USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1119 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 128 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.43) USER MOD Set 1.2: A 129 ASN : amide:sc= 0 X(o=-0.24,f=-0.24) USER MOD Set 2.1: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -158:sc= 0.52 (180deg=-0.594!) USER MOD Set 3.1: A 59 HIS :FLIP no HD1:sc= 0.733 F(o=-1.1,f=1.6) USER MOD Set 3.2: A 61 SER OG : rot 91:sc= 0.864 USER MOD Set 4.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 48 GLN :FLIP amide:sc= 0.693 F(o=-2.3!,f=1.7) USER MOD Set 5.2: A 74 TYR OH : rot -108:sc= 1.03 USER MOD Set 6.1: A 32 THR OG1 : rot 87:sc= 1.02 USER MOD Set 6.2: A 33 HIS : no HD1:sc= 1.84 K(o=2.9,f=-6.3!) USER MOD Set 7.1: A 18 HIS : no HD1:sc=-0.00635 K(o=1.2,f=-3.4!) USER MOD Set 7.2: A 105 TYR OH : rot -165:sc= 0.492 USER MOD Set 7.3: A 119 HIS : no HE2:sc= 0.673 K(o=1.2,f=-4.3!) USER MOD Single : A 11 GLN : amide:sc= 0.508 K(o=0.51,f=-4.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0647) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 36 MET CE :methyl 161:sc= -1.49 (180deg=-2.08!) USER MOD Single : A 44 HIS : no HE2:sc= -0.908 K(o=-0.91,f=-1.6) USER MOD Single : A 45 SER OG : rot -6:sc= -0.378! USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.47) USER MOD Single : A 57 HIS : no HD1:sc= 1 K(o=1,f=-4.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 4:sc= 0.288 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 116:sc= 1.26 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= -2.5! (180deg=-3.44!) USER MOD Single : A 94 ASN : amide:sc= -2.5! C(o=-2.5!,f=-11!) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 1.15 (180deg=1) USER MOD Single : A 110 HIS : no HE2:sc= 0.18 K(o=0.18,f=-5.7!) USER MOD Single : A 118 ASN : amide:sc= -0.664 K(o=-0.66,f=-1.8) USER MOD Single : A 122 CYS SG : rot 31:sc= 0.0753 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -164:sc= 2.31 (180deg=1.67) USER MOD Single : A 140 LYS NZ :NH3+ -152:sc= -0.0672 (180deg=-0.655) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 22.999 3.108 8.320 1.00 0.00 N ATOM 100 CA ALA A 9 21.644 2.630 8.099 1.00 0.00 C ATOM 101 C ALA A 9 20.926 3.498 7.079 1.00 0.00 C ATOM 102 O ALA A 9 20.741 4.697 7.287 1.00 0.00 O ATOM 103 CB ALA A 9 20.870 2.592 9.413 1.00 0.00 C ATOM 0 HA ALA A 9 21.699 1.616 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.858 2.232 9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.372 1.923 10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.827 3.594 9.839 1.00 0.00 H new ATOM 109 N VAL A 10 20.523 2.886 5.978 1.00 0.00 N ATOM 110 CA VAL A 10 19.793 3.585 4.945 1.00 0.00 C ATOM 111 C VAL A 10 18.319 3.280 5.116 1.00 0.00 C ATOM 112 O VAL A 10 17.904 2.126 5.026 1.00 0.00 O ATOM 113 CB VAL A 10 20.248 3.175 3.526 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.642 4.096 2.482 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.764 3.163 3.410 1.00 0.00 C ATOM 0 H VAL A 10 20.693 1.900 5.780 1.00 0.00 H new ATOM 0 HA VAL A 10 19.988 4.653 5.047 1.00 0.00 H new ATOM 0 HB VAL A 10 19.892 2.161 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.975 3.790 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.555 4.039 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.961 5.121 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.049 2.870 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.153 4.159 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.178 2.451 4.124 1.00 0.00 H new ATOM 125 N GLN A 11 17.539 4.302 5.405 1.00 0.00 N ATOM 126 CA GLN A 11 16.133 4.104 5.690 1.00 0.00 C ATOM 127 C GLN A 11 15.265 4.723 4.623 1.00 0.00 C ATOM 128 O GLN A 11 15.360 5.915 4.326 1.00 0.00 O ATOM 129 CB GLN A 11 15.742 4.616 7.069 1.00 0.00 C ATOM 130 CG GLN A 11 16.839 5.341 7.828 1.00 0.00 C ATOM 131 CD GLN A 11 17.092 6.750 7.322 1.00 0.00 C ATOM 132 OE1 GLN A 11 17.876 6.958 6.398 1.00 0.00 O ATOM 133 NE2 GLN A 11 16.450 7.728 7.935 1.00 0.00 N ATOM 0 H GLN A 11 17.852 5.272 5.449 1.00 0.00 H new ATOM 0 HA GLN A 11 15.964 3.027 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.892 5.290 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.405 3.771 7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.572 5.384 8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.762 4.766 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.807 7.516 8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 11 16.597 8.695 7.645 1.00 0.00 H new ATOM 142 N VAL A 12 14.412 3.893 4.062 1.00 0.00 N ATOM 143 CA VAL A 12 13.528 4.295 3.002 1.00 0.00 C ATOM 144 C VAL A 12 12.120 4.447 3.552 1.00 0.00 C ATOM 145 O VAL A 12 11.708 3.696 4.439 1.00 0.00 O ATOM 146 CB VAL A 12 13.539 3.254 1.864 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.891 3.230 1.161 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.225 1.880 2.409 1.00 0.00 C ATOM 0 H VAL A 12 14.316 2.915 4.334 1.00 0.00 H new ATOM 0 HA VAL A 12 13.868 5.249 2.598 1.00 0.00 H new ATOM 0 HB VAL A 12 12.775 3.538 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.873 2.488 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.099 4.213 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.670 2.972 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.236 1.155 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.973 1.603 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.239 1.889 2.873 1.00 0.00 H new ATOM 158 N LYS A 13 11.398 5.437 3.069 1.00 0.00 N ATOM 159 CA LYS A 13 10.062 5.682 3.551 1.00 0.00 C ATOM 160 C LYS A 13 9.031 5.393 2.485 1.00 0.00 C ATOM 161 O LYS A 13 9.109 5.889 1.363 1.00 0.00 O ATOM 162 CB LYS A 13 9.935 7.113 4.069 1.00 0.00 C ATOM 163 CG LYS A 13 10.538 7.286 5.444 1.00 0.00 C ATOM 164 CD LYS A 13 10.433 8.722 5.930 1.00 0.00 C ATOM 165 CE LYS A 13 11.060 8.884 7.304 1.00 0.00 C ATOM 166 NZ LYS A 13 11.092 10.303 7.749 1.00 0.00 N ATOM 0 H LYS A 13 11.716 6.081 2.345 1.00 0.00 H new ATOM 0 HA LYS A 13 9.871 5.001 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.425 7.793 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.882 7.393 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.032 6.626 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.586 6.985 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.928 9.386 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.385 9.020 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.500 8.292 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.076 8.489 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.528 10.362 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.648 10.866 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.122 10.675 7.793 1.00 0.00 H new ATOM 180 N LEU A 14 8.084 4.556 2.847 1.00 0.00 N ATOM 181 CA LEU A 14 6.956 4.257 1.989 1.00 0.00 C ATOM 182 C LEU A 14 5.699 4.779 2.648 1.00 0.00 C ATOM 183 O LEU A 14 5.574 4.755 3.867 1.00 0.00 O ATOM 184 CB LEU A 14 6.828 2.760 1.740 1.00 0.00 C ATOM 185 CG LEU A 14 8.013 2.109 1.022 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.870 0.604 1.041 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.099 2.591 -0.414 1.00 0.00 C ATOM 0 H LEU A 14 8.073 4.064 3.741 1.00 0.00 H new ATOM 0 HA LEU A 14 7.108 4.739 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.687 2.260 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.927 2.583 1.152 1.00 0.00 H new ATOM 0 HG LEU A 14 8.926 2.393 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.718 0.151 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.842 0.254 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.947 0.320 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.948 2.117 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.181 2.330 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.230 3.673 -0.427 1.00 0.00 H new ATOM 199 N GLU A 15 4.782 5.248 1.851 1.00 0.00 N ATOM 200 CA GLU A 15 3.605 5.912 2.363 1.00 0.00 C ATOM 201 C GLU A 15 2.346 5.148 1.989 1.00 0.00 C ATOM 202 O GLU A 15 2.124 4.830 0.816 1.00 0.00 O ATOM 203 CB GLU A 15 3.567 7.343 1.823 1.00 0.00 C ATOM 204 CG GLU A 15 2.386 8.163 2.304 1.00 0.00 C ATOM 205 CD GLU A 15 2.472 9.607 1.854 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.474 9.852 0.627 1.00 0.00 O ATOM 207 OE2 GLU A 15 2.541 10.500 2.725 1.00 0.00 O ATOM 0 H GLU A 15 4.823 5.185 0.834 1.00 0.00 H new ATOM 0 HA GLU A 15 3.650 5.943 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.488 7.851 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.549 7.307 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.462 7.722 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.339 8.125 3.392 1.00 0.00 H new ATOM 214 N LEU A 16 1.543 4.837 3.000 1.00 0.00 N ATOM 215 CA LEU A 16 0.246 4.215 2.790 1.00 0.00 C ATOM 216 C LEU A 16 -0.808 5.297 2.771 1.00 0.00 C ATOM 217 O LEU A 16 -0.848 6.145 3.662 1.00 0.00 O ATOM 218 CB LEU A 16 -0.133 3.231 3.899 1.00 0.00 C ATOM 219 CG LEU A 16 0.652 1.920 3.992 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.662 1.194 2.665 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.066 2.158 4.483 1.00 0.00 C ATOM 0 H LEU A 16 1.772 5.008 3.979 1.00 0.00 H new ATOM 0 HA LEU A 16 0.304 3.665 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.034 3.748 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.187 2.982 3.779 1.00 0.00 H new ATOM 0 HG LEU A 16 0.146 1.287 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.227 0.267 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.361 0.966 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.128 1.825 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.597 1.208 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.584 2.823 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.036 2.614 5.472 1.00 0.00 H new ATOM 233 N GLY A 17 -1.656 5.260 1.779 1.00 0.00 N ATOM 234 CA GLY A 17 -2.725 6.227 1.701 1.00 0.00 C ATOM 235 C GLY A 17 -3.938 5.656 1.022 1.00 0.00 C ATOM 236 O GLY A 17 -3.819 4.801 0.147 1.00 0.00 O ATOM 0 H GLY A 17 -1.632 4.580 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.991 6.558 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.382 7.106 1.156 1.00 0.00 H new ATOM 240 N HIS A 18 -5.106 6.110 1.433 1.00 0.00 N ATOM 241 CA HIS A 18 -6.343 5.633 0.847 1.00 0.00 C ATOM 242 C HIS A 18 -7.428 6.688 0.986 1.00 0.00 C ATOM 243 O HIS A 18 -7.459 7.444 1.959 1.00 0.00 O ATOM 244 CB HIS A 18 -6.768 4.295 1.499 1.00 0.00 C ATOM 245 CG HIS A 18 -8.027 4.353 2.319 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.077 4.902 3.582 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.289 3.942 2.042 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.311 4.828 4.043 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.062 4.250 3.130 1.00 0.00 N ATOM 0 H HIS A 18 -5.224 6.807 2.169 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.186 5.449 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.900 3.552 0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.955 3.945 2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.622 3.462 1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.648 5.182 5.006 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.061 4.061 3.218 1.00 0.00 H new ATOM 258 N ARG A 19 -8.313 6.721 0.011 1.00 0.00 N ATOM 259 CA ARG A 19 -9.446 7.620 0.027 1.00 0.00 C ATOM 260 C ARG A 19 -10.712 6.814 -0.150 1.00 0.00 C ATOM 261 O ARG A 19 -10.676 5.739 -0.744 1.00 0.00 O ATOM 262 CB ARG A 19 -9.340 8.648 -1.094 1.00 0.00 C ATOM 263 CG ARG A 19 -8.051 9.443 -1.083 1.00 0.00 C ATOM 264 CD ARG A 19 -7.981 10.359 -2.283 1.00 0.00 C ATOM 265 NE ARG A 19 -8.981 11.423 -2.222 1.00 0.00 N ATOM 266 CZ ARG A 19 -8.785 12.657 -2.680 1.00 0.00 C ATOM 267 NH1 ARG A 19 -7.614 13.003 -3.202 1.00 0.00 N ATOM 268 NH2 ARG A 19 -9.760 13.551 -2.600 1.00 0.00 N ATOM 0 H ARG A 19 -8.266 6.124 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.463 8.150 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.431 8.136 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.181 9.338 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.987 10.030 -0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.198 8.764 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.986 10.800 -2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.128 9.776 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.885 11.206 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.857 12.321 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.471 13.951 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.657 13.292 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.614 14.498 -2.950 1.00 0.00 H new ATOM 282 N ALA A 20 -11.818 7.309 0.374 1.00 0.00 N ATOM 283 CA ALA A 20 -13.090 6.628 0.209 1.00 0.00 C ATOM 284 C ALA A 20 -14.206 7.606 -0.106 1.00 0.00 C ATOM 285 O ALA A 20 -14.290 8.685 0.486 1.00 0.00 O ATOM 286 CB ALA A 20 -13.438 5.826 1.447 1.00 0.00 C ATOM 0 H ALA A 20 -11.863 8.173 0.914 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.986 5.946 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.395 5.325 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.663 5.081 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.507 6.494 2.306 1.00 0.00 H new ATOM 292 N GLN A 21 -15.062 7.206 -1.034 1.00 0.00 N ATOM 293 CA GLN A 21 -16.229 7.983 -1.410 1.00 0.00 C ATOM 294 C GLN A 21 -17.443 7.071 -1.459 1.00 0.00 C ATOM 295 O GLN A 21 -17.316 5.876 -1.715 1.00 0.00 O ATOM 296 CB GLN A 21 -16.034 8.635 -2.781 1.00 0.00 C ATOM 297 CG GLN A 21 -15.947 7.647 -3.928 1.00 0.00 C ATOM 298 CD GLN A 21 -16.633 8.150 -5.179 1.00 0.00 C ATOM 299 OE1 GLN A 21 -16.023 8.826 -6.009 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.905 7.814 -5.327 1.00 0.00 N ATOM 0 H GLN A 21 -14.965 6.330 -1.548 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.375 8.769 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.861 9.320 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.123 9.234 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.899 7.443 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.398 6.702 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.370 7.253 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.419 8.117 -6.154 1.00 0.00 H new ATOM 309 N VAL A 22 -18.609 7.606 -1.169 1.00 0.00 N ATOM 310 CA VAL A 22 -19.825 6.833 -1.318 1.00 0.00 C ATOM 311 C VAL A 22 -20.607 7.288 -2.546 1.00 0.00 C ATOM 312 O VAL A 22 -20.677 8.482 -2.848 1.00 0.00 O ATOM 313 CB VAL A 22 -20.716 6.891 -0.055 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.188 8.306 0.227 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.895 5.941 -0.198 1.00 0.00 C ATOM 0 H VAL A 22 -18.742 8.560 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.527 5.793 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.116 6.573 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.812 8.310 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.325 8.953 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.767 8.672 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.514 5.992 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.489 6.226 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.528 4.923 -0.328 1.00 0.00 H new ATOM 325 N ARG A 23 -21.156 6.333 -3.271 1.00 0.00 N ATOM 326 CA ARG A 23 -22.084 6.632 -4.348 1.00 0.00 C ATOM 327 C ARG A 23 -23.500 6.390 -3.848 1.00 0.00 C ATOM 328 O ARG A 23 -23.776 5.371 -3.214 1.00 0.00 O ATOM 329 CB ARG A 23 -21.791 5.776 -5.587 1.00 0.00 C ATOM 330 CG ARG A 23 -21.233 4.406 -5.253 1.00 0.00 C ATOM 331 CD ARG A 23 -21.706 3.335 -6.221 1.00 0.00 C ATOM 332 NE ARG A 23 -21.291 3.595 -7.596 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.421 2.835 -8.263 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.854 1.791 -7.669 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.103 3.120 -9.519 1.00 0.00 N ATOM 0 H ARG A 23 -20.975 5.339 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.970 7.675 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.709 5.656 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.082 6.304 -6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.144 4.448 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.530 4.133 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.316 2.368 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.793 3.269 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.689 4.404 -8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -20.084 1.569 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.189 1.212 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.525 3.925 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.437 2.534 -10.022 1.00 0.00 H new ATOM 349 N LYS A 24 -24.389 7.336 -4.117 1.00 0.00 N ATOM 350 CA LYS A 24 -25.751 7.275 -3.605 1.00 0.00 C ATOM 351 C LYS A 24 -26.554 6.207 -4.341 1.00 0.00 C ATOM 352 O LYS A 24 -27.696 5.909 -3.984 1.00 0.00 O ATOM 353 CB LYS A 24 -26.425 8.637 -3.747 1.00 0.00 C ATOM 354 CG LYS A 24 -27.586 8.848 -2.793 1.00 0.00 C ATOM 355 CD LYS A 24 -27.116 8.899 -1.349 1.00 0.00 C ATOM 356 CE LYS A 24 -28.262 9.211 -0.407 1.00 0.00 C ATOM 357 NZ LYS A 24 -27.801 9.372 0.996 1.00 0.00 N ATOM 0 H LYS A 24 -24.191 8.157 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.714 7.008 