0.164 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.880 3.583 -0.644 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.388 3.419 -1.521 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.975 6.116 -1.353 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.500 4.934 -2.557 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.284 6.149 -2.209 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.174 6.454 -3.530 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.611 3.624 -3.388 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.249 6.646 -4.064 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.398 5.921 -5.193 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.089 2.699 -4.835 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.308 3.703 -5.627 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.341 2.903 1.805 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.842 1.808 2.625 1.00 1.00 C ATOM 1057 C ALA A 67 -5.873 2.328 3.628 1.00 1.00 C ATOM 1058 O ALA A 67 -6.855 1.651 3.933 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.679 1.150 3.379 1.00 1.00 C ATOM 0 H ALA A 67 -3.340 3.078 1.891 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.317 1.072 1.976 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.059 0.332 3.991 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.954 0.762 2.663 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.197 1.888 4.019 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.634 3.531 4.145 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.532 4.129 5.120 1.00 1.00 C ATOM 1067 C GLU A 68 -7.908 4.377 4.525 1.00 1.00 C ATOM 1068 O GLU A 68 -8.912 3.910 5.058 1.00 1.00 O ATOM 1069 CB GLU A 68 -5.952 5.461 5.604 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.722 5.207 6.473 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.061 6.531 6.849 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.578 7.564 6.454 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.046 6.493 7.526 1.00 1.00 O ATOM 0 H GLU A 68 -4.827 4.107 3.904 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.633 3.434 5.954 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.683 6.082 4.750 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.703 6.009 6.173 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.010 4.667 7.375 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.012 4.577 5.937 1.00 1.00 H new ATOM 1080 N LYS A 69 -7.952 5.113 3.422 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.226 5.413 2.787 1.00 1.00 C ATOM 1082 C LYS A 69 -9.918 4.125 2.344 1.00 1.00 C ATOM 1083 O LYS A 69 -11.140 4.005 2.419 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.010 6.341 1.587 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.194 5.620 0.532 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.907 6.551 -0.647 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.223 7.037 -1.264 1.00 1.00 C ATOM 1088 NZ LYS A 69 -8.988 7.465 -2.667 1.00 1.00 N ATOM 0 H LYS A 69 -7.135 5.507 2.956 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.867 5.917 3.510 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -9.971 6.647 1.173 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.495 7.248 1.903 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.256 5.270 0.964 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.733 4.739 0.185 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.316 7.404 -0.312 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.315 6.028 -1.398 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.966 6.240 -1.236 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.624 7.867 -0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -9.882 7.794 -3.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -8.293 8.239 -2.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -8.624 6.662 -3.219 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.119 3.166 1.875 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.665 1.901 1.405 1.00 1.00 C ATOM 1104 C LEU A 70 -10.410 1.201 2.520 1.00 1.00 C ATOM 1105 O LEU A 70 -11.550 0.774 2.354 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.534 1.001 0.877 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.117 1.470 -0.532 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.739 0.901 -0.879 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.144 0.987 -1.585 1.00 1.00 C ATOM 0 H LEU A 70 -8.104 3.243 1.812 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.364 2.103 0.594 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.679 1.040 1.552 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.867 -0.036 0.843 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.080 2.559 -0.539 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.448 1.235 -1.875 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.007 1.251 -0.151 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.779 -0.188 -0.858 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.837 1.325 -2.575 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.193 -0.102 -1.573 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.126 1.397 -1.350 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.771 1.133 3.660 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.360 0.525 4.838 1.00 1.00 C ATOM 1123 C LYS A 71 -11.450 1.418 5.417 1.00 1.00 C ATOM 1124 O LYS A 71 -12.330 0.947 6.150 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.295 0.279 5.905 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.881 -0.602 7.016 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.777 -1.013 7.994 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.079 0.234 8.540 1.00 1.00 C ATOM 1129 NZ LYS A 71 -9.101 1.273 8.851 1.00 1.00 N ATOM 0 H LYS A 71 -8.828 1.496 3.803 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.797 -0.427 4.537 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.425 -0.206 5.462 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -8.954 1.228 6.320 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.665 -0.061 7.546 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.343 -1.489 6.583 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.202 -1.592 8.814 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.054 -1.655 7.492 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.513 -0.016 9.437 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.366 0.616 7.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -8.725 1.927 9.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -9.332 1.803 7.