USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 611 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 32 GLN : amide:sc= -0.104 X(o=0.14,f=0) USER MOD Set 1.2: A 53 TYR OH : rot -0:sc= 0.244 USER MOD Set 2.1: A 45 HIS : no HD1:sc= -1.57 K(o=-1.5,f=-2.3!) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.0294 USER MOD Set 3.1: A 10 TYR OH : rot -178:sc= 1.29 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.827 K(o=2.1,f=-7!) USER MOD Single : A 4 LYS NZ :NH3+ -113:sc= 1.32 (180deg=-0.325!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.153 USER MOD Single : A 8 SER OG : rot -31:sc= 0.304 USER MOD Single : A 11 THR OG1 : rot -78:sc= 0.397 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= 1.02 (180deg=-4.89!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 2.95 (180deg=2.95) USER MOD Single : A 24 ASN : amide:sc= 0.552 K(o=0.55,f=-0.13) USER MOD Single : A 25 CYS SG : rot 3:sc=-0.00727 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.429 (180deg=-0.723) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 3.13 (180deg=1.87) USER MOD Single : A 35 ASN : amide:sc= -5.8! C(o=-5.8!,f=-6.7!) USER MOD Single : A 41 SER OG : rot 104:sc= 1.22 USER MOD Single : A 43 THR OG1 : rot 123:sc= 1.25 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.419 X(o=0.42,f=-0.076) USER MOD Single : A 59 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.1!) USER MOD Single : A 62 SER OG : rot 55:sc= 0.663 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 0.901 (180deg=-0.179) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.19) USER MOD Single : A 77 ASN : amide:sc= 0.535 K(o=0.53,f=-0.0051) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= 0.378 (180deg=-0.68) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.904 4.525 -1.631 1.00 0.00 N ATOM 34 CA LEU A 3 11.468 4.552 -1.736 1.00 0.00 C ATOM 35 C LEU A 3 10.947 5.987 -1.602 1.00 0.00 C ATOM 36 O LEU A 3 11.608 6.850 -1.016 1.00 0.00 O ATOM 37 CB LEU A 3 10.801 3.619 -0.713 1.00 0.00 C ATOM 38 CG LEU A 3 11.136 2.120 -0.850 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.405 1.332 0.238 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.745 1.559 -2.225 1.00 0.00 C ATOM 0 HA LEU A 3 11.201 4.180 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.086 3.945 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.720 3.739 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 3 12.216 2.016 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.642 0.272 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.722 1.686 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.330 1.475 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.001 0.501 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.672 1.680 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.284 2.098 -3.004 1.00 0.00 H new ATOM 52 N LYS A 4 9.751 6.260 -2.135 1.00 0.00 N ATOM 53 CA LYS A 4 9.214 7.611 -2.117 1.00 0.00 C ATOM 54 C LYS A 4 8.943 8.045 -0.692 1.00 0.00 C ATOM 55 O LYS A 4 8.417 7.275 0.103 1.00 0.00 O ATOM 56 CB LYS A 4 7.929 7.770 -2.925 1.00 0.00 C ATOM 57 CG LYS A 4 8.053 7.542 -4.429 1.00 0.00 C ATOM 58 CD LYS A 4 8.243 6.107 -4.933 1.00 0.00 C ATOM 59 CE LYS A 4 7.357 5.861 -6.163 1.00 0.00 C ATOM 60 NZ LYS A 4 7.525 6.854 -7.254 1.00 0.00 N ATOM 0 H LYS A 4 9.148 5.567 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 4 9.974 8.239 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.187 7.075 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.542 8.776 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.157 7.944 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.895 8.134 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.289 5.938 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.989 5.399 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.573 4.868 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.313 5.859 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.653 7.412 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.318 7.488 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.722 6.359 -8.147 1.00 0.00 H new ATOM 74 N ASN A 5 9.187 9.323 -0.412 1.00 0.00 N ATOM 75 CA ASN A 5 8.820 9.907 0.868 1.00 0.00 C ATOM 76 C ASN A 5 7.325 10.211 0.954 1.00 0.00 C ATOM 77 O ASN A 5 6.887 10.633 2.022 1.00 0.00 O ATOM 78 CB ASN A 5 9.629 11.185 1.150 1.00 0.00 C ATOM 79 CG ASN A 5 11.133 10.953 1.168 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.862 11.588 0.418 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.629 10.043 1.991 1.00 0.00 N ATOM 0 H ASN A 5 9.638 9.971 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 5 9.057 9.162 1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.392 11.931 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.320 11.598 2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.633 9.862 2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.008 9.522 2.610 1.00 0.00 H new ATOM 88 N SER A 6 6.515 10.093 -0.114 1.00 0.00 N ATOM 89 CA SER A 6 5.087 10.328 0.015 1.00 0.00 C ATOM 90 C SER A 6 4.274 9.561 -1.017 1.00 0.00 C ATOM 91 O SER A 6 4.733 9.331 -2.137 1.00 0.00 O ATOM 92 CB SER A 6 4.817 11.814 -0.188 1.00 0.00 C ATOM 93 OG SER A 6 5.636 12.651 0.605 1.00 0.00 O ATOM 0 H SER A 6 6.827 9.841 -1.052 1.00 0.00 H new ATOM 0 HA SER A 6 4.788 9.988 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.968 12.062 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.771 12.020 0.041 1.00 0.00 H new ATOM 0 HG SER A 6 5.415 13.589 0.427 1.00 0.00 H new ATOM 99 N ILE A 7 3.012 9.298 -0.673 1.00 0.00 N ATOM 100 CA ILE A 7 2.004 8.721 -1.558 1.00 0.00 C ATOM 101 C ILE A 7 1.867 9.544 -2.838 1.00 0.00 C ATOM 102 O ILE A 7 1.718 8.959 -3.900 1.00 0.00 O ATOM 103 CB ILE A 7 0.667 8.556 -0.791 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.583 7.154 -0.154 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.602 8.871 -1.592 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.027 6.014 -0.946 1.00 0.00 C ATOM 0 H ILE A 7 2.653 9.488 0.263 1.00 0.00 H new ATOM 0 HA ILE A 7 2.319 7.727 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 7 0.692 9.322 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.596 6.858 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.017 7.249 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.477 8.723 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.570 9.906 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.661 8.208 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.005 5.103 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.059 6.258 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.544 5.861 -1.862 1.00 0.00 H new ATOM 118 N SER A 8 1.934 10.875 -2.791 1.00 0.00 N ATOM 119 CA SER A 8 1.738 11.649 -4.012 1.00 0.00 C ATOM 120 C SER A 8 2.946 11.575 -4.952 1.00 0.00 C ATOM 121 O SER A 8 2.815 12.038 -6.091 1.00 0.00 O ATOM 122 CB SER A 8 1.370 13.098 -3.659 1.00 0.00 C ATOM 123 OG SER A 8 0.985 13.825 -4.808 1.00 0.00 O ATOM 0 H SER A 8 2.116 11.423 -1.950 1.00 0.00 H new ATOM 0 HA SER A 8 0.908 11.206 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.556 13.102 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.222 13.587 -3.185 1.00 0.00 H new ATOM 0 HG SER A 8 1.472 13.486 -5.588 1.00 0.00 H new ATOM 129 N ASP A 9 4.091 11.007 -4.538 1.00 0.00 N ATOM 130 CA ASP A 9 5.082 10.607 -5.530 1.00 0.00 C ATOM 131 C ASP A 9 4.865 9.174 -6.006 1.00 0.00 C ATOM 132 O ASP A 9 5.236 8.844 -7.135 1.00 0.00 O ATOM 133 CB ASP A 9 6.538 10.760 -5.096 1.00 0.00 C ATOM 134 CG ASP A 9 7.359 10.640 -6.399 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.157 11.503 -7.287 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.005 9.590 -6.613 1.00 0.00 O ATOM 0 H ASP A 9 4.340 10.824 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 9 4.918 11.312 -6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.706 11.721 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.819 9.988 -4.380 1.00 0.00 H new ATOM 141 N TYR A 10 4.219 8.330 -5.198 1.00 0.00 N ATOM 142 CA TYR A 10 3.731 7.065 -5.685 1.00 0.00 C ATOM 143 C TYR A 10 2.720 7.355 -6.794 1.00 0.00 C ATOM 144 O TYR A 10 2.149 8.441 -6.918 1.00 0.00 O ATOM 145 CB TYR A 10 3.160 6.225 -4.524 1.00 0.00 C ATOM 146 CG TYR A 10 4.191 5.406 -3.780 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.533 4.154 -4.306 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.799 5.847 -2.585 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.533 3.370 -3.720 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.812 5.063 -1.997 1.00 0.00 C ATOM 151 CZ TYR A 10 6.203 3.837 -2.577 1.00 0.00 C ATOM 152 OH TYR A 10 7.242 3.122 -2.080 1.00 0.00 O ATOM 0 H TYR A 10 4.029 8.510 -4.212 1.00 0.00 H new ATOM 0 HA TYR A 10 4.533 6.459 -6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.665 6.892 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.396 5.554 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.015 3.787 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.491 6.775 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.789 2.410 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.294 5.404 -1.093 1.00 0.00 H new ATOM 0 HH TYR A 10 7.581 3.558 -1.270 1.00 0.00 H new ATOM 162 N THR A 11 2.484 6.348 -7.608 1.00 0.00 N ATOM 163 CA THR A 11 1.469 6.205 -8.604 1.00 0.00 C ATOM 164 C THR A 11 0.630 5.028 -8.139 1.00 0.00 C ATOM 165 O THR A 11 1.047 4.237 -7.284 1.00 0.00 O