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.683 9.418 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.783 8.750 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -28.100 9.776 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.309 8.041 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.668 7.943 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -26.339 9.657 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -28.760 10.124 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.000 8.411 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -28.615 9.584 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -27.348 8.492 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -27.116 10.153 1.049 1.00 0.00 H new ATOM 371 N LYS A 25 -25.950 5.639 -5.370 1.00 0.00 N ATOM 372 CA LYS A 25 -26.572 4.569 -6.122 1.00 0.00 C ATOM 373 C LYS A 25 -25.597 3.402 -6.256 1.00 0.00 C ATOM 374 O LYS A 25 -24.663 3.444 -7.067 1.00 0.00 O ATOM 375 CB LYS A 25 -27.027 5.081 -7.499 1.00 0.00 C ATOM 376 CG LYS A 25 -27.917 4.110 -8.257 1.00 0.00 C ATOM 377 CD LYS A 25 -27.134 3.247 -9.224 1.00 0.00 C ATOM 378 CE LYS A 25 -27.951 2.043 -9.647 1.00 0.00 C ATOM 379 NZ LYS A 25 -29.224 2.428 -10.313 1.00 0.00 N ATOM 0 H LYS A 25 -25.023 5.905 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.456 4.217 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.563 6.021 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.146 5.298 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -28.442 3.471 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.676 4.668 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.858 3.832 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -26.206 2.917 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -27.361 1.427 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -28.172 1.432 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -29.707 1.574 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -29.837 2.921 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -29.020 3.059 -11.114 1.00 0.00 H new ATOM 393 N PRO A 26 -25.782 2.361 -5.424 1.00 0.00 N ATOM 394 CA PRO A 26 -24.959 1.151 -5.465 1.00 0.00 C ATOM 395 C PRO A 26 -24.999 0.480 -6.828 1.00 0.00 C ATOM 396 O PRO A 26 -25.952 0.643 -7.589 1.00 0.00 O ATOM 397 CB PRO A 26 -25.589 0.237 -4.408 1.00 0.00 C ATOM 398 CG PRO A 26 -26.356 1.144 -3.514 1.00 0.00 C ATOM 399 CD PRO A 26 -26.806 2.294 -4.369 1.00 0.00 C ATOM 0 HA PRO A 26 -23.909 1.373 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -26.241 -0.506 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.825 -0.309 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.210 0.628 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.736 1.492 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.799 2.121 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.856 3.222 -3.799 1.00 0.00 H new ATOM 407 N THR A 27 -23.961 -0.283 -7.124 1.00 0.00 N ATOM 408 CA THR A 27 -23.865 -0.970 -8.400 1.00 0.00 C ATOM 409 C THR A 27 -24.823 -2.160 -8.426 1.00 0.00 C ATOM 410 O THR A 27 -25.512 -2.421 -7.436 1.00 0.00 O ATOM 411 CB THR A 27 -22.411 -1.435 -8.686 1.00 0.00 C ATOM 412 OG1 THR A 27 -22.328 -2.148 -9.929 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.885 -2.312 -7.561 1.00 0.00 C ATOM 0 H THR A 27 -23.172 -0.442 -6.497 1.00 0.00 H new ATOM 0 HA THR A 27 -24.147 -0.268 -9.185 1.00 0.00 H new ATOM 0 HB THR A 27 -21.795 -0.539 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.402 -2.427 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.865 -2.623 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.893 -1.750 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.519 -3.193 -7.460 1.00 0.00 H new ATOM 421 N VAL A 28 -24.861 -2.867 -9.543 1.00 0.00 N ATOM 422 CA VAL A 28 -25.719 -4.034 -9.717 1.00 0.00 C ATOM 423 C VAL A 28 -25.625 -5.000 -8.531 1.00 0.00 C ATOM 424 O VAL A 28 -26.626 -5.569 -8.092 1.00 0.00 O ATOM 425 CB VAL A 28 -25.359 -4.764 -11.026 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.857 -4.997 -11.125 1.00 0.00 C ATOM 427 CG2 VAL A 28 -26.116 -6.075 -11.147 1.00 0.00 C ATOM 0 H VAL A 28 -24.294 -2.648 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.748 -3.680 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.658 -4.124 -11.856 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -23.630 -5.514 -12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.338 -4.039 -11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.527 -5.606 -10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.842 -6.568 -12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.862 -6.721 -10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.188 -5.878 -11.142 1.00 0.00 H new ATOM 437 N GLU A 29 -24.426 -5.146 -7.989 1.00 0.00 N ATOM 438 CA GLU A 29 -24.180 -6.105 -6.923 1.00 0.00 C ATOM 439 C GLU A 29 -24.322 -5.467 -5.540 1.00 0.00 C ATOM 440 O GLU A 29 -24.079 -6.113 -4.520 1.00 0.00 O ATOM 441 CB GLU A 29 -22.793 -6.707 -7.106 1.00 0.00 C ATOM 442 CG GLU A 29 -22.590 -7.291 -8.499 1.00 0.00 C ATOM 443 CD GLU A 29 -21.223 -7.902 -8.681 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.279 -7.165 -9.034 1.00 0.00 O ATOM 445 OE2 GLU A 29 -21.085 -9.123 -8.475 1.00 0.00 O ATOM 0 H GLU A 29 -23.605 -4.610 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.931 -6.893 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -22.040 -5.940 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.638 -7.488 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.350 -8.050 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.735 -6.507 -9.242 1.00 0.00 H new ATOM 452 N GLY A 30 -24.709 -4.196 -5.513 1.00 0.00 N ATOM 453 CA GLY A 30 -25.027 -3.537 -4.260 1.00 0.00 C ATOM 454 C GLY A 30 -23.811 -3.035 -3.517 1.00 0.00 C ATOM 455 O GLY A 30 -23.777 -3.042 -2.287 1.00 0.00 O ATOM 0 H GLY A 30 -24.808 -3.608 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.693 -2.698 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.572 -4.232 -3.621 1.00 0.00 H new ATOM 459 N PHE A 31 -22.807 -2.608 -4.256 1.00 0.00 N ATOM 460 CA PHE A 31 -21.625 -2.020 -3.654 1.00 0.00 C ATOM 461 C PHE A 31 -21.818 -0.505 -3.568 1.00 0.00 C ATOM 462 O PHE A 31 -22.030 0.159 -4.587 1.00 0.00 O ATOM 463 CB PHE A 31 -20.374 -2.378 -4.468 1.00 0.00 C ATOM 464 CG PHE A 31 -20.215 -3.859 -4.747 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.710 -4.814 -3.870 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.564 -4.291 -5.890 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.562 -6.163 -4.132 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.413 -5.637 -6.156 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.913 -6.575 -5.276 1.00 0.00 C ATOM 0 H PHE A 31 -22.785 -2.657 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.483 -2.418 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.407 -1.843 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.493 -2.024 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.218 -4.499 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -19.168 -3.564 -6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.955 -6.894 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.903 -5.956 -7.053 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.796 -7.629 -5.483 1.00 0.00 H new ATOM 479 N THR A 32 -21.781 0.022 -2.350 1.00 0.00 N ATOM 480 CA THR A 32 -22.147 1.414 -2.088 1.00 0.00 C ATOM 481 C THR A 32 -20.929 2.335 -1.969 1.00 0.00 C ATOM 482 O THR A 32 -20.992 3.517 -2.311 1.00 0.00 O ATOM 483 CB THR A 32 -22.955 1.522 -0.783 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.197 0.996 0.316 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.254 0.774 -0.897 1.00 0.00 C ATOM 0 H THR A 32 -21.499 -0.497 -1.519 1.00 0.00 H new ATOM 0 HA THR A 32 -22.743 1.735 -2.943 1.00 0.00 H new ATOM 0 HB THR A 32 -23.168 2.576 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.626 1.701 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.809 0.864 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.845 1.193 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.052 -0.278 -1.099 1.00 0.00 H new ATOM 493 N HIS A 33 -19.833 1.796 -1.469 1.00 0.00 N ATOM 494 CA HIS A 33 -18.663 2.601 -1.142 1.00 0.00 C ATOM 495 C HIS A 33 -17.500 2.298 -2.075 1.00 0.00 C ATOM 496 O HIS A 33 -17.134 1.142 -2.261 1.00 0.00 O ATOM 497 CB HIS A 33 -18.245 2.338 0.305 1.00 0.00 C ATOM 498 CG HIS A 33 -19.038 3.097 1.320 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.273 2.697 1.780 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.746 4.236 1.987 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.702 3.557 2.686 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.793 4.500 2.830 1.00 0.00 N ATOM 0 H HIS A 33 -19.725 0.800 -1.278 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.930 3.651 -1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.339 1.272 0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.191 2.593 0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.851 4.830 1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.640 3.497 3.219 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.858 5.296 3.465 1.00 0.00 H new ATOM 511 N ASP A 34 -16.917 3.342 -2.642 1.00 0.00 N ATOM 512 CA ASP A 34 -15.760 3.205 -3.515 1.00 0.00 C ATOM 513 C ASP A 34 -14.536 3.726 -2.790 1.00 0.00 C ATOM 514 O ASP A 34 -14.630 4.676 -2.009 1.00 0.00 O ATOM 515 CB ASP A 34 -15.946 4.002 -4.810 1.00 0.00 C ATOM 516 CG ASP A 34 -17.264 3.727 -5.498 1.00 0.00 C ATOM 517 OD1 ASP A 34 -17.397 2.662 -6.138 1.00 0.00 O ATOM 518 OD2 ASP A 34 -18.167 4.582 -5.411 1.00 0.00 O ATOM 0 H ASP A 34 -17.230 4.304 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.641 2.152 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.876 5.067 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.131 3.766 -5.494 1.00 0.00 H new ATOM 523 N TRP A 35 -13.394 3.115 -3.026 1.00 0.00 N ATOM 524 CA TRP A 35 -12.171 3.574 -2.398 1.00 0.00 C ATOM 525 C TRP A 35 -10.961 3.364 -3.290 1.00 0.00 C ATOM 526 O TRP A 35 -10.995 2.585 -4.244 1.00 0.00 O ATOM 527 CB TRP A 35 -11.960 2.898 -1.038 1.00 0.00 C ATOM 528 CG TRP A 35 -12.000 1.396 -1.061 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.052 0.588 -0.716 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.922 0.523 -1.416 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.686 -0.735 -0.844 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.385 -0.798 -1.272 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.609 0.733 -1.848 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.575 -1.901 -1.537 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.809 -0.362 -2.107 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.294 -1.661 -1.952 1.00 0.00 C ATOM 0 H TRP A 35 -13.286 2.308 -3.641 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.280 4.647 -2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.997 3.214 -0.638 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.725 3.256 -0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.022 0.936 -0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.286 -1.537 -0.651 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.227 1.735 -1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.945 -2.909 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.791 -0.211 -2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.643 -2.496 -2.165 1.00 0.00 H new ATOM 547 N MET A 36 -9.898 4.079 -2.958 1.00 0.00 N ATOM 548 CA MET A 36 -8.640 3.995 -3.677 1.00 0.00 C ATOM 549 C MET A 36 -7.474 3.974 -2.692 1.00 0.00 C ATOM 550 O MET A 36 -7.463 4.733 -1.725 1.00 0.00 O ATOM 551 CB MET A 36 -8.480 5.193 -4.617 1.00 0.00 C ATOM 552 CG MET A 36 -7.109 5.275 -5.263 1.00 0.00 C ATOM 553 SD MET A 36 -6.789 6.876 -6.010 1.00 0.00 S ATOM 554 CE MET A 36 -6.821 7.880 -4.533 1.00 0.00 C ATOM 0 H MET A 36 -9.885 4.737 -2.178 1.00 0.00 H new ATOM 0 HA MET A 36 -8.642 3.076 -4.263 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.238 5.136 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.666 6.111 -4.059 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.346 5.070 -4.513 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.024 4.500 -6.025 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.321 8.829 -4.727 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.855 8.068 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.307 7.357 -3.726 1.00 0.00 H new ATOM 564 N VAL A 37 -6.512 3.100 -2.938 1.00 0.00 N ATOM 565 CA VAL A 37 -5.286 3.040 -2.145 1.00 0.00 C ATOM 566 C VAL A 37 -4.089 3.437 -2.994 1.00 0.00 C ATOM 567 O VAL A 37 -4.081 3.175 -4.190 1.00 0.00 O ATOM 568 CB VAL A 37 -5.037 1.627 -1.590 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.729 1.443 -0.267 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.519 0.581 -2.578 1.00 0.00 C ATOM 0 H VAL A 37 -6.554 2.412 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.410 3.733 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.964 1.505 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.539 0.437 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.348 2.173 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.802 1.586 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.337 -0.414 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.587 0.711 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.980 0.694 -3.519 1.00 0.00 H new ATOM 580 N PHE A 38 -3.094 4.073 -2.390 1.00 0.00 N ATOM 581 CA PHE A 38 -1.881 4.417 -3.104 1.00 0.00 C ATOM 582 C PHE A 38 -0.644 4.245 -2.203 1.00 0.00 C ATOM 583 O PHE A 38 -0.613 4.713 -1.063 1.00 0.00 O ATOM 584 CB PHE A 38 -2.023 5.847 -3.703 1.00 0.00 C ATOM 585 CG PHE A 38 -1.997 6.995 -2.733 1.00 0.00 C ATOM 586 CD1 PHE A 38 -0.797 7.495 -2.287 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.170 7.606 -2.317 1.00 0.00 C ATOM 588 CE1 PHE A 38 -0.749 8.579 -1.442 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.135 8.690 -1.463 1.00 0.00 C ATOM 590 CZ PHE A 38 -1.924 9.181 -1.025 1.00 0.00 C ATOM 0 H PHE A 38 -3.107 4.358 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.730 3.732 -3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.219 5.994 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.961 5.892 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.124 7.029 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.121 7.230 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.203 8.960 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.055 9.153 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.892 10.031 -0.360 1.00 0.00 H new ATOM 600 N VAL A 39 0.340 3.498 -2.721 1.00 0.00 N ATOM 601 CA VAL A 39 1.579 3.170 -2.011 1.00 0.00 C ATOM 602 C VAL A 39 2.800 3.737 -2.757 1.00 0.00 C ATOM 603 O VAL A 39 3.085 3.335 -3.883 1.00 0.00 O ATOM 604 CB VAL A 39 1.709 1.636 -1.863 1.00 0.00 C ATOM 605 CG1 VAL A 39 0.837 1.163 -0.723 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.311 0.916 -3.139 1.00 0.00 C ATOM 0 H VAL A 39 0.295 3.100 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 39 1.543 3.623 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 39 2.754 1.404 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.929 0.082 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.154 1.645 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.202 1.421 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.415 -0.160 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.275 1.151 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.957 1.239 -3.955 1.00 0.00 H new ATOM 616 N ARG A 40 3.522 4.671 -2.126 1.00 0.00 N ATOM 617 CA ARG A 40 4.608 5.421 -2.800 1.00 0.00 C ATOM 618 C ARG A 40 5.586 5.991 -1.787 1.00 0.00 C ATOM 619 O ARG A 40 5.344 5.928 -0.590 1.00 0.00 O ATOM 620 CB ARG A 40 4.072 6.601 -3.642 1.00 0.00 C ATOM 621 CG ARG A 40 2.876 6.277 -4.480 1.00 0.00 C ATOM 622 CD ARG A 40 3.028 6.897 -5.870 1.00 0.00 C ATOM 623 NE ARG A 40 4.141 6.286 -6.594 1.00 0.00 N ATOM 624 CZ ARG A 40 4.906 6.942 -7.465 1.00 0.00 C ATOM 625 NH1 ARG A 40 4.667 8.219 -7.742 1.00 0.00 N ATOM 626 NH2 ARG A 40 5.924 6.325 -8.047 1.00 0.00 N ATOM 0 H ARG A 40 3.380 4.931 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 40 5.102 4.703 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.818 7.422 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.870 6.957 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.763 5.196 -4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.973 6.655 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.105 6.765 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.194 7.970 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 40 4.343 5.301 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.894 8.704 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.257 8.715 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.121 5.349 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.510 6.827 -8.714 1.00 0.00 H new ATOM 640 N GLY A 41 6.700 6.537 -2.275 1.00 0.00 N ATOM 641 CA GLY A 41 7.620 7.240 -1.409 1.00 0.00 C ATOM 642 C GLY A 41 7.306 8.724 -1.321 1.00 0.00 C ATOM 643 O GLY A 41 6.572 9.257 -2.156 1.00 0.00 O ATOM 0 H GLY A 41 6.977 6.502 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.583 6.803 