USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 776 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 67 TYR OH : rot -140:sc= 0.374 USER MOD Set 1.2: A 78 THR OG1 : rot 174:sc= 0.275 USER MOD Set 2.1: A 63 ASN : amide:sc= 0.687 K(o=1.9,f=-0.14) USER MOD Set 2.2: A 74 TYR OH : rot -118:sc= 1.17 USER MOD Set 3.1: A 42 GLN : amide:sc= 0.74 K(o=2,f=-4!) USER MOD Set 3.2: A 56 ASN : amide:sc= 1.21 K(o=2,f=-0.15) USER MOD Set 4.1: A 31 ASN : amide:sc= 2.11 K(o=3.2,f=-2.5) USER MOD Set 4.2: A 33 HIS : no HE2:sc= 1.13 K(o=3.2,f=-5.4!) USER MOD Set 5.1: A 1 GLY N :NH3+ -174:sc= 0.6 (180deg=0) USER MOD Set 5.2: A 96 THR OG1 : rot 54:sc= 1.81 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00118 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= -0.0649 (180deg=-0.49) USER MOD Single : A 8 THR OG1 : rot 12:sc= 1.13 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0274 (180deg=-0.238) USER MOD Single : A 12 THR OG1 : rot -50:sc= 0.0957 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0106 USER MOD Single : A 18 HIS : no HE2:sc= 0.112 K(o=0.11,f=-2.6!) USER MOD Single : A 19 THR OG1 : rot -128:sc= 1.21 USER MOD Single : A 26 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 1.24 (180deg=1.05) USER MOD Single : A 39 HIS : no HD1:sc=-0.00338 X(o=-0.0034,f=-0.43) USER MOD Single : A 40 SER OG : rot 33:sc= 1.33 USER MOD Single : A 46 TYR OH : rot -167:sc= 0.657 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 140:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0301 F(o=-2.5,f=-0.03) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0.62 (180deg=-0.872!) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.008 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 137:sc= -0.163 (180deg=-1.96) USER MOD Single : A 65 SER OG : rot 180:sc= -0.378 USER MOD Single : A 69 THR OG1 : rot -174:sc= 1.82 USER MOD Single : A 70 ASN : amide:sc= 0.114 K(o=0.11,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 1.93 (180deg=0.368) USER MOD Single : A 73 LYS NZ :NH3+ -134:sc= 1.27 (180deg=-0.214) USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.946) USER MOD Single : A 80 MET CE :methyl 165:sc= -0.0969 (180deg=-0.404) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= 1.2 (180deg=-0.995) USER MOD Single : A 92 ASN : amide:sc= 1.2 K(o=1.2,f=-0.8) USER MOD Single : A 97 TYR OH : rot 180:sc=-0.00085 USER MOD Single : A 99 LYS NZ :NH3+ 140:sc= 0.778 (180deg=-3.27!) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0.415 (180deg=0.186) USER MOD Single : A 102 THR OG1 : rot -170:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.618 -9.939 -0.705 1.00 0.00 N ATOM 85 CA GLY A 1 -14.542 -9.151 -1.520 1.00 0.00 C ATOM 86 C GLY A 1 -14.324 -9.414 -3.008 1.00 0.00 C ATOM 87 O GLY A 1 -14.353 -10.557 -3.458 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.854 -9.820 0.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.698 -10.943 -0.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.644 -9.615 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.569 -9.397 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.403 -8.090 -1.311 1.00 0.00 H new ATOM 91 N SER A 2 -14.077 -8.366 -3.792 1.00 0.00 N ATOM 92 CA SER A 2 -13.808 -8.501 -5.225 1.00 0.00 C ATOM 93 C SER A 2 -12.600 -7.692 -5.677 1.00 0.00 C ATOM 94 O SER A 2 -12.551 -6.470 -5.533 1.00 0.00 O ATOM 95 CB SER A 2 -15.039 -8.094 -6.028 1.00 0.00 C ATOM 96 OG SER A 2 -14.802 -8.344 -7.404 1.00 0.00 O ATOM 0 H SER A 2 -14.057 -7.403 -3.455 1.00 0.00 H new ATOM 0 HA SER A 2 -13.575 -9.550 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.910 -8.654 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.258 -7.038 -5.870 1.00 0.00 H new ATOM 0 HG SER A 2 -15.591 -8.086 -7.924 1.00 0.00 H new ATOM 102 N ALA A 3 -11.655 -8.353 -6.350 1.00 0.00 N ATOM 103 CA ALA A 3 -10.532 -7.660 -6.978 1.00 0.00 C ATOM 104 C ALA A 3 -10.971 -6.592 -8.006 1.00 0.00 C ATOM 105 O ALA A 3 -10.230 -5.647 -8.260 1.00 0.00 O ATOM 106 CB ALA A 3 -9.588 -8.699 -7.594 1.00 0.00 C ATOM 0 H ALA A 3 -11.647 -9.366 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.003 -7.101 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.746 -8.192 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.220 -9.364 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.126 -9.281 -8.342 1.00 0.00 H new ATOM 112 N LYS A 4 -12.196 -6.677 -8.556 1.00 0.00 N ATOM 113 CA LYS A 4 -12.779 -5.640 -9.427 1.00 0.00 C ATOM 114 C LYS A 4 -13.267 -4.397 -8.686 1.00 0.00 C ATOM 115 O LYS A 4 -13.163 -3.296 -9.218 1.00 0.00 O ATOM 116 CB LYS A 4 -13.900 -6.246 -10.290 1.00 0.00 C ATOM 117 CG LYS A 4 -13.357 -6.947 -11.548 1.00 0.00 C ATOM 118 CD LYS A 4 -13.047 -5.971 -12.697 1.00 0.00 C ATOM 119 CE LYS A 4 -14.343 -5.462 -13.348 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.078 -4.482 -14.430 1.00 0.00 N ATOM 0 H LYS A 4 -12.814 -7.474 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.969 -5.289 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.467 -6.962 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.593 -5.458 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.450 -7.494 -11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.086 -7.682 -11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.470 -5.128 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.430 -6.468 -13.446 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.900 -6.307 -13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.973 -5.000 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.980 -4.166 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.569 -3.663 -14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.499 -4.929 -15.169 1.00 0.00 H new ATOM 134 N LYS A 5 -13.757 -4.585 -7.466 1.00 0.00 N ATOM 135 CA LYS A 5 -14.157 -3.520 -6.526 1.00 0.00 C ATOM 136 C LYS A 5 -12.939 -2.767 -6.020 1.00 0.00 C ATOM 137 O LYS A 5 -12.866 -1.551 -6.205 1.00 0.00 O ATOM 138 CB LYS A 5 -14.926 -4.091 -5.327 1.00 0.00 C ATOM 139 CG LYS A 5 -16.410 -4.331 -5.600 1.00 0.00 C ATOM 140 CD LYS A 5 -17.211 -3.024 -5.463 1.00 0.00 C ATOM 141 CE LYS A 5 -18.718 -3.278 -5.549 1.00 0.00 C ATOM 142 NZ LYS A 5 -19.169 -4.167 -4.447 1.00 0.00 N ATOM 0 H LYS A 5 -13.896 -5.519 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.810 -2.838 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.465 -5.032 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.828 -3.406 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.538 -4.738 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.797 -5.074 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.975 -2.549 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.913 -2.329 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.254 -2.330 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.960 -3.732 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.195 -4.060 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.953 -5.155 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.676 -3.909 -3.569 1.00 0.00 H new ATOM 156 N GLY A 6 -11.981 -3.486 -5.434 1.00 0.00 N ATOM 157 CA GLY A 6 -10.718 -2.889 -5.011 1.00 0.00 C ATOM 158 C GLY A 6 -9.993 -2.151 -6.142 1.00 0.00 C ATOM 159 O GLY A 6 -9.517 -1.042 -5.927 1.00 0.00 O ATOM 0 H GLY A 6 -12.058 -4.485 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.908 -2.193 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.067 -3.670 -4.619 1.00 0.00 H new ATOM 163 N ALA A 7 -9.991 -2.697 -7.368 1.00 0.00 N ATOM 164 CA ALA A 7 -9.448 -2.024 -8.552 1.00 0.00 C ATOM 165 C ALA A 7 -10.105 -0.658 -8.816 1.00 0.00 C ATOM 166 O ALA A 7 -9.399 0.320 -9.069 1.00 0.00 O ATOM 167 CB ALA A 7 -9.593 -2.920 -9.783 1.00 0.00 C ATOM 0 H ALA A 7 -10.369 -3.624 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.393 -1.838 -8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.186 -2.409 -10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.049 -3.851 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.647 -3.140 -9.951 1.00 0.00 H new ATOM 173 N THR A 8 -11.445 -0.569 -8.798 1.00 0.00 N ATOM 174 CA THR A 8 -12.156 0.717 -8.939 1.00 0.00 C ATOM 175 C THR A 8 -11.914 1.690 -7.782 1.00 0.00 C ATOM 176 O THR A 8 -11.785 2.889 -8.024 1.00 0.00 O ATOM 177 CB THR A 8 -13.671 0.540 -9.141 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.268 -0.394 -8.266 1.00 0.00 O ATOM 179 CG2 THR A 8 -13.970 0.033 -10.549 1.00 0.00 C ATOM 0 H THR A 8 -12.061 -1.374 -8.687 1.00 0.00 H new ATOM 0 HA THR A 8 -11.725 1.155 -9.839 1.00 0.00 H new ATOM 0 HB THR A 8 -14.083 1.530 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.634 -0.630 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.047 -0.086 -10.672 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.598 0.750 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.479 -0.928 -10.701 1.00 0.00 H new ATOM 187 N LEU A 9 -11.805 1.182 -6.548 1.00 0.00 N ATOM 188 CA LEU A 9 -11.548 1.964 -5.333 1.00 0.00 C ATOM 189 C LEU A 9 -10.145 2.563 -5.399 1.00 0.00 C ATOM 190 O LEU A 9 -9.991 3.778 -5.443 1.00 0.00 O ATOM 191 CB LEU A 9 -11.706 1.108 -4.061 1.00 0.00 C ATOM 192 CG LEU A 9 -13.169 0.868 -3.679 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.270 -0.303 -2.695 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.797 2.102 -3.024 1.00 0.00 C ATOM 0 H LEU A 9 -11.896 0.183 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.286 2.765 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.214 0.147 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.196 1.600 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.708 0.645 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.314 -0.466 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.869 -1.204 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.698 -0.073 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.835 1.890 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.245 2.354 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.759 2.942 -3.718 1.00 0.00 H new ATOM 206 N PHE A 10 -9.129 1.703 -5.494 1.00 0.00 N ATOM 207 CA PHE A 10 -7.708 2.022 -5.671 1.00 0.00 C ATOM 208 C PHE A 10 -7.486 3.152 -6.682 1.00 0.00 C ATOM 209 O PHE A 10 -6.705 4.073 -6.420 1.00 0.00 O ATOM 210 CB PHE A 10 -6.987 0.730 -6.097 1.00 0.00 C ATOM 211 CG PHE A 10 -5.517 0.875 -6.433 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.564 0.938 -5.401 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.088 0.878 -7.774 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.198 1.066 -5.707 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.716 0.964 -8.077 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.772 1.079 -7.044 1.00 0.00 C ATOM 0 H PHE A 10 -9.286 0.696 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.298 2.390 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.086 -0.001 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.500 0.320 -6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.882 0.888 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.813 0.814 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.474 1.155 -4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.389 0.941 -9.106 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.722 1.177 -7.278 1.00 0.00 H new ATOM 226 N LYS A 11 -8.231 3.126 -7.801 1.00 0.00 N ATOM 227 CA LYS A 11 -8.187 4.120 -8.885 1.00 0.00 C ATOM 228 C LYS A 11 -8.476 5.560 -8.440 1.00 0.00 C ATOM 229 O LYS A 11 -7.922 6.486 -9.023 1.00 0.00 O ATOM 230 CB LYS A 11 -9.142 3.688 -10.020 1.00 0.00 C ATOM 231 CG LYS A 11 -8.435 3.793 -11.375 1.00 0.00 C ATOM 232 CD LYS A 11 -9.230 3.173 -12.532 1.00 0.00 C ATOM 233 CE LYS A 11 -8.438 3.227 -13.852 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.151 2.484 -13.775 1.00 0.00 N ATOM 0 H LYS A 11 -8.906 2.383 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.158 4.141 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.476 2.664 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.032 4.318 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.246 4.843 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.464 3.302 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.473 2.137 -12.294 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.175 