ATOM 166 CB THR A 11 2.122 5.926 -9.966 1.00 0.00 C ATOM 167 OG1 THR A 11 2.962 4.815 -9.854 1.00 0.00 O ATOM 168 CG2 THR A 11 3.000 7.061 -10.476 1.00 0.00 C ATOM 0 H THR A 11 3.075 5.518 -7.574 1.00 0.00 H new ATOM 0 HA THR A 11 0.860 7.101 -8.726 1.00 0.00 H new ATOM 0 HB THR A 11 1.295 5.781 -10.661 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.801 5.081 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.424 6.787 -11.442 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.400 7.964 -10.586 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.805 7.245 -9.765 1.00 0.00 H new ATOM 176 N GLU A 12 -0.538 4.901 -8.747 1.00 0.00 N ATOM 177 CA GLU A 12 -1.411 3.762 -8.450 1.00 0.00 C ATOM 178 C GLU A 12 -0.695 2.420 -8.675 1.00 0.00 C ATOM 179 O GLU A 12 -0.899 1.463 -7.927 1.00 0.00 O ATOM 180 CB GLU A 12 -2.719 3.833 -9.269 1.00 0.00 C ATOM 181 CG GLU A 12 -3.940 3.654 -8.356 1.00 0.00 C ATOM 182 CD GLU A 12 -5.145 2.967 -9.006 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.008 1.771 -9.354 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.231 3.597 -9.037 1.00 0.00 O ATOM 0 H GLU A 12 -0.905 5.556 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.669 3.822 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.781 4.792 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.716 3.059 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.639 3.075 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.251 4.635 -7.996 1.00 0.00 H new ATOM 191 N THR A 13 0.156 2.343 -9.699 1.00 0.00 N ATOM 192 CA THR A 13 0.815 1.105 -10.083 1.00 0.00 C ATOM 193 C THR A 13 2.088 0.883 -9.255 1.00 0.00 C ATOM 194 O THR A 13 2.367 -0.257 -8.900 1.00 0.00 O ATOM 195 CB THR A 13 1.126 1.151 -11.590 1.00 0.00 C ATOM 196 OG1 THR A 13 0.052 1.743 -12.306 1.00 0.00 O ATOM 197 CG2 THR A 13 1.384 -0.240 -12.174 1.00 0.00 C ATOM 0 H THR A 13 0.405 3.141 -10.283 1.00 0.00 H new ATOM 0 HA THR A 13 0.153 0.262 -9.882 1.00 0.00 H new ATOM 0 HB THR A 13 2.031 1.749 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.269 1.765 -13.262 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.599 -0.153 -13.239 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.236 -0.695 -11.668 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.502 -0.864 -12.031 1.00 0.00 H new ATOM 205 N GLU A 14 2.854 1.919 -8.891 1.00 0.00 N ATOM 206 CA GLU A 14 3.988 1.737 -7.994 1.00 0.00 C ATOM 207 C GLU A 14 3.523 1.301 -6.612 1.00 0.00 C ATOM 208 O GLU A 14 4.189 0.464 -6.003 1.00 0.00 O ATOM 209 CB GLU A 14 4.779 3.033 -7.873 1.00 0.00 C ATOM 210 CG GLU A 14 5.512 3.352 -9.178 1.00 0.00 C ATOM 211 CD GLU A 14 6.142 4.740 -9.091 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.375 5.700 -8.839 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.378 4.879 -9.174 1.00 0.00 O ATOM 0 H GLU A 14 2.707 2.879 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 14 4.625 0.959 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.106 3.852 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.499 2.949 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.282 2.604 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.816 3.310 -10.016 1.00 0.00 H new ATOM 220 N PHE A 15 2.392 1.825 -6.115 1.00 0.00 N ATOM 221 CA PHE A 15 1.894 1.347 -4.838 1.00 0.00 C ATOM 222 C PHE A 15 1.454 -0.103 -4.980 1.00 0.00 C ATOM 223 O PHE A 15 1.721 -0.898 -4.097 1.00 0.00 O ATOM 224 CB PHE A 15 0.771 2.234 -4.301 1.00 0.00 C ATOM 225 CG PHE A 15 0.742 2.268 -2.783 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.752 2.979 -2.117 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.257 1.629 -2.021 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.738 3.099 -0.723 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.262 1.748 -0.618 1.00 0.00 C ATOM 230 CZ PHE A 15 0.727 2.501 0.039 1.00 0.00 C ATOM 0 H PHE A 15 1.832 2.550 -6.564 1.00 0.00 H new ATOM 0 HA PHE A 15 2.698 1.398 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.897 3.247 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.187 1.870 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.547 3.438 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.021 1.046 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.517 3.660 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.032 1.257 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.707 2.616 1.113 1.00 0.00 H new ATOM 240 N LYS A 16 0.874 -0.502 -6.116 1.00 0.00 N ATOM 241 CA LYS A 16 0.657 -1.908 -6.409 1.00 0.00 C ATOM 242 C LYS A 16 1.966 -2.641 -6.288 1.00 0.00 C ATOM 243 O LYS A 16 1.960 -3.596 -5.550 1.00 0.00 O ATOM 244 CB LYS A 16 0.150 -2.026 -7.859 1.00 0.00 C ATOM 245 CG LYS A 16 -1.083 -2.898 -8.020 1.00 0.00 C ATOM 246 CD LYS A 16 -2.297 -2.025 -7.722 1.00 0.00 C ATOM 247 CE LYS A 16 -2.728 -1.168 -8.928 1.00 0.00 C ATOM 248 NZ LYS A 16 -4.142 -0.744 -8.861 1.00 0.00 N ATOM 0 H LYS A 16 0.549 0.135 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.069 -2.333 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.073 -1.028 -8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.950 -2.430 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.139 -3.302 -9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.044 -3.748 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.129 -2.660 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.070 -1.371 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.092 -0.285 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.568 -1.735 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.702 -1.294 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.508 -0.907 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.212 0.268 -9.091 1.00 0.00 H new ATOM 262 N LYS A 17 3.064 -2.235 -6.929 1.00 0.00 N ATOM 263 CA LYS A 17 4.280 -3.026 -6.907 1.00 0.00 C ATOM 264 C LYS A 17 4.673 -3.364 -5.469 1.00 0.00 C ATOM 265 O LYS A 17 4.999 -4.519 -5.231 1.00 0.00 O ATOM 266 CB LYS A 17 5.389 -2.267 -7.656 1.00 0.00 C ATOM 267 CG LYS A 17 6.381 -3.134 -8.446 1.00 0.00 C ATOM 268 CD LYS A 17 7.080 -4.271 -7.674 1.00 0.00 C ATOM 269 CE LYS A 17 6.365 -5.605 -7.937 1.00 0.00 C ATOM 270 NZ LYS A 17 6.295 -6.496 -6.765 1.00 0.00 N ATOM 0 H LYS A 17 3.129 -1.369 -7.464 1.00 0.00 H new ATOM 0 HA LYS A 17 4.118 -3.976 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.920 -1.566 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.950 -1.675 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.850 -3.573 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.150 -2.480 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.123 -4.342 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.076 -4.052 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.352 -5.399 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.878 -6.126 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.799 -7.373 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.258 -6.725 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.779 -6.020 -5.998 1.00 0.00 H new ATOM 284 N ILE A 18 4.606 -2.416 -4.527 1.00 0.00 N ATOM 285 CA ILE A 18 4.886 -2.686 -3.112 1.00 0.00 C ATOM 286 C ILE A 18 3.876 -3.679 -2.541 1.00 0.00 C ATOM 287 O ILE A 18 4.242 -4.716 -1.995 1.00 0.00 O ATOM 288 CB ILE A 18 5.026 -1.367 -2.321 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.299 -1.550 -1.463 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.855 -0.774 -1.517 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.513 -0.490 -0.399 1.00 0.00 C ATOM 0 H ILE A 18 4.358 -1.446 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 18 5.853 -3.179 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 18 5.063 -0.582 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.255 -2.526 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.166 -1.560 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.173 0.153 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.020 -0.570 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.541 -1.485 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.430 -0.705 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.594 0.489 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.669 -0.491 0.291 1.00 0.00 H new ATOM 303 N ILE A 19 2.599 -3.370 -2.738 1.00 0.00 N ATOM 304 CA ILE A 19 1.463 -4.076 -2.153 1.00 0.00 C ATOM 305 C ILE A 19 1.295 -5.503 -2.736 1.00 0.00 C ATOM 306 O ILE A 19 0.788 -6.430 -2.104 1.00 0.00 O ATOM 307 CB ILE A 19 0.253 -3.128 -2.320 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.333 -1.858 -1.438 1.00 0.00 C ATOM 309 CG2 ILE A 19 -1.114 -3.727 -2.069 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.680 -2.062 0.033 1.00 0.00 C ATOM 0 H ILE A 19 2.315 -2.591 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 19 1.598 -4.288 -1.092 1.00 0.00 H new ATOM 0 HB ILE A 19 0.340 -2.891 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.076 -1.189 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.628 -1.346 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.878 -2.964 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.283 -4.550 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.166 -4.098 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.704 -1.097 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.073 -2.697 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.657 -2.538 0.114 1.00 0.00 H new ATOM 322 N GLU A 20 1.762 -5.726 -3.948 1.00 0.00 N ATOM 323 CA GLU A 