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.637 7.107 -1.778 1.00 0.00 H new ATOM 647 N PRO A 42 7.848 9.403 -0.305 1.00 0.00 N ATOM 648 CA PRO A 42 7.672 10.848 -0.078 1.00 0.00 C ATOM 649 C PRO A 42 8.240 11.728 -1.185 1.00 0.00 C ATOM 650 O PRO A 42 8.814 11.240 -2.162 1.00 0.00 O ATOM 651 CB PRO A 42 8.422 11.106 1.237 1.00 0.00 C ATOM 652 CG PRO A 42 8.541 9.767 1.873 1.00 0.00 C ATOM 653 CD PRO A 42 8.676 8.797 0.743 1.00 0.00 C ATOM 0 HA PRO A 42 6.612 11.102 -0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.402 11.546 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.875 11.800 1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.407 9.722 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.664 9.542 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.713 8.687 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.319 7.804 1.017 1.00 0.00 H new ATOM 661 N GLU A 43 8.029 13.030 -1.021 1.00 0.00 N ATOM 662 CA GLU A 43 8.488 14.039 -1.966 1.00 0.00 C ATOM 663 C GLU A 43 9.919 13.774 -2.424 1.00 0.00 C ATOM 664 O GLU A 43 10.822 13.604 -1.606 1.00 0.00 O ATOM 665 CB GLU A 43 8.416 15.439 -1.346 1.00 0.00 C ATOM 666 CG GLU A 43 7.070 15.787 -0.729 1.00 0.00 C ATOM 667 CD GLU A 43 6.891 15.177 0.646 1.00 0.00 C ATOM 668 OE1 GLU A 43 7.412 15.749 1.623 1.00 0.00 O ATOM 669 OE2 GLU A 43 6.252 14.109 0.751 1.00 0.00 O ATOM 0 H GLU A 43 7.530 13.417 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 43 7.827 13.985 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.186 15.523 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.650 16.175 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.975 16.871 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.272 15.439 -1.385 1.00 0.00 H new ATOM 676 N HIS A 44 10.074 13.677 -3.736 1.00 0.00 N ATOM 677 CA HIS A 44 11.371 13.581 -4.424 1.00 0.00 C ATOM 678 C HIS A 44 11.971 12.179 -4.321 1.00 0.00 C ATOM 679 O HIS A 44 12.839 11.822 -5.115 1.00 0.00 O ATOM 680 CB HIS A 44 12.383 14.675 -3.948 1.00 0.00 C ATOM 681 CG HIS A 44 13.431 14.226 -2.955 1.00 0.00 C ATOM 682 ND1 HIS A 44 14.502 13.417 -3.288 1.00 0.00 N ATOM 683 CD2 HIS A 44 13.581 14.506 -1.635 1.00 0.00 C ATOM 684 CE1 HIS A 44 15.255 13.223 -2.222 1.00 0.00 C ATOM 685 NE2 HIS A 44 14.720 13.873 -1.210 1.00 0.00 N ATOM 0 H HIS A 44 9.282 13.662 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 44 11.173 13.773 -5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.891 15.077 -4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.818 15.494 -3.503 1.00 0.00 H new ATOM 0 HD1 HIS A 44 14.682 13.030 -4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 44 12.924 15.115 -1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.158 12.631 -2.186 1.00 0.00 H new ATOM 694 N SER A 45 11.521 11.385 -3.363 1.00 0.00 N ATOM 695 CA SER A 45 12.020 10.029 -3.238 1.00 0.00 C ATOM 696 C SER A 45 11.211 9.102 -4.139 1.00 0.00 C ATOM 697 O SER A 45 10.016 8.889 -3.917 1.00 0.00 O ATOM 698 CB SER A 45 11.956 9.554 -1.776 1.00 0.00 C ATOM 699 OG SER A 45 10.632 9.549 -1.292 1.00 0.00 O ATOM 0 H SER A 45 10.821 11.652 -2.671 1.00 0.00 H new ATOM 0 HA SER A 45 13.064 10.008 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.376 8.551 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.570 10.205 -1.154 1.00 0.00 H new ATOM 0 HG SER A 45 10.038 9.949 -1.961 1.00 0.00 H new ATOM 705 N ASN A 46 11.851 8.573 -5.169 1.00 0.00 N ATOM 706 CA ASN A 46 11.197 7.617 -6.047 1.00 0.00 C ATOM 707 C ASN A 46 11.460 6.219 -5.543 1.00 0.00 C ATOM 708 O ASN A 46 12.613 5.823 -5.371 1.00 0.00 O ATOM 709 CB ASN A 46 11.708 7.748 -7.485 1.00 0.00 C ATOM 710 CG ASN A 46 10.757 8.515 -8.378 1.00 0.00 C ATOM 711 OD1 ASN A 46 9.853 7.937 -8.982 1.00 0.00 O ATOM 712 ND2 ASN A 46 10.965 9.813 -8.492 1.00 0.00 N ATOM 0 H ASN A 46 12.817 8.788 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 46 10.126 7.822 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.676 8.249 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.867 6.753 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.366 10.374 -9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.725 10.255 -7.975 1.00 0.00 H new ATOM 719 N ILE A 47 10.407 5.452 -5.327 1.00 0.00 N ATOM 720 CA ILE A 47 10.583 4.137 -4.752 1.00 0.00 C ATOM 721 C ILE A 47 10.911 3.111 -5.811 1.00 0.00 C ATOM 722 O ILE A 47 11.493 2.095 -5.499 1.00 0.00 O ATOM 723 CB ILE A 47 9.380 3.655 -3.940 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.185 3.350 -4.829 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.027 4.686 -2.898 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.054 2.692 -4.079 1.00 0.00 C ATOM 0 H ILE A 47 9.443 5.711 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 47 11.421 4.240 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 47 9.653 2.723 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.827 4.276 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.501 2.700 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.170 4.341 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.877 4.836 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.779 5.628 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.228 2.497 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.400 1.751 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.715 3.351 -3.280 1.00 0.00 H new ATOM 738 N GLN A 48 10.579 3.399 -7.066 1.00 0.00 N ATOM 739 CA GLN A 48 10.835 2.463 -8.166 1.00 0.00 C ATOM 740 C GLN A 48 12.324 2.110 -8.246 1.00 0.00 C ATOM 741 O GLN A 48 12.718 1.144 -8.900 1.00 0.00 O ATOM 742 CB GLN A 48 10.363 3.064 -9.499 1.00 0.00 C ATOM 743 CG GLN A 48 10.475 2.105 -10.681 1.00 0.00 C ATOM 744 CD GLN A 48 9.225 1.260 -10.899 1.00 0.00 C ATOM 745 OE1 GLN A 48 8.047 1.812 -10.615 1.00 0.00 O flip ATOM 746 NE2 GLN A 48 9.314 0.117 -11.343 1.00 0.00 N flip ATOM 0 H GLN A 48 10.133 4.271 -7.351 1.00 0.00 H new ATOM 0 HA GLN A 48 10.274 1.549 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.325 3.380 -9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.949 3.958 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.679 2.678 -11.586 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.328 1.444 -10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.231 -0.279 -11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.471 -0.435 -11.503 1.00 0.00 H new ATOM 755 N HIS A 49 13.144 2.881 -7.551 1.00 0.00 N ATOM 756 CA HIS A 49 14.574 2.626 -7.500 1.00 0.00 C ATOM 757 C HIS A 49 14.876 1.437 -6.601 1.00 0.00 C ATOM 758 O HIS A 49 15.694 0.585 -6.944 1.00 0.00 O ATOM 759 CB HIS A 49 15.335 3.864 -7.016 1.00 0.00 C ATOM 760 CG HIS A 49 15.627 4.845 -8.107 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.245 4.500 -9.290 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.356 6.164 -8.200 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.329 5.565 -10.065 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.798 6.587 -9.427 1.00 0.00 N ATOM 0 H HIS A 49 12.842 3.692 -7.012 1.00 0.00 H new ATOM 0 HA HIS A 49 14.908 2.392 -8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.753 4.359 -6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.273 3.549 -6.559 1.00 0.00 H new ATOM 0 HD2 HIS A 49 14.879 6.774 -7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.760 5.593 -11.055 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.727 7.539 -9.787 1.00 0.00 H new ATOM 773 N PHE A 50 14.197 1.356 -5.463 1.00 0.00 N ATOM 774 CA PHE A 50 14.447 0.274 -4.520 1.00 0.00 C ATOM 775 C PHE A 50 13.238 -0.655 -4.416 1.00 0.00 C ATOM 776 O PHE A 50 13.281 -1.685 -3.747 1.00 0.00 O ATOM 777 CB PHE A 50 14.857 0.833 -3.151 1.00 0.00 C ATOM 778 CG PHE A 50 13.868 1.769 -2.513 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.818 1.295 -1.743 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.014 3.134 -2.665 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.935 2.167 -1.147 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.125 4.010 -2.070 1.00 0.00 C ATOM 783 CZ PHE A 50 12.084 3.525 -1.311 1.00 0.00 C ATOM 0 H PHE A 50 13.477 2.018 -5.173 1.00 0.00 H new ATOM 0 HA PHE A 50 15.279 -0.323 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.029 -0.003 -2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.807 1.356 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.691 0.231 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.831 3.521 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.122 1.784 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.247 5.075 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.387 4.207 -0.846 1.00 0.00 H new ATOM 793 N VAL A 51 12.181 -0.291 -5.123 1.00 0.00 N ATOM 794 CA VAL A 51 10.938 -1.037 -5.136 1.00 0.00 C ATOM 795 C VAL A 51 10.633 -1.480 -6.556 1.00 0.00 C ATOM 796 O VAL A 51 10.578 -0.661 -7.471 1.00 0.00 O ATOM 797 CB VAL A 51 9.784 -0.179 -4.574 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.434 -0.826 -4.820 1.00 0.00 C ATOM 799 CG2 VAL A 51 9.985 0.046 -3.089 1.00 0.00 C ATOM 0 H VAL A 51 12.164 0.542 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 51 11.041 -1.917 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 51 9.795 0.778 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.647 -0.193 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.280 -0.949 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.404 -1.802 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.167 0.652 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.002 -0.915 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.930 0.563 -2.924 1.00 0.00 H new ATOM 809 N GLU A 52 10.479 -2.780 -6.741 1.00 0.00 N ATOM 810 CA GLU A 52 10.334 -3.350 -8.078 1.00 0.00 C ATOM 811 C GLU A 52 8.864 -3.363 -8.494 1.00 0.00 C ATOM 812 O GLU A 52 8.482 -2.776 -9.505 1.00 0.00 O ATOM 813 CB GLU A 52 10.886 -4.778 -8.126 1.00 0.00 C ATOM 814 CG GLU A 52 10.790 -5.410 -9.507 1.00 0.00 C ATOM 815 CD GLU A 52 11.301 -6.833 -9.546 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.523 -7.028 -9.719 1.00 0.00 O ATOM 817 OE2 GLU A 52 10.485 -7.764 -9.417 1.00 0.00 O ATOM 0 H GLU A 52 10.451 -3.464 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 52 10.902 -2.728 -8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.929 -4.769 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.341 -5.396 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.751 -5.395 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.357 -4.807 -10.216 1.00 0.00 H new ATOM 824 N LYS A 53 8.049 -4.041 -7.698 1.00 0.00 N ATOM 825 CA LYS A 53 6.637 -4.201 -7.984 1.00 0.00 C ATOM 826 C LYS A 53 5.827 -4.020 -6.706 1.00 0.00 C ATOM 827 O LYS A 53 6.390 -3.896 -5.625 1.00 0.00 O ATOM 828 CB LYS A 53 6.394 -5.588 -8.594 1.00 0.00 C ATOM 829 CG LYS A 53 6.919 -6.738 -7.739 1.00 0.00 C ATOM 830 CD LYS A 53 6.743 -8.095 -8.407 1.00 0.00 C ATOM 831 CE LYS A 53 5.285 -8.444 -8.631 1.00 0.00 C ATOM 832 NZ LYS A 53 5.140 -9.693 -9.425 1.00 0.00 N ATOM 0 H LYS A 53 8.352 -4.495 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 53 6.318 -3.444 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.324 -5.723 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.868 -5.631 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.976 -6.576 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.400 -6.739 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.265 -8.096 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.207 -8.864 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.786 -8.563 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.788 -7.623 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.130 -9.903 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.595 -9.570 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.593 -10.481 -8.919 1.00 0.00 H new ATOM 846 N VAL A 54 4.515 -3.999 -6.833 1.00 0.00 N ATOM 847 CA VAL A 54 3.632 -3.777 -5.699 1.00 0.00 C ATOM 848 C VAL A 54 2.390 -4.645 -5.827 1.00 0.00 C ATOM 849 O VAL A 54 1.985 -4.986 -6.939 1.00 0.00 O ATOM 850 CB VAL A 54 3.259 -2.282 -5.588 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.943 -2.054 -4.857 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.379 -1.545 -4.878 1.00 0.00 C ATOM 0 H VAL A 54 4.030 -4.134 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 54 4.153 -4.059 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 54 3.126 -1.898 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.733 -0.985 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.138 -2.559 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.014 -2.455 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.124 -0.488 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.516 -1.964 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.303 -1.652 -5.447 1.00 0.00 H new ATOM 862 N VAL A 55 1.806 -5.018 -4.700 1.00 0.00 N ATOM 863 CA VAL A 55 0.666 -5.914 -4.699 1.00 0.00 C ATOM 864 C VAL A 55 -0.315 -5.535 -3.594 1.00 0.00 C ATOM 865 O VAL A 55 0.077 -5.020 -2.546 1.00 0.00 O ATOM 866 CB VAL A 55 1.128 -7.385 -4.548 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.586 -8.033 -3.282 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.733 -8.192 -5.771 1.00 0.00 C ATOM 0 H VAL A 55 2.105 -4.713 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 55 0.152 -5.817 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 55 2.215 -7.375 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.937 -9.063 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.935 -7.478 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.504 -8.022 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.065 -9.223 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.351 -8.171 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.201 -7.763 -6.657 1.00 0.00 H new ATOM 878 N PHE A 56 -1.586 -5.781 -3.847 1.00 0.00 N ATOM 879 CA PHE A 56 -2.627 -5.541 -2.869 1.00 0.00 C ATOM 880 C PHE A 56 -3.440 -6.802 -2.691 1.00 0.00 C ATOM 881 O PHE A 56 -3.865 -7.393 -3.671 1.00 0.00 O ATOM 882 CB PHE A 56 -3.548 -4.398 -3.312 1.00 0.00 C ATOM 883 CG PHE A 56 -2.965 -3.031 -3.115 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.982 -2.550 -3.967 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.406 -2.224 -2.083 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.450 -1.292 -3.791 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.877 -0.963 -1.903 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.898 -0.498 -2.758 1.00 0.00 C ATOM 0 H PHE A 56 -1.925 -6.152 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.159 -5.257 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.791 -4.529 -4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.485 -4.465 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.629 -3.170 -4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.172 -2.584 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.684 -0.929 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.228 -0.340 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.483 0.489 -2.617 1.00 0.00 H new ATOM 898 N HIS A 57 -3.630 -7.234 -1.460 1.00 0.00 N ATOM 899 CA HIS A 57 -4.489 -8.378 -1.193 1.00 0.00 C ATOM 900 C HIS A 57 -5.794 -7.889 -0.604 1.00 0.00 C ATOM 901 O HIS A 57 -5.934 -7.801 0.616 1.00 0.00 O ATOM 902 CB HIS A 57 -3.836 -9.366 -0.222 1.00 0.00 C ATOM 903 CG HIS A 57 -2.540 -9.948 -0.700 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.423 -11.238 -1.166 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.290 -9.423 -0.741 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.162 -11.485 -1.463 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.454 -10.400 -1.215 1.00 0.00 N ATOM 0 H HIS A 57 -3.206 -6.816 -0.632 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.662 -8.899 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.663 -8.861 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.535 -10.180 -0.028 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.006 -8.421 -0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.774 -12.418 -1.845 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.552 -10.304 -1.353 1.00 0.00 H new ATOM 916 N LEU A 58 -6.737 -7.539 -1.467 1.00 0.00 N ATOM 917 CA LEU A 58 -8.041 -7.073 -1.006 1.00 0.00 C ATOM 918 C LEU A 58 -8.786 -8.213 -0.301 1.00 0.00 C ATOM 919 O LEU A 58 -8.273 -9.328 -0.178 1.00 0.00 O ATOM 920 CB LEU A 58 -8.909 -6.557 -2.164 1.00 0.00 C ATOM 921 CG LEU A 58 -8.217 -5.705 -3.218 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.177 -5.446 -4.343 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.726 -4.392 -2.640 1.00 0.00 C ATOM 0 H LEU A 58 -6.628 -7.567 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.863 -6.249 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.355 -7.417 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.727 -5.974 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.345 -6.247 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.690 -4.836 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.487 -6.394 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.052 -4.920 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.237 -3.810 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.572 -3.830 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.015 -4.591 -1.838 1.00 