3.703 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.047 2.811 -14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.239 4.267 -14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.780 2.332 -14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.464 3.036 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.308 1.565 -13.315 1.00 0.00 H new ATOM 248 N THR A 12 -9.278 5.730 -7.388 1.00 0.00 N ATOM 249 CA THR A 12 -9.675 7.005 -6.767 1.00 0.00 C ATOM 250 C THR A 12 -9.523 6.962 -5.226 1.00 0.00 C ATOM 251 O THR A 12 -10.343 7.463 -4.451 1.00 0.00 O ATOM 252 CB THR A 12 -11.064 7.415 -7.297 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.381 8.728 -6.912 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.207 6.477 -6.907 1.00 0.00 C ATOM 0 H THR A 12 -9.698 4.931 -6.912 1.00 0.00 H new ATOM 0 HA THR A 12 -8.995 7.805 -7.060 1.00 0.00 H new ATOM 0 HB THR A 12 -10.974 7.346 -8.381 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.235 8.830 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.142 6.849 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.007 5.479 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.288 6.434 -5.821 1.00 0.00 H new ATOM 262 N ARG A 13 -8.446 6.309 -4.759 1.00 0.00 N ATOM 263 CA ARG A 13 -7.964 6.296 -3.360 1.00 0.00 C ATOM 264 C ARG A 13 -6.433 6.362 -3.264 1.00 0.00 C ATOM 265 O ARG A 13 -5.905 7.020 -2.375 1.00 0.00 O ATOM 266 CB ARG A 13 -8.448 5.028 -2.627 1.00 0.00 C ATOM 267 CG ARG A 13 -9.966 4.870 -2.453 1.00 0.00 C ATOM 268 CD ARG A 13 -10.610 5.880 -1.499 1.00 0.00 C ATOM 269 NE ARG A 13 -12.057 5.602 -1.363 1.00 0.00 N ATOM 270 CZ ARG A 13 -13.034 5.960 -2.179 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.820 6.712 -3.223 1.00 0.00 N ATOM 272 NH2 ARG A 13 -14.248 5.528 -1.961 1.00 0.00 N ATOM 0 H ARG A 13 -7.856 5.747 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.378 7.187 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.075 4.159 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.988 5.010 -1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.441 4.960 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.173 3.864 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.129 5.827 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.460 6.892 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.335 5.069 -0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.877 7.042 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.596 6.970 -3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.437 4.919 -1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.006 5.800 -2.587 1.00 0.00 H new ATOM 286 N CYS A 14 -5.733 5.679 -4.174 1.00 0.00 N ATOM 287 CA CYS A 14 -4.302 5.365 -4.068 1.00 0.00 C ATOM 288 C CYS A 14 -3.535 5.684 -5.359 1.00 0.00 C ATOM 289 O CYS A 14 -2.432 6.233 -5.323 1.00 0.00 O ATOM 290 CB CYS A 14 -4.138 3.867 -3.778 1.00 0.00 C ATOM 291 SG CYS A 14 -5.262 3.099 -2.562 1.00 0.00 S ATOM 0 H CYS A 14 -6.156 5.318 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.894 5.980 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.250 3.331 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.116 3.703 -3.437 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.980 1.835 -2.448 1.00 0.00 H new ATOM 296 N LEU A 15 -4.120 5.370 -6.526 1.00 0.00 N ATOM 297 CA LEU A 15 -3.487 5.498 -7.848 1.00 0.00 C ATOM 298 C LEU A 15 -3.057 6.937 -8.202 1.00 0.00 C ATOM 299 O LEU A 15 -2.120 7.149 -8.976 1.00 0.00 O ATOM 300 CB LEU A 15 -4.448 4.908 -8.893 1.00 0.00 C ATOM 301 CG LEU A 15 -3.879 4.833 -10.320 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.719 3.849 -10.462 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.965 4.378 -11.292 1.00 0.00 C ATOM 0 H LEU A 15 -5.073 5.010 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.550 4.941 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.734 3.905 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.357 5.509 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.517 5.837 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.367 3.848 -11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.905 4.148 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.056 2.848 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.553 4.328 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.327 3.393 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.791 5.088 -11.273 1.00 0.00 H new ATOM 315 N GLN A 16 -3.666 7.939 -7.554 1.00 0.00 N ATOM 316 CA GLN A 16 -3.203 9.327 -7.586 1.00 0.00 C ATOM 317 C GLN A 16 -1.698 9.461 -7.274 1.00 0.00 C ATOM 318 O GLN A 16 -1.026 10.263 -7.922 1.00 0.00 O ATOM 319 CB GLN A 16 -4.077 10.218 -6.687 1.00 0.00 C ATOM 320 CG GLN A 16 -4.071 9.853 -5.195 1.00 0.00 C ATOM 321 CD GLN A 16 -4.921 10.838 -4.397 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.127 10.924 -4.548 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.341 11.628 -3.519 1.00 0.00 N ATOM 0 H GLN A 16 -4.503 7.804 -6.987 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.318 9.684 -8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.744 11.250 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.104 10.176 -7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.455 8.842 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.048 9.858 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.333 11.576 -3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.900 12.293 -2.984 1.00 0.00 H new ATOM 332 N CYS A 17 -1.132 8.626 -6.391 1.00 0.00 N ATOM 333 CA CYS A 17 0.281 8.683 -5.981 1.00 0.00 C ATOM 334 C CYS A 17 1.144 7.498 -6.450 1.00 0.00 C ATOM 335 O CYS A 17 2.364 7.637 -6.532 1.00 0.00 O ATOM 336 CB CYS A 17 0.358 8.762 -4.453 1.00 0.00 C ATOM 337 SG CYS A 17 -0.353 10.271 -3.724 1.00 0.00 S ATOM 0 H CYS A 17 -1.652 7.878 -5.932 1.00 0.00 H new ATOM 0 HA CYS A 17 0.689 9.570 -6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.155 7.897 -4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.403 8.689 -4.153 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.233 10.226 -2.430 1.00 0.00 H new ATOM 342 N HIS A 18 0.534 6.354 -6.770 1.00 0.00 N ATOM 343 CA HIS A 18 1.199 5.057 -6.970 1.00 0.00 C ATOM 344 C HIS A 18 1.122 4.507 -8.407 1.00 0.00 C ATOM 345 O HIS A 18 0.389 5.013 -9.253 1.00 0.00 O ATOM 346 CB HIS A 18 0.561 4.059 -5.986 1.00 0.00 C ATOM 347 CG HIS A 18 1.105 4.179 -4.591 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.388 3.851 -4.218 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.415 4.543 -3.464 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.465 3.997 -2.890 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.290 4.417 -2.383 1.00 0.00 N ATOM 0 H HIS A 18 -0.476 6.300 -6.903 1.00 0.00 H new ATOM 0 HA HIS A 18 2.264 5.201 -6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.517 4.218 -5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.726 3.044 -6.348 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.141 3.552 -4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.614 4.867 -3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.351 3.804 -2.303 1.00 0.00 H new ATOM 359 N THR A 19 1.847 3.415 -8.654 1.00 0.00 N ATOM 360 CA THR A 19 1.718 2.500 -9.805 1.00 0.00 C ATOM 361 C THR A 19 1.717 1.049 -9.322 1.00 0.00 C ATOM 362 O THR A 19 2.007 0.766 -8.158 1.00 0.00 O ATOM 363 CB THR A 19 2.816 2.720 -10.851 1.00 0.00 C ATOM 364 OG1 THR A 19 4.089 2.633 -10.260 1.00 0.00 O ATOM 365 CG2 THR A 19 2.678 4.075 -11.541 1.00 0.00 C ATOM 0 H THR A 19 2.589 3.121 -8.019 1.00 0.00 H new ATOM 0 HA THR A 19 0.768 2.719 -10.293 1.00 0.00 H new ATOM 0 HB THR A 19 2.703 1.936 -11.600 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.613 3.428 -10.492 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.475 4.192 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.712 4.131 -12.042 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.748 4.870 -10.799 1.00 0.00 H new ATOM 373 N VAL A 20 1.312 0.128 -10.197 1.00 0.00 N ATOM 374 CA VAL A 20 1.097 -1.295 -9.860 1.00 0.00 C ATOM 375 C VAL A 20 1.612 -2.253 -10.932 1.00 0.00 C ATOM 376 O VAL A 20 1.968 -3.383 -10.628 1.00 0.00 O ATOM 377 CB VAL A 20 -0.397 -1.537 -9.557 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.296 -1.361 -10.791 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.667 -2.900 -8.924 1.00 0.00 C ATOM 0 H VAL A 20 1.119 0.344 -11.175 1.00 0.00 H new ATOM 0 HA VAL A 20 1.686 -1.512 -8.969 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.653 -0.765 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.334 -1.544 -10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.196 -0.345 -11.172 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.996 -2.069 -11.564 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.735 -3.009 -8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.336 -3.688 -9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.123 -2.978 -7.983 1.00 0.00 H new ATOM 389 N GLU A 21 1.693 -1.815 -12.188 1.00 0.00 N ATOM 390 CA GLU A 21 2.146 -2.681 -13.283 1.00 0.00 C ATOM 391 C GLU A 21 3.603 -3.130 -13.104 1.00 0.00 C ATOM 392 O GLU A 21 4.384 -2.555 -12.344 1.00 0.00 O ATOM 393 CB GLU A 21 1.977 -2.004 -14.644 1.00 0.00 C ATOM 394 CG GLU A 21 0.546 -1.505 -14.879 1.00 0.00 C ATOM 395 CD GLU A 21 0.454 -0.729 -16.192 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.501 -1.395 -17.250 1.00 0.00 O ATOM 397 OE2 GLU A 21 0.342 0.513 -16.095 1.00 0.00 O ATOM 0 H GLU A 21 1.452 -0.867 -12.475 1.00 0.00 H new ATOM 0 HA GLU A 21 1.512 -3.567 -13.250 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.668 -1.164 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.247 -2.707 -15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.140 -2.351 -14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.237 -0.867 -14.051 1.00 0.00 H new ATOM 440 N PRO A 25 6.240 2.861 -13.371 1.00 0.00 N ATOM 441 CA PRO A 25 7.171 3.841 -12.816 1.00 0.00 C ATOM 442 C PRO A 25 6.789 4.289 -11.404 1.00 0.00 C ATOM 443 O PRO A 25 5.648 4.675 -11.143 1.00 0.00 O ATOM 444 CB PRO A 25 7.174 5.017 -13.801 1.00 0.00 C ATOM 445 CG PRO A 25 5.826 4.897 -14.510 1.00 0.00 C ATOM 446 CD PRO A 25 5.611 3.388 -14.573 1.00 0.00 C ATOM 0 HA PRO A 25 8.164 3.405 -12.705 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.272 5.972 -13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.004 4.949 -14.504 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.031 5.396 -13.955 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.850 5.344 -15.504 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.549 3.143 -14.601 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.060 2.964 -15.471 1.00 0.00 H new ATOM 454 N HIS A 26 7.759 4.257 -10.489 1.00 0.00 N ATOM 455 CA HIS A 26 7.641 4.913 -9.192 1.00 0.00 C ATOM 456 C HIS A 26 7.376 6.416 -9.399 1.00 0.00 C ATOM 457 O HIS A 26 7.970 7.042 -10.276 1.00 0.00 O ATOM 458 CB HIS A 26 8.931 4.700 -8.391 1.00 0.00 C ATOM 459 CG HIS A 26 9.485 3.296 -8.375 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.791 2.138 -8.110 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.795 2.956 -8.579 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.675 1.122 -8.127 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.904 1.578 -8.399 1.00 0.00 N ATOM 0 H HIS A 26 8.647 3.775 -10.629 1.00 0.00 H new ATOM 0 HA HIS A 26 6.808 4.483 -8.635 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.696 5.365 -8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.749 5.008 -7.361 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.598 3.632 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.428 0.086 -7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.757 1.023 -8.462 1.00 0.00 H new ATOM 471 N LYS A 27 6.442 6.972 -8.631 1.00 0.00 N ATOM 472 CA LYS A 27 5.810 8.279 -8.851 1.00 0.00 C ATOM 473 C LYS A 27 5.926 9.123 -7.567 1.00 0.00 C ATOM 474 O LYS A 27 7.037 9.347 -7.085 1.00 0.00 O ATOM 475 CB LYS A 27 4.386 7.973 -9.367 1.00 0.00 C ATOM 476 CG LYS A 27 3.591 9.154 -9.950 1.00 0.00 C ATOM 477 CD LYS A 27 2.106 8.768 -10.062 1.00 0.00 C ATOM 478 CE LYS A 27 1.271 9.919 -10.632 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.180 