USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -7.12! C(o=-24!,f=-34!) USER MOD Set 1.2: A 107 ASN : amide:sc= -16.7! C(o=-24!,f=-22!) USER MOD Set 2.1: A 103 THR OG1 : rot -60:sc= 0.0585 USER MOD Set 2.2: A 116 GLN : amide:sc= -13.5! C(o=-13!,f=-4.2!) USER MOD Set 3.1: A 55 HIS : no HD1:sc= -6.39! C(o=-7.4!,f=-13!) USER MOD Set 3.2: A 134 CYS SG : rot 69:sc= -1.03! USER MOD Set 4.1: A 27 GLN : amide:sc= -1.54! C(o=-8.1!,f=-13!) USER MOD Set 4.2: A 62 HIS : no HE2:sc= -6.56! C(o=-8.1!,f=-17!) USER MOD Single : A 8 GLN : amide:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.6) USER MOD Single : A 15 THR OG1 : rot -18:sc= 0.321 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -140:sc= 0 USER MOD Single : A 31 CYS SG : rot 24:sc= 0.964 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.546 K(o=-0.55,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.36! C(o=-3.4!,f=-12!) USER MOD Single : A 53 GLN : amide:sc= -5.57! C(o=-5.6!,f=-5.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0174 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 65 MET CE :methyl -153:sc= -0.245 (180deg=-1.33!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.143 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 70:sc= 0.00593 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 47:sc= 0.32 USER MOD Single : A 100 SER OG : rot 25:sc= 0.603 USER MOD Single : A 108 THR OG1 : rot 120:sc= -1.95 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.76) USER MOD Single : A 123 THR OG1 : rot 150:sc= 0.865 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.787 K(o=-0.79,f=-0.091) USER MOD Single : A 150 SER OG : rot -93:sc= 0.374 USER MOD Single : A 152 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-5.2!) USER MOD Single : A 153 THR OG1 : rot -36:sc= 0.461! USER MOD Single : A 154 CYS SG : rot 180:sc= -0.53 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -10.186 9.045 -6.236 1.00 1.00 N ATOM 79 CA ASP A 7 -9.760 10.030 -5.240 1.00 1.00 C ATOM 80 C ASP A 7 -8.952 9.356 -4.140 1.00 1.00 C ATOM 81 O ASP A 7 -8.674 9.952 -3.099 1.00 1.00 O ATOM 82 CB ASP A 7 -10.975 10.712 -4.621 1.00 1.00 C ATOM 83 CG ASP A 7 -11.952 9.668 -4.094 1.00 1.00 C ATOM 84 OD1 ASP A 7 -11.568 8.513 -4.013 1.00 1.00 O ATOM 85 OD2 ASP A 7 -13.072 10.038 -3.780 1.00 1.00 O ATOM 0 HA ASP A 7 -9.140 10.774 -5.739 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -10.659 11.368 -3.810 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -11.467 11.339 -5.364 1.00 1.00 H new ATOM 90 N GLN A 8 -8.577 8.110 -4.385 1.00 1.00 N ATOM 91 CA GLN A 8 -7.797 7.353 -3.415 1.00 1.00 C ATOM 92 C GLN A 8 -6.684 8.228 -2.834 1.00 1.00 C ATOM 93 O GLN A 8 -6.567 8.384 -1.622 1.00 1.00 O ATOM 94 CB GLN A 8 -7.174 6.128 -4.087 1.00 1.00 C ATOM 95 CG GLN A 8 -8.249 5.276 -4.764 1.00 1.00 C ATOM 96 CD GLN A 8 -9.354 4.939 -3.780 1.00 1.00 C ATOM 97 OE1 GLN A 8 -10.249 5.750 -3.549 1.00 1.00 O ATOM 98 NE2 GLN A 8 -9.332 3.790 -3.172 1.00 1.00 N ATOM 0 H GLN A 8 -8.798 7.603 -5.242 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.460 7.031 -2.612 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.438 6.447 -4.825 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.644 5.531 -3.345 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.664 5.813 -5.617 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.805 4.359 -5.150 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -8.586 3.123 -3.369 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -10.061 3.556 -2.498 1.00 1.00 H new ATOM 107 N SER A 9 -5.854 8.774 -3.710 1.00 1.00 N ATOM 108 CA SER A 9 -4.738 9.607 -3.267 1.00 1.00 C ATOM 109 C SER A 9 -5.225 10.711 -2.336 1.00 1.00 C ATOM 110 O SER A 9 -4.626 10.956 -1.288 1.00 1.00 O ATOM 111 CB SER A 9 -4.037 10.235 -4.471 1.00 1.00 C ATOM 112 OG SER A 9 -3.570 9.207 -5.333 1.00 1.00 O ATOM 0 H SER A 9 -5.927 8.660 -4.721 1.00 1.00 H new ATOM 0 HA SER A 9 -4.036 8.971 -2.727 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.725 10.889 -5.006 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.203 10.853 -4.139 1.00 1.00 H new ATOM 0 HG SER A 9 -3.122 9.608 -6.107 1.00 1.00 H new ATOM 118 N VAL A 10 -6.312 11.374 -2.713 1.00 1.00 N ATOM 119 CA VAL A 10 -6.854 12.445 -1.885 1.00 1.00 C ATOM 120 C VAL A 10 -7.313 11.886 -0.539 1.00 1.00 C ATOM 121 O VAL A 10 -7.003 12.437 0.516 1.00 1.00 O ATOM 122 CB VAL A 10 -8.038 13.097 -2.603 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.667 14.163 -1.705 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.553 13.742 -3.904 1.00 1.00 C ATOM 0 H VAL A 10 -6.829 11.193 -3.573 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.078 13.190 -1.712 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.784 12.336 -2.830 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.509 