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -9.961 0.816 9.217 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.390 2.715 5.118 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.360 3.664 5.654 1.00 1.00 C ATOM 1145 C ASP A 72 -13.770 3.433 5.114 1.00 1.00 C ATOM 1146 O ASP A 72 -14.720 3.215 5.874 1.00 1.00 O ATOM 1147 CB ASP A 72 -11.920 5.082 5.255 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.690 6.116 6.067 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.270 5.734 7.070 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.700 7.272 5.673 1.00 1.00 O ATOM 0 H ASP A 72 -10.683 3.129 4.511 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.391 3.531 6.735 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.849 5.200 5.423 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.095 5.240 4.191 1.00 1.00 H new ATOM 1155 N TYR A 73 -13.890 3.463 3.797 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.190 3.261 3.176 1.00 1.00 C ATOM 1157 C TYR A 73 -15.560 1.785 3.194 1.00 1.00 C ATOM 1158 O TYR A 73 -16.730 1.435 3.244 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.220 3.829 1.754 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.550 2.880 0.800 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.210 1.721 0.380 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.260 3.151 0.340 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.590 0.839 -0.490 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.650 2.270 -0.539 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.310 1.116 -0.952 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.680 0.243 -1.798 1.00 1.00 O ATOM 0 H TYR A 73 -13.120 3.622 3.147 1.00 1.00 H new ATOM 0 HA TYR A 73 -15.936 3.805 3.755 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.251 3.999 1.445 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.717 4.795 1.730 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.208 1.512 0.736 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.741 4.040 0.667 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.099 -0.059 -0.807 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.656 2.480 -0.906 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.346 -0.213 -2.353 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.550 0.921 3.161 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.810 -0.512 3.191 1.00 1.00 C ATOM 1178 C LEU A 74 -15.530 -0.870 4.486 1.00 1.00 C ATOM 1179 O LEU A 74 -16.530 -1.587 4.470 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.480 -1.269 3.118 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.040 -1.454 1.658 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.560 -1.944 1.600 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.980 -2.471 0.967 1.00 1.00 C ATOM 0 H LEU A 74 -13.565 1.181 3.114 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.434 -0.789 2.342 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.714 -0.722 3.667 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.583 -2.242 3.598 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.102 -0.500 1.134 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.259 -2.072 0.560 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.914 -1.207 2.077 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.471 -2.896 2.123 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.671 -2.605 -0.070 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.928 -3.427 1.488 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.004 -2.098 0.995 1.00 1.00 H new ATOM 1273 N PRO B 171 6.833 2.263 -7.561 1.00 1.00 N ATOM 1274 CA PRO B 171 5.571 2.406 -8.352 1.00 1.00 C ATOM 1275 C PRO B 171 4.656 3.481 -7.774 1.00 1.00 C ATOM 1276 O PRO B 171 4.851 3.938 -6.649 1.00 1.00 O ATOM 1277 CB PRO B 171 4.918 1.017 -8.260 1.00 1.00 C ATOM 1278 CG PRO B 171 5.489 0.407 -7.027 1.00 1.00 C ATOM 1279 CD PRO B 171 6.908 0.937 -6.923 1.00 1.00 C ATOM 0 HA PRO B 171 5.763 2.718 -9.379 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.833 1.094 -8.197 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.144 0.415 -9.140 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.904 0.680 -6.149 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.481 -0.681 -7.089 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.233 1.010 -5.885 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.617 0.286 -7.434 1.00 1.00 H new ATOM 1287 N GLU B 172 3.649 3.874 -8.556 1.00 1.00 N ATOM 1288 CA GLU B 172 2.692 4.892 -8.118 1.00 1.00 C ATOM 1289 C GLU B 172 1.301 4.288 -7.989 1.00 1.00 C ATOM 1290 O GLU B 172 0.789 3.670 -8.922 1.00 1.00 O ATOM 1291 CB GLU B 172 2.658 6.043 -9.121 1.00 1.00 C ATOM 1292 CG GLU B 172 1.755 7.155 -8.583 1.00 1.00 C ATOM 1293 CD GLU B 172 1.773 8.344 -9.536 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.655 8.391 -10.370 1.00 1.00 O ATOM 1295 OE2 GLU B 172 0.905 9.192 -9.409 1.00 1.00 O ATOM 0 H GLU B 172 3.475 3.505 -9.491 1.00 1.00 H new ATOM 0 HA GLU B 172 3.008 5.270 -7.145 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.665 6.425 -9.288 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.287 5.691 -10.084 1.00 1.00 H new ATOM 0 HG2 GLU B 172 0.736 6.785 -8.469 1.00 1.00 H new ATOM 0 HG3 GLU B 172 2.094 7.465 -7.595 1.00 1.00 H new ATOM 1302 N VAL B 173 0.702 4.463 -6.820 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.621 3.916 -6.572 1.00 1.00 C ATOM 1304 C VAL B 173 -1.594 4.319 -7.687 1.00 1.00 C ATOM 1305 O VAL B 173 -1.536 5.440 -8.194 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.154 4.411 -5.208 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.745 3.441 -4.084 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.565 5.790 -4.912 1.00 1.00 C ATOM 0 H VAL B 173 1.107 4.975 -6.036 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.543 2.829 -6.555 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.242 4.463 -5.253 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.129 3.806 -3.131 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.158 2.453 -4.288 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.342 3.377 -4.036 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.937 6.146 -3.951 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.522 5.722 -4.878 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.860 6.488 -5.696 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.489 3.435 -8.057 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.495 3.722 -9.121 1.00 1.00 C ATOM 1320 C PRO B 174 -4.610 4.633 -8.616 1.00 1.00 C ATOM 1321 O PRO B 174 -5.321 4.294 -7.669 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.034 2.332 -9.487 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.855 1.500 -8.259 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.630 2.059 -7.542 1.00 1.00 C ATOM 0 HA PRO B 174 -3.065 4.251 -9.972 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.083 2.382 -9.778 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.489 1.909 -10.331 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.737 1.552 -7.621 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.710 0.451 -8.517 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.767 2.053 -6.461 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.742 1.464 -7.754 1.00 1.00 H new