9.644 -10.489 1.00 0.00 N ATOM 0 H LYS A 27 6.085 6.504 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 27 6.291 8.905 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.461 7.202 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.810 7.549 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.703 10.031 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.983 9.421 -10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.004 7.891 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.725 8.492 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.522 10.846 -10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.515 10.064 -11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.687 10.017 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.334 8.618 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.537 10.104 -9.628 1.00 0.00 H new ATOM 493 N VAL A 28 4.806 9.578 -7.006 1.00 0.00 N ATOM 494 CA VAL A 28 4.770 10.221 -5.681 1.00 0.00 C ATOM 495 C VAL A 28 5.152 9.202 -4.602 1.00 0.00 C ATOM 496 O VAL A 28 5.834 9.566 -3.649 1.00 0.00 O ATOM 497 CB VAL A 28 3.386 10.828 -5.391 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.347 11.588 -4.063 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.928 11.788 -6.497 1.00 0.00 C ATOM 0 H VAL A 28 3.892 9.514 -7.454 1.00 0.00 H new ATOM 0 HA VAL A 28 5.492 11.037 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 28 2.711 9.974 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.349 11.996 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.593 10.908 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.072 12.402 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.946 12.190 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.643 12.606 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.869 11.251 -7.444 1.00 0.00 H new ATOM 509 N GLY A 29 4.776 7.931 -4.800 1.00 0.00 N ATOM 510 CA GLY A 29 5.257 6.761 -4.062 1.00 0.00 C ATOM 511 C GLY A 29 5.731 5.609 -4.973 1.00 0.00 C ATOM 512 O GLY A 29 5.739 5.745 -6.202 1.00 0.00 O ATOM 0 H GLY A 29 4.094 7.681 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.080 7.063 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.459 6.397 -3.415 1.00 0.00 H new ATOM 516 N PRO A 30 6.136 4.466 -4.387 1.00 0.00 N ATOM 517 CA PRO A 30 6.677 3.301 -5.104 1.00 0.00 C ATOM 518 C PRO A 30 5.635 2.514 -5.929 1.00 0.00 C ATOM 519 O PRO A 30 4.476 2.906 -6.044 1.00 0.00 O ATOM 520 CB PRO A 30 7.323 2.442 -4.010 1.00 0.00 C ATOM 521 CG PRO A 30 6.509 2.761 -2.765 1.00 0.00 C ATOM 522 CD PRO A 30 6.171 4.235 -2.950 1.00 0.00 C ATOM 0 HA PRO A 30 7.388 3.619 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.277 1.381 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.375 2.693 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.612 2.146 -2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.081 2.589 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.211 4.474 -2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.918 4.869 -2.472 1.00 0.00 H new ATOM 530 N ASN A 31 6.066 1.399 -6.533 1.00 0.00 N ATOM 531 CA ASN A 31 5.171 0.414 -7.148 1.00 0.00 C ATOM 532 C ASN A 31 4.557 -0.519 -6.071 1.00 0.00 C ATOM 533 O ASN A 31 5.179 -0.693 -5.023 1.00 0.00 O ATOM 534 CB ASN A 31 6.011 -0.366 -8.172 1.00 0.00 C ATOM 535 CG ASN A 31 5.161 -1.194 -9.109 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.582 -2.203 -8.748 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.083 -0.796 -10.348 1.00 0.00 N ATOM 0 H ASN A 31 7.053 1.155 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 31 4.329 0.897 -7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.611 0.334 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.706 -1.019 -7.645 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.535 -1.330 -11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.570 0.050 -10.644 1.00 0.00 H new ATOM 544 N LEU A 32 3.379 -1.111 -6.321 1.00 0.00 N ATOM 545 CA LEU A 32 2.603 -1.887 -5.341 1.00 0.00 C ATOM 546 C LEU A 32 2.154 -3.314 -5.760 1.00 0.00 C ATOM 547 O LEU A 32 1.388 -3.929 -5.021 1.00 0.00 O ATOM 548 CB LEU A 32 1.392 -1.050 -4.892 1.00 0.00 C ATOM 549 CG LEU A 32 1.677 0.280 -4.175 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.324 0.894 -3.800 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.492 0.123 -2.891 1.00 0.00 C ATOM 0 H LEU A 32 2.928 -1.062 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 32 3.298 -2.081 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.786 -0.835 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.784 -1.666 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 32 2.263 0.901 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.484 1.842 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.261 1.064 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.215 0.212 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.654 1.102 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.950 -0.513 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.454 -0.332 -3.124 1.00 0.00 H new ATOM 563 N HIS A 33 2.614 -3.890 -6.879 1.00 0.00 N ATOM 564 CA HIS A 33 2.703 -5.350 -6.985 1.00 0.00 C ATOM 565 C HIS A 33 4.005 -5.799 -6.319 1.00 0.00 C ATOM 566 O HIS A 33 4.944 -5.027 -6.142 1.00 0.00 O ATOM 567 CB HIS A 33 2.625 -5.848 -8.439 1.00 0.00 C ATOM 568 CG HIS A 33 3.927 -5.934 -9.204 1.00 0.00 C ATOM 569 ND1 HIS A 33 4.784 -4.902 -9.500 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.457 -7.074 -9.748 1.00 0.00 C ATOM 571 CE1 HIS A 33 5.807 -5.413 -10.205 1.00 0.00 C ATOM 572 NE2 HIS A 33 5.639 -6.727 -10.406 1.00 0.00 N ATOM 0 H HIS A 33 2.924 -3.380 -7.706 1.00 0.00 H new ATOM 0 HA HIS A 33 1.844 -5.789 -6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.168 -6.838 -8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.952 -5.189 -8.988 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.665 -3.925 -9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.035 -8.066 -9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.651 -4.842 -10.562 1.00 0.00 H new ATOM 580 N GLY A 34 4.047 -7.066 -5.940 1.00 0.00 N ATOM 581 CA GLY A 34 5.204 -7.730 -5.330 1.00 0.00 C ATOM 582 C GLY A 34 5.575 -7.265 -3.913 1.00 0.00 C ATOM 583 O GLY A 34 6.563 -7.758 -3.371 1.00 0.00 O ATOM 0 H GLY A 34 3.248 -7.691 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.009 -8.802 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.068 -7.581 -5.978 1.00 0.00 H new ATOM 587 N ILE A 35 4.823 -6.338 -3.301 1.00 0.00 N ATOM 588 CA ILE A 35 5.114 -5.807 -1.953 1.00 0.00 C ATOM 589 C ILE A 35 4.810 -6.797 -0.822 1.00 0.00 C ATOM 590 O ILE A 35 5.461 -6.755 0.216 1.00 0.00 O ATOM 591 CB ILE A 35 4.433 -4.438 -1.703 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.886 -4.436 -1.752 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.983 -3.425 -2.716 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.232 -4.670 -0.384 1.00 0.00 C ATOM 0 H ILE A 35 3.990 -5.931 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 35 6.193 -5.650 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 35 4.676 -4.170 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.544 -3.481 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.551 -5.209 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.513 -2.455 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.061 -3.331 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.766 -3.768 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.147 -4.656 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.545 -5.638 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.538 -3.883 0.305 1.00 0.00 H new ATOM 606 N PHE A 36 3.846 -7.701 -1.014 1.00 0.00 N ATOM 607 CA PHE A 36 3.440 -8.719 -0.054 1.00 0.00 C ATOM 608 C PHE A 36 4.584 -9.699 0.200 1.00 0.00 C ATOM 609 O PHE A 36 5.327 -10.074 -0.704 1.00 0.00 O ATOM 610 CB PHE A 36 2.163 -9.425 -0.537 1.00 0.00 C ATOM 611 CG PHE A 36 0.939 -8.548 -0.369 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.346 -8.422 0.902 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.435 -7.804 -1.452 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.743 -7.557 1.091 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.656 -6.937 -1.262 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.251 -6.823 0.009 1.00 0.00 C ATOM 0 H PHE A 36 3.308 -7.741 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 36 3.208 -8.244 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.273 -9.698 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.026 -10.351 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.731 -8.993 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.886 -7.899 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.190 -7.457 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.037 -6.359 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.099 -6.170 0.151 1.00 0.00 H new ATOM 626 N GLY A 37 4.763 -10.041 1.470 1.00 0.00 N ATOM 627 CA GLY A 37 5.906 -10.816 1.976 1.00 0.00 C ATOM 628 C GLY A 37 7.271 -10.111 1.863 1.00 0.00 C ATOM 629 O GLY A 37 8.262 -10.570 2.439 1.00 0.00 O ATOM 0 H GLY A 37 4.102 -9.783 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.725 -11.060 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.955 -11.760 1.433 1.00 0.00 H new ATOM 633 N ARG A 38 7.351 -8.973 1.157 1.00 0.00 N ATOM 634 CA ARG A 38 8.466 -8.027 1.210 1.00 0.00 C ATOM 635 C ARG A 38 8.326 -7.165 2.469 1.00 0.00 C ATOM 636 O ARG A 38 7.388 -7.307 3.250 1.00 0.00 O ATOM 637 CB ARG A 38 8.497 -7.194 -0.095 1.00 0.00 C ATOM 638 CG ARG A 38 9.908 -6.842 -0.585 1.00 0.00 C ATOM 639 CD ARG A 38 10.595 -8.026 -1.279 1.00 0.00 C ATOM 640 NE ARG A 38 12.038 -7.759 -1.439 1.00 0.00 N ATOM 641 CZ ARG A 38 12.828 -7.932 -2.482 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.447 -8.527 -3.576 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.044 -7.475 -2.403 1.00 0.00 N ATOM 0 H ARG A 38 6.615 -8.680 0.514 1.00 0.00 H new ATOM 0 HA ARG A 38 9.421 -8.547 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.980 -7.748 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.939 -6.271 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.851 -6.001 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.514 -6.518 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.449 -8.934 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.140 -8.199 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 38 12.498 -7.380 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.496 -8.886 -3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.100 -8.634 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.357 -7.002 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.684 -7.590 -3.189 1.00 0.00 H new ATOM 657 N HIS A 39 9.317 -6.312 2.687 1.00 0.00 N ATOM 658 CA HIS A 39 9.451 -5.509 3.893 1.00 0.00 C ATOM 659 C HIS A 39 9.436 -4.030 3.516 1.00 0.00 C ATOM 660 O HIS A 39 10.108 -3.651 2.556 1.00 0.00 O ATOM 661 CB HIS A 39 10.722 -5.910 4.636 1.00 0.00 C ATOM 662 CG HIS A 39 10.672 -7.304 5.207 1.00 0.00 C ATOM 663 ND1 HIS A 39 10.597 -8.496 4.515 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.644 -7.600 6.539 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.518 -9.489 5.416 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.555 -8.990 6.658 1.00 0.00 N ATOM 0 H HIS A 39 10.067 -6.156 2.014 1.00 0.00 H new ATOM 0 HA HIS A 39 8.613 -5.686 4.568 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.570 -5.835 3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.899 -5.201 5.445 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.683 -6.890 7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.436 -10.538 5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.524 -9.523 7.527 1.00 0.00 H new ATOM 674 N SER A 40 8.676 -3.211 4.245 1.00 0.00 N ATOM 675 CA SER A 40 8.459 -1.790 3.960 1.00 0.00 C ATOM 676 C SER A 40 9.766 -1.041 3.649 1.00 0.00 C ATOM 677 O SER A 40 10.658 -0.973 4.501 1.00 0.00 O ATOM 678 CB SER A 40 7.750 -1.137 5.156 1.00 0.00 C ATOM 679 OG SER A 40 8.601 -1.150 6.288 1.00 0.00 O ATOM 0 H SER A 40 8.178 -3.528 5.077 1.00 0.00 H new ATOM 0 HA SER A 40 7.838 -1.723 