20 1.902 -6.961 -4.639 1.00 0.00 C ATOM 324 C GLU A 20 3.064 -7.738 -4.061 1.00 0.00 C ATOM 325 O GLU A 20 2.902 -8.910 -3.747 1.00 0.00 O ATOM 326 CB GLU A 20 2.209 -6.494 -6.060 1.00 0.00 C ATOM 327 CG GLU A 20 2.267 -7.544 -7.133 1.00 0.00 C ATOM 328 CD GLU A 20 3.340 -7.169 -8.159 1.00 0.00 C ATOM 329 OE1 GLU A 20 3.192 -6.125 -8.833 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.391 -7.848 -8.155 1.00 0.00 O ATOM 0 H GLU A 20 2.085 -4.948 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 20 1.035 -7.619 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.453 -5.762 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.167 -5.974 -6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.493 -8.516 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.297 -7.633 -7.622 1.00 0.00 H new ATOM 337 N ASP A 21 4.222 -7.088 -3.938 1.00 0.00 N ATOM 338 CA ASP A 21 5.470 -7.712 -3.490 1.00 0.00 C ATOM 339 C ASP A 21 5.234 -8.507 -2.214 1.00 0.00 C ATOM 340 O ASP A 21 5.616 -9.672 -2.116 1.00 0.00 O ATOM 341 CB ASP A 21 6.576 -6.675 -3.255 1.00 0.00 C ATOM 342 CG ASP A 21 7.904 -7.228 -3.737 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.192 -7.025 -4.941 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.606 -7.861 -2.927 1.00 0.00 O ATOM 0 H ASP A 21 4.322 -6.095 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 21 5.801 -8.382 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.341 -5.752 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.637 -6.427 -2.195 1.00 0.00 H new ATOM 349 N ILE A 22 4.508 -7.883 -1.286 1.00 0.00 N ATOM 350 CA ILE A 22 4.044 -8.485 -0.053 1.00 0.00 C ATOM 351 C ILE A 22 3.051 -9.617 -0.250 1.00 0.00 C ATOM 352 O ILE A 22 3.266 -10.694 0.285 1.00 0.00 O ATOM 353 CB ILE A 22 3.452 -7.423 0.873 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.355 -6.501 0.336 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.621 -6.574 1.385 1.00 0.00 C ATOM 356 CD1 ILE A 22 1.954 -5.337 1.246 1.00 0.00 C ATOM 0 H ILE A 22 4.221 -6.909 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 22 4.926 -8.932 0.406 1.00 0.00 H new ATOM 0 HB ILE A 22 2.920 -7.990 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.686 -6.093 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.468 -7.102 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.243 -5.800 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.322 -7.209 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.130 -6.109 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.171 -4.752 0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.584 -5.727 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.821 -4.702 1.428 1.00 0.00 H new ATOM 368 N ILE A 23 1.948 -9.376 -0.949 1.00 0.00 N ATOM 369 CA ILE A 23 0.941 -10.426 -1.175 1.00 0.00 C ATOM 370 C ILE A 23 1.531 -11.691 -1.844 1.00 0.00 C ATOM 371 O ILE A 23 1.076 -12.797 -1.561 1.00 0.00 O ATOM 372 CB ILE A 23 -0.250 -9.825 -1.951 1.00 0.00 C ATOM 373 CG1 ILE A 23 -1.062 -8.830 -1.078 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.215 -10.871 -2.538 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.828 -9.426 0.114 1.00 0.00 C ATOM 0 H ILE A 23 1.722 -8.474 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 23 0.578 -10.779 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 23 0.213 -9.301 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.377 -8.073 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.778 -8.318 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.023 -10.365 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.675 -11.515 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.632 -11.475 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.354 -8.631 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.549 -10.160 -0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.126 -9.910 0.792 1.00 0.00 H new ATOM 387 N ASN A 24 2.519 -11.566 -2.737 1.00 0.00 N ATOM 388 CA ASN A 24 3.265 -12.628 -3.376 1.00 0.00 C ATOM 389 C ASN A 24 4.377 -13.178 -2.488 1.00 0.00 C ATOM 390 O ASN A 24 4.898 -14.265 -2.727 1.00 0.00 O ATOM 391 CB ASN A 24 3.943 -11.919 -4.535 1.00 0.00 C ATOM 392 CG ASN A 24 3.051 -11.752 -5.726 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.127 -12.448 -6.730 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.220 -10.749 -5.622 1.00 0.00 N ATOM 0 H ASN A 24 2.833 -10.646 -3.047 1.00 0.00 H new ATOM 0 HA ASN A 24 2.611 -13.461 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.284 -10.938 -4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.829 -12.482 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.599 -10.518 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.192 -10.197 -4.765 1.00 0.00 H new ATOM 401 N CYS A 25 4.750 -12.338 -1.532 1.00 0.00 N ATOM 402 CA CYS A 25 5.755 -12.461 -0.475 1.00 0.00 C ATOM 403 C CYS A 25 7.112 -12.953 -0.983 1.00 0.00 C ATOM 404 O CYS A 25 7.660 -13.952 -0.510 1.00 0.00 O ATOM 405 CB CYS A 25 5.217 -13.188 0.777 1.00 0.00 C ATOM 406 SG CYS A 25 4.474 -14.817 0.458 1.00 0.00 S ATOM 0 H CYS A 25 4.293 -11.428 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 25 5.967 -11.450 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.035 -13.311 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.472 -12.553 1.256 1.00 0.00 H new ATOM 0 HG CYS A 25 4.591 -15.108 -0.804 1.00 0.00 H new ATOM 412 N GLU A 26 7.699 -12.212 -1.926 1.00 0.00 N ATOM 413 CA GLU A 26 8.988 -12.490 -2.492 1.00 0.00 C ATOM 414 C GLU A 26 10.115 -12.393 -1.445 1.00 0.00 C ATOM 415 O GLU A 26 10.669 -11.315 -1.209 1.00 0.00 O ATOM 416 CB GLU A 26 9.229 -11.561 -3.699 1.00 0.00 C ATOM 417 CG GLU A 26 10.421 -12.088 -4.508 1.00 0.00 C ATOM 418 CD GLU A 26 11.276 -11.014 -5.204 1.00 0.00 C ATOM 419 OE1 GLU A 26 11.848 -10.159 -4.483 1.00 0.00 O ATOM 420 OE2 GLU A 26 11.435 -11.109 -6.441 1.00 0.00 O ATOM 0 H GLU A 26 7.262 -11.378 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 26 9.001 -13.522 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.338 -11.520 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.426 -10.545 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.064 -12.664 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.048 -12.777 -5.265 1.00 0.00 H new ATOM 427 N GLY A 27 10.489 -13.522 -0.839 1.00 0.00 N ATOM 428 CA GLY A 27 11.789 -13.673 -0.202 1.00 0.00 C ATOM 429 C GLY A 27 11.793 -14.122 1.249 1.00 0.00 C ATOM 430 O GLY A 27 12.292 -15.206 1.542 1.00 0.00 O ATOM 0 H GLY A 27 9.898 -14.351 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.370 -14.391 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.310 -12.718 -0.263 1.00 0.00 H new ATOM 434 N ASP A 28 11.360 -13.260 2.167 1.00 0.00 N ATOM 435 CA ASP A 28 11.679 -13.306 3.568 1.00 0.00 C ATOM 436 C ASP A 28 10.658 -12.379 4.224 1.00 0.00 C ATOM 437 O ASP A 28 10.290 -11.340 3.683 1.00 0.00 O ATOM 438 CB ASP A 28 13.115 -12.773 3.727 1.00 0.00 C ATOM 439 CG ASP A 28 13.666 -12.818 5.149 1.00 0.00 C ATOM 440 OD1 ASP A 28 13.041 -12.251 6.071 1.00 0.00 O ATOM 441 OD2 ASP A 28 14.822 -13.257 5.346 1.00 0.00 O ATOM 0 H ASP A 28 10.749 -12.479 1.929 1.00 0.00 H new ATOM 0 HA ASP A 28 11.637 -14.300 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.775 -13.351 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.145 -11.742 3.374 1.00 0.00 H new ATOM 446 N GLU A 29 10.198 -12.777 5.389 1.00 0.00 N ATOM 447 CA GLU A 29 9.334 -12.060 6.329 1.00 0.00 C ATOM 448 C GLU A 29 9.739 -10.600 6.454 1.00 0.00 C ATOM 449 O GLU A 29 8.890 -9.722 6.339 1.00 0.00 O ATOM 450 CB GLU A 29 9.387 -12.759 7.704 1.00 0.00 C ATOM 451 CG GLU A 29 8.977 -14.244 7.692 1.00 0.00 C ATOM 452 CD GLU A 29 9.418 -14.968 8.974 1.00 0.00 C ATOM 453 OE1 GLU A 29 10.645 -15.171 9.127 1.00 0.00 O ATOM 454 OE2 GLU A 29 8.532 -15.337 9.776 1.00 0.00 O ATOM 0 H GLU A 29 10.438 -13.702 5.747 1.00 0.00 H new ATOM 0 HA GLU A 29 8.313 -12.080 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.401 -12.680 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.735 -12.223 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.895 -14.322 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.419 -14.736 6.826 1.00 0.00 H new ATOM 461 N LYS A 30 11.028 -10.333 6.634 1.00 0.00 N ATOM 462 CA LYS A 30 11.597 -9.007 6.753 1.00 0.00 C ATOM 463 C LYS A 30 11.394 -8.114 5.548 1.00 0.00 C ATOM 464 O LYS A 30 11.321 -6.904 5.672 1.00 0.00 O ATOM 465 CB LYS A 30 13.079 -9.181 7.032 1.00 0.00 C ATOM 466 CG LYS A 30 13.228 -9.814 8.429 1.00 0.00 C ATOM 467 CD LYS A 30 14.661 -9.825 8.980 1.00 0.00 C ATOM 468 CE LYS A 30 15.301 -11.215 8.844 1.00 0.00 C ATOM 469 NZ LYS A 30 15.300 -11.687 7.447 1.00 0.00 N ATOM 0 H LYS A 30 11.730 -11.070 6.703 1.00 0.00 H new ATOM 0 HA LYS A 30 11.075 -8.495 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.538 -9.817 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.590 -8.219 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.589 -9.274 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.861 -10.840 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.264 -9.091 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.652 -9.528 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.325 -11.181 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.760 -11.926 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.965 -12.481 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.343 -12.002 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.591 -10.911 6.818 1.00 0.00 H new ATOM 483 N LYS A 31 11.349 -8.699 4.371 1.00 0.00 N ATOM 484 CA LYS A 31 11.029 -8.050 3.133 1.00 0.00 C ATOM 485 C LYS A 31 9.587 -7.533 3.168 1.00 0.00 C ATOM 486 O LYS A 31 9.331 -6.438 2.679 1.00 0.00 O ATOM 487 CB LYS A 31 11.288 -9.089 2.039 1.00 0.00 C ATOM 488 CG LYS A 31 11.867 -8.560 0.738 1.00 0.00 C ATOM 489 CD LYS A 31 10.930 -7.682 -0.104 1.00 0.00 C ATOM 490 CE LYS A 31 11.443 -7.615 -1.552 1.00 0.00 C ATOM 491 NZ LYS A 31 11.022 -8.798 -2.329 1.00 0.00 N ATOM 0 H LYS A 31 11.546 -9.693 4.253 1.00 0.00 H new ATOM 0 HA LYS A 31 11.639 -7.167 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.968 -9.843 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.348 -9.594 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.763 -7.984 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.181 -9.409 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.919 -8.090 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.877 -6.679 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.067 -6.711 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.531 -7.547 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.715 -8.983 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.966 -9.624 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.089 -8.621 -2.752 1.00 0.00 H new ATOM 505 N GLN A 32 8.651 -8.290 3.757 1.00 0.00 N ATOM 506 CA GLN A 32 7.330 -7.763 4.070 1.00 0.00 C ATOM 507 C GLN A 32 7.446 -6.699 5.154 1.00 0.00 C ATOM 508 O GLN A 32 6.806 -5.670 5.014 1.00 0.00 O ATOM 509 CB GLN A 32 6.351 -8.838 4.573 1.00 0.00 C ATOM 510 CG GLN A 32 6.481 -10.242 3.976 1.00 0.00 C ATOM 511 CD GLN A 32 5.490 -11.174 4.672 1.00 0.00 C ATOM 512 OE1 GLN A 32 4.462 -11.561 4.129 1.00 0.00 O ATOM 513 NE2 GLN A 32 5.742 -11.508 5.930 1.00 0.00 N ATOM 0 H GLN A 32 8.790 -9.265 4.023 1.00 0.00 H new ATOM 0 HA GLN A 32 6.938 -7.354 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.466 -8.919 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.337 -8.485 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.283 -10.215 2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.498 -10.612 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.598 -11.186 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.080 -12.087 6.446 1.00 0.00 H new ATOM 522 N ASP A 33 8.196 -6.950 6.233 1.00 0.00 N ATOM 523 CA ASP A 33 8.358 -5.993 7.355 1.00 0.00 C ATOM 524 C ASP A 33 8.799 -4.608 6.871 1.00 0.00 C ATOM 525 O ASP A 33 8.273 -3.582 7.300 1.00 0.00 O ATOM 526 CB ASP A 33 9.390 -6.535 8.356 1.00 0.00 C ATOM 527 CG ASP A 33 9.273 -5.974 9.776 1.00 0.00 C ATOM 528 OD1 ASP A 33 8.129 -5.858 10.269 1.00 0.00 O ATOM 529 OD2 ASP A 33 10.344 -5.802 10.406 1.00 0.00 O ATOM 0 H ASP A 33 8.712 -7.821 6.362 1.00 0.00 H new ATOM 0 HA ASP A 33 7.386 -5.886 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.294 -7.620 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.389 -6.319 7.977 1.00 0.00 H new ATOM 534 N ASP A 34 9.721 -4.597 5.910 1.00 0.00 N ATOM 535 CA ASP A 34 10.284 -3.401 5.288 1.00 0.00 C ATOM 536 C ASP A 34 9.196 -2.636 4.529 1.00 0.00 C ATOM 537 O ASP A 34 8.980 -1.444 4.761 1.00 0.00 O ATOM 538 CB ASP A 34 11.442 -3.814 4.361 1.00 0.00 C ATOM 539 CG ASP A 34 12.076 -2.650 3.589 1.00 0.00 C ATOM 540 OD1 ASP A 34 13.075 -2.091 4.099 1.00 0.00 O ATOM 541 OD2 ASP A 34 11.641 -2.405 2.440 1.00 0.00 O ATOM 0 H ASP A 34 10.112 -5.458 5.528 1.00 0.00 H new ATOM 0 HA ASP A 34 10.676 -2.732 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.213 -4.303 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.076 -4.552 3.647 1.00 0.00 H new ATOM 546 N ASN A 35 8.415 -3.353 3.707 1.00 0.00 N ATOM 547 CA ASN A 35 7.176 -2.818 3.150 1.00 0.00 C ATOM 548 C ASN A 35 6.254 -2.320 4.249 1.00 0.00 C ATOM 549 O ASN A 35 5.553 -1.349 4.024 1.00 0.00 O ATOM 550 CB ASN A 35 6.403 -3.865 2.320 1.00 0.00 C ATOM 551 CG ASN A 35 4.952 -3.427 2.078 1.00 0.00 C ATOM 552 OD1 ASN A 35 4.625 -2.851 1.052 1.00 0.00 O ATOM 553 ND2 ASN A 35 4.042 -3.700 3.008 1.00 0.00 N ATOM 0 H ASN A 35 8.626 -4.308 3.416 1.00 0.00 H new ATOM 0 HA ASN A 35 7.473 -1.996 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.904 -4.015 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.414 -4.823 2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.069 -3.428 2.865 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.317 -4.181 3.864 1.00 0.00 H new ATOM 560 N LEU A 36 6.107 -3.038 5.355 1.00 0.00 N ATOM 561 CA LEU A 36 5.008 -2.886 6.279 1.00 0.00 C ATOM 562 C LEU A 36 5.073 -1.556 7.005 1.00 0.00 C ATOM 563 O LEU A 36 4.069 -0.846 7.053 1.00 0.00 O ATOM 564 CB LEU A 36 4.952 -4.159 7.141 1.00 0.00 C ATOM 565 CG LEU A 36 4.014 -5.209 6.537 1.00 0.00 C ATOM 566 CD1 LEU A 36 4.317 -6.604 7.094 1.00 0.00 C ATOM 567 CD2 LEU A 36 2.545 -4.881 6.811 1.00 0.00 C ATOM 0 H LEU A 36 6.771 -3.760 5.635 1.00 0.00 H new ATOM 0 HA LEU A 36 4.043 -2.816 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.954 -4.578 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.615 -3.904 8.146 1.00 0.00 H new ATOM 0 HG LEU A 36 4.187 -5.197 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.636 -7.329 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.345 -6.876 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.185 -6.600 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.912 -5.649 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.374 -4.848 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.301 -3.912 6.375 1.00 0.00 H new ATOM 579 N GLU A 37 6.269 -1.165 7.423 1.00 0.00 N ATOM 580 CA GLU A 37 6.563 0.209 7.844 1.00 0.00 C ATOM 581 C GLU A 37 6.177 1.148 6.719 1.00 0.00 C ATOM 582 O GLU A 37 5.409 2.077 6.945 1.00 0.00 O ATOM 583 CB GLU A 37 8.051 0.376 8.216 1.00 0.00 C ATOM 584 CG GLU A 37 8.409 1.742 8.850 1.00 0.00 C ATOM 585 CD GLU A 37 8.355 2.988 7.936 1.00 0.00 C ATOM 586 OE1 GLU A 37 8.714 2.907 6.741 1.00 0.00 O ATOM 587 OE2 GLU A 37 7.984 4.071 8.451 1.00 0.00 O ATOM 0 H GLU A 37 7.071 -1.792 7.482 1.00 0.00 H new ATOM 0 HA GLU A 37 5.986 0.446 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.329 -0.416 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.654 0.238 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.734 1.911 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.416 1.669 9.260 1.00 0.00 H new ATOM 594 N HIS A 38 6.656 0.892 5.506 1.00 0.00 N ATOM 595 CA HIS A 38 6.462 1.800 4.398 1.00 0.00 C ATOM 596 C HIS A 38 4.973 2.031 4.095 1.00 0.00 C ATOM 597 O HIS A 38 4.529 3.160 3.917 1.00 0.00 O ATOM 598 CB HIS A 38 7.230 1.261 3.193 1.00 0.00 C ATOM 599 CG HIS A 38 7.518 2.366 2.239 1.00 0.00 C ATOM 600 ND1 HIS A 38 8.389 3.398 2.484 1.00 0.00 N ATOM 601 CD2 HIS A 38 6.874 2.596 1.060 1.00 0.00 C ATOM 602 CE1 HIS A 38 8.293 4.245 1.452 1.00 0.00 C ATOM 603 NE2 HIS A 38 7.404 3.788 0.548 1.00 0.00 N ATOM 0 H HIS A 38 7.186 0.052 5.271 1.00 0.00 H new ATOM 0 HA HIS A 38 6.855 2.783 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.162 0.800 3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.648 0.484 2.698 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.995 3.500 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.108 1.982 0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.850 5.166 1.357 1.00 0.00 H new ATOM 611 N PHE A 39 4.181 0.968 4.061 1.00 0.00 N ATOM 612 CA PHE A 39 2.731 0.936 3.929 1.00 0.00 C ATOM 613 C PHE A 39 2.015 1.666 5.073 1.00 0.00 C ATOM 614 O PHE A 39 0.869 2.081 4.892 1.00 0.00 O ATOM 615 CB PHE A 39 2.314 -0.535 3.857 1.00 0.00 C ATOM 616 CG PHE A 39 0.822 -0.755 3.752 1.00 0.00 C ATOM 617 CD1 PHE A 39 0.116 -0.185 2.682 1.00 0.00 C ATOM 618 CD2 PHE A 39 0.151 -1.575 4.674 1.00 0.00 C ATOM 619 CE1 PHE A 39 -1.228 -0.515 2.462 1.00 0.00 C ATOM 620 CE2 PHE A 39 -1.204 -1.886 4.464 1.00 0.00 C ATOM 621 CZ PHE A 39 -1.893 -1.358 3.365 1.00 0.00 C ATOM 0 H PHE A 39 4.569 0.027 4.131 1.00 0.00 H new ATOM 0 HA PHE A 39 2.437 1.467 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.799 -0.996 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.684 -1.049 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.612 0.513 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.671 -1.963 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.749 -0.122 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.718 -2.537 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.935 -1.599 3.213 1.00 0.00 H new ATOM 631 N ILE A 40 2.637 1.869 6.233 1.00 0.00 N ATOM 632 CA ILE A 40 2.179 2.935 7.132 1.00 0.00 C ATOM 633 C ILE A 40 2.625 4.261 6.516 1.00 0.00 C ATOM 634 O ILE A 40 1.791 5.111 6.204 1.00 0.00 O ATOM 635 CB ILE A 40 2.685 2.786 8.602 1.00 0.00 C ATOM 636 CG1 ILE A 40 1.801 1.805 9.391 1.00 0.00 C ATOM 637 CG2 ILE A 40 2.647 4.110 9.399 1.00 0.00 C ATOM 638 CD1 ILE A 40 2.145 0.381 9.005 1.00 0.00 C ATOM 0 H ILE A 40 3.435 1.330 6.569 1.00 0.00 H new ATOM 0 HA ILE A 40 1.094 2.881 7.219 1.00 0.00 H new ATOM 0 HB ILE A 40 3.713 2.436 8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.949 1.947 10.461 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.749 2.003 9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.011 3.936 10.411 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.280 4.849 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.623 4.480 9.441 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.516 -0.310 9.566 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.974 