0.00 H new ATOM 935 N HIS A 59 -10.005 -7.938 0.134 1.00 0.00 N ATOM 936 CA HIS A 59 -10.817 -8.950 0.798 1.00 0.00 C ATOM 937 C HIS A 59 -11.342 -9.926 -0.245 1.00 0.00 C ATOM 938 O HIS A 59 -11.623 -9.545 -1.373 1.00 0.00 O ATOM 939 CB HIS A 59 -11.970 -8.279 1.559 1.00 0.00 C ATOM 940 CG HIS A 59 -12.693 -9.183 2.512 1.00 0.00 C ATOM 941 ND1 HIS A 59 -13.953 -9.674 2.484 1.00 0.00 N flip ATOM 942 CD2 HIS A 59 -12.123 -9.673 3.666 1.00 0.00 C flip ATOM 943 CE1 HIS A 59 -14.117 -10.440 3.607 1.00 0.00 C flip ATOM 944 NE2 HIS A 59 -12.999 -10.424 4.304 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.454 -7.027 0.041 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.214 -9.499 1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.576 -7.427 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.685 -7.886 0.837 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.115 -9.473 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.017 -10.971 3.878 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.839 -10.910 5.186 1.00 0.00 H new ATOM 953 N GLU A 60 -11.444 -11.189 0.148 1.00 0.00 N ATOM 954 CA GLU A 60 -11.803 -12.285 -0.759 1.00 0.00 C ATOM 955 C GLU A 60 -13.137 -12.063 -1.470 1.00 0.00 C ATOM 956 O GLU A 60 -13.381 -12.643 -2.527 1.00 0.00 O ATOM 957 CB GLU A 60 -11.848 -13.599 0.010 1.00 0.00 C ATOM 958 CG GLU A 60 -10.498 -14.018 0.563 1.00 0.00 C ATOM 959 CD GLU A 60 -10.548 -15.353 1.269 1.00 0.00 C ATOM 960 OE1 GLU A 60 -10.547 -16.396 0.577 1.00 0.00 O ATOM 961 OE2 GLU A 60 -10.576 -15.369 2.516 1.00 0.00 O ATOM 0 H GLU A 60 -11.280 -11.489 1.109 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.032 -12.320 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.557 -13.506 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.223 -14.384 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.776 -14.069 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.142 -13.257 1.257 1.00 0.00 H new ATOM 968 N SER A 61 -14.002 -11.249 -0.882 1.00 0.00 N ATOM 969 CA SER A 61 -15.248 -10.861 -1.531 1.00 0.00 C ATOM 970 C SER A 61 -14.971 -10.096 -2.825 1.00 0.00 C ATOM 971 O SER A 61 -15.776 -10.105 -3.755 1.00 0.00 O ATOM 972 CB SER A 61 -16.075 -10.004 -0.591 1.00 0.00 C ATOM 973 OG SER A 61 -16.198 -10.617 0.680 1.00 0.00 O ATOM 0 H SER A 61 -13.865 -10.844 0.044 1.00 0.00 H new ATOM 0 HA SER A 61 -15.804 -11.766 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.610 -9.024 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.065 -9.841 -1.018 1.00 0.00 H new ATOM 0 HG SER A 61 -15.471 -10.313 1.262 1.00 0.00 H new ATOM 979 N PHE A 62 -13.815 -9.451 -2.877 1.00 0.00 N ATOM 980 CA PHE A 62 -13.411 -8.681 -4.036 1.00 0.00 C ATOM 981 C PHE A 62 -12.825 -9.614 -5.088 1.00 0.00 C ATOM 982 O PHE A 62 -11.971 -10.448 -4.779 1.00 0.00 O ATOM 983 CB PHE A 62 -12.383 -7.617 -3.631 1.00 0.00 C ATOM 984 CG PHE A 62 -12.913 -6.582 -2.671 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.226 -6.916 -1.364 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.092 -5.273 -3.077 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.709 -5.966 -0.485 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.574 -4.316 -2.206 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.884 -4.663 -0.908 1.00 0.00 C ATOM 0 H PHE A 62 -13.135 -9.449 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.281 -8.176 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.524 -8.111 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.024 -7.114 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.091 -7.933 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.851 -4.994 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.949 -6.242 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.708 -3.298 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.263 -3.918 -0.224 1.00 0.00 H new ATOM 999 N PRO A 63 -13.299 -9.508 -6.336 1.00 0.00 N ATOM 1000 CA PRO A 63 -12.850 -10.370 -7.435 1.00 0.00 C ATOM 1001 C PRO A 63 -11.378 -10.149 -7.771 1.00 0.00 C ATOM 1002 O PRO A 63 -10.964 -9.013 -8.027 1.00 0.00 O ATOM 1003 CB PRO A 63 -13.736 -9.951 -8.615 1.00 0.00 C ATOM 1004 CG PRO A 63 -14.872 -9.204 -8.004 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.314 -8.546 -6.780 1.00 0.00 C ATOM 0 HA PRO A 63 -12.935 -11.427 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.186 -9.325 -9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.089 -10.820 -9.170 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.272 -8.465 -8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.690 -9.877 -7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.879 -7.572 -7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.080 -8.385 -6.021 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.606 -11.243 -7.769 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.158 -11.187 -7.974 1.00 0.00 C ATOM 1015 C ARG A 64 -8.550 -10.119 -7.078 1.00 0.00 C ATOM 1016 O ARG A 64 -8.073 -9.099 -7.560 1.00 0.00 O ATOM 1017 CB ARG A 64 -8.819 -10.897 -9.438 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.368 -11.926 -10.410 1.00 0.00 C ATOM 1019 CD ARG A 64 -8.935 -11.627 -11.830 1.00 0.00 C ATOM 1020 NE ARG A 64 -9.222 -10.247 -12.216 1.00 0.00 N ATOM 1021 CZ ARG A 64 -9.571 -9.872 -13.443 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -9.753 -10.778 -14.396 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -9.753 -8.588 -13.710 1.00 0.00 N ATOM 0 H ARG A 64 -10.968 -12.186 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.739 -12.159 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.210 -9.915 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.736 -10.849 -9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.023 -12.920 -10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.457 -11.938 -10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.866 -11.815 -11.929 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.443 -12.307 -12.514 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.150 -9.526 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.625 -11.769 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.021 -10.484 -15.335 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.625 -7.891 -12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.021 -8.295 -14.650 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.557 -10.338 -5.758 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.240 -9.289 -4.795 1.00 0.00 C ATOM 1039 C PRO A 65 -6.786 -8.847 -4.847 1.00 0.00 C ATOM 1040 O PRO A 65 -6.446 -7.758 -4.393 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.564 -9.922 -3.444 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.470 -11.389 -3.669 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.854 -11.624 -5.103 1.00 0.00 C ATOM 0 HA PRO A 65 -8.807 -8.381 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.861 -9.595 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.560 -9.639 -3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.459 -11.748 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.136 -11.929 -2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.280 -12.440 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.907 -11.888 -5.198 1.00 0.00 H new ATOM 1051 N LYS A 66 -5.936 -9.693 -5.392 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.537 -9.369 -5.541 1.00 0.00 C ATOM 1053 C LYS A 66 -4.321 -8.504 -6.769 1.00 0.00 C ATOM 1054 O LYS A 66 -4.339 -8.988 -7.901 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.684 -10.631 -5.626 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.200 -10.351 -5.826 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.378 -11.618 -5.685 1.00 0.00 C ATOM 1058 CE LYS A 66 0.017 -11.467 -6.262 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.816 -12.710 -6.102 1.00 0.00 N ATOM 0 H LYS A 66 -6.195 -10.616 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.227 -8.811 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.816 -11.211 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.043 -11.248 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.039 -9.918 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.865 -9.614 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.306 -11.886 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.890 -12.438 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.052 -11.213 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.527 -10.640 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.763 -12.569 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.903 -12.939 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.342 -13.493 -6.595 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.133 -7.222 -6.537 1.00 0.00 N ATOM 1074 CA ARG A 67 -3.904 -6.284 -7.617 1.00 0.00 C ATOM 1075 C ARG A 67 -2.444 -5.872 -7.624 1.00 0.00 C ATOM 1076 O ARG A 67 -1.945 -5.321 -6.642 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.798 -5.056 -7.452 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.243 -5.397 -7.119 1.00 0.00 C ATOM 1079 CD ARG A 67 -6.856 -6.324 -8.160 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.293 -6.506 -7.962 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.220 -5.584 -8.229 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -8.876 -4.411 -8.748 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.498 -5.851 -8.001 1.00 0.00 N ATOM 0 H ARG A 67 -4.134 -6.804 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.149 -6.762 -8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.391 -4.424 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.774 -4.472 -8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.289 -5.870 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.829 -4.480 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.677 -5.918 -9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.360 -7.294 -8.117 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.610 -7.403 -7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.896 -4.209 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.592 -3.713 -8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.770 -6.758 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.210 -5.149 -8.204 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.757 -6.157 -8.714 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.335 -5.891 -8.794 1.00 0.00 C ATOM 1099 C VAL A 68 -0.071 -4.606 -9.583 1.00 0.00 C ATOM 1100 O VAL A 68 -0.798 -4.272 -10.524 1.00 0.00 O ATOM 1101 CB VAL A 68 0.438 -7.083 -9.428 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.201 -8.419 -9.054 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.543 -6.940 -10.938 1.00 0.00 C ATOM 0 H VAL A 68 -2.160 -6.572 -9.554 1.00 0.00 H new ATOM 0 HA VAL A 68 0.031 -5.761 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 68 1.449 -7.066 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.362 -9.232 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.191 -8.536 -7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.230 -8.443 -9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.089 -7.790 -11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.457 -6.909 -11.371 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.072 -6.018 -11.180 1.00 0.00 H new ATOM 1113 N CYS A 69 0.938 -3.865 -9.163 1.00 0.00 N ATOM 1114 CA CYS A 69 1.380 -2.687 -9.889 1.00 0.00 C ATOM 1115 C CYS A 69 2.885 -2.771 -10.141 1.00 0.00 C ATOM 1116 O CYS A 69 3.678 -2.809 -9.203 1.00 0.00 O ATOM 1117 CB CYS A 69 1.018 -1.419 -9.108 1.00 0.00 C ATOM 1118 SG CYS A 69 -0.761 -1.167 -8.904 1.00 0.00 S ATOM 0 H CYS A 69 1.471 -4.060 -8.316 1.00 0.00 H new ATOM 0 HA CYS A 69 0.873 -2.643 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.484 -1.465 -8.124 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.441 -0.555 -9.621 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.403 -2.178 -9.408 1.00 0.00 H new ATOM 1124 N LYS A 70 3.273 -2.839 -11.410 1.00 0.00 N ATOM 1125 CA LYS A 70 4.683 -2.986 -11.787 1.00 0.00 C ATOM 1126 C LYS A 70 5.218 -1.666 -12.331 1.00 0.00 C ATOM 1127 O LYS A 70 6.359 -1.574 -12.787 1.00 0.00 O ATOM 1128 CB LYS A 70 4.831 -4.057 -12.875 1.00 0.00 C ATOM 1129 CG LYS A 70 4.101 -5.362 -12.595 1.00 0.00 C ATOM 1130 CD LYS A 70 3.917 -6.165 -13.875 1.00 0.00 C ATOM 1131 CE LYS A 70 3.271 -7.514 -13.608 1.00 0.00 C ATOM 1132 NZ LYS A 70 4.230 -8.479 -13.013 1.00 0.00 N ATOM 0 H LYS A 70 2.631 -2.795 -12.201 1.00 0.00 H new ATOM 0 HA LYS A 70 5.246 -3.279 -10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.466 -3.649 -13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.891 -4.273 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.663 -5.950 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.129 -5.151 -12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.301 -5.599 -14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.885 -6.314 -14.353 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.423 -7.384 -12.936 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.879 -7.920 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.751 -9.387 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.027 -8.623 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.585 -8.104 -12.110 1.00 0.00 H new ATOM 1146 N ASP A 71 4.378 -0.652 -12.278 1.00 0.00 N ATOM 1147 CA ASP A 71 4.649 0.621 -12.921 1.00 0.00 C ATOM 1148 C ASP A 71 4.685 1.748 -11.889 1.00 0.00 C ATOM 1149 O ASP A 71 4.652 1.472 -10.692 1.00 0.00 O ATOM 1150 CB ASP A 71 3.561 0.877 -13.974 1.00 0.00 C ATOM 1151 CG ASP A 71 3.913 0.284 -15.322 1.00 0.00 C ATOM 1152 OD1 ASP A 71 4.662 0.931 -16.086 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.447 -0.835 -15.625 1.00 0.00 O ATOM 0 H ASP A 71 3.485 -0.686 -11.787 1.00 0.00 H new ATOM 0 HA ASP A 71 5.625 0.591 -13.405 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.618 0.453 -13.629 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.408 1.951 -14.081 1.00 0.00 H new ATOM 1158 N PRO A 72 4.865 3.016 -12.332 1.00 0.00 N ATOM 1159 CA PRO A 72 4.557 4.225 -11.531 1.00 0.00 C ATOM 1160 C PRO A 72 3.255 4.113 -10.675 1.00 0.00 C ATOM 1161 O PRO A 72 2.652 3.044 -10.626 1.00 0.00 O ATOM 1162 CB PRO A 72 4.412 5.267 -12.635 1.00 0.00 C ATOM 1163 CG PRO A 72 5.423 4.886 -13.653 1.00 0.00 C ATOM 1164 CD PRO A 72 5.513 3.386 -13.616 1.00 0.00 C ATOM 0 HA PRO A 72 5.315 4.439 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.406 5.261 -13.055 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.593 6.273 -12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.128 5.234 -14.643 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.389 5.339 -13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.001 2.935 -14.466 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.549 3.048 -13.652 1.00 0.00 H new ATOM 1172 N PRO A 73 2.749 5.241 -10.070 1.00 0.00 N ATOM 1173 CA PRO A 73 1.782 5.241 -8.962 1.00 0.00 C ATOM 1174 C PRO A 73 0.989 3.950 -8.765 1.00 0.00 C ATOM 1175 O PRO A 73 0.126 3.583 -9.564 1.00 0.00 O ATOM 1176 CB PRO A 73 0.864 6.379 -9.376 1.00 0.00 C ATOM 1177 CG PRO A 73 1.773 7.378 -10.027 1.00 0.00 C ATOM 1178 CD PRO A 73 3.033 6.643 -10.425 1.00 0.00 C ATOM 0 HA PRO A 73 2.282 5.344 -7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.093 6.036 -10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.353 6.810 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.295 7.822 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.003 8.193 -9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.240 6.752 -11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.904 7.023 -9.890 1.00 0.00 H new ATOM 1186 N TYR A 74 1.293 3.303 -7.653 1.00 0.00 N ATOM 1187 CA TYR A 74 0.736 2.009 -7.300 1.00 0.00 C ATOM 1188 C TYR A 74 -0.582 2.214 -6.568 1.00 0.00 C ATOM 1189 O TYR A 74 -0.627 2.931 -5.565 1.00 0.00 O ATOM 1190 CB TYR A 74 1.723 1.279 -6.390 1.00 0.00 C ATOM 1191 CG TYR A 74 3.169 1.352 -6.849 1.00 0.00 C ATOM 1192 CD1 TYR A 74 3.928 2.489 -6.617 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.778 0.283 -7.493 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.242 2.561 -7.011 1.00 0.00 C ATOM 1195 CE2 TYR A 74 5.105 0.348 -7.885 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.828 1.491 -7.641 1.00 0.00 C ATOM 1197 OH TYR A 74 7.147 1.568 -8.017 1.00 0.00 O ATOM 0 H TYR A 74 1.945 3.668 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 74 0.560 1.418 -8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.651 1.698 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.429 0.232 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.478 3.334 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.208 -0.613 -7.691 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.814 3.458 -6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.568 -0.493 -8.379 1.00 0.00 H new ATOM 0 HH TYR A 74 7.205 1.649 -8.992 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.649 1.603 -7.060 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.971 1.862 -6.516 1.00 0.00 C ATOM 1209 C LYS A 75 -3.958 0.747 -6.813 1.00 0.00 C ATOM 1210 O LYS A 75 -3.752 -0.080 -7.701 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.515 3.171 -7.086 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.449 3.240 -8.601 