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.473 -0.112 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.827 -1.672 5.378 1.00 0.00 H new ATOM 0 HG SER A 40 9.533 -1.063 5.998 1.00 0.00 H new ATOM 685 N GLY A 41 9.885 -0.473 2.451 1.00 0.00 N ATOM 686 CA GLY A 41 11.121 0.180 1.995 1.00 0.00 C ATOM 687 C GLY A 41 11.997 -0.632 1.043 1.00 0.00 C ATOM 688 O GLY A 41 13.214 -0.488 1.091 1.00 0.00 O ATOM 0 H GLY A 41 9.130 -0.450 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.854 1.115 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.715 0.440 2.871 1.00 0.00 H new ATOM 692 N GLN A 42 11.416 -1.490 0.197 1.00 0.00 N ATOM 693 CA GLN A 42 12.152 -2.357 -0.738 1.00 0.00 C ATOM 694 C GLN A 42 11.729 -2.246 -2.220 1.00 0.00 C ATOM 695 O GLN A 42 12.070 -3.126 -3.010 1.00 0.00 O ATOM 696 CB GLN A 42 12.167 -3.811 -0.217 1.00 0.00 C ATOM 697 CG GLN A 42 13.084 -3.973 1.011 1.00 0.00 C ATOM 698 CD GLN A 42 13.492 -5.424 1.284 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.618 -6.262 0.391 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.725 -5.803 2.522 1.00 0.00 N ATOM 0 H GLN A 42 10.404 -1.605 0.140 1.00 0.00 H new ATOM 0 HA GLN A 42 13.175 -1.981 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.153 -4.113 0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.503 -4.478 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.982 -3.373 0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.575 -3.576 1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.630 -5.134 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.001 -6.765 2.717 1.00 0.00 H new ATOM 741 N TYR A 46 14.489 3.236 -5.576 1.00 0.00 N ATOM 742 CA TYR A 46 13.715 4.389 -5.116 1.00 0.00 C ATOM 743 C TYR A 46 13.923 4.678 -3.625 1.00 0.00 C ATOM 744 O TYR A 46 13.825 3.792 -2.781 1.00 0.00 O ATOM 745 CB TYR A 46 12.257 4.142 -5.497 1.00 0.00 C ATOM 746 CG TYR A 46 11.342 5.326 -5.289 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.810 5.560 -4.011 1.00 0.00 C ATOM 748 CD2 TYR A 46 10.984 6.155 -6.367 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.817 6.539 -3.832 1.00 0.00 C ATOM 750 CE2 TYR A 46 9.995 7.146 -6.195 1.00 0.00 C ATOM 751 CZ TYR A 46 9.382 7.307 -4.936 1.00 0.00 C ATOM 752 OH TYR A 46 8.370 8.192 -4.779 1.00 0.00 O ATOM 0 HA TYR A 46 14.062 5.299 -5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.214 3.847 -6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.880 3.302 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.163 4.988 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.466 6.033 -7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.388 6.704 -2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.709 7.778 -7.023 1.00 0.00 H new ATOM 0 HH TYR A 46 8.050 8.482 -5.659 1.00 0.00 H new ATOM 762 N SER A 47 14.203 5.939 -3.290 1.00 0.00 N ATOM 763 CA SER A 47 14.559 6.381 -1.935 1.00 0.00 C ATOM 764 C SER A 47 13.339 6.757 -1.099 1.00 0.00 C ATOM 765 O SER A 47 12.772 7.841 -1.260 1.00 0.00 O ATOM 766 CB SER A 47 15.525 7.565 -1.984 1.00 0.00 C ATOM 767 OG SER A 47 16.743 7.127 -2.541 1.00 0.00 O ATOM 0 H SER A 47 14.189 6.701 -3.968 1.00 0.00 H new ATOM 0 HA SER A 47 15.043 5.531 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.104 8.373 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.688 7.962 -0.982 1.00 0.00 H new ATOM 0 HG SER A 47 17.373 7.877 -2.581 1.00 0.00 H new ATOM 773 N TYR A 48 12.964 5.865 -0.182 1.00 0.00 N ATOM 774 CA TYR A 48 11.975 6.049 0.883 1.00 0.00 C ATOM 775 C TYR A 48 12.418 7.115 1.925 1.00 0.00 C ATOM 776 O TYR A 48 12.988 8.149 1.573 1.00 0.00 O ATOM 777 CB TYR A 48 11.702 4.661 1.492 1.00 0.00 C ATOM 778 CG TYR A 48 10.956 3.703 0.593 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.627 2.961 -0.398 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.587 3.483 0.831 1.00 0.00 C ATOM 781 CE1 TYR A 48 10.941 1.961 -1.109 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.914 2.450 0.164 1.00 0.00 C ATOM 783 CZ TYR A 48 9.600 1.669 -0.791 1.00 0.00 C ATOM 784 OH TYR A 48 9.011 0.571 -1.314 1.00 0.00 O ATOM 0 H TYR A 48 13.371 4.930 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 48 11.046 6.454 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.654 4.209 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.132 4.791 2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.667 3.160 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.054 4.111 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.441 1.418 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.874 2.252 0.380 1.00 0.00 H new ATOM 0 HH TYR A 48 8.086 0.513 -0.995 1.00 0.00 H new ATOM 794 N THR A 49 12.126 6.894 3.205 1.00 0.00 N ATOM 795 CA THR A 49 12.528 7.689 4.371 1.00 0.00 C ATOM 796 C THR A 49 13.105 6.780 5.444 1.00 0.00 C ATOM 797 O THR A 49 12.810 5.583 5.484 1.00 0.00 O ATOM 798 CB THR A 49 11.324 8.428 4.971 1.00 0.00 C ATOM 799 OG1 THR A 49 10.258 7.524 5.180 1.00 0.00 O ATOM 800 CG2 THR A 49 10.899 9.562 4.048 1.00 0.00 C ATOM 0 H THR A 49 11.558 6.092 3.479 1.00 0.00 H new ATOM 0 HA THR A 49 13.273 8.412 4.039 1.00 0.00 H new ATOM 0 HB THR A 49 11.606 8.855 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.819 7.728 6.032 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.044 10.082 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.726 10.262 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.622 9.155 3.075 1.00 0.00 H new ATOM 808 N ASP A 50 13.891 7.351 6.358 1.00 0.00 N ATOM 809 CA ASP A 50 14.469 6.598 7.469 1.00 0.00 C ATOM 810 C ASP A 50 13.390 5.927 8.338 1.00 0.00 C ATOM 811 O ASP A 50 13.487 4.736 8.627 1.00 0.00 O ATOM 812 CB ASP A 50 15.349 7.539 8.285 1.00 0.00 C ATOM 813 CG ASP A 50 16.142 6.751 9.313 1.00 0.00 C ATOM 814 OD1 ASP A 50 17.175 6.153 8.956 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.764 6.756 10.507 1.00 0.00 O ATOM 0 H ASP A 50 14.142 8.339 6.349 1.00 0.00 H new ATOM 0 HA ASP A 50 15.076 5.784 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.029 8.078 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.731 8.285 8.785 1.00 0.00 H new ATOM 820 N ALA A 51 12.320 6.661 8.666 1.00 0.00 N ATOM 821 CA ALA A 51 11.176 6.174 9.436 1.00 0.00 C ATOM 822 C ALA A 51 10.517 4.919 8.828 1.00 0.00 C ATOM 823 O ALA A 51 10.165 3.996 9.564 1.00 0.00 O ATOM 824 CB ALA A 51 10.168 7.323 9.571 1.00 0.00 C ATOM 0 H ALA A 51 12.226 7.639 8.393 1.00 0.00 H new ATOM 0 HA ALA A 51 11.532 5.858 10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.304 6.984 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.638 8.161 10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.845 7.642 8.580 1.00 0.00 H new ATOM 830 N ASN A 52 10.355 4.870 7.500 1.00 0.00 N ATOM 831 CA ASN A 52 9.867 3.696 6.768 1.00 0.00 C ATOM 832 C ASN A 52 10.888 2.540 6.732 1.00 0.00 C ATOM 833 O ASN A 52 10.540 1.382 6.959 1.00 0.00 O ATOM 834 CB ASN A 52 9.491 4.154 5.351 1.00 0.00 C ATOM 835 CG ASN A 52 9.038 2.982 4.503 1.00 0.00 C ATOM 836 OD1 ASN A 52 9.927 2.371 3.761 1.00 0.00 O flip ATOM 837 ND2 ASN A 52 7.884 2.594 4.509 1.00 0.00 N flip ATOM 0 H ASN A 52 10.564 5.662 6.892 1.00 0.00 H new ATOM 0 HA ASN A 52 8.998 3.291 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.696 4.898 5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.348 4.637 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.189 3.068 5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.612 1.795 3.937 1.00 0.00 H new ATOM 844 N ILE A 53 12.156 2.846 6.452 1.00 0.00 N ATOM 845 CA ILE A 53 13.232 1.847 6.358 1.00 0.00 C ATOM 846 C ILE A 53 13.450 1.165 7.711 1.00 0.00 C ATOM 847 O ILE A 53 13.324 -0.051 7.808 1.00 0.00 O ATOM 848 CB ILE A 53 14.519 2.501 5.829 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.323 2.940 4.355 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.732 1.552 5.923 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.364 3.956 3.871 1.00 0.00 C ATOM 0 H ILE A 53 12.472 3.801 6.282 1.00 0.00 H new ATOM 0 HA ILE A 53 12.940 1.073 5.648 1.00 0.00 H new ATOM 0 HB ILE A 53 14.722 3.370 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.363 2.059 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.328 3.371 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.619 2.056 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.896 1.273 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.539 0.656 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.163 4.216 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.310 4.854 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.361 3.522 3.950 1.00 0.00 H new ATOM 863 N LYS A 54 13.688 1.918 8.789 1.00 0.00 N ATOM 864 CA LYS A 54 13.782 1.396 10.165 1.00 0.00 C ATOM 865 C LYS A 54 12.461 0.838 10.713 1.00 0.00 C ATOM 866 O LYS A 54 12.414 0.406 11.860 1.00 0.00 O ATOM 867 CB LYS A 54 14.358 2.472 11.095 1.00 0.00 C ATOM 868 CG LYS A 54 15.790 2.836 10.683 1.00 0.00 C ATOM 869 CD LYS A 54 16.439 3.745 11.729 1.00 0.00 C ATOM 870 CE LYS A 54 17.808 4.206 11.216 1.00 0.00 C ATOM 871 NZ LYS A 54 18.035 5.629 11.536 1.00 0.00 N ATOM 0 H LYS A 54 13.824 2.927 8.734 1.00 0.00 H new ATOM 0 HA LYS A 54 14.459 0.543 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.728 3.361 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.351 2.112 12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.382 1.928 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.779 3.337 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.801 4.607 11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.552 3.211 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.593 3.598 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.866 4.057 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.763 6.015 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.149 6.159 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.353 5.717 12.522 1.00 0.00 H new ATOM 885 N LYS A 55 11.392 0.827 9.908 1.00 0.00 N ATOM 886 CA LYS A 55 10.198 0.014 10.183 1.00 0.00 C ATOM 887 C LYS A 55 10.378 -1.456 9.773 1.00 0.00 C ATOM 888 O LYS A 55 9.940 -2.314 10.527 1.00 0.00 O ATOM 889 CB LYS A 55 8.963 0.625 9.497 1.00 0.00 C ATOM 890 CG LYS A 55 7.653 0.371 10.254 1.00 0.00 C ATOM 891 CD LYS A 55 7.322 1.470 11.273 1.00 0.00 C ATOM 892 CE LYS A 55 8.208 1.495 12.514 1.00 0.00 C ATOM 893 NZ LYS A 55 7.685 2.489 13.484 1.00 0.00 N ATOM 0 H LYS A 55 11.329 1.378 9.052 1.00 0.00 H new ATOM 0 HA LYS A 55 10.046 0.022 11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.110 1.700 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.877 0.216 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.836 0.291 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.719 -0.587 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.394 2.437 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.286 1.350 11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.236 0.506 12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.231 1.747 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.360 3.275 13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.771 2.854 13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.557 2.035 14.411 1.00 0.00 H new ATOM 907 N ASN A 56 10.969 -1.709 8.592 1.00 0.00 N ATOM 908 CA ASN A 56 11.013 -2.984 7.844 1.00 0.00 C ATOM 909 C ASN A 56 9.871 -3.950 8.231 1.00 0.00 C ATOM 910 O ASN A 56 10.067 -5.053 8.738 1.00 0.00 O ATOM 911 CB ASN A 56 12.439 -3.594 7.845 1.00 0.00 C ATOM 912 CG ASN A 56 13.114 -3.450 6.487 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.308 -4.385 5.725 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.477 -2.249 6.118 1.00 0.00 N ATOM 0 H ASN A 56 11.468 -0.972 8.094 1.00 0.00 H new ATOM 0 HA ASN A 56 10.805 -2.768 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.045 -3.102 8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.383 -4.649 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.914 -2.105 5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.323 -1.456 6.741 1.00 0.00 H new ATOM 921 N VAL A 57 8.648 -3.488 7.988 1.00 0.00 N ATOM 922 CA VAL A 57 7.406 -4.223 8.217 1.00 0.00 C ATOM 923 C VAL A 57 7.189 -5.209 7.089 1.00 0.00 C ATOM 924 O VAL A 57 7.052 -4.814 5.935 1.00 0.00 O ATOM 