0.242 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.193 0.185 9.233 1.00 0.00 H new ATOM 650 N SER A 41 3.936 4.400 6.348 1.00 0.00 N ATOM 651 CA SER A 41 4.670 5.629 6.216 1.00 0.00 C ATOM 652 C SER A 41 4.204 6.584 5.102 1.00 0.00 C ATOM 653 O SER A 41 4.016 7.774 5.350 1.00 0.00 O ATOM 654 CB SER A 41 6.167 5.302 6.110 1.00 0.00 C ATOM 655 OG SER A 41 6.932 6.005 7.066 1.00 0.00 O ATOM 0 H SER A 41 4.549 3.586 6.298 1.00 0.00 H new ATOM 0 HA SER A 41 4.462 6.205 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.314 4.230 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.522 5.549 5.109 1.00 0.00 H new ATOM 0 HG SER A 41 7.185 5.398 7.793 1.00 0.00 H new ATOM 661 N VAL A 42 4.074 6.128 3.847 1.00 0.00 N ATOM 662 CA VAL A 42 3.639 6.924 2.733 1.00 0.00 C ATOM 663 C VAL A 42 2.134 7.227 2.809 1.00 0.00 C ATOM 664 O VAL A 42 1.680 8.258 2.291 1.00 0.00 O ATOM 665 CB VAL A 42 4.122 6.210 1.481 1.00 0.00 C ATOM 666 CG1 VAL A 42 5.469 6.771 1.033 1.00 0.00 C ATOM 667 CG2 VAL A 42 4.200 4.692 1.430 1.00 0.00 C ATOM 0 H VAL A 42 4.280 5.162 3.591 1.00 0.00 H new ATOM 0 HA VAL A 42 4.073 7.924 2.732 1.00 0.00 H new ATOM 0 HB VAL A 42 3.290 6.427 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.800 6.249 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.367 7.834 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.203 6.631 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.567 4.379 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.880 4.336 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.209 4.271 1.597 1.00 0.00 H new ATOM 677 N THR A 43 1.352 6.326 3.396 1.00 0.00 N ATOM 678 CA THR A 43 -0.068 6.412 3.660 1.00 0.00 C ATOM 679 C THR A 43 -0.321 7.306 4.891 1.00 0.00 C ATOM 680 O THR A 43 0.582 7.939 5.422 1.00 0.00 O ATOM 681 CB THR A 43 -0.627 4.965 3.728 1.00 0.00 C ATOM 682 OG1 THR A 43 0.334 4.007 3.330 1.00 0.00 O ATOM 683 CG2 THR A 43 -1.674 4.747 2.657 1.00 0.00 C ATOM 0 H THR A 43 1.737 5.441 3.726 1.00 0.00 H new ATOM 0 HA THR A 43 -0.621 6.909 2.863 1.00 0.00 H new ATOM 0 HB THR A 43 -0.973 4.855 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.468 3.358 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.053 3.727 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.495 5.449 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.229 4.907 1.675 1.00 0.00 H new ATOM 691 N GLU A 44 -1.583 7.438 5.301 1.00 0.00 N ATOM 692 CA GLU A 44 -1.965 7.837 6.635 1.00 0.00 C ATOM 693 C GLU A 44 -2.964 6.793 7.167 1.00 0.00 C ATOM 694 O GLU A 44 -3.690 7.055 8.119 1.00 0.00 O ATOM 695 CB GLU A 44 -2.531 9.272 6.757 1.00 0.00 C ATOM 696 CG GLU A 44 -1.730 10.454 6.173 1.00 0.00 C ATOM 697 CD GLU A 44 -2.205 10.909 4.785 1.00 0.00 C ATOM 698 OE1 GLU A 44 -3.424 10.900 4.505 1.00 0.00 O ATOM 699 OE2 GLU A 44 -1.360 11.230 3.920 1.00 0.00 O ATOM 0 H GLU A 44 -2.381 7.263 4.690 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.058 7.870 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.513 9.277 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.686 9.474 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.793 11.297 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.679 10.171 6.111 1.00 0.00 H new ATOM 706 N HIS A 45 -3.067 5.641 6.485 1.00 0.00 N ATOM 707 CA HIS A 45 -4.148 4.684 6.621 1.00 0.00 C ATOM 708 C HIS A 45 -3.990 3.961 7.976 1.00 0.00 C ATOM 709 O HIS A 45 -3.104 3.116 8.100 1.00 0.00 O ATOM 710 CB HIS A 45 -4.152 3.727 5.408 1.00 0.00 C ATOM 711 CG HIS A 45 -5.368 2.812 5.476 1.00 0.00 C ATOM 712 ND1 HIS A 45 -5.553 1.901 6.497 1.00 0.00 N ATOM 713 CD2 HIS A 45 -6.547 2.854 4.749 1.00 0.00 C ATOM 714 CE1 HIS A 45 -6.827 1.489 6.466 1.00 0.00 C ATOM 715 NE2 HIS A 45 -7.456 2.040 5.426 1.00 0.00 N ATOM 0 H HIS A 45 -2.368 5.351 5.801 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.121 5.176 6.622 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.168 4.300 4.481 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.238 3.133 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.727 3.407 3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.278 0.812 7.176 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.432 1.892 5.170 1.00 0.00 H new ATOM 723 N PRO A 46 -4.826 4.248 8.990 1.00 0.00 N ATOM 724 CA PRO A 46 -4.551 3.946 10.391 1.00 0.00 C ATOM 725 C PRO A 46 -4.505 2.450 10.683 1.00 0.00 C ATOM 726 O PRO A 46 -3.685 2.019 11.486 1.00 0.00 O ATOM 727 CB PRO A 46 -5.660 4.642 11.191 1.00 0.00 C ATOM 728 CG PRO A 46 -6.794 4.833 10.182 1.00 0.00 C ATOM 729 CD PRO A 46 -6.046 5.009 8.874 1.00 0.00 C ATOM 0 HA PRO A 46 -3.561 4.306 10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.980 4.035 12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.321 5.597 11.593 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.462 3.972 10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.406 5.703 10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.645 4.655 8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.830 6.061 8.690 1.00 0.00 H new ATOM 737 N SER A 47 -5.366 1.664 10.037 1.00 0.00 N ATOM 738 CA SER A 47 -5.424 0.218 10.204 1.00 0.00 C ATOM 739 C SER A 47 -4.168 -0.478 9.662 1.00 0.00 C ATOM 740 O SER A 47 -3.934 -1.641 9.979 1.00 0.00 O ATOM 741 CB SER A 47 -6.670 -0.302 9.475 1.00 0.00 C ATOM 742 OG SER A 47 -7.755 0.616 9.553 1.00 0.00 O ATOM 0 H SER A 47 -6.052 2.023 9.373 1.00 0.00 H new ATOM 0 HA SER A 47 -5.476 -0.008 11.269 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.427 -0.488 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.971 -1.257 9.907 1.00 0.00 H new ATOM 0 HG SER A 47 -8.528 0.250 9.076 1.00 0.00 H new ATOM 748 N GLY A 48 -3.365 0.215 8.836 1.00 0.00 N ATOM 749 CA GLY A 48 -2.185 -0.330 8.189 1.00 0.00 C ATOM 750 C GLY A 48 -2.413 -1.750 7.691 1.00 0.00 C ATOM 751 O GLY A 48 -3.294 -2.032 6.875 1.00 0.00 O ATOM 0 H GLY A 48 -3.533 1.193 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.904 0.308 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.350 -0.321 8.890 1.00 0.00 H new ATOM 755 N SER A 49 -1.589 -2.621 8.247 1.00 0.00 N ATOM 756 CA SER A 49 -1.450 -4.045 8.005 1.00 0.00 C ATOM 757 C SER A 49 -2.730 -4.872 8.107 1.00 0.00 C ATOM 758 O SER A 49 -2.740 -5.995 7.604 1.00 0.00 O ATOM 759 CB SER A 49 -0.410 -4.564 9.006 1.00 0.00 C ATOM 760 OG SER A 49 -0.635 -4.052 10.313 1.00 0.00 O ATOM 0 H SER A 49 -0.927 -2.311 8.959 1.00 0.00 H new ATOM 0 HA SER A 49 -1.149 -4.164 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.442 -5.653 9.032 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.589 -4.282 8.672 1.00 0.00 H new ATOM 0 HG SER A 49 0.045 -4.405 10.924 1.00 0.00 H new ATOM 766 N ASP A 50 -3.807 -4.363 8.700 1.00 0.00 N ATOM 767 CA ASP A 50 -5.074 -5.043 8.773 1.00 0.00 C ATOM 768 C ASP A 50 -5.579 -5.342 7.366 1.00 0.00 C ATOM 769 O ASP A 50 -6.116 -6.418 7.119 1.00 0.00 O ATOM 770 CB ASP A 50 -6.044 -4.093 9.483 1.00 0.00 C ATOM 771 CG ASP A 50 -5.940 -4.019 11.011 1.00 0.00 C ATOM 772 OD1 ASP A 50 -5.157 -4.798 11.599 1.00 0.00 O ATOM 773 OD2 ASP A 50 -6.668 -3.170 11.576 1.00 0.00 O ATOM 0 H ASP A 50 -3.812 -3.447 9.149 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.985 -5.987 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.893 -3.091 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.061 -4.389 9.225 1.00 0.00 H new ATOM 778 N LEU A 51 -5.340 -4.442 6.404 1.00 0.00 N ATOM 779 CA LEU A 51 -5.769 -4.626 5.030 1.00 0.00 C ATOM 780 C LEU A 51 -5.008 -5.753 4.334 1.00 0.00 C ATOM 781 O LEU A 51 -5.483 -6.254 3.317 1.00 0.00 O ATOM 782 CB LEU A 51 -5.507 -3.320 4.280 1.00 0.00 C ATOM 783 CG LEU A 51 -6.326 -2.115 4.770 1.00 0.00 C ATOM 784 CD1 LEU A 51 -5.888 -0.904 3.952 1.00 0.00 C ATOM 785 CD2 LEU A 51 -7.834 -2.336 4.620 1.00 0.00 C ATOM 0 H LEU A 51 -4.842 -3.567 6.567 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.826 -4.893 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.447 -3.078 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.717 -3.477 3.222 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.142 -1.965 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.449 -0.026 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.823 -0.729 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.078 -1.091 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.368 -1.457 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.075 -2.502 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.134 -3.207 5.203 1.00 0.00 H new ATOM 797 N ILE A 52 -3.832 -6.112 4.852 1.00 0.00 N ATOM 798 CA ILE A 52 -2.950 -7.132 4.309 1.00 0.00 C ATOM 799 C ILE A 52 -3.298 -8.475 4.971 1.00 0.00 C ATOM 800 O ILE A 52 -3.351 -9.486 4.273 1.00 0.00 O ATOM 801 CB ILE A 52 -1.484 -6.697 4.491 1.00 0.00 C ATOM 802 CG1 ILE A 52 -1.156 -5.449 3.640 1.00 0.00 C ATOM 803 CG2 ILE A 52 -0.411 -7.769 4.215 1.00 0.00 C ATOM 804 CD1 ILE A 52 0.131 -4.752 4.091 1.00 0.00 C ATOM 0 H ILE A 52 -3.458 -5.679 5.696 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.088 -7.261 3.235 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.429 -6.482 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.059 -5.742 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.986 -4.745 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.579 -7.343 4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.558 -8.613 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.495 -8.110 