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.470 4.218 -9.161 1.00 0.00 C ATOM 1214 CE LYS A 75 -4.112 5.649 -8.830 1.00 0.00 C ATOM 1215 NZ LYS A 75 -5.061 6.615 -9.438 1.00 0.00 N ATOM 0 H LYS A 75 -1.626 0.931 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.861 1.926 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.550 3.295 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.951 4.004 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.448 3.542 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.626 2.249 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.533 4.099 -10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.456 3.986 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.105 5.780 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.103 5.861 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.779 7.584 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.049 6.509 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.020 6.430 -9.082 1.00 0.00 H new ATOM 1229 N VAL A 76 -5.027 0.754 -6.038 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.179 -0.103 -6.251 1.00 0.00 C ATOM 1231 C VAL A 76 -7.452 0.725 -6.104 1.00 0.00 C ATOM 1232 O VAL A 76 -7.620 1.435 -5.110 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.223 -1.281 -5.258 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.600 -1.912 -5.258 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.177 -2.319 -5.609 1.00 0.00 C ATOM 0 H VAL A 76 -5.121 1.367 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.101 -0.520 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.007 -0.897 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.619 -2.743 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.341 -1.169 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.832 -2.279 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.226 -3.141 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.364 -2.699 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.187 -1.865 -5.572 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.326 0.654 -7.098 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.606 1.346 -7.040 1.00 0.00 C ATOM 1247 C GLU A 77 -10.719 0.322 -7.008 1.00 0.00 C ATOM 1248 O GLU A 77 -10.934 -0.403 -7.979 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.804 2.271 -8.245 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.598 3.116 -8.585 1.00 0.00 C ATOM 1251 CD GLU A 77 -7.743 2.485 -9.662 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -8.048 2.681 -10.859 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -6.772 1.781 -9.322 1.00 0.00 O ATOM 0 H GLU A 77 -8.172 0.123 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.622 1.959 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.066 1.666 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.650 2.929 -8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.928 4.101 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.997 3.266 -7.688 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.428 0.255 -5.903 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.443 -0.772 -5.747 1.00 0.00 C ATOM 1262 C GLU A 78 -13.733 -0.220 -5.183 1.00 0.00 C ATOM 1263 O GLU A 78 -13.832 0.964 -4.857 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.935 -1.912 -4.859 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.526 -3.149 -5.638 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.550 -3.528 -6.689 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.745 -3.620 -6.352 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -12.166 -3.732 -7.861 1.00 0.00 O ATOM 0 H GLU A 78 -11.326 0.887 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.652 -1.159 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.082 -1.558 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.714 -2.182 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.563 -2.972 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.390 -3.982 -4.948 1.00 0.00 H new ATOM 1275 N SER A 79 -14.716 -1.098 -5.085 1.00 0.00 N ATOM 1276 CA SER A 79 -16.033 -0.732 -4.610 1.00 0.00 C ATOM 1277 C SER A 79 -16.610 -1.872 -3.771 1.00 0.00 C ATOM 1278 O SER A 79 -16.424 -3.050 -4.090 1.00 0.00 O ATOM 1279 CB SER A 79 -16.938 -0.404 -5.802 1.00 0.00 C ATOM 1280 OG SER A 79 -18.142 0.223 -5.392 1.00 0.00 O ATOM 0 H SER A 79 -14.621 -2.083 -5.333 1.00 0.00 H new ATOM 0 HA SER A 79 -15.967 0.155 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.406 0.249 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.172 -1.320 -6.344 1.00 0.00 H new ATOM 0 HG SER A 79 -18.173 1.136 -5.747 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.299 -1.507 -2.703 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.808 -2.472 -1.751 1.00 0.00 C ATOM 1288 C GLY A 80 -18.771 -1.815 -0.786 1.00 0.00 C ATOM 1289 O GLY A 80 -19.428 -0.844 -1.146 1.00 0.00 O ATOM 0 H GLY A 80 -17.519 -0.538 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.311 -3.281 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.980 -2.918 -1.199 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.872 -2.320 0.436 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.776 -1.716 1.413 1.00 0.00 C ATOM 1295 C TYR A 81 -19.265 -1.869 2.845 1.00 0.00 C ATOM 1296 O TYR A 81 -20.034 -1.735 3.799 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.188 -2.310 1.280 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.234 -3.822 1.397 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.307 -4.446 2.637 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.202 -4.625 0.262 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.345 -5.822 2.741 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.239 -6.002 0.361 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.310 -6.595 1.602 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.342 -7.968 1.707 1.00 0.00 O ATOM 0 H TYR A 81 -18.352 -3.130 0.773 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.817 -0.648 1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.827 -1.877 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.605 -2.017 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.334 -3.845 3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.147 -4.164 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.402 -6.291 3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.212 -6.611 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.311 -8.365 0.812 1.00 0.00 H new ATOM 1314 N ALA A 82 -17.973 -2.131 2.995 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.377 -2.283 4.315 1.00 0.00 C ATOM 1316 C ALA A 82 -15.861 -2.147 4.239 1.00 0.00 C ATOM 1317 O ALA A 82 -15.275 -2.260 3.162 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.748 -3.631 4.910 1.00 0.00 C ATOM 0 H ALA A 82 -17.319 -2.242 2.220 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.766 -1.493 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.295 -3.730 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.832 -3.703 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.383 -4.428 4.262 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.236 -1.901 5.386 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.792 -1.793 5.443 1.00 0.00 C ATOM 1326 C GLY A 83 -13.142 -3.080 5.913 1.00 0.00 C ATOM 1327 O GLY A 83 -13.836 -4.072 6.159 1.00 0.00 O ATOM 0 H GLY A 83 -15.708 -1.774 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.409 -1.533 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.516 -0.981 6.116 1.00 0.00 H new ATOM 1331 N PHE A 84 -11.815 -3.065 6.040 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.045 -4.250 6.431 1.00 0.00 C ATOM 1333 C PHE A 84 -9.549 -3.938 6.416 1.00 0.00 C ATOM 1334 O PHE A 84 -9.116 -2.993 5.762 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.342 -5.435 5.486 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.114 -5.146 4.020 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.029 -4.396 3.297 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -9.991 -5.629 3.368 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.832 -4.128 1.960 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.786 -5.367 2.028 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.706 -4.613 1.321 1.00 0.00 C ATOM 0 H PHE A 84 -11.244 -2.236 5.876 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.343 -4.529 7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.718 -6.280 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.379 -5.742 5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.911 -4.015 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.268 -6.217 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.555 -3.541 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.907 -5.751 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.545 -4.404 0.274 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.768 -4.708 7.169 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.314 -4.639 7.073 1.00 0.00 C ATOM 1353 C ILE A 85 -6.876 -5.123 5.701 1.00 0.00 C ATOM 1354 O ILE A 85 -7.200 -6.245 5.301 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.617 -5.495 8.160 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.698 -4.810 9.524 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.161 -5.773 7.795 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -5.951 -3.496 9.592 1.00 0.00 C ATOM 0 H ILE A 85 -9.116 -5.384 7.849 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.022 -3.600 7.226 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.142 -6.448 8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.745 -4.635 9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.300 -5.484 10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.699 -6.376 8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.120 -6.313 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.624 -4.830 7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.054 -3.070 10.590 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.896 -3.666 9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.364 -2.804 8.858 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.157 -4.282 4.981 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.703 -4.637 3.655 1.00 0.00 C ATOM 1372 C LEU A 86 -4.191 -4.804 3.655 1.00 0.00 C ATOM 1373 O LEU A 86 -3.446 -3.833 3.806 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.142 -3.576 2.642 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.375 -4.102 1.224 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.422 -3.271 0.511 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.099 -4.079 0.425 1.00 0.00 C ATOM 0 H LEU A 86 -5.877 -3.352 5.293 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.153 -5.586 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.062 -3.112 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.384 -2.794 2.605 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.725 -5.131 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.573 -3.661 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.361 -3.317 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.087 -2.236 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.291 -4.458 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.728 -3.056 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.353 -4.707 0.913 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.723 -6.050 3.523 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.299 -6.360 3.482 1.00 0.00 C ATOM 1391 C PRO A 87 -1.669 -5.915 2.167 1.00 0.00 C ATOM 1392 O PRO A 87 -1.776 -6.602 1.145 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.240 -7.889 3.620 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.632 -8.325 3.942 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.542 -7.258 3.410 1.00 0.00 C ATOM 0 HA PRO A 87 -1.746 -5.843 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.890 -8.351 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.546 -8.184 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.853 -9.289 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.762 -8.446 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.835 -7.453 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.460 -7.181 3.993 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.039 -4.754 2.191 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.413 -4.202 1.010 1.00 0.00 C ATOM 1405 C ILE A 88 1.053 -4.587 0.970 1.00 0.00 C ATOM 1406 O ILE A 88 1.736 -4.559 1.988 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.537 -2.668 0.976 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.000 -2.264 1.181 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.014 -2.137 -0.348 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.182 -0.848 1.666 1.00 0.00 C ATOM 0 H ILE A 88 -0.949 -4.173 3.025 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.927 -4.611 0.140 1.00 0.00 H new ATOM 0 HB ILE A 88 0.059 -2.237 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.536 -2.387 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.457 -2.945 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.105 -1.051 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.033 -2.416 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.595 -2.563 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.245 -0.639 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.677 -0.724 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.756 -0.157 0.939 1.00 0.00 H new ATOM 1422 N GLU A 89 1.535 -4.943 -0.199 1.00 0.00 N ATOM 1423 CA GLU A 89 2.921 -5.336 -0.349 1.00 0.00 C ATOM 1424 C GLU A 89 3.650 -4.414 -1.301 1.00 0.00 C ATOM 1425 O GLU A 89 3.178 -4.125 -2.401 1.00 0.00 O ATOM 1426 CB GLU A 89 3.044 -6.769 -0.846 1.00 0.00 C ATOM 1427 CG GLU A 89 2.717 -7.812 0.203 1.00 0.00 C ATOM 1428 CD GLU A 89 3.006 -9.218 -0.286 1.00 0.00 C ATOM 1429 OE1 GLU A 89 4.194 -9.613 -0.321 1.00 0.00 O ATOM 1430 OE2 GLU A 89 2.053 -9.937 -0.645 1.00 0.00 O ATOM 0 H GLU A 89 0.990 -4.969 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 89 3.377 -5.266 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.380 -6.906 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.061 -6.933 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.298 -7.615 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.665 -7.733 0.478 1.00 0.00 H new ATOM 1437 N VAL A 90 4.803 -3.961 -0.863 1.00 0.00 N ATOM 1438 CA VAL A 90 5.672 -3.156 -1.691 1.00 0.00 C ATOM 1439 C VAL A 90 6.968 -3.929 -1.893 1.00 0.00 C ATOM 1440 O VAL A 90 7.778 -4.055 -0.972 1.00 0.00 O ATOM 1441 CB VAL A 90 5.944 -1.769 -1.059 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.463 -0.785 -2.096 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.677 -1.234 -0.420 1.00 0.00 C ATOM 0 H VAL A 90 5.164 -4.140 0.074 1.00 0.00 H new ATOM 0 HA VAL A 90 5.191 -2.965 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 90 6.711 -1.888 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.645 0.180 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.393 -1.162 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.723 -0.667 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.877 -0.258 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.900 -1.137 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.342 -1.922 0.356 1.00 0.00 H new ATOM 1453 N TYR A 91 7.127 -4.502 -3.078 1.00 0.00 N ATOM 1454 CA TYR A 91 8.256 -5.386 -3.359 1.00 0.00 C ATOM 1455 C TYR A 91 9.540 -4.602 -3.478 1.00 0.00 C ATOM 1456 O TYR A 91 9.598 -3.569 -4.137 1.00 0.00 O ATOM 1457 CB TYR A 91 8.042 -6.169 -4.648 1.00 0.00 C ATOM 1458 CG TYR A 91 7.320 -7.485 -4.477 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.107 -7.560 -3.812 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.856 -8.656 -4.999 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.449 -8.767 -3.669 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.204 -9.863 -4.860 1.00 0.00 C ATOM 1463 CZ TYR A 91 6.002 -9.913 -4.195 1.00 0.00 C ATOM 1464 OH TYR A 91 5.347 -11.115 -4.058 1.00 0.00 O ATOM 0 H TYR A 91 6.489 -4.372 -3.863 1.00 0.00 H new ATOM 0 HA TYR A 91 8.327 -6.082 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.477 -5.549 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.012 -6.360 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.669 -6.663 -3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.800 -8.620 -5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.505 -8.811 -3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.635 -10.764 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 91 5.871 -11.824 -4.486 1.00 0.00 H new ATOM 1474 N PHE A 92 10.574 -5.132 -2.882 1.00 0.00 N ATOM 1475 CA PHE A 92 11.848 -4.457 -2.825 1.00 0.00 C ATOM 1476 C PHE A 92 12.854 -5.157 -3.733 1.00 0.00 C ATOM 1477 O PHE A 92 12.725 -6.355 -3.996 1.00 0.00 O ATOM 1478 CB PHE A 92 12.365 -4.490 -1.391 1.00 0.00 C ATOM 1479 CG PHE A 92 11.589 -3.650 -0.423 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.004 -2.460 -0.818 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.482 -4.039 0.902 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.330 -1.674 0.087 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.799 -3.259 1.809 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.227 -2.076 1.398 1.00 0.00 C ATOM 0 H PHE A 92 10.560 -6.042 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 92 11.722 -3.426 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.358 -5.522 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.403 -4.159 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.078 -2.145 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.938 -4.962 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.883 -0.744 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.713 -3.574 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.695 -1.461 2.109 1.00 0.00 H new ATOM 1494 N LYS A 93 13.847 -4.425 -4.221 1.00 0.00 N ATOM 1495 CA LYS A 93 14.938 -5.048 -4.951 1.00 0.00 C ATOM 1496 C LYS A 93 16.078 -5.342 -3.988 1.00 0.00 C ATOM 1497 O LYS A 93 16.947 -4.496 -3.774 1.00 0.00 O ATOM 1498 CB LYS A 93 15.449 -4.130 -6.067 1.00 0.00 C ATOM 1499 CG LYS A 93 14.397 -3.732 -7.082 1.00 0.00 C ATOM 1500 CD LYS A 93 14.978 -2.816 -8.146 1.00 0.00 C ATOM 1501 CE LYS A 93 13.912 -2.484 -9.211 1.00 0.00 C ATOM 1502 NZ LYS A 93 12.898 -1.537 -8.694 1.00 0.00 N ATOM 0 H LYS A 93 13.918 -3.412 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 93 14.571 -5.970 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.862 -3.227 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.266 -4.630 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.986 -4.625 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.572 -3.229 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.340 -1.897 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.836 -3.295 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.396 -2.056 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.421 -3.402 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.034 -1.606 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.676 -1.771 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.271 -0.567 -8.745 1.00 0.00 H new ATOM 1516 N ASN A 94 16.089 -6.538 -3.418 1.00 0.00 N ATOM 1517 CA ASN A 94 17.105 -6.897 -2.440 1.00 0.00 C ATOM 1518 C ASN A 94 17.820 -8.164 -2.860 1.00 0.00 C ATOM 1519 O ASN A 94 17.219 -9.071 -3.433 1.00 0.00 O ATOM 1520 CB ASN A 94 16.505 -7.126 -1.043 1.00 0.00 C ATOM 1521 CG ASN A 94 15.797 -5.920 -0.456 1.00 0.00 C ATOM 1522 OD1 ASN A 94 15.260 -5.086 -1.170 1.00 0.00 O ATOM 1523 ND2 ASN A 94 15.776 -5.838 0.864 1.00 0.00 N ATOM 0 H ASN A 94 15.410 -7.273 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 94 17.802 -6.061 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.799 -7.955 -1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.302 -7.429 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.300 -5.059 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.236 -6.554 1.427 1.00 0.00 H new ATOM 1530 N LYS A 95 19.108 -8.214 -2.583 1.00 0.00 N ATOM 1531 CA LYS A 95 19.889 -9.430 -2.752 1.00 0.00 C ATOM 1532 C LYS A 95 20.181 -10.011 -1.372 1.00 0.00 C ATOM 1533 O LYS A 95 20.881 -11.010 -1.214 1.00 0.00 O ATOM 1534 CB LYS A 95 21.188 -9.103 -3.477 1.00 0.00 C ATOM 1535 CG LYS A 95 22.002 -10.323 -3.870 1.00 0.00 C ATOM 1536 CD LYS A 95 23.495 -10.044 -3.794 1.00 0.00 C ATOM 1537 CE LYS A 95 23.952 -9.753 -2.368 1.00 0.00 C ATOM 1538 NZ LYS A 95 23.679 -10.889 -1.448 1.00 0.00 N ATOM 0 H LYS A 95 19.644 -7.418 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 95 19.337 -10.159 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 95 20.956 -8.529 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.797 -8.463 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 95 21.752 -11.156 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 95 21.739 -10.627 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 95 24.044 -10.902 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 95 23.738 -9.195 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 95 25.020 -9.536 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.445 -8.860 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.259 -10.788 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 22.672 -10.890 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 23.915 -11.784 -1.922 1.00 0.00 H new ATOM 1552 N GLU A 96 19.629 -9.340 -0.382 1.00 0.00 N ATOM 1553 CA GLU A 96 19.812 -9.682 1.017 1.00 0.00 C ATOM 1554 C GLU A 96 18.449 -9.774 1.709 1.00 0.00 C ATOM 1555 O GLU A 96 17.482 -10.213 1.083 1.00 0.00 O ATOM 1556 CB GLU A 96 20.737 -8.665 1.704 1.00 0.00 C ATOM 1557 CG GLU A 96 20.309 -7.221 1.545 1.00 0.00 C ATOM 1558 CD GLU A 96 21.128 -6.301 2.419 1.00 0.00 C ATOM 1559 OE1 GLU A 96 20.808 -6.172 3.614 1.00 0.00 O ATOM 1560 OE2 GLU A 96 22.125 -5.740 1.926 1.00 0.00 O ATOM 0 H GLU A 96 19.030 -8.527 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 96 20.294 -10.657 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.789 -8.900 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.744 -8.779 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.414 -6.922 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.254 -7.123 1.800 1.00 0.00 H new ATOM 1567 N GLU A 97 18.421 -9.454 3.011 1.00 0.00 N ATOM 1568 CA GLU A 97 17.208 -9.498 3.857 1.00 0.00 C ATOM 1569 C GLU A 97 15.903 -9.090 3.132 1.00 0.00 C ATOM 1570 O GLU A 97 15.954 -8.459 2.077 1.00 0.00 O ATOM 1571 CB GLU A 97 17.414 -8.616 5.089 1.00 0.00 C ATOM 1572 CG GLU A 97 17.882 -7.206 4.781 1.00 0.00 C ATOM 1573 CD GLU A 97 18.023 -6.378 6.037 1.00 0.00 C ATOM 1574 OE1 GLU A 97 17.009 -5.806 6.489 1.00 0.00 O ATOM 1575 OE2 GLU A 97 19.136 -6.324 6.602 1.00 0.00 O ATOM 0 H GLU A 97 19.252 -9.152 3.519 1.00 0.00 H new ATOM 0 HA GLU A 97 17.074 -10.542 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.476 -8.562 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 97 18.143 -9.093 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 97 18.839 -7.246 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.173 -6.726 4.106 1.00 0.00 H new ATOM 1582 N PRO A 98 14.721 -9.366 3.756 1.00 0.00 N ATOM 1583 CA PRO A 98 13.408 -9.442 3.092 1.00 0.00 C ATOM 1584 C PRO A 98 13.237 -8.527 1.882 1.00 0.00 C ATOM 1585 O PRO A 98 13.406 -7.309 1.959 1.00 0.00 O ATOM 1586 CB PRO A 98 12.415 -9.053 4.207 1.00 0.00 C ATOM 1587 CG PRO A 98 13.250 -8.806 5.417 1.00 0.00 C ATOM 1588 CD PRO A 98 14.527 -9.559 5.191 1.00 0.00 C ATOM 0 HA PRO A 98 13.259 -10.437 2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.847 -8.163 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.693 -9.850 4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.442 -7.741 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.745 -9.153 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.353 -9.154 5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.436 -10.612 5.456 1.00 0.00 H new ATOM 1596 N ARG A 99 12.866 -9.145 0.769 1.00 0.00 N ATOM 1597 CA ARG A 99 12.717 -8.452 -0.500 1.00 0.00 C ATOM 1598 C ARG A 99 11.290 -7.952 -0.671 1.00 0.00 C ATOM 1599 O ARG A 99 10.824 -7.703 -1.785 1.00 0.00 O ATOM 1600 CB ARG A 99 13.116 -9.387 -1.635 1.00 0.00 C ATOM 1601 CG ARG A 99 14.576 -9.770 -1.548 1.00 0.00 C ATOM 1602 CD ARG A 99 14.889 -11.040 -2.300 1.00 0.00 C ATOM 1603 NE ARG A 99 14.085 -12.175 -1.845 1.00 0.00 N ATOM 1604 CZ ARG A 99 14.012 -13.340 -2.489 1.00 0.00 C ATOM 1605 NH1 ARG A 99 14.682 -13.521 -3.618 1.00 0.00 N ATOM 1606 NH2 ARG A 99 13.270 -14.327 -2.003 1.00 0.00 N ATOM 0 H ARG A 99 12.660 -10.143 0.722 1.00 0.00 H new ATOM 0 HA ARG A 99 13.372 -7.581 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.500 -10.286 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.922 -8.903 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.185 -8.958 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.853 -9.894 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.716 -10.880 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.946 -11.277 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 99 13.549 -12.068 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.256 -12.768 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.624 -14.414 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.753 -14.196 -1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.217 -15.217 -2.499 1.00 0.00 H new ATOM 1620 N LYS A 100 10.593 -7.843 0.446 1.00 0.00 N ATOM 1621 CA LYS A 100 9.234 -7.323 0.458 1.00 0.00 C ATOM 1622 C LYS A 100 8.920 -6.674 1.789 1.00 0.00 C ATOM 1623 O LYS A 100 9.537 -6.987 2.809 1.00 0.00 O ATOM 1624 CB LYS A 100 8.209 -8.433 0.213 1.00 0.00 C ATOM 1625 CG LYS A 100 8.262 -9.533 1.266 1.00 0.00 C ATOM 1626 CD LYS A 100 6.991 -10.377 1.315 1.00 0.00 C ATOM 1627 CE LYS A 100 6.899 -11.380 0.171 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.539 -10.735 -1.115 1.00 0.00 N ATOM 0 H LYS A 100 10.948 -8.110 1.364 1.00 0.00 H new ATOM 0 HA LYS A 100 9.170 -6.586 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.209 -8.000 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.382 -8.870 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.114 -10.182 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.430 -9.083 2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.953 -10.912 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.123 -9.719 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.855 -11.893 0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.156 -12.139 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.130 -11.444 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.843 -9.981 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.391 -10.327 -1.549 1.00 0.00 H new ATOM 1642 N VAL A 101 7.973 -5.762 1.766 1.00 0.00 N ATOM 1643 CA VAL A 101 7.392 -5.238 2.980 1.00 0.00 C ATOM 1644 C VAL A 101 5.876 -5.353 2.887 1.00 0.00 C ATOM 1645 O VAL A 101 5.300 -5.152 1.815 1.00 0.00 O ATOM 1646 CB VAL A 101 7.808 -3.773 3.221 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.216 -2.847 2.169 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.429 -3.331 4.623 1.00 0.00 C ATOM 0 H VAL A 101 7.586 -5.365 0.910 1.00 0.00 H new ATOM 0 HA VAL A 101 7.759 -5.819 3.826 1.00 0.00 H new ATOM 0 HB VAL A 101 8.893 -3.713 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.529 -1.822 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.566 -3.147 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.128 -2.907 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.732 -2.294 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.350 -3.416 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.933 -3.965 5.353 1.00 0.00 H new ATOM 1658 N ARG A 102 5.234 -5.706 3.987 1.00 0.00 N ATOM 1659 CA ARG A 102 3.795 -5.869 3.983 1.00 0.00 C ATOM 1660 C ARG A 102 3.166 -4.882 4.946 1.00 0.00 C ATOM 1661 O ARG A 102 3.263 -5.034 6.164 1.00 0.00 O ATOM 1662 CB ARG A 102 3.400 -7.293 4.366 1.00 0.00 C ATOM 1663 CG ARG A 102 1.994 -7.672 3.893 1.00 0.00 C ATOM 1664 CD ARG A 102 1.450 -8.882 4.621 1.00 0.00 C ATOM 1665 NE ARG A 102 1.180 -8.610 6.032 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.606 -9.376 7.035 1.00 0.00 C ATOM 1667 NH1 ARG A 102 2.357 -10.444 6.795 1.00 0.00 N ATOM 1668 NH2 ARG A 102 1.297 -9.061 8.282 1.00 0.00 N ATOM 0 H ARG A 102 5.683 -5.883 4.885 1.00 0.00 H new ATOM 0 HA ARG A 102 3.432 -5.677 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.121 -7.991 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.454 -7.400 5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.322 -6.827 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.015 -7.874 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.532 -9.212 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.164 -9.701 4.542 1.00 0.00 H new ATOM 0 HE ARG A 102 0.631 -7.782 6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.612 -10.683 5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.679 -11.025 7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.733 -8.233 8.474 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.622 -9.646 9.051 1.00 0.00 H new ATOM 1682 N PHE A 103 2.532 -3.869 4.395 1.00 0.00 N ATOM 1683 CA PHE A 103 1.892 -2.852 5.195 1.00 0.00 C ATOM 1684 C PHE A 103 0.429 -3.200 5.385 1.00 0.00 C ATOM 1685 O PHE A 103 -0.382 -3.024 4.474 1.00 0.00 O ATOM 1686 CB PHE A 103 2.042 -1.479 4.532 1.00 0.00 C ATOM 1687 CG PHE A 103 3.463 -1.016 4.425 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.335 -1.151 5.492 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.921 -0.422 3.262 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.635 -0.701 5.402 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.221 0.025 3.164 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.081 -0.112 4.235 1.00 0.00 C ATOM 0 H PHE A 103 2.447 -3.729 3.388 1.00 0.00 H new ATOM 0 HA PHE A 103 2.373 -2.809 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.605 -1.517 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.472 -0.745 5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.993 -1.614 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.252 -0.307 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.304 -0.809 6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.567 0.483 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.099 0.240 4.161 1.00 0.00 H new ATOM 1702 N ASP A 104 0.100 -3.736 6.556 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.282 -4.057 6.878 1.00 0.00 C ATOM 1704 C ASP A 104 -2.035 -2.772 7.134 1.00 0.00 C ATOM 1705 O ASP A 104 -2.173 -2.329 8.277 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.380 -4.982 8.097 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.686 -6.314 7.886 1.00 0.00 C ATOM 1708 OD1 ASP A 104 -1.018 -7.020 6.914 1.00 0.00 O ATOM 1709 OD2 ASP A 104 0.186 -6.669 8.706 1.00 0.00 O ATOM 0 H ASP A 104 0.770 -3.956 7.293 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.722 -4.588 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.942 -4.483 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.430 -5.158 8.329 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.515 -2.170 6.063 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.138 -0.875 6.155 1.00 0.00 C ATOM 1716 C TYR A 105 -4.627 -1.019 6.420 1.00 0.00 C ATOM 1717 O TYR A 105 -5.336 -1.738 5.716 1.00 0.00 O ATOM 1718 CB TYR A 105 -2.885 -0.055 4.889 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.542 1.297 4.939 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.148 2.249 5.869 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.576 1.609 4.077 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.775 3.476 5.937 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.201 2.832 4.132 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.798 3.762 5.065 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.442 4.973 5.147 1.00 0.00 O ATOM 0 H TYR A 105 -2.483 -2.561 5.122 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.692 -0.340 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.811 0.071 4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.256 -0.604 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.339 2.026 6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.898 0.880 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.464 4.206 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.004 3.063 3.447 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.282 4.931 4.644 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.077 -0.347 7.461 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.474 -0.375 7.851 1.00 0.00 C ATOM 1737 C ASP A 106 -7.320 0.415 6.862 1.00 0.00 C ATOM 1738 O ASP A 106 -7.190 1.634 6.757 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.625 0.206 9.258 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.038 0.106 9.790 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.888 0.945 9.421 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -8.305 -0.806 10.595 1.00 0.00 O ATOM 0 H ASP A 106 -4.488 0.232 8.059 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.821 -1.408 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.950 -0.317 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.320 1.252 9.248 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.162 -0.282 6.116 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.056 0.363 5.172 1.00 0.00 C ATOM 1749 C LEU A 107 -10.396 0.668 5.840 1.00 0.00 C ATOM 1750 O LEU A 107 -11.173 -0.246 6.112 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.299 -0.547 3.966 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.779 -0.043 2.617 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.263 -0.118 2.538 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.412 -0.845 1.500 1.00 0.00 C ATOM 0 H LEU A 107 -8.244 -1.298 6.147 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.592 1.292 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.839 -1.514 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.372 -0.717 3.877 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.056 1.006 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.931 0.248 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.827 0.496 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.943 -1.152 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.042 -0.486 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.155 -1.898 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.495 -0.729 1.538 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.670 1.935 6.119 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.978 2.305 6.650 1.00 0.00 C ATOM 1768 C PHE A 108 -12.703 3.208 5.662 1.00 0.00 C ATOM 1769 O PHE A 108 -12.074 3.935 4.893 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.882 2.979 8.035 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.396 4.405 8.027 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -12.294 5.455 7.899 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -10.050 4.698 8.161 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -11.857 6.765 7.900 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -9.608 6.008 8.166 1.00 0.00 C ATOM 1776 CZ PHE A 108 -10.512 7.042 8.034 1.00 0.00 C ATOM 0 H PHE A 108 -10.020 2.711 5.991 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.549 1.386 6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.866 2.951 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.214 2.389 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.348 5.245 7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.336 3.894 8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -12.567 7.572 7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.555 6.222 8.273 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.168 8.066 8.036 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.018 3.141 5.667 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.826 3.958 4.782 1.00 0.00 C ATOM 1788 C LEU A 109 -15.713 4.865 5.624 1.00 0.00 C ATOM 1789 O LEU A 109 -16.030 4.530 6.762 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.669 3.063 3.864 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.877 1.989 3.102 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.784 1.184 2.190 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.759 2.624 2.296 1.00 0.00 C ATOM 0 H LEU A 109 -14.554 2.525 6.278 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.184 4.573 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.435 2.572 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.186 3.694 3.141 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.442 1.311 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.196 0.432 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.554 0.692 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.254 1.849 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.209 1.848 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.182 3.327 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.082 3.153 2.967 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.094 6.016 5.086 1.00 0.00 N ATOM 1806 CA HIS A 110 -16.892 6.971 5.853 1.00 0.00 C ATOM 1807 C HIS A 110 -18.378 6.699 5.694 1.00 0.00 C ATOM 1808 O HIS A 110 -18.819 6.167 4.673 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.587 8.422 5.450 1.00 0.00 C ATOM 1810 CG HIS A 110 -16.991 8.786 4.050 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -18.284 9.095 3.691 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -16.256 8.909 2.923 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -18.323 9.390 2.408 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -17.105 9.288 1.915 1.00 0.00 N ATOM 0 H HIS A 110 -15.869 6.311 4.136 1.00 0.00 H new ATOM 0 HA HIS A 110 -16.617 6.839 6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.094 9.091 6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -15.517 8.598 5.562 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -19.087 9.095 4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.193 8.740 2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -19.206 9.669 1.852 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.138 7.078 6.710 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.592 6.957 6.691 1.00 0.00 C ATOM 1825 C LEU A 111 -21.201 7.728 5.520 1.00 0.00 C ATOM 1826 O LEU A 111 -20.662 8.751 5.076 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.180 7.476 8.009 1.00 0.00 C ATOM 1828 CG LEU A 111 -21.619 6.408 9.022 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -22.948 5.786 8.619 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -20.558 5.330 9.150 1.00 0.00 C ATOM 0 H LEU A 111 -18.767 7.478 7.572 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.837 5.902 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.439 8.117 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.041 8.103 7.777 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.747 6.895 9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.235 5.033 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.714 6.561 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -22.849 5.318 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -20.885 4.581 9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.402 4.856 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -19.624 5.777 9.490 1.00 0.00 H new ATOM 1910 N VAL A 117 -13.129 10.575 2.849 1.00 0.00 N ATOM 1911 CA VAL A 117 -12.035 9.860 3.474 1.00 0.00 C ATOM 1912 C VAL A 117 -10.745 10.077 2.708 1.00 0.00 C ATOM 1913 O VAL A 117 -10.678 9.811 1.510 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.335 8.345 3.558 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -11.060 7.533 3.695 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.265 8.047 4.716 1.00 0.00 C ATOM 0 HA VAL A 117 -11.923 10.253 4.485 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.823 8.057 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.308 6.473 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.421 7.711 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.534 7.831 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.463 6.976 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.799 8.366 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.203 8.584 4.577 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.747 10.595 3.395 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.418 10.738 2.832 1.00 0.00 C ATOM 1928 C ASN A 118 -7.383 10.538 3.934 1.00 0.00 C ATOM 1929 O ASN A 118 -7.089 11.469 4.683 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.267 12.123 2.210 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.017 12.250 1.349 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.100 12.249 0.124 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.848 12.331 1.972 1.00 0.00 N ATOM 0 H ASN A 118 -9.833 10.928 4.355 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.265 9.989 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.145 12.341 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.234 12.871 3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.985 12.395 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.812 12.329 2.991 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.834 9.337 4.039 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.914 9.025 5.128 1.00 0.00 C ATOM 1942 C HIS A 119 -4.546 8.635 4.596 1.00 0.00 C ATOM 1943 O HIS A 119 -4.441 7.994 3.551 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.462 7.892 5.989 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.674 7.665 7.245 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.852 6.575 7.423 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -5.569 8.401 8.375 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.275 6.649 8.607 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.692 7.748 9.206 1.00 0.00 N ATOM 0 H HIS A 119 -7.006 8.568 3.392 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.812 9.924 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.496 8.113 6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.472 6.973 5.404 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.711 5.826 6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.080 9.329 8.585 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.579 5.932 9.017 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.511 9.011 5.338 1.00 0.00 N ATOM 1959 CA LEU A 120 -2.138 8.726 4.962 1.00 0.00 C ATOM 1960 C LEU A 120 -1.272 8.429 6.178 1.00 0.00 C ATOM 1961 O LEU A 120 -1.550 8.895 7.286 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.572 9.908 4.188 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.870 9.876 2.701 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.803 11.265 2.110 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.874 8.969 2.011 1.00 0.00 C ATOM 0 H LEU A 120 -3.603 9.522 6.216 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.132 7.836 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.974 10.830 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.492 9.938 4.330 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.879 9.493 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.020 11.217 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.536 11.905 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.805 11.676 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.085 8.943 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.135 9.347 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.954 7.962 2.421 1.00 0.00 H new ATOM 1977 N ARG A 121 -0.240 7.626 5.964 1.00 0.00 N ATOM 1978 CA ARG A 121 0.729 7.310 7.000 1.00 0.00 C ATOM 1979 C ARG A 121 2.058 6.874 6.387 1.00 0.00 C ATOM 1980 O ARG A 121 2.092 6.064 5.459 1.00 0.00 O ATOM 1981 CB ARG A 121 0.175 6.239 7.953 1.00 0.00 C ATOM 1982 CG ARG A 121 -0.402 5.003 7.271 1.00 0.00 C ATOM 1983 CD ARG A 121 0.617 3.878 7.142 1.00 0.00 C ATOM 1984 NE ARG A 121 1.162 3.473 8.437 1.00 0.00 N ATOM 1985 CZ ARG A 121 1.199 2.209 8.866 1.00 0.00 C ATOM 1986 NH1 ARG A 121 0.732 1.227 8.101 1.00 0.00 N ATOM 1987 NH2 ARG A 121 1.707 1.926 10.059 1.00 0.00 N ATOM 0 H ARG A 121 -0.052 7.176 5.068 1.00 0.00 H new ATOM 0 HA ARG A 121 0.914 8.212 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.973 5.925 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.602 6.691 8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.262 4.647 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.765 5.275 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.148 3.019 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.431 4.200 6.492 1.00 0.00 H new ATOM 0 HE ARG A 121 1.536 4.199 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.343 1.437 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.763 0.263 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.070 2.674 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.735 0.960 10.385 1.00 0.00 H new ATOM 2001 N CYS A 122 3.144 7.431 6.903 1.00 0.00 N ATOM 2002 CA CYS A 122 4.480 7.140 6.395 1.00 0.00 C ATOM 2003 C CYS A 122 5.140 6.012 7.188 1.00 0.00 C ATOM 2004 O CYS A 122 5.070 5.982 8.420 1.00 0.00 O ATOM 2005 CB CYS A 122 5.339 8.408 6.443 1.00 0.00 C ATOM 2006 SG CYS A 122 5.446 9.173 8.078 1.00 0.00 S ATOM 0 H CYS A 122 3.127 8.092 7.679 1.00 0.00 H new ATOM 0 HA CYS A 122 4.392 6.807 5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.345 8.164 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 122 4.932 9.135 5.740 1.00 0.00 H new ATOM 0 HG CYS A 122 5.365 8.254 8.993 1.00 0.00 H new ATOM 2012 N GLU A 123 5.746 5.074 6.471 1.00 0.00 N ATOM 2013 CA GLU A 123 6.464 3.964 7.078 1.00 0.00 C ATOM 2014 C GLU A 123 7.954 4.083 6.803 1.00 0.00 C ATOM 2015 O GLU A 123 8.359 4.537 5.734 1.00 0.00 O ATOM 2016 CB GLU A 123 5.932 2.651 6.515 1.00 0.00 C ATOM 2017 CG GLU A 123 4.513 2.363 6.952 1.00 0.00 C ATOM 2018 CD GLU A 123 4.464 1.650 8.289 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.712 2.304 9.326 1.00 0.00 O ATOM 2020 OE2 GLU A 123 4.196 0.435 8.314 1.00 0.00 O ATOM 0 H GLU A 123 5.753 5.063 5.451 1.00 0.00 H new ATOM 0 HA GLU A 123 6.310 3.986 8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.973 2.684 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.579 1.834 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.958 3.298 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.018 1.752 6.197 1.00 0.00 H new ATOM 2027 N LYS A 124 8.766 3.670 7.760 1.00 0.00 N ATOM 2028 CA LYS A 124 10.205 3.771 7.625 1.00 0.00 C ATOM 2029 C LYS A 124 10.843 2.397 7.670 1.00 0.00 C ATOM 2030 O LYS A 124 10.559 1.595 8.560 1.00 0.00 O ATOM 2031 CB LYS A 124 10.788 4.624 8.740 1.00 0.00 C ATOM 2032 CG LYS A 124 12.258 4.960 8.529 1.00 0.00 C ATOM 2033 CD LYS A 124 12.886 5.574 9.746 1.00 0.00 C ATOM 2034 CE LYS A 124 12.040 6.719 10.230 1.00 0.00 C ATOM 2035 NZ LYS A 124 12.815 7.673 11.063 1.00 0.00 N ATOM 0 H LYS A 124 8.451 3.261 8.640 1.00 0.00 H new ATOM 0 HA LYS A 124 10.417 4.237 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.217 5.550 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.674 4.099 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.800 4.053 8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.354 5.647 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.986 4.826 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.891 5.926 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.619 7.245 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.202 6.331 10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.193 8.446 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.196 7.178 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.600 8.064 10.504 1.00 0.00 H new ATOM 2049 N LEU A 125 11.697 2.127 6.707 1.00 0.00 N ATOM 2050 CA LEU A 125 12.426 0.879 6.666 1.00 0.00 C ATOM 2051 C LEU A 125 13.922 1.161 6.769 1.00 0.00 C ATOM 2052 O LEU A 125 14.548 1.562 5.790 1.00 0.00 O ATOM 2053 CB LEU A 125 12.101 0.167 5.355 1.00 0.00 C ATOM 2054 CG LEU A 125 10.610 0.125 5.011 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.389 0.240 3.511 1.00 0.00 C ATOM 2056 CD2 LEU A 125 9.985 -1.155 5.544 1.00 0.00 C ATOM 0 H LEU A 125 11.904 2.761 5.936 1.00 0.00 H new ATOM 0 HA LEU A 125 12.137 0.242 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.635 0.663 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.478 -0.854 5.407 1.00 0.00 H new ATOM 0 HG LEU A 125 10.127 0.979 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.321 0.207 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.802 1.183 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.886 -0.588 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.924 -1.174 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.479 -2.016 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.103 -1.194 6.627 1.00 0.00 H new ATOM 2068 N THR A 126 14.484 0.992 7.960 1.00 0.00 N ATOM 2069 CA THR A 126 15.901 1.250 8.175 1.00 0.00 C ATOM 2070 C THR A 126 16.705 -0.022 7.965 1.00 0.00 C ATOM 2071 O THR A 126 16.442 -1.046 8.598 1.00 0.00 O ATOM 2072 CB THR A 126 16.181 1.778 9.596 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.051 2.527 10.073 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.407 2.674 9.605 1.00 0.00 C ATOM 0 H THR A 126 13.981 0.678 8.790 1.00 0.00 H new ATOM 0 HA THR A 126 16.198 2.012 7.454 1.00 0.00 H new ATOM 0 HB THR A 126 16.360 0.922 10.246 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.236 2.858 10.977 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.586 3.035 10.618 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.274 2.108 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.242 3.522 8.941 1.00 0.00 H new ATOM 2082 N PHE A 127 17.669 0.042 7.067 1.00 0.00 N ATOM 2083 CA PHE A 127 18.526 -1.096 6.789 1.00 0.00 C ATOM 2084 C PHE A 127 19.947 -0.791 7.233 1.00 0.00 C ATOM 2085 O PHE A 127 20.675 -0.051 6.564 1.00 0.00 O ATOM 2086 CB PHE A 127 18.482 -1.429 5.296 1.00 0.00 C ATOM 2087 CG PHE A 127 17.084 -1.666 4.799 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.506 -2.926 4.850 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.340 -0.611 4.304 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.210 -3.118 4.413 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.050 -0.799 3.863 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.481 -2.054 3.920 1.00 0.00 C ATOM 0 H PHE A 127 17.879 0.873 6.515 1.00 0.00 H new ATOM 0 HA PHE A 127 18.169 -1.963 7.345 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.931 -0.612 4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.086 -2.316 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.073 -3.762 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.778 0.375 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.766 -4.102 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.484 0.034 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.467 -2.204 3.580 1.00 0.00 H new ATOM 2102 N ASN A 128 20.323 -1.333 8.383 1.00 0.00 N ATOM 2103 CA ASN A 128 21.654 -1.121 8.924 1.00 0.00 C ATOM 2104 C ASN A 128 22.682 -1.903 8.110 1.00 0.00 C ATOM 2105 O ASN A 128 22.602 -3.128 7.995 1.00 0.00 O ATOM 2106 CB ASN A 128 21.723 -1.510 10.415 1.00 0.00 C ATOM 2107 CG ASN A 128 21.655 -3.008 10.668 1.00 0.00 C ATOM 2108 OD1 ASN A 128 22.681 -3.685 10.721 1.00 0.00 O ATOM 2109 ND2 ASN A 128 20.449 -3.532 10.829 1.00 0.00 N ATOM 0 H ASN A 128 19.722 -1.923 8.959 1.00 0.00 H new ATOM 0 HA ASN A 128 21.886 -0.058 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 128 22.650 -1.122 10.838 1.00 0.00 H new ATOM 0 HB3 ASN A 128 20.903 -1.025 10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 128 20.347 -4.532 