925 CB VAL A 57 6.238 -3.234 8.401 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.930 -3.565 7.679 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.961 -3.109 9.899 1.00 0.00 C ATOM 0 H VAL A 57 8.488 -2.554 7.611 1.00 0.00 H new ATOM 0 HA VAL A 57 7.466 -4.803 9.138 1.00 0.00 H new ATOM 0 HB VAL A 57 6.571 -2.306 7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.192 -2.792 7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.109 -3.611 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.556 -4.528 8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.137 -2.414 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.695 -4.086 10.303 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.853 -2.738 10.404 1.00 0.00 H new ATOM 937 N LEU A 58 7.184 -6.495 7.435 1.00 0.00 N ATOM 938 CA LEU A 58 6.745 -7.579 6.559 1.00 0.00 C ATOM 939 C LEU A 58 5.260 -7.383 6.227 1.00 0.00 C ATOM 940 O LEU A 58 4.393 -7.488 7.094 1.00 0.00 O ATOM 941 CB LEU A 58 7.044 -8.943 7.206 1.00 0.00 C ATOM 942 CG LEU A 58 7.054 -10.115 6.199 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.723 -11.332 6.842 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.651 -10.545 5.763 1.00 0.00 C ATOM 0 H LEU A 58 7.492 -6.819 8.352 1.00 0.00 H new ATOM 0 HA LEU A 58 7.298 -7.559 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.012 -8.895 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.298 -9.142 7.976 1.00 0.00 H new ATOM 0 HG LEU A 58 7.596 -9.761 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.731 -12.160 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.747 -11.081 7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.168 -11.623 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.727 -11.371 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.081 -10.865 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.145 -9.705 5.287 1.00 0.00 H new ATOM 956 N TRP A 59 4.986 -7.020 4.981 1.00 0.00 N ATOM 957 CA TRP A 59 3.641 -6.773 4.473 1.00 0.00 C ATOM 958 C TRP A 59 2.791 -8.054 4.384 1.00 0.00 C ATOM 959 O TRP A 59 2.789 -8.732 3.357 1.00 0.00 O ATOM 960 CB TRP A 59 3.735 -6.075 3.111 1.00 0.00 C ATOM 961 CG TRP A 59 4.322 -4.697 3.110 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.373 -4.281 2.366 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.883 -3.522 3.859 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.545 -2.929 2.529 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.710 -2.419 3.493 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.877 -3.279 4.818 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.575 -1.145 4.056 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.722 -2.003 5.390 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.571 -0.939 5.021 1.00 0.00 C ATOM 0 H TRP A 59 5.711 -6.885 4.276 1.00 0.00 H new ATOM 0 HA TRP A 59 3.128 -6.124 5.183 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.330 -6.701 2.446 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.733 -6.020 2.685 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.983 -4.915 1.740 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.213 -2.370 1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.219 -4.081 5.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.227 -0.338 3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.944 -1.836 6.120 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.451 0.032 5.478 1.00 0.00 H new ATOM 980 N ASP A 60 2.050 -8.358 5.450 1.00 0.00 N ATOM 981 CA ASP A 60 0.906 -9.285 5.425 1.00 0.00 C ATOM 982 C ASP A 60 -0.354 -8.589 4.861 1.00 0.00 C ATOM 983 O ASP A 60 -0.398 -7.356 4.803 1.00 0.00 O ATOM 984 CB ASP A 60 0.568 -9.751 6.853 1.00 0.00 C ATOM 985 CG ASP A 60 1.770 -10.182 7.689 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.407 -11.188 7.312 1.00 0.00 O ATOM 987 OD2 ASP A 60 1.987 -9.514 8.728 1.00 0.00 O ATOM 0 H ASP A 60 2.227 -7.963 6.374 1.00 0.00 H new ATOM 0 HA ASP A 60 1.186 -10.129 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.054 -8.942 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.131 -10.585 6.792 1.00 0.00 H new ATOM 992 N GLU A 61 -1.439 -9.334 4.592 1.00 0.00 N ATOM 993 CA GLU A 61 -2.787 -8.748 4.424 1.00 0.00 C ATOM 994 C GLU A 61 -3.205 -7.921 5.657 1.00 0.00 C ATOM 995 O GLU A 61 -3.586 -6.757 5.525 1.00 0.00 O ATOM 996 CB GLU A 61 -3.862 -9.813 4.116 1.00 0.00 C ATOM 997 CG GLU A 61 -3.725 -10.461 2.730 1.00 0.00 C ATOM 998 CD GLU A 61 -5.044 -11.122 2.278 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.315 -12.271 2.693 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.762 -10.463 1.493 1.00 0.00 O ATOM 0 H GLU A 61 -1.412 -10.348 4.485 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.719 -8.084 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.814 -10.593 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.847 -9.353 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.428 -9.706 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.932 -11.209 2.754 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.113 -8.494 6.865 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.399 -7.804 8.123 1.00 0.00 C ATOM 1009 C ASN A 62 -2.543 -6.540 8.330 1.00 0.00 C ATOM 1010 O ASN A 62 -3.084 -5.461 8.566 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.197 -8.797 9.279 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.257 -9.875 9.331 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -4.026 -11.016 8.994 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.457 -9.558 9.751 1.00 0.00 N ATOM 0 H ASN A 62 -2.833 -9.466 6.994 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.432 -7.456 8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.217 -9.264 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.197 -8.251 10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.187 -10.269 9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.661 -8.600 10.037 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.214 -6.670 8.266 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.248 -5.606 8.566 1.00 0.00 C ATOM 1023 C ASN A 63 -0.428 -4.383 7.647 1.00 0.00 C ATOM 1024 O ASN A 63 -0.555 -3.256 8.127 1.00 0.00 O ATOM 1025 CB ASN A 63 1.161 -6.220 8.470 1.00 0.00 C ATOM 1026 CG ASN A 63 2.244 -5.427 9.177 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.192 -4.216 9.329 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.273 -6.091 9.646 1.00 0.00 N ATOM 0 H ASN A 63 -0.766 -7.546 7.996 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.411 -5.222 9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.134 -7.226 8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.429 -6.319 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.021 -5.596 10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.326 -7.102 9.524 1.00 0.00 H new ATOM 1035 N MET A 64 -0.552 -4.602 6.331 1.00 0.00 N ATOM 1036 CA MET A 64 -0.816 -3.497 5.404 1.00 0.00 C ATOM 1037 C MET A 64 -2.195 -2.851 5.638 1.00 0.00 C ATOM 1038 O MET A 64 -2.322 -1.634 5.512 1.00 0.00 O ATOM 1039 CB MET A 64 -0.618 -3.957 3.949 1.00 0.00 C ATOM 1040 CG MET A 64 -0.343 -2.764 3.022 1.00 0.00 C ATOM 1041 SD MET A 64 -1.749 -2.268 1.998 1.00 0.00 S ATOM 1042 CE MET A 64 -1.488 -3.414 0.624 1.00 0.00 C ATOM 0 H MET A 64 -0.475 -5.519 5.891 1.00 0.00 H new ATOM 0 HA MET A 64 -0.088 -2.711 5.604 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.213 -4.660 3.897 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.507 -4.488 3.609 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.034 -1.913 3.629 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.495 -3.012 2.370 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.443 -3.843 0.322 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.048 -2.879 -0.218 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.815 -4.212 0.938 1.00 0.00 H new ATOM 1052 N SER A 65 -3.207 -3.616 6.060 1.00 0.00 N ATOM 1053 CA SER A 65 -4.498 -3.063 6.498 1.00 0.00 C ATOM 1054 C SER A 65 -4.358 -2.063 7.645 1.00 0.00 C ATOM 1055 O SER A 65 -4.948 -0.985 7.598 1.00 0.00 O ATOM 1056 CB SER A 65 -5.459 -4.177 6.934 1.00 0.00 C ATOM 1057 OG SER A 65 -6.694 -4.048 6.254 1.00 0.00 O ATOM 0 H SER A 65 -3.157 -4.634 6.109 1.00 0.00 H new ATOM 0 HA SER A 65 -4.901 -2.537 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.019 -5.151 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.621 -4.127 8.011 1.00 0.00 H new ATOM 0 HG SER A 65 -7.300 -4.764 6.537 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.574 -2.392 8.670 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.457 -1.554 9.868 1.00 0.00 C ATOM 1065 C GLU A 66 -2.503 -0.355 9.699 1.00 0.00 C ATOM 1066 O GLU A 66 -2.741 0.711 10.269 1.00 0.00 O ATOM 1067 CB GLU A 66 -3.134 -2.446 11.086 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.051 -2.125 12.279 1.00 0.00 C ATOM 1069 CD GLU A 66 -5.547 -2.191 11.900 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -6.046 -3.251 11.457 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -6.199 -1.121 11.945 1.00 0.00 O ATOM 0 H GLU A 66 -3.006 -3.239 8.697 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.420 -1.076 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.247 -3.495 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.093 -2.303 11.377 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.852 -2.828 13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.817 -1.130 12.657 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.508 -0.467 8.812 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.833 0.691 8.209 1.00 0.00 C ATOM 1080 C TYR A 67 -1.846 1.594 7.491 1.00 0.00 C ATOM 1081 O TYR A 67 -1.869 2.794 7.740 1.00 0.00 O ATOM 1082 CB TYR A 67 0.275 0.207 7.258 1.00 0.00 C ATOM 1083 CG TYR A 67 1.013 1.302 6.503 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.744 2.259 7.229 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.995 1.363 5.094 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.425 3.291 6.559 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.709 2.373 4.414 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.421 3.346 5.151 1.00 0.00 C ATOM 1089 OH TYR A 67 3.078 4.356 4.518 1.00 0.00 O ATOM 0 H TYR A 67 -1.146 -1.365 8.490 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.370 1.289 8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.001 -0.365 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.166 -0.477 6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.783 2.201 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.432 0.633 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.953 4.044 7.126 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.711 2.402 3.334 1.00 0.00 H new ATOM 0 HH TYR A 67 2.546 4.665 3.755 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.742 1.044 6.661 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.822 1.815 6.038 1.00 0.00 C ATOM 1101 C LEU A 68 -4.835 2.407 7.032 1.00 0.00 C ATOM 1102 O LEU A 68 -5.533 3.339 6.643 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.545 0.984 4.961 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.743 0.732 3.677 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.550 -0.204 2.774 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.484 2.022 2.900 1.00 0.00 C ATOM 0 H LEU A 68 -2.738 0.057 6.404 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.331 2.669 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.820 0.022 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.473 1.491 4.696 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.784 0.300 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.993 -0.393 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.727 -1.147 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.505 0.260 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.914 1.796 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.435 2.477 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.918 2.715 3.523 1.00 0.00 H new ATOM 1118 N THR A 69 -4.941 1.952 8.284 1.00 0.00 N ATOM 1119 CA THR A 69 -5.786 2.605 9.306 1.00 0.00 C ATOM 1120 C THR A 69 -5.300 4.004 9.663 1.00 0.00 C ATOM 1121 O THR A 69 -6.120 4.917 