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.314 -3.882 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.028 -4.432 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.969 -5.444 4.007 1.00 0.00 H new ATOM 816 N TYR A 53 -3.534 -8.514 6.295 1.00 0.00 N ATOM 817 CA TYR A 53 -3.524 -9.753 7.057 1.00 0.00 C ATOM 818 C TYR A 53 -4.844 -10.080 7.756 1.00 0.00 C ATOM 819 O TYR A 53 -5.058 -11.246 8.090 1.00 0.00 O ATOM 820 CB TYR A 53 -2.388 -9.654 8.076 1.00 0.00 C ATOM 821 CG TYR A 53 -0.980 -9.718 7.502 1.00 0.00 C ATOM 822 CD1 TYR A 53 -0.608 -10.738 6.600 1.00 0.00 C ATOM 823 CD2 TYR A 53 -0.029 -8.756 7.887 1.00 0.00 C ATOM 824 CE1 TYR A 53 0.692 -10.779 6.061 1.00 0.00 C ATOM 825 CE2 TYR A 53 1.276 -8.801 7.368 1.00 0.00 C ATOM 826 CZ TYR A 53 1.641 -9.802 6.438 1.00 0.00 C ATOM 827 OH TYR A 53 2.898 -9.812 5.914 1.00 0.00 O ATOM 0 H TYR A 53 -3.735 -7.685 6.855 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.375 -10.574 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.496 -8.717 8.623 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.503 -10.461 8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.327 -11.494 6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.303 -7.979 8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.963 -11.555 5.361 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.004 -8.067 7.681 1.00 0.00 H new ATOM 0 HH TYR A 53 2.986 -10.563 5.290 1.00 0.00 H new ATOM 837 N TYR A 54 -5.745 -9.111 7.936 1.00 0.00 N ATOM 838 CA TYR A 54 -7.088 -9.322 8.473 1.00 0.00 C ATOM 839 C TYR A 54 -8.145 -8.728 7.519 1.00 0.00 C ATOM 840 O TYR A 54 -9.023 -7.992 7.972 1.00 0.00 O ATOM 841 CB TYR A 54 -7.170 -8.732 9.897 1.00 0.00 C ATOM 842 CG TYR A 54 -6.106 -9.196 10.884 1.00 0.00 C ATOM 843 CD1 TYR A 54 -5.790 -10.563 11.019 1.00 0.00 C ATOM 844 CD2 TYR A 54 -5.427 -8.250 11.675 1.00 0.00 C ATOM 845 CE1 TYR A 54 -4.776 -10.977 11.899 1.00 0.00 C ATOM 846 CE2 TYR A 54 -4.425 -8.655 12.573 1.00 0.00 C ATOM 847 CZ TYR A 54 -4.085 -10.021 12.678 1.00 0.00 C ATOM 848 OH TYR A 54 -3.087 -10.414 13.517 1.00 0.00 O ATOM 0 H TYR A 54 -5.555 -8.136 7.706 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.299 -10.389 8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.115 -7.646 9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.149 -8.973 10.311 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.331 -11.298 10.442 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.679 -7.203 11.591 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.525 -12.024 11.980 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.916 -7.922 13.182 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.718 -9.631 13.976 1.00 0.00 H new ATOM 858 N PRO A 55 -8.082 -9.001 6.200 1.00 0.00 N ATOM 859 CA PRO A 55 -8.945 -8.337 5.239 1.00 0.00 C ATOM 860 C PRO A 55 -10.395 -8.837 5.337 1.00 0.00 C ATOM 861 O PRO A 55 -10.669 -9.956 5.779 1.00 0.00 O ATOM 862 CB PRO A 55 -8.342 -8.691 3.888 1.00 0.00 C ATOM 863 CG PRO A 55 -7.787 -10.088 4.094 1.00 0.00 C ATOM 864 CD PRO A 55 -7.238 -9.977 5.514 1.00 0.00 C ATOM 0 HA PRO A 55 -8.995 -7.262 5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.092 -8.671 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.560 -7.988 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.557 -10.854 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.011 -10.334 3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.268 -10.942 6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.197 -9.654 5.505 1.00 0.00 H new ATOM 872 N GLU A 56 -11.325 -8.035 4.824 1.00 0.00 N ATOM 873 CA GLU A 56 -12.717 -8.344 4.631 1.00 0.00 C ATOM 874 C GLU A 56 -13.157 -7.777 3.290 1.00 0.00 C ATOM 875 O GLU A 56 -12.380 -7.707 2.356 1.00 0.00 O ATOM 876 CB GLU A 56 -13.513 -7.815 5.817 1.00 0.00 C ATOM 877 CG GLU A 56 -13.764 -6.302 5.979 1.00 0.00 C ATOM 878 CD GLU A 56 -15.267 -6.033 6.175 1.00 0.00 C ATOM 879 OE1 GLU A 56 -16.027 -6.386 5.241 1.00 0.00 O ATOM 880 OE2 GLU A 56 -15.658 -5.529 7.251 1.00 0.00 O ATOM 0 H GLU A 56 -11.098 -7.090 4.515 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.896 -9.419 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.488 -8.302 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.008 -8.156 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.204 -5.922 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.403 -5.769 5.099 1.00 0.00 H new ATOM 887 N GLY A 57 -14.424 -7.444 3.158 1.00 0.00 N ATOM 888 CA GLY A 57 -14.906 -6.493 2.154 1.00 0.00 C ATOM 889 C GLY A 57 -14.717 -6.781 0.674 1.00 0.00 C ATOM 890 O GLY A 57 -14.789 -5.858 -0.135 1.00 0.00 O ATOM 0 H GLY A 57 -15.164 -7.826 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.974 -6.359 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.428 -5.535 2.360 1.00 0.00 H new ATOM 894 N ASN A 58 -14.482 -8.036 0.302 1.00 0.00 N ATOM 895 CA ASN A 58 -14.020 -8.428 -1.039 1.00 0.00 C ATOM 896 C ASN A 58 -12.636 -7.823 -1.351 1.00 0.00 C ATOM 897 O ASN A 58 -12.192 -7.775 -2.505 1.00 0.00 O ATOM 898 CB ASN A 58 -15.082 -8.123 -2.120 1.00 0.00 C ATOM 899 CG ASN A 58 -15.114 -9.125 -3.248 1.00 0.00 C ATOM 900 OD1 ASN A 58 -16.094 -9.837 -3.448 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.058 -9.151 -4.015 1.00 0.00 N ATOM 0 H ASN A 58 -14.608 -8.829 0.931 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.889 -9.510 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.065 -8.089 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.891 -7.132 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.026 -9.780 -4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.265 -8.542 -3.812 1.00 0.00 H new ATOM 908 N ASN A 59 -11.942 -7.318 -0.329 1.00 0.00 N ATOM 909 CA ASN A 59 -10.499 -7.126 -0.335 1.00 0.00 C ATOM 910 C ASN A 59 -9.833 -8.494 -0.246 1.00 0.00 C ATOM 911 O ASN A 59 -9.295 -8.914 0.767 1.00 0.00 O ATOM 912 CB ASN A 59 -10.107 -6.187 0.813 1.00 0.00 C ATOM 913 CG ASN A 59 -8.623 -6.015 1.040 1.00 0.00 C ATOM 914 OD1 ASN A 59 -7.832 -5.870 0.113 1.00 0.00 O ATOM 915 ND2 ASN A 59 -8.290 -5.985 2.319 1.00 0.00 N ATOM 0 H ASN A 59 -12.382 -7.026 0.544 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.160 -6.652 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.543 -5.207 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.556 -6.561 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.318 -5.833 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.005 -6.114 3.035 1.00 0.00 H new ATOM 922 N ASP A 60 -9.945 -9.211 -1.351 1.00 0.00 N ATOM 923 CA ASP A 60 -9.548 -10.605 -1.527 1.00 0.00 C ATOM 924 C ASP A 60 -9.166 -10.831 -2.985 1.00 0.00 C ATOM 925 O ASP A 60 -8.318 -11.667 -3.285 1.00 0.00 O ATOM 926 CB ASP A 60 -10.686 -11.571 -1.127 1.00 0.00 C ATOM 927 CG ASP A 60 -11.745 -11.783 -2.221 1.00 0.00 C ATOM 928 OD1 ASP A 60 -12.363 -10.775 -2.638 1.00 0.00 O ATOM 929 OD2 ASP A 60 -11.953 -12.940 -2.642 1.00 0.00 O ATOM 0 H ASP A 60 -10.339 -8.814 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.696 -10.809 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.253 -12.536 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.176 -11.187 -0.232 1.00 0.00 H new ATOM 934 N GLY A 61 -9.750 -10.038 -3.894 1.00 0.00 N ATOM 935 CA GLY A 61 -9.660 -10.324 -5.315 1.00 0.00 C ATOM 936 C GLY A 61 -8.231 -10.181 -5.835 1.00 0.00 C ATOM 937 O GLY A 61 -7.841 -10.867 -6.783 1.00 0.00 O ATOM 0 H GLY A 61 -10.285 -9.201 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.016 -11.337 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.315 -9.648 -5.864 1.00 0.00 H new ATOM 941 N SER A 62 -7.452 -9.242 -5.286 1.00 0.00 N ATOM 942 CA SER A 62 -6.102 -8.942 -5.653 1.00 0.00 C ATOM 943 C SER A 62 -5.559 -7.862 -4.696 1.00 0.00 C ATOM 944 O SER A 62 -6.371 -7.136 -4.115 1.00 0.00 O ATOM 945 CB SER A 62 -6.234 -8.345 -7.044 1.00 0.00 C ATOM 946 OG SER A 62 -5.905 -9.292 -8.032 1.00 0.00 O ATOM 0 H SER A 62 -7.787 -8.646 -4.529 1.00 0.00 H new ATOM 0 HA SER A 62 -5.439 -9.806 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.254 -7.993 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.581 -7.477 -7.135 1.00 0.00 H new ATOM 0 HG SER A 62 -6.450 -10.097 -7.908 1.00 0.00 H new ATOM 952 N PRO A 63 -4.234 -7.587 -4.693 1.00 0.00 N ATOM 953 CA PRO A 63 -3.612 -6.422 -4.031 1.00 0.00 C ATOM 954 C PRO A 63 -4.177 -5.061 -4.493 1.00 0.00 C ATOM 955 O PRO A 63 -3.941 -4.010 -3.900 1.00 0.00 O ATOM 956 CB PRO A 63 -2.113 -6.528 -4.358 1.00 0.00 C ATOM 957 CG PRO A 63 -2.031 -7.439 -5.577 1.00 0.00 C ATOM 958 CD PRO A 63 -3.223 -8.368 -5.396 1.00 0.00 C ATOM 0 HA PRO A 63 -3.821 -6.448 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.686 -5.548 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.556 -6.943 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.098 -6.875 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.091 -7.990 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.597 -8.715 -6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.945 -9.253 -4.824 1.00 0.00 H new ATOM 966 N GLU A 64 -4.974 -5.082 -5.554 1.00 0.00 N ATOM 967 CA GLU A 64 -5.779 -4.022 -6.092 1.00 0.00 C ATOM 968 C GLU A 64 -6.660 -3.453 -5.013 1.00 0.00 C ATOM 969 O GLU A 64 -6.715 -2.239 -4.874 1.00 0.00 O ATOM 970 CB GLU A 64 -6.659 -4.640 -7.182 1.00 0.00 C ATOM 971 CG GLU A 64 -5.888 -4.747 -8.495 1.00 0.00 C ATOM 972 CD GLU A 64 -5.778 -3.386 -9.198 1.00 0.00 C ATOM 973 OE1 GLU A 64 -6.584 -2.466 -8.915 1.00 0.00 O ATOM 974 OE2 GLU A 64 -4.801 -3.160 -9.934 1.00 0.00 O ATOM 0 H GLU A 64 -5.074 -5.934 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.152 -3.224 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.995 -5.629 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.551 -4.031 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.890 -5.139 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.387 -5.458 -9.154 1.00 0.00 H new ATOM 981 N ALA A 65 -7.361 -4.323 -4.290 1.00 0.00 N ATOM 982 CA ALA A 65 -8.339 -3.917 -3.307 1.00 0.00 C ATOM 983 C ALA A 65 -7.680 -3.167 -2.149 1.00 0.00 C ATOM 984 O ALA A 65 -8.323 -2.274 -1.606 1.00 0.00 O ATOM 985 CB ALA A 65 -9.117 -5.143 -2.840 1.00 0.00 C ATOM 0 H ALA A 65 -7.259 -5.334 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.043 -3.217 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.857 -4.843 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.621 -5.600 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.429 -5.863 -2.397 1.00 0.00 H new ATOM 991 N VAL A 66 -6.396 -3.408 -1.854 1.00 0.00 N ATOM 992 CA VAL A 66 -5.727 -2.547 -0.864 1.00 0.00 C ATOM 993 C VAL A 66 -5.484 -1.177 -1.496 1.00 0.00 C ATOM 994 O VAL A 66 -5.678 -0.162 -0.841 1.00 0.00 O ATOM 995 CB VAL A 66 -4.402 -3.148 -0.356 1.00 0.00 C ATOM 996 CG1 VAL A 66 -3.719 -2.249 0.672 1.00 0.00 C ATOM 997 CG2 VAL A 66 -4.538 -4.568 0.226 1.00 0.00 C ATOM 0 H VAL A 66 -5.823 -4.149 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.377 -2.457 0.006 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.782 -3.219 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.790 -2.714 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.501 -1.281 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.378 -2.110 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.562 -4.919 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.227 -4.551 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.922 -5.240 -0.541 1.00 0.00 H new ATOM 1007 N ILE A 67 -5.076 -1.094 -2.768 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.819 0.214 -3.385 1.00 0.00 C ATOM 1009 C ILE A 67 -6.062 1.048 -3.392 1.00 0.00 C ATOM 1010 O ILE A 67 -5.991 2.244 -3.126 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.253 0.078 -4.820 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -2.744 0.290 -4.711 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -4.771 1.049 -5.891 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -2.219 -0.845 -3.858 1.00 0.00 C ATOM 0 H ILE A 67 -4.919 -1.896 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.062 0.712 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.579 -0.904 -5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.278 0.284 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.518 1.255 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.286 0.833 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.849 0.931 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.546 2.073 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.139 -0.746 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.692 -0.811 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.447 -1.797 -4.338 1.00 0.00 H new ATOM 1026 N LYS A 68 -7.152 0.383 -3.748 1.00 0.00 N ATOM 1027 CA LYS A 68 -8.503 0.890 -3.611 1.00 0.00 C ATOM 1028 C LYS A 68 -8.620 1.426 -2.227 1.00 0.00 C ATOM 1029 O LYS A 68 -8.634 2.632 -2.135 1.00 0.00 O ATOM 1030 CB LYS A 68 -9.572 -0.135 -3.994 1.00 0.00 C ATOM 1031 CG LYS A 68 -9.382 -0.420 -5.484 1.00 0.00 C ATOM 1032 CD LYS A 68 -10.463 -1.272 -6.158 1.00 0.00 C ATOM 1033 CE LYS A 68 -9.824 -2.170 -7.235 1.00 0.00 C ATOM 1034 NZ LYS A 68 -8.918 -1.428 -8.146 1.00 0.00 N ATOM 0 H LYS A 68 -7.115 -0.553 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.691 1.693 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.464 -1.047 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.571 0.254 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.321 0.533 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.422 -0.919 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.971 -1.886 -5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.218 -0.628 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.266 -2.970 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.612 -2.642 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.184 -1.620 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.996 -0.408 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.937 -1.735 -7.986 1.00 0.00 H new ATOM 1048 N GLU A 69 -8.556 0.631 -1.177 1.00 0.00 N ATOM 1049 CA GLU A 69 -8.825 1.133 0.146 1.00 0.00 C ATOM 1050 C GLU A 69 -7.884 2.254 0.562 1.00 0.00 C ATOM 1051 O GLU A 69 -8.260 3.100 1.351 1.00 0.00 O ATOM 1052 CB GLU A 69 -8.687 -0.030 1.115 1.00 0.00 C ATOM 1053 CG GLU A 69 -9.951 -0.337 1.953 1.00 0.00 C ATOM 1054 CD GLU A 69 -10.790 0.885 2.389 1.00 0.00 C ATOM 1055 OE1 GLU A 69 -11.624 1.334 1.564 1.00 0.00 O ATOM 1056 OE2 GLU A 69 -10.626 1.356 3.534 1.00 0.00 O ATOM 0 H GLU A 69 -8.321 -0.361 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.830 1.556 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.418 -0.923 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.861 0.179 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.591 -1.005 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.646 -0.881 2.847 1.00 0.00 H new ATOM 1063 N ILE A 70 -6.679 2.351 0.012 1.00 0.00 N ATOM 1064 CA ILE A 70 -5.790 3.421 0.302 1.00 0.00 C ATOM 1065 C ILE A 70 -6.422 4.646 -0.345 1.00 0.00 C ATOM 1066 O ILE A 70 -6.699 5.625 0.337 1.00 0.00 O ATOM 1067 CB ILE A 70 -4.386 3.147 -0.177 1.00 0.00 C ATOM 1068 CG1 ILE A 70 -3.684 2.065 0.663 1.00 0.00 C ATOM 1069 CG2 ILE A 70 -3.631 4.465 -0.065 1.00 0.00 C ATOM 1070 CD1 ILE A 70 -4.378 1.276 1.787 1.00 0.00 C ATOM 0 H ILE A 70 -6.307 1.672 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.665 3.568 1.375 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.409 2.771 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.308 1.325 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.816 2.544 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.603 4.325 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.117 5.217 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.632 4.798 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.672 0.572 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.728 1.967 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.227 0.729 1.377 1.00 0.00 H new ATOM 1082 N LYS A 71 -6.614 4.612 -1.672 1.00 0.00 N ATOM 1083 CA LYS A 71 -7.309 5.696 -2.371 1.00 0.00 C ATOM 1084 C LYS A 71 -8.595 6.046 -1.654 1.00 0.00 C ATOM 1085 O LYS A 71 -8.852 7.232 -1.471 1.00 0.00 O ATOM 1086 CB LYS A 71 -7.748 5.325 -3.795 1.00 0.00 C ATOM 1087 CG LYS A 71 -6.641 4.982 -4.781 1.00 0.00 C ATOM 1088 CD LYS A 71 -7.079 3.860 -5.736 1.00 0.00 C ATOM 1089 CE LYS A 71 -8.414 4.094 -6.452 1.00 0.00 C ATOM 1090 NZ LYS A 71 -8.235 4.881 -7.684 1.00 0.00 N ATOM 0 H LYS A 71 -6.300 3.852 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.588 6.513 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.424 4.473 -3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.322 6.157 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.374 5.869 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.748 4.673 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.302 3.721 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.146 2.930 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.871 3.135 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.100 4.614 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.047 4.728 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.169 5.891 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.362 4.581 -8.164 1.00 0.00 H new ATOM 1104 N GLU A 72 -9.403 5.058 -1.284 1.00 0.00 N ATOM 1105 CA GLU A 72 -10.778 5.277 -1.025 1.00 0.00 C ATOM 1106 C GLU A 72 -10.983 5.650 0.455 1.00 0.00 C ATOM 1107 O GLU A 72 -11.799 6.527 0.745 1.00 0.00 O ATOM 1108 CB GLU A 72 -11.452 4.011 -1.538 1.00 0.00 C ATOM 1109 CG GLU A 72 -12.205 4.165 -2.877 1.00 0.00 C ATOM 1110 CD GLU A 72 -11.263 4.373 -4.092 1.00 0.00 C ATOM 1111 OE1 GLU A 72 -10.945 5.543 -4.415 1.00 0.00 O ATOM 1112 OE2 GLU A 72 -10.876 3.382 -4.762 1.00 0.00 O ATOM 0 H GLU A 72 -9.101 4.092 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.231 6.129 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.694 3.236 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.155 3.661 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.815 3.278 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.888 5.012 -2.806 1.00 0.00 H new ATOM 1119 N TRP A 73 -10.143 5.145 1.369 1.00 0.00 N ATOM 1120 CA TRP A 73 -9.936 5.693 2.704 1.00 0.00 C ATOM 1121 C TRP A 73 -9.495 7.132 2.610 1.00 0.00 C ATOM 1122 O TRP A 73 -10.158 7.987 3.197 1.00 0.00 O ATOM 1123 CB TRP A 73 -8.948 4.862 3.498 1.00 0.00 C ATOM 1124 CG TRP A 73 -8.832 5.286 4.917 1.00 0.00 C ATOM 1125 CD1 TRP A 73 -9.598 4.833 5.927 1.00 0.00 C ATOM 1126 CD2 TRP A 73 -7.940 6.271 5.487 1.00 0.00 C ATOM 1127 NE1 TRP A 73 -9.236 5.476 7.098 1.00 0.00 N ATOM 1128 CE2 TRP A 73 -8.255 6.424 6.865 1.00 0.00 C ATOM 1129 CE3 TRP A 73 -6.906 7.058 4.955 1.00 0.00 C ATOM 1130 CZ2 TRP A 73 -7.591 7.362 7.669 1.00 0.00 C ATOM 1131 CZ3 TRP A 73 -6.229 7.994 5.748 1.00 0.00 C ATOM 1132 CH2 TRP A 73 -6.573 8.150 7.094 1.00 0.00 C ATOM 0 H TRP A 73 -9.574 4.318 1.188 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.884 5.657 3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.252 3.816 3.462 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.968 4.926 3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.373 4.086 5.838 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.640 5.277 8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.628 6.940 3.