11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.623 -2.936 10.778 1.00 0.00 H new ATOM 2116 N ASN A 129 23.610 -1.171 7.503 1.00 0.00 N ATOM 2117 CA ASN A 129 24.746 -1.764 6.793 1.00 0.00 C ATOM 2118 C ASN A 129 24.297 -2.732 5.694 1.00 0.00 C ATOM 2119 O ASN A 129 24.473 -3.945 5.814 1.00 0.00 O ATOM 2120 CB ASN A 129 25.672 -2.483 7.782 1.00 0.00 C ATOM 2121 CG ASN A 129 26.145 -1.574 8.900 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.156 -0.886 8.768 1.00 0.00 O ATOM 2123 ND2 ASN A 129 25.425 -1.576 10.014 1.00 0.00 N ATOM 0 H ASN A 129 23.599 -0.151 7.487 1.00 0.00 H new ATOM 0 HA ASN A 129 25.289 -0.951 6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.148 -3.338 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.537 -2.875 7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 129 25.704 -0.992 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 129 24.593 -2.162 10.082 1.00 0.00 H new ATOM 2130 N PRO A 130 23.708 -2.211 4.606 1.00 0.00 N ATOM 2131 CA PRO A 130 23.290 -3.026 3.473 1.00 0.00 C ATOM 2132 C PRO A 130 24.414 -3.197 2.450 1.00 0.00 C ATOM 2133 O PRO A 130 25.393 -2.447 2.462 1.00 0.00 O ATOM 2134 CB PRO A 130 22.138 -2.212 2.887 1.00 0.00 C ATOM 2135 CG PRO A 130 22.458 -0.785 3.208 1.00 0.00 C ATOM 2136 CD PRO A 130 23.400 -0.788 4.390 1.00 0.00 C ATOM 0 HA PRO A 130 23.013 -4.041 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.057 -2.364 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.185 -2.509 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.919 -0.293 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.549 -0.231 3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.302 -0.213 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.935 -0.344 5.270 1.00 0.00 H new ATOM 2144 N THR A 131 24.275 -4.191 1.582 1.00 0.00 N ATOM 2145 CA THR A 131 25.256 -4.434 0.530 1.00 0.00 C ATOM 2146 C THR A 131 25.233 -3.282 -0.485 1.00 0.00 C ATOM 2147 O THR A 131 24.229 -2.567 -0.573 1.00 0.00 O ATOM 2148 CB THR A 131 25.006 -5.792 -0.184 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.007 -6.032 -1.180 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.623 -5.839 -0.828 1.00 0.00 C ATOM 0 H THR A 131 23.491 -4.844 1.585 1.00 0.00 H new ATOM 0 HA THR A 131 26.241 -4.484 0.994 1.00 0.00 H new ATOM 0 HB THR A 131 25.060 -6.572 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 131 25.834 -6.892 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.482 -6.802 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 131 22.860 -5.707 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.538 -5.041 -1.566 1.00 0.00 H new ATOM 2158 N GLU A 132 26.324 -3.097 -1.231 1.00 0.00 N ATOM 2159 CA GLU A 132 26.464 -1.937 -2.121 1.00 0.00 C ATOM 2160 C GLU A 132 25.268 -1.816 -3.062 1.00 0.00 C ATOM 2161 O GLU A 132 24.722 -0.730 -3.237 1.00 0.00 O ATOM 2162 CB GLU A 132 27.744 -2.010 -2.949 1.00 0.00 C ATOM 2163 CG GLU A 132 28.090 -0.691 -3.617 1.00 0.00 C ATOM 2164 CD GLU A 132 28.619 0.340 -2.642 1.00 0.00 C ATOM 2165 OE1 GLU A 132 27.814 0.944 -1.901 1.00 0.00 O ATOM 2166 OE2 GLU A 132 29.848 0.555 -2.613 1.00 0.00 O ATOM 0 H GLU A 132 27.122 -3.732 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 132 26.510 -1.057 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.570 -2.314 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.634 -2.780 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.835 -0.866 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.203 -0.295 -4.111 1.00 0.00 H new ATOM 2173 N ASP A 133 24.865 -2.941 -3.647 1.00 0.00 N ATOM 2174 CA ASP A 133 23.731 -2.968 -4.588 1.00 0.00 C ATOM 2175 C ASP A 133 22.475 -2.366 -3.957 1.00 0.00 C ATOM 2176 O ASP A 133 21.823 -1.499 -4.550 1.00 0.00 O ATOM 2177 CB ASP A 133 23.445 -4.402 -5.096 1.00 0.00 C ATOM 2178 CG ASP A 133 22.049 -4.586 -5.644 1.00 0.00 C ATOM 2179 OD1 ASP A 133 21.812 -4.205 -6.811 1.00 0.00 O ATOM 2180 OD2 ASP A 133 21.188 -5.137 -4.925 1.00 0.00 O ATOM 0 H ASP A 133 25.302 -3.849 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 133 24.012 -2.357 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 133 24.167 -4.653 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 133 23.600 -5.105 -4.278 1.00 0.00 H new ATOM 2185 N PHE A 134 22.158 -2.794 -2.740 1.00 0.00 N ATOM 2186 CA PHE A 134 20.968 -2.307 -2.058 1.00 0.00 C ATOM 2187 C PHE A 134 21.157 -0.849 -1.659 1.00 0.00 C ATOM 2188 O PHE A 134 20.300 -0.007 -1.931 1.00 0.00 O ATOM 2189 CB PHE A 134 20.656 -3.154 -0.814 1.00 0.00 C ATOM 2190 CG PHE A 134 19.251 -2.953 -0.340 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.225 -2.900 -1.259 1.00 0.00 C ATOM 2192 CD2 PHE A 134 18.950 -2.806 1.004 1.00 0.00 C ATOM 2193 CE1 PHE A 134 16.930 -2.707 -0.861 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.646 -2.615 1.412 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.635 -2.565 0.475 1.00 0.00 C ATOM 0 H PHE A 134 22.705 -3.472 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 134 20.126 -2.388 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 134 20.815 -4.208 -1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.350 -2.894 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.447 -3.013 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.742 -2.841 1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.140 -2.666 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.417 -2.505 2.462 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.613 -2.415 0.790 1.00 0.00 H new ATOM 2205 N ARG A 135 22.289 -0.570 -1.023 1.00 0.00 N ATOM 2206 CA ARG A 135 22.688 0.791 -0.676 1.00 0.00 C ATOM 2207 C ARG A 135 22.504 1.727 -1.865 1.00 0.00 C ATOM 2208 O ARG A 135 21.847 2.758 -1.757 1.00 0.00 O ATOM 2209 CB ARG A 135 24.132 0.773 -0.210 1.00 0.00 C ATOM 2210 CG ARG A 135 24.807 2.154 -0.242 1.00 0.00 C ATOM 2211 CD ARG A 135 24.950 2.782 1.139 1.00 0.00 C ATOM 2212 NE ARG A 135 25.405 4.168 1.079 1.00 0.00 N ATOM 2213 CZ ARG A 135 25.213 5.052 2.055 1.00 0.00 C ATOM 2214 NH1 ARG A 135 24.579 4.692 3.162 1.00 0.00 N ATOM 2215 NH2 ARG A 135 25.666 6.289 1.927 1.00 0.00 N ATOM 0 H ARG A 135 22.958 -1.282 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 135 22.056 1.165 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 135 24.172 0.382 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.699 0.086 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.794 2.059 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.226 2.821 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 135 23.991 2.740 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 135 25.655 2.197 1.729 1.00 0.00 H new ATOM 0 HE ARG A 135 25.898 4.476 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 135 24.238 3.736 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 135 24.432 5.370 3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.163 6.565 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 135 25.519 6.966 2.675 1.00 0.00 H new ATOM 2229 N ARG A 136 23.048 1.314 -2.997 1.00 0.00 N ATOM 2230 CA ARG A 136 22.998 2.065 -4.236 1.00 0.00 C ATOM 2231 C ARG A 136 21.588 2.533 -4.573 1.00 0.00 C ATOM 2232 O ARG A 136 21.354 3.718 -4.820 1.00 0.00 O ATOM 2233 CB ARG A 136 23.477 1.165 -5.338 1.00 0.00 C ATOM 2234 CG ARG A 136 24.615 1.709 -6.166 1.00 0.00 C ATOM 2235 CD ARG A 136 24.954 0.744 -7.285 1.00 0.00 C ATOM 2236 NE ARG A 136 23.888 0.671 -8.285 1.00 0.00 N ATOM 2237 CZ ARG A 136 24.095 0.443 -9.581 1.00 0.00 C ATOM 2238 NH1 ARG A 136 25.329 0.301 -10.049 1.00 0.00 N ATOM 2239 NH2 ARG A 136 23.062 0.371 -10.409 1.00 0.00 N ATOM 0 H ARG A 136 23.547 0.428 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 136 23.623 2.951 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.789 0.217 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 136 22.638 0.950 -6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 136 24.341 2.678 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.490 1.868 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.881 1.056 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.129 -0.248 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 136 22.927 0.803 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 136 26.125 0.366 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 136 25.481 0.127 -11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 136 22.114 0.490 -10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 136 23.216 0.197 -11.402 1.00 0.00 H new ATOM 2253 N LYS A 137 20.657 1.591 -4.590 1.00 0.00 N ATOM 2254 CA LYS A 137 19.282 1.878 -4.980 1.00 0.00 C ATOM 2255 C LYS A 137 18.619 2.822 -3.988 1.00 0.00 C ATOM 2256 O LYS A 137 17.972 3.799 -4.374 1.00 0.00 O ATOM 2257 CB LYS A 137 18.477 0.584 -5.069 1.00 0.00 C ATOM 2258 CG LYS A 137 18.987 -0.384 -6.122 1.00 0.00 C ATOM 2259 CD LYS A 137 18.309 -1.737 -6.017 1.00 0.00 C ATOM 2260 CE LYS A 137 19.345 -2.829 -5.841 1.00 0.00 C ATOM 2261 NZ LYS A 137 18.749 -4.178 -5.727 1.00 0.00 N ATOM 0 H LYS A 137 20.828 0.618 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 137 19.305 2.359 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.492 0.090 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.437 0.828 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 137 18.814 0.033 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.064 -0.507 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.618 -1.741 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.719 -1.927 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 137 20.031 -2.811 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.935 -2.622 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.455 -4.838 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 17.927 -4.142 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.445 -4.504 -6.667 1.00 0.00 H new ATOM 2275 N LEU A 138 18.791 2.514 -2.711 1.00 0.00 N ATOM 2276 CA LEU A 138 18.222 3.315 -1.628 1.00 0.00 C ATOM 2277 C LEU A 138 18.673 4.778 -1.713 1.00 0.00 C ATOM 2278 O LEU A 138 17.939 5.688 -1.325 1.00 0.00 O ATOM 2279 CB LEU A 138 18.620 2.735 -0.271 1.00 0.00 C ATOM 2280 CG LEU A 138 18.334 1.244 -0.066 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.530 0.858 1.390 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.935 0.883 -0.527 1.00 0.00 C ATOM 0 H LEU A 138 19.326 1.706 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 138 17.138 3.284 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.687 2.903 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.100 3.294 0.507 1.00 0.00 H new ATOM 0 HG LEU A 138 19.043 0.682 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.322 -0.205 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.559 1.064 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.850 1.437 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.763 -0.182 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.205 1.457 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.831 1.113 -1.587 1.00 0.00 H new ATOM 2294 N LEU A 139 19.881 4.991 -2.225 1.00 0.00 N ATOM 2295 CA LEU A 139 20.446 6.332 -2.355 1.00 0.00 C ATOM 2296 C LEU A 139 19.844 7.072 -3.545 1.00 0.00 C ATOM 2297 O LEU A 139 19.611 8.279 -3.486 1.00 0.00 O ATOM 2298 CB LEU A 139 21.962 6.235 -2.522 1.00 0.00 C ATOM 2299 CG LEU A 139 22.667 5.440 -1.430 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.107 5.147 -1.812 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.594 6.191 -0.117 1.00 0.00 C ATOM 0 H LEU A 139 20.493 4.246 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 139 20.208 6.892 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.180 5.776 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.378 7.242 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 139 22.159 4.483 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.586 4.579 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.128 4.567 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.642 6.085 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.100 5.617 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 139 23.079 7.161 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.550 6.336 0.161 1.00 0.00 H new ATOM 2313 N LYS A 140 19.599 6.334 -4.620 1.00 0.00 N ATOM 2314 CA LYS A 140 19.042 6.899 -5.845 1.00 0.00 C ATOM 2315 C LYS A 140 17.601 7.344 -5.655 1.00 0.00 C ATOM 2316 O LYS A 140 17.109 8.205 -6.382 1.00 0.00 O ATOM 2317 CB LYS A 140 19.098 5.871 -6.965 1.00 0.00 C ATOM 2318 CG LYS A 140 20.068 6.226 -8.074 1.00 0.00 C ATOM 2319 CD LYS A 140 20.459 4.996 -8.872 1.00 0.00 C ATOM 2320 CE LYS A 140 21.478 4.158 -8.136 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.772 4.873 -7.985 1.00 0.00 N ATOM 0 H LYS A 140 19.779 5.331 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 140 19.642 7.772 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.379 4.905 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.101 5.756 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.614 6.964 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 140 20.960 6.686 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.572 4.396 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.866 5.301 -9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.090 3.895 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.639 3.224 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.547 4.181 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.921 5.497 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.755 5.442 -7.115 1.00 0.00 H new ATOM 2335 N ALA A 141 16.936 6.720 -4.694 1.00 0.00 N ATOM 2336 CA ALA A 141 15.535 6.992 -4.390 1.00 0.00 C ATOM 2337 C ALA A 141 15.244 8.483 -4.241 1.00 0.00 C ATOM 2338 O ALA A 141 15.658 9.071 -3.218 1.00 0.00 O ATOM 2339 CB ALA A 141 15.145 6.256 -3.127 1.00 0.00 C ATOM 2340 OXT ALA A 141 14.592 9.058 -5.141 1.00 0.00 O ATOM 0 H ALA A 141 17.354 6.006 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 141 14.940 6.639 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.099 6.457 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.285 5.185 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.770 6.595 -2.301 1.00 0.00 H new ATOM 2385 N ALA B 215 -17.507 3.531 8.867 1.00 0.00 N ATOM 2386 CA ALA B 215 -18.490 2.582 8.362 1.00 0.00 C ATOM 2387 C ALA B 215 -18.178 1.177 8.872 1.00 0.00 C ATOM 2388 O ALA B 215 -17.050 0.905 9.295 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.507 2.609 6.837 1.00 0.00 C ATOM 0 HA ALA B 215 -19.477 2.867 8.725 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.245 1.896 6.469 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.767 3.610 6.494 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.521 2.340 6.457 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.170 0.268 8.850 1.00 0.00 N ATOM 2396 CA PRO B 216 -18.972 -1.118 9.273 1.00 0.00 C ATOM 2397 C PRO B 216 -17.921 -1.817 8.416 1.00 0.00 C ATOM 2398 O PRO B 216 -17.629 -1.385 7.299 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.349 -1.771 9.086 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.097 -0.863 8.172 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.553 0.517 8.409 1.00 0.00 C ATOM 0 HA PRO B 216 -18.610 -1.186 10.299 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.256 -2.769 8.658 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -20.865 -1.880 10.040 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -20.962 -1.161 7.132 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.167 -0.900 8.378 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.583 1.122 7.503 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.127 1.050 9.167 1.00 0.00 H new ATOM 2409 N ARG B 217 -17.342 -2.885 8.933 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.282 -3.568 8.215 1.00 0.00 C ATOM 2411 C ARG B 217 -16.417 -5.080 8.300 1.00 0.00 C ATOM 2412 O ARG B 217 -17.095 -5.611 9.177 1.00 0.00 O ATOM 2413 CB ARG B 217 -14.914 -3.126 8.742 1.00 0.00 C ATOM 2414 CG ARG B 217 -14.713 -3.318 10.235 1.00 0.00 C ATOM 2415 CD ARG B 217 -13.297 -2.936 10.639 1.00 0.00 C ATOM 2416 NE ARG B 217 -12.918 -1.622 10.115 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.660 -1.183 10.029 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -10.653 -1.930 10.455 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -11.408 0.015 9.518 1.00 0.00 N ATOM 0 H ARG B 217 -17.584 -3.294 9.836 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.369 -3.292 7.164 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -14.140 -3.680 8.211 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -14.772 -2.072 8.503 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -15.430 -2.709 10.785 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -14.905 -4.357 10.503 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.218 -2.930 11.726 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -12.599 -3.689 10.273 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.663 -1.003 9.795 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -10.834 -2.851 10.854 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -9.696 -1.584 10.384 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.176 0.601 9.190 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -10.447 0.350 9.453 1.00 0.00 H new