9.758 1.00 0.00 O ATOM 1122 CB THR A 69 -5.928 1.754 10.561 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.623 0.602 10.182 1.00 0.00 O ATOM 1124 CG2 THR A 69 -6.757 2.377 11.686 1.00 0.00 C ATOM 0 H THR A 69 -4.449 1.125 8.623 1.00 0.00 H new ATOM 0 HA THR A 69 -6.772 2.707 8.852 1.00 0.00 H new ATOM 0 HB THR A 69 -4.919 1.603 10.945 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.822 0.064 10.976 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.796 1.691 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.298 3.315 12.000 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.769 2.570 11.329 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.989 4.185 9.850 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.364 5.497 10.008 1.00 0.00 C ATOM 1134 C ASN A 70 -1.853 5.411 9.675 1.00 0.00 C ATOM 1135 O ASN A 70 -1.030 5.207 10.580 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.634 6.040 11.426 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.312 7.521 11.509 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.296 7.998 11.023 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.161 8.307 12.133 1.00 0.00 N ATOM 0 H ASN A 70 -3.325 3.412 9.896 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.803 6.205 9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.679 5.876 11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.032 5.492 12.151 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.970 9.306 12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.011 7.918 12.541 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.448 5.584 8.401 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.076 5.307 7.966 1.00 0.00 C ATOM 1148 C PRO A 71 0.905 6.288 8.598 1.00 0.00 C ATOM 1149 O PRO A 71 2.013 5.929 8.993 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.103 5.419 6.435 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.270 6.365 6.173 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.266 5.985 7.265 1.00 0.00 C ATOM 0 HA PRO A 71 0.262 4.319 8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.833 5.817 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.258 4.449 5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.968 7.410 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.689 6.224 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.911 6.826 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.916 5.172 6.941 1.00 0.00 H new ATOM 1160 N LYS A 72 0.461 7.538 8.748 1.00 0.00 N ATOM 1161 CA LYS A 72 1.216 8.662 9.297 1.00 0.00 C ATOM 1162 C LYS A 72 1.472 8.534 10.803 1.00 0.00 C ATOM 1163 O LYS A 72 2.482 9.034 11.289 1.00 0.00 O ATOM 1164 CB LYS A 72 0.454 9.940 8.914 1.00 0.00 C ATOM 1165 CG LYS A 72 1.323 11.204 8.967 1.00 0.00 C ATOM 1166 CD LYS A 72 0.562 12.406 8.385 1.00 0.00 C ATOM 1167 CE LYS A 72 0.432 12.324 6.852 1.00 0.00 C ATOM 1168 NZ LYS A 72 -0.941 12.641 6.388 1.00 0.00 N ATOM 0 H LYS A 72 -0.485 7.805 8.475 1.00 0.00 H new ATOM 0 HA LYS A 72 2.220 8.687 8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.051 9.827 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.396 10.063 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.610 11.412 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.244 11.043 8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.432 12.455 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.079 13.327 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.138 13.015 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.704 11.322 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.899 13.050 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.510 11.771 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.378 13.325 7.039 1.00 0.00 H new ATOM 1182 N LYS A 73 0.609 7.830 11.545 1.00 0.00 N ATOM 1183 CA LYS A 73 0.825 7.488 12.961 1.00 0.00 C ATOM 1184 C LYS A 73 1.640 6.202 13.132 1.00 0.00 C ATOM 1185 O LYS A 73 2.408 6.111 14.095 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.535 7.450 13.688 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.422 7.479 15.223 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.277 6.087 15.870 1.00 0.00 C ATOM 1189 CE LYS A 73 0.606 6.093 17.128 1.00 0.00 C ATOM 1190 NZ LYS A 73 2.007 6.471 16.810 1.00 0.00 N ATOM 0 H LYS A 73 -0.273 7.475 11.176 1.00 0.00 H new ATOM 0 HA LYS A 73 1.434 8.263 13.426 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.135 8.300 13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.070 6.549 13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.437 8.089 15.502 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.306 7.968 15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.266 5.710 16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.146 5.397 15.140 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.197 6.792 17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.591 5.105 17.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.660 5.815 17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.155 6.423 15.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.189 7.440 17.141 1.00 0.00 H new ATOM 1204 N TYR A 74 1.491 5.211 12.247 1.00 0.00 N ATOM 1205 CA TYR A 74 2.293 3.979 12.224 1.00 0.00 C ATOM 1206 C TYR A 74 3.778 4.279 11.920 1.00 0.00 C ATOM 1207 O TYR A 74 4.697 3.831 12.619 1.00 0.00 O ATOM 1208 CB TYR A 74 1.657 3.053 11.168 1.00 0.00 C ATOM 1209 CG TYR A 74 2.007 1.577 11.244 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.347 1.147 11.203 1.00 0.00 C ATOM 1211 CD2 TYR A 74 0.973 0.619 11.314 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.658 -0.225 11.264 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.281 -0.755 11.333 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.624 -1.183 11.312 1.00 0.00 C ATOM 1215 OH TYR A 74 2.924 -2.506 11.345 1.00 0.00 O ATOM 0 H TYR A 74 0.791 5.243 11.506 1.00 0.00 H new ATOM 0 HA TYR A 74 2.290 3.493 13.200 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.574 3.148 11.242 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.942 3.418 10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.142 1.874 11.124 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.057 0.941 11.353 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.690 -0.544 11.274 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.485 -1.484 11.364 1.00 0.00 H new ATOM 0 HH TYR A 74 2.563 -2.943 10.546 1.00 0.00 H new ATOM 1225 N ILE A 75 4.004 5.093 10.886 1.00 0.00 N ATOM 1226 CA ILE A 75 5.305 5.526 10.381 1.00 0.00 C ATOM 1227 C ILE A 75 5.362 7.068 10.422 1.00 0.00 C ATOM 1228 O ILE A 75 5.207 7.722 9.392 1.00 0.00 O ATOM 1229 CB ILE A 75 5.572 4.938 8.970 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.195 3.442 8.846 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.059 5.150 8.641 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.620 2.758 7.538 1.00 0.00 C ATOM 0 H ILE A 75 3.235 5.491 10.347 1.00 0.00 H new ATOM 0 HA ILE A 75 6.107 5.145 11.013 1.00 0.00 H new ATOM 0 HB ILE A 75 4.933 5.459 8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.643 2.902 9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.114 3.348 8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.274 4.745 7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.286 6.216 8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.672 4.640 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.307 1.714 7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.151 3.263 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.704 2.811 7.435 1.00 0.00 H new ATOM 1244 N PRO A 76 5.581 7.687 11.600 1.00 0.00 N ATOM 1245 CA PRO A 76 5.732 9.136 11.707 1.00 0.00 C ATOM 1246 C PRO A 76 7.027 9.563 11.005 1.00 0.00 C ATOM 1247 O PRO A 76 8.113 9.348 11.532 1.00 0.00 O ATOM 1248 CB PRO A 76 5.704 9.445 13.208 1.00 0.00 C ATOM 1249 CG PRO A 76 6.242 8.164 13.845 1.00 0.00 C ATOM 1250 CD PRO A 76 5.743 7.063 12.907 1.00 0.00 C ATOM 0 HA PRO A 76 4.938 9.698 11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.325 10.307 13.452 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.695 9.672 13.553 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.330 8.174 13.909 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.864 8.030 14.858 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.455 6.239 12.860 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.799 6.648 13.260 1.00 0.00 H new ATOM 1258 N GLY A 77 6.913 10.086 9.783 1.00 0.00 N ATOM 1259 CA GLY A 77 8.046 10.389 8.899 1.00 0.00 C ATOM 1260 C GLY A 77 8.012 9.686 7.536 1.00 0.00 C ATOM 1261 O GLY A 77 8.848 9.999 6.697 1.00 0.00 O ATOM 0 H GLY A 77 6.010 10.317 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.081 11.466 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.969 10.114 9.409 1.00 0.00 H new ATOM 1265 N THR A 78 7.049 8.784 7.284 1.00 0.00 N ATOM 1266 CA THR A 78 6.739 8.299 5.921 1.00 0.00 C ATOM 1267 C THR A 78 6.396 9.469 5.003 1.00 0.00 C ATOM 1268 O THR A 78 5.694 10.390 5.425 1.00 0.00 O ATOM 1269 CB THR A 78 5.567 7.292 5.932 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.344 6.753 4.647 1.00 0.00 O ATOM 1271 CG2 THR A 78 4.206 7.847 6.372 1.00 0.00 C ATOM 0 H THR A 78 6.465 8.371 8.011 1.00 0.00 H new ATOM 0 HA THR A 78 7.627 7.791 5.546 1.00 0.00 H new ATOM 0 HB THR A 78 5.900 6.558 6.666 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.662 6.051 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.461 7.052 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.282 8.233 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.907 8.651 5.700 1.00 0.00 H new ATOM 1279 N LYS A 79 6.775 9.414 3.720 1.00 0.00 N ATOM 1280 CA LYS A 79 6.224 10.351 2.720 1.00 0.00 C ATOM 1281 C LYS A 79 4.741 10.104 2.398 1.00 0.00 C ATOM 1282 O LYS A 79 4.146 10.915 1.691 1.00 0.00 O ATOM 1283 CB LYS A 79 7.039 10.355 1.417 1.00 0.00 C ATOM 1284 CG LYS A 79 8.505 10.747 1.586 1.00 0.00 C ATOM 1285 CD LYS A 79 9.154 11.062 0.226 1.00 0.00 C ATOM 1286 CE LYS A 79 10.604 10.572 0.163 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.658 9.116 -0.096 1.00 0.00 N ATOM 0 H LYS A 79 7.449 8.744 3.349 1.00 0.00 H new ATOM 0 HA LYS A 79 6.300 11.331 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.991 9.362 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.571 11.043 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.579 11.617 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.048 9.937 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.576 10.593 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.125 12.137 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.139 11.105 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.110 10.798 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.638 8.836 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.320 8.602 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.054 8.886 -0.910 1.00 0.00 H new ATOM 1301 N MET A 80 4.115 9.020 2.875 1.00 0.00 N ATOM 1302 CA MET A 80 2.706 8.706 2.627 1.00 0.00 C ATOM 1303 C MET A 80 1.756 9.723 3.293 1.00 0.00 C ATOM 1304 O MET A 80 1.177 9.498 4.357 1.00 0.00 O ATOM 1305 CB MET A 80 2.435 7.238 2.986 1.00 0.00 C ATOM 1306 CG MET A 80 0.998 6.835 2.643 1.00 0.00 C ATOM 1307 SD MET A 80 0.775 5.124 2.064 1.00 0.00 S ATOM 1308 CE MET A 80 -0.953 4.855 2.507 1.00 0.00 C ATOM 0 H MET A 80 4.585 8.325 3.455 1.00 0.00 H new ATOM 0 HA MET A 80 2.490 8.811 1.564 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.133 6.596 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.614 7.083 4.050 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.378 6.984 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.624 7.511 1.874 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.327 3.970 1.992 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.034 4.710 3.584 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.543 5.723 2.212 1.00 0.00 H new ATOM 1318 N ALA A 81 1.562 10.856 2.612 1.00 0.00 N ATOM 1319 CA ALA A 81 0.776 12.007 3.054 1.00 0.00 C ATOM 1320 C ALA A 81 -0.739 11.768 3.184 1.00 0.00 C ATOM 1321 O ALA A 81 -1.458 12.642 3.666 1.00 0.00 O ATOM 1322 CB ALA A 81 1.099 13.208 2.156 1.00 0.00 C ATOM 