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.855 7.479 8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.441 8.595 5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.055 8.880 7.698 1.00 0.00 H new ATOM 1143 N ARG A 74 -8.408 7.439 1.890 1.00 0.00 N ATOM 1144 CA ARG A 74 -7.921 8.810 1.829 1.00 0.00 C ATOM 1145 C ARG A 74 -9.021 9.678 1.235 1.00 0.00 C ATOM 1146 O ARG A 74 -9.231 10.781 1.724 1.00 0.00 O ATOM 1147 CB ARG A 74 -6.626 8.885 1.012 1.00 0.00 C ATOM 1148 CG ARG A 74 -5.491 7.996 1.541 1.00 0.00 C ATOM 1149 CD ARG A 74 -4.662 8.517 2.714 1.00 0.00 C ATOM 1150 NE ARG A 74 -3.448 9.260 2.348 1.00 0.00 N ATOM 1151 CZ ARG A 74 -2.322 8.717 1.882 1.00 0.00 C ATOM 1152 NH1 ARG A 74 -2.395 7.554 1.235 1.00 0.00 N ATOM 1153 NH2 ARG A 74 -1.147 9.307 2.073 1.00 0.00 N ATOM 0 H ARG A 74 -7.862 6.765 1.353 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.680 9.175 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.843 8.602 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.282 9.919 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.925 7.041 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.810 7.795 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.293 9.164 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.375 7.671 3.338 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.468 10.274 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.298 7.098 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.548 7.120 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.096 10.189 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.296 8.878 1.710 1.00 0.00 H new ATOM 1167 N ALA A 75 -9.756 9.189 0.231 1.00 0.00 N ATOM 1168 CA ALA A 75 -10.893 9.852 -0.366 1.00 0.00 C ATOM 1169 C ALA A 75 -11.923 10.222 0.686 1.00 0.00 C ATOM 1170 O ALA A 75 -12.190 11.414 0.863 1.00 0.00 O ATOM 1171 CB ALA A 75 -11.500 9.058 -1.530 1.00 0.00 C ATOM 0 H ALA A 75 -9.558 8.284 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.529 10.780 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.350 9.604 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.749 8.921 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.833 8.084 -1.171 1.00 0.00 H new ATOM 1177 N ALA A 76 -12.492 9.226 1.360 1.00 0.00 N ATOM 1178 CA ALA A 76 -13.544 9.437 2.334 1.00 0.00 C ATOM 1179 C ALA A 76 -13.068 10.326 3.473 1.00 0.00 C ATOM 1180 O ALA A 76 -13.839 11.161 3.946 1.00 0.00 O ATOM 1181 CB ALA A 76 -14.042 8.087 2.860 1.00 0.00 C ATOM 0 H ALA A 76 -12.231 8.247 1.241 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.373 9.951 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.833 8.251 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.431 7.495 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.217 7.553 3.331 1.00 0.00 H new ATOM 1187 N ASN A 77 -11.812 10.174 3.898 1.00 0.00 N ATOM 1188 CA ASN A 77 -11.296 10.909 5.028 1.00 0.00 C ATOM 1189 C ASN A 77 -10.944 12.352 4.672 1.00 0.00 C ATOM 1190 O ASN A 77 -10.923 13.198 5.565 1.00 0.00 O ATOM 1191 CB ASN A 77 -10.078 10.159 5.555 1.00 0.00 C ATOM 1192 CG ASN A 77 -10.501 9.048 6.503 1.00 0.00 C ATOM 1193 OD1 ASN A 77 -10.566 9.228 7.712 1.00 0.00 O ATOM 1194 ND2 ASN A 77 -10.861 7.900 5.960 1.00 0.00 N ATOM 0 H ASN A 77 -11.139 9.541 3.466 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.066 10.974 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.515 9.738 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.413 10.852 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.202 7.141 6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.799 7.772 4.950 1.00 0.00 H new ATOM 1201 N GLY A 78 -10.676 12.666 3.399 1.00 0.00 N ATOM 1202 CA GLY A 78 -10.148 13.983 3.051 1.00 0.00 C ATOM 1203 C GLY A 78 -9.278 13.959 1.803 1.00 0.00 C ATOM 1204 O GLY A 78 -8.178 14.503 1.817 1.00 0.00 O ATOM 0 H GLY A 78 -10.814 12.037 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.978 14.673 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.565 14.368 3.887 1.00 0.00 H new ATOM 1208 N LYS A 79 -9.788 13.351 0.728 1.00 0.00 N ATOM 1209 CA LYS A 79 -9.163 13.046 -0.533 1.00 0.00 C ATOM 1210 C LYS A 79 -7.766 13.616 -0.779 1.00 0.00 C ATOM 1211 O LYS A 79 -7.564 14.781 -1.118 1.00 0.00 O ATOM 1212 CB LYS A 79 -10.095 13.437 -1.652 1.00 0.00 C ATOM 1213 CG LYS A 79 -11.617 13.223 -1.543 1.00 0.00 C ATOM 1214 CD LYS A 79 -12.359 13.932 -2.679 1.00 0.00 C ATOM 1215 CE LYS A 79 -12.300 15.453 -2.487 1.00 0.00 C ATOM 1216 NZ LYS A 79 -12.951 16.174 -3.599 1.00 0.00 N ATOM 0 H LYS A 79 -10.757 13.031 0.736 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.987 11.971 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.937 14.499 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.763 12.903 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.840 12.156 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.972 13.599 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.914 13.662 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.398 13.602 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.785 15.719 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.260 15.769 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.890 17.199 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.472 15.940 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.950 15.892 -3.658 1.00 0.00 H new ATOM 1230 N SER A 80 -6.858 12.669 -0.747 1.00 0.00 N ATOM 1231 CA SER A 80 -5.501 12.631 -1.256 1.00 0.00 C ATOM 1232 C SER A 80 -5.336 11.237 -1.873 1.00 0.00 C ATOM 1233 O SER A 80 -6.232 10.398 -1.758 1.00 0.00 O ATOM 1234 CB SER A 80 -4.524 12.912 -0.108 1.00 0.00 C ATOM 1235 OG SER A 80 -4.714 14.234 0.358 1.00 0.00 O ATOM 0 H SER A 80 -7.085 11.781 -0.300 1.00 0.00 H new ATOM 0 HA SER A 80 -5.294 13.389 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.685 12.202 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.497 12.779 -0.449 1.00 0.00 H new ATOM 0 HG SER A 80 -4.091 14.414 1.093 1.00 0.00 H new ATOM 1241 N GLY A 81 -4.228 10.982 -2.558 1.00 0.00 N ATOM 1242 CA GLY A 81 -3.972 9.728 -3.240 1.00 0.00 C ATOM 1243 C GLY A 81 -2.647 9.832 -3.979 1.00 0.00 C ATOM 1244 O GLY A 81 -1.938 10.834 -3.847 1.00 0.00 O ATOM 0 H GLY A 81 -3.470 11.657 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.940 8.908 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.778 9.508 -3.940 1.00 0.00 H new ATOM 1248 N PHE A 82 -2.295 8.779 -4.716 1.00 0.00 N ATOM 1249 CA PHE A 82 -1.130 8.756 -5.572 1.00 0.00 C ATOM 1250 C PHE A 82 -1.311 9.723 -6.745 1.00 0.00 C ATOM 1251 O PHE A 82 -2.311 10.431 -6.864 1.00 0.00 O ATOM 1252 CB PHE A 82 -0.820 7.317 -6.043 1.00 0.00 C ATOM 1253 CG PHE A 82 -1.495 6.189 -5.303 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -0.897 5.634 -4.163 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -2.710 5.677 -5.776 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -1.541 4.597 -3.465 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.313 4.601 -5.111 1.00 0.00 C ATOM 1258 CZ PHE A 82 -2.756 4.078 -3.933 1.00 0.00 C ATOM 0 H PHE A 82 -2.826 7.908 -4.729 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.266 9.095 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.091 7.240 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.258 7.166 -5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.059 6.003 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.179 6.109 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.098 4.199 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.218 4.168 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.257 3.287 -3.395 1.00 0.00 H new ATOM 1268 N LYS A 83 -0.320 9.712 -7.631 1.00 0.00 N ATOM 1269 CA LYS A 83 -0.202 10.467 -8.849 1.00 0.00 C ATOM 1270 C LYS A 83 -1.527 10.612 -9.590 1.00 0.00 C ATOM 1271 O LYS A 83 -2.236 9.637 -9.841 1.00 0.00 O ATOM 1272 CB LYS A 83 0.777 9.681 -9.708 1.00 0.00 C ATOM 1273 CG LYS A 83 1.575 10.542 -10.708 1.00 0.00 C ATOM 1274 CD LYS A 83 2.770 11.276 -10.055 1.00 0.00 C ATOM 1275 CE LYS A 83 3.813 10.312 -9.453 1.00 0.00 C ATOM 1276 NZ LYS A 83 5.040 10.983 -8.964 1.00 0.00 N ATOM 0 H LYS A 83 0.493 9.112 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 83 0.128 11.483 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.477 9.159 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.227 8.919 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.942 9.906 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.908 11.276 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.254 11.906 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.399 11.937 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.355 9.767 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.090 9.575 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.485 10.399 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.705 11.109 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.793 11.912 -8.568 1.00 0.00 H new