0 H ALA A 81 1.971 11.001 1.689 1.00 0.00 H new ATOM 0 HA ALA A 81 1.078 12.211 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.517 14.071 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.162 13.440 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.849 12.968 1.123 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.188 10.560 2.864 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.531 10.003 3.065 1.00 0.00 C ATOM 1330 C PHE A 82 -3.037 10.085 4.531 1.00 0.00 C ATOM 1331 O PHE A 82 -2.290 10.399 5.466 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.516 8.559 2.523 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.863 7.852 2.497 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.949 8.424 1.806 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.042 6.633 3.181 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.210 7.804 1.844 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.297 6.002 3.201 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.386 6.601 2.548 1.00 0.00 C ATOM 0 H PHE A 82 -0.571 9.881 2.418 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.252 10.609 2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.115 8.575 1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.828 7.970 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.813 9.338 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.207 6.180 3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.047 8.254 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.423 5.061 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.360 6.136 2.587 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.335 9.826 4.726 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.044 9.917 6.012 1.00 0.00 C ATOM 1350 C GLY A 83 -5.314 8.561 6.666 1.00 0.00 C ATOM 1351 O GLY A 83 -4.867 8.319 7.784 1.00 0.00 O ATOM 0 H GLY A 83 -4.947 9.535 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.458 10.530 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.993 10.431 5.857 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.024 7.675 5.963 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.329 6.307 6.387 1.00 0.00 C ATOM 1357 C GLY A 84 -7.688 5.805 5.883 1.00 0.00 C ATOM 1358 O GLY A 84 -8.513 6.577 5.397 1.00 0.00 O ATOM 0 H GLY A 84 -6.417 7.900 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.546 5.639 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.313 6.259 7.476 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.956 4.503 6.001 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.197 3.818 5.638 1.00 0.00 C ATOM 1364 C LEU A 85 -9.839 3.159 6.876 1.00 0.00 C ATOM 1365 O LEU A 85 -9.562 2.006 7.205 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.900 2.786 4.533 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.456 3.326 3.159 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.293 2.154 2.184 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.452 4.302 2.526 1.00 0.00 C ATOM 0 H LEU A 85 -7.264 3.856 6.379 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.916 4.542 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.122 2.115 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.796 2.184 4.385 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.523 3.861 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.979 2.531 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.540 1.465 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.244 1.631 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.070 4.638 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.410 3.802 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.586 5.162 3.183 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.734 3.881 7.562 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.412 3.439 8.803 1.00 0.00 C ATOM 1383 C LYS A 86 -12.718 2.632 8.600 1.00 0.00 C ATOM 1384 O LYS A 86 -13.456 2.408 9.561 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.591 4.659 9.742 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.953 4.466 11.131 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.607 3.354 11.969 1.00 0.00 C ATOM 1388 CE LYS A 86 -10.961 3.199 13.355 1.00 0.00 C ATOM 1389 NZ LYS A 86 -11.286 4.328 14.266 1.00 0.00 N ATOM 0 H LYS A 86 -11.019 4.815 7.267 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.760 2.704 9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.153 5.538 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.655 4.860 9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.895 4.238 11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.013 5.405 11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.668 3.572 12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.535 2.409 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.296 2.265 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.879 3.128 13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.826 4.175 15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.943 5.218 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.316 4.382 14.398 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.032 2.208 7.372 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.148 1.302 7.045 1.00 0.00 C ATOM 1405 C LYS A 87 -13.590 0.000 6.480 1.00 0.00 C ATOM 1406 O LYS A 87 -13.128 -0.049 5.341 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.145 1.966 6.073 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.121 2.963 6.729 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.217 2.286 7.575 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.291 3.310 7.980 1.00 0.00 C ATOM 1411 NZ LYS A 87 -19.409 2.687 8.740 1.00 0.00 N ATOM 0 H LYS A 87 -12.502 2.493 6.548 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.705 1.079 7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.583 2.486 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.723 1.185 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.557 3.648 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.593 3.563 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.674 1.475 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.775 1.842 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.834 4.092 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.687 3.791 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.107 3.416 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.864 1.959 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.038 2.250 9.608 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.661 -1.065 7.279 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.087 -2.368 6.912 1.00 0.00 C ATOM 1427 C GLU A 88 -13.628 -2.904 5.575 1.00 0.00 C ATOM 1428 O GLU A 88 -12.885 -3.509 4.821 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.328 -3.406 8.021 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.192 -4.442 8.047 1.00 0.00 C ATOM 1431 CD GLU A 88 -12.567 -5.701 8.834 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -12.432 -5.702 10.075 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -13.034 -6.690 8.222 1.00 0.00 O ATOM 0 H GLU A 88 -14.114 -1.054 8.193 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.016 -2.205 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.394 -2.906 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.282 -3.908 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.934 -4.719 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.303 -3.992 8.489 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.894 -2.634 5.215 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.480 -3.073 3.943 1.00 0.00 C ATOM 1442 C LYS A 89 -14.762 -2.578 2.693 1.00 0.00 C ATOM 1443 O LYS A 89 -14.697 -3.301 1.708 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.967 -2.716 3.883 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.376 -1.225 3.861 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.588 -0.979 2.937 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.273 -0.481 1.511 1.00 0.00 C ATOM 1448 NZ LYS A 89 -17.112 -1.132 0.852 1.00 0.00 N ATOM 0 H LYS A 89 -15.539 -2.104 5.801 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.352 -4.155 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.383 -3.185 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.452 -3.178 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.618 -0.899 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.533 -0.621 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.151 -1.909 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.241 -0.250 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.155 -0.632 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.092 0.593 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.261 -1.147 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.246 -0.599 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.015 -2.106 1.202 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.303 -1.331 2.711 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.437 -0.750 1.689 1.00 0.00 C ATOM 1464 C ASP A 90 -12.062 -1.415 1.752 1.00 0.00 C ATOM 1465 O ASP A 90 -11.624 -1.953 0.736 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.359 0.781 1.856 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.386 1.523 0.989 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.555 1.044 0.985 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.021 2.547 0.370 1.00 0.00 O ATOM 0 H ASP A 90 -14.530 -0.676 3.460 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.853 -0.936 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.520 1.037 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.356 1.120 1.596 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.412 -1.474 2.931 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.111 -2.159 3.087 1.00 0.00 C ATOM 1476 C ARG A 91 -10.124 -3.606 2.584 1.00 0.00 C ATOM 1477 O ARG A 91 -9.159 -4.001 1.947 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.566 -2.103 4.532 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.058 -0.710 4.954 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.809 -0.734 5.865 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.076 -0.682 7.318 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.400 -1.663 8.140 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -8.730 -2.843 7.707 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.380 -1.473 9.425 1.00 0.00 N ATOM 0 H ARG A 91 -11.766 -1.055 3.791 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.430 -1.594 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.352 -2.416 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.752 -2.821 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.828 -0.134 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.861 -0.186 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.242 -1.640 5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.172 0.110 5.600 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.999 0.241 7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.744 -3.033 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.975 -3.579 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.113 -0.563 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.631 -2.233 10.057 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.184 -4.377 2.810 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.275 -5.779 2.396 1.00 0.00 C ATOM 1500 C ASN A 92 -11.396 -5.947 0.870 1.00 0.00 C ATOM 1501 O ASN A 92 -10.703 -6.788 0.298 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.422 -6.465 3.155 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.177 -6.527 4.657 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.071 -6.377 5.145 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.209 -6.770 5.429 1.00 0.00 N ATOM 0 H ASN A 92 -12.018 -4.043 3.293 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.339 -6.272 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.351 -5.928 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.554 -7.476 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.086 -6.834 6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.134 -6.895 5.019 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.218 -5.133 0.192 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.257 -5.050 -1.283 1.00 0.00 C ATOM 1514 C ASP A 93 -10.894 -4.587 -1.855 1.00 0.00 C ATOM 1515 O ASP A 93 -10.346 -5.223 -2.760 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.392 -4.101 -1.750 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.750 -4.763 -2.064 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.763 -5.930 -2.519 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.781 -4.044 -2.006 1.00 0.00 O ATOM 0 H ASP A 93 -12.881 -4.508 0.651 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.461 -6.050 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.549 -3.349 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.053 -3.575 -2.643 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.334 -3.493 -1.316 1.00 0.00 N ATOM 1525 CA LEU A 94 -9.048 -2.877 -1.696 1.00 0.00 C ATOM 1526 C LEU A 94 -7.885 -3.872 -1.560 1.00 0.00 C ATOM 1527 O LEU A 94 -7.066 -4.002 -2.468 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.817 -1.608 -0.837 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.895 -0.494 -1.384 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.524 -0.942 -1.876 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.573 0.277 -2.512 1.00 0.00 C ATOM 0 H LEU A 94 -10.791 -2.983 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.088 -2.590 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.792 -1.162 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.413 -1.929 0.123 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.721 0.134 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.966 -0.077 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.979 -1.410 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.645 -1.659 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.901 1.054 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.814 -0.406 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.489 0.735 -2.140 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.823 -4.614 -0.454 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.866 -5.700 -0.257 1.00 0.00 C ATOM 1545 C ILE A 95 -7.155 -6.879 -1.186 1.00 0.00 C ATOM 1546 O ILE A 95 -6.215 -7.343 -1.818 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.790 -6.083 1.233 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -5.983 -4.978 1.950 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.129 -7.448 1.452 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.046 -5.060 3.472 1.00 0.00 C ATOM 0 H ILE A 95 -8.446 -4.474 0.341 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.871 -5.354 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.800 -6.165 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.941 -5.039 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.356 -4.004 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.100 -7.671 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.703 -8.217 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.113 -7.428 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.456 -4.252 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.082 -4.968 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.645 -6.019 3.802 1.00 0.00 H new ATOM 1562 N THR A 96 -8.408 -7.323 -1.359 1.00 0.00 N ATOM 1563 CA THR A 96 -8.736 -8.386 -2.337 1.00 0.00 C ATOM 1564 C THR A 96 -8.192 -8.050 -3.735 1.00 0.00 C ATOM 1565 O THR A 96 -7.655 -8.925 -4.417 1.00 0.00 O ATOM 1566 CB THR A 96 -10.245 -8.705 -2.407 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.767 -9.065 -1.146 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.527 -9.919 -3.298 1.00 0.00 C ATOM 0 H THR A 96 -9.212 -6.969 -0.840 1.00 0.00 H new ATOM 0 HA THR A 96 -8.240 -9.286 -1.974 1.00 0.00 H new ATOM 0 HB THR A 96 -10.703 -7.795 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.558 -8.365 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.600 -10.112 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.172 -9.719 -4.309 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.010 -10.792 -2.898 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.242 -6.778 -4.144 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.505 -6.283 -5.307 1.00 0.00 C ATOM 1578 C TYR A 97 -5.984 -6.394 -5.145 1.00 0.00 C ATOM 1579 O TYR A 97 -5.363 -7.133 -5.900 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.931 -4.853 -5.636 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.049 -4.162 -6.654 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.028 -4.630 -7.980 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.208 -3.101 -6.264 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.173 -4.038 -8.925 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.346 -2.510 -7.207 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.333 -2.973 -8.538 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.498 -2.422 -9.453 1.00 0.00 O ATOM 0 H TYR A 97 -8.797 -6.062 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.762 -6.927 -6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.955 -4.868 -6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.935 -4.266 -4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.671 -5.447 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.225 -2.742 -5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.159 -4.397 -9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.694 -1.701 -6.910 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.985 -1.699 -9.035 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.364 -5.671 -4.208 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.909 -5.558 -4.116 1.00 0.00 C ATOM 1599 C LEU A 98 -3.195 -6.902 -3.877 1.00 0.00 C ATOM 1600 O LEU A 98 -2.118 -7.136 -4.425 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.583 -4.488 -3.058 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.000 -3.217 -3.701 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.073 -2.023 -2.756 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.537 -3.403 -4.093 1.00 0.00 C ATOM 0 H LEU A 98 -5.862 -5.146 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.513 -5.243 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.487 -4.235 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.871 -4.892 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.605 -3.030 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.652 -1.145 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.113 -1.829 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.506 -2.240 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.161 -2.484 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.950 -3.639 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.454 -4.219 -4.810 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.848 -7.834 -3.179 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.485 -9.257 -3.132 1.00 0.00 C ATOM 1618 C LYS A 99 -3.444 -9.845 -4.551 1.00 0.00 C ATOM 1619 O LYS A 99 -2.401 -10.327 -4.982 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.446 -9.998 -2.173 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.840 -11.226 -1.473 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.369 -12.367 -2.380 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.519 -13.005 -3.173 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.017 -14.057 -4.086 1.00 0.00 N ATOM 0 H LYS A 99 -4.668 -7.616 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.479 -9.384 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.790 -9.297 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.325 -10.315 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.992 -10.894 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.582 -11.625 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.620 -11.988 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.883 -13.131 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.246 -13.434 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.038 -12.238 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.675 -14.862 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.944 -13.674 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.079 -14.375 -3.767 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.529 -9.741 -5.330 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.612 -10.185 -6.747 1.00 0.00 C ATOM 1640 C LYS A 100 -3.756 -9.363 -7.723 1.00 0.00 C ATOM 1641 O LYS A 100 -3.589 -9.766 -8.866 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.085 -10.219 -7.198 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.523 -11.477 -7.980 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.206 -11.521 -9.491 1.00 0.00 C ATOM 1645 CE LYS A 100 -4.907 -12.231 -9.909 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.817 -13.631 -9.448 1.00 0.00 N ATOM 0 H LYS A 100 -5.402 -9.336 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.188 -11.189 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.717 -10.125 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.275 -9.344 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.056 -12.344 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.600 -11.591 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.038 -12.010 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.166 -10.496 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.827 -12.210 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.057 -11.674 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.861 -13.996 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.014 -13.674 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.513 -14.210 -9.960 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.218 -8.217 -7.313 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.212 -7.469 -8.075 1.00 0.00 C ATOM 1662 C ALA A 101 -0.811 -8.107 -7.984 1.00 0.00 C ATOM 1663 O ALA A 101 0.012 -7.889 -8.872 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.191 -6.008 -7.608 1.00 0.00 C ATOM 0 H ALA A 101 -3.470 -7.773 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.494 -7.503 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.443 -5.455 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.172 -5.561 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.943 -5.969 -6.547 1.00 0.00 H new ATOM 1670 N THR A 102 -0.553 -8.907 -6.938 1.00 0.00 N ATOM 1671 CA THR A 102 0.663 -9.731 -6.768 1.00 0.00 C ATOM 1672 C THR A 102 0.431 -11.209 -7.136 1.00 0.00 C ATOM 1673 O THR A 102 1.326 -11.833 -7.699 1.00 0.00 O ATOM 1674 CB THR A 102 1.183 -9.644 -5.322 1.00 0.00 C ATOM 1675 OG1 THR A 102 1.452 -8.291 -5.014 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.495 -10.392 -5.080 1.00 0.00 C ATOM 0 H THR A 102 -1.204 -9.004 -6.159 1.00 0.00 H new ATOM 0 HA THR A 102 1.407 -9.326 -7.454 1.00 0.00 H new ATOM 0 HB THR A 102 0.405 -10.095 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.929 -8.239 -4.159 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.791 -10.280 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.358 -11.449 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.272 -9.981 -5.724 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.758 -11.759 -6.842 1.00 0.00 N ATOM 1685 CA GLU A 103 -1.089 -13.202 -6.900 1.00 0.00 C ATOM 1686 C GLU A 103 -2.402 -13.532 -7.627 1.00 0.00 C ATOM 1687 O GLU A 103 -2.331 -13.951 -8.799 1.00 0.00 O ATOM 1688 CB GLU A 103 -1.233 -13.742 -5.480 1.00 0.00 C ATOM 1689 CG GLU A 103 -0.029 -13.885 -4.546 1.00 0.00 C ATOM 1690 CD GLU A 103 -0.498 -14.461 -3.187 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.665 -14.934 -3.104 1.00 0.00 O ATOM 1692 OE2 GLU A 103 0.287 -14.404 -2.219 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.510 -13.440 -7.026 1.00 0.00 O ATOM 0 H GLU A 103 -1.552 -11.191 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.272 -13.658 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.953 -13.102 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.687 -14.729 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.717 -14.542 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.447 -12.916 -4.398 1.00 0.00 H new