14.623 -2.222 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.016 13.701 -0.782 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -7.924 14.926 -1.471 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.396 14.207 -4.416 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -6.804 14.500 -3.677 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.114 12.979 -4.547 1.00 1.00 H new ATOM 134 N ALA A 11 -8.071 10.795 -0.597 1.00 1.00 N ATOM 135 CA ALA A 11 -8.600 10.171 0.606 1.00 1.00 C ATOM 136 C ALA A 11 -7.510 10.031 1.664 1.00 1.00 C ATOM 137 O ALA A 11 -7.716 10.392 2.823 1.00 1.00 O ATOM 138 CB ALA A 11 -9.181 8.790 0.271 1.00 1.00 C ATOM 0 H ALA A 11 -8.331 10.327 -1.465 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.391 10.807 1.003 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.574 8.331 1.178 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -9.984 8.900 -0.458 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.398 8.157 -0.145 1.00 1.00 H new ATOM 144 N ILE A 12 -6.356 9.504 1.270 1.00 1.00 N ATOM 145 CA ILE A 12 -5.266 9.332 2.217 1.00 1.00 C ATOM 146 C ILE A 12 -4.774 10.689 2.718 1.00 1.00 C ATOM 147 O ILE A 12 -4.611 10.902 3.918 1.00 1.00 O ATOM 148 CB ILE A 12 -4.114 8.572 1.554 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.642 7.256 0.956 1.00 1.00 C ATOM 150 CG2 ILE A 12 -3.018 8.276 2.584 1.00 1.00 C ATOM 151 CD1 ILE A 12 -5.363 6.420 2.021 1.00 1.00 C ATOM 0 H ILE A 12 -6.155 9.194 0.319 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.632 8.758 3.068 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.691 9.185 0.758 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.325 7.473 0.135 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.814 6.684 0.538 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -2.203 7.735 2.103 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.640 9.213 2.993 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.430 7.669 3.390 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.727 5.495 1.573 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.670 6.184 2.829 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -6.205 6.986 2.419 1.00 1.00 H new ATOM 163 N GLN A 13 -4.513 11.587 1.776 1.00 1.00 N ATOM 164 CA GLN A 13 -4.011 12.904 2.117 1.00 1.00 C ATOM 165 C GLN A 13 -4.823 13.501 3.265 1.00 1.00 C ATOM 166 O GLN A 13 -4.259 14.021 4.227 1.00 1.00 O ATOM 167 CB GLN A 13 -4.081 13.831 0.902 1.00 1.00 C ATOM 168 CG GLN A 13 -3.156 15.031 1.121 1.00 1.00 C ATOM 169 CD GLN A 13 -1.705 14.637 0.848 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.368 14.265 -0.276 1.00 1.00 O ATOM 171 NE2 GLN A 13 -0.819 14.690 1.808 1.00 1.00 N ATOM 0 H GLN A 13 -4.641 11.425 0.777 1.00 1.00 H new ATOM 0 HA GLN A 13 -2.972 12.804 2.430 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -3.787 13.291 0.002 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.105 14.171 0.749 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -3.448 15.849 0.463 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -3.255 15.394 2.144 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -1.095 14.998 2.740 1.00 1.00 H new ATOM 0 HE22 GLN A 13 0.148 14.424 1.625 1.00 1.00 H new ATOM 180 N GLU A 14 -6.150 13.429 3.161 1.00 1.00 N ATOM 181 CA GLU A 14 -7.014 13.974 4.202 1.00 1.00 C ATOM 182 C GLU A 14 -6.814 13.221 5.518 1.00 1.00 C ATOM 183 O GLU A 14 -6.687 13.827 6.581 1.00 1.00 O ATOM 184 CB GLU A 14 -8.478 13.848 3.767 1.00 1.00 C ATOM 185 CG GLU A 14 -8.723 14.685 2.507 1.00 1.00 C ATOM 186 CD GLU A 14 -8.557 16.167 2.820 1.00 1.00 C ATOM 187 OE1 GLU A 14 -9.177 16.626 3.765 1.00 1.00 O ATOM 188 OE2 GLU A 14 -7.816 16.824 2.108 1.00 1.00 O ATOM 0 H GLU A 14 -6.643 13.004 2.376 1.00 1.00 H new ATOM 0 HA GLU A 14 -6.757 15.022 4.354 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.720 12.803 3.572 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.135 14.183 4.570 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.024 14.391 1.724 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -9.727 14.496 2.126 1.00 1.00 H new ATOM 195 N THR A 15 -6.802 11.894 5.429 1.00 1.00 N ATOM 196 CA THR A 15 -6.632 11.053 6.613 1.00 1.00 C ATOM 197 C THR A 15 -5.209 11.137 7.161 1.00 1.00 C ATOM 198 O THR A 15 -4.996 11.005 8.366 1.00 1.00 O ATOM 199 CB THR A 15 -6.948 9.592 6.281 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.028 9.126 5.308 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.374 9.470 5.735 1.00 1.00 C ATOM 0 H THR A 15 -6.907 11.379 4.555 1.00 1.00 H new ATOM 0 HA THR A 15 -7.324 11.421 7.371 1.00 1.00 H new ATOM 0 HB THR A 15 -6.865 8.993 7.188 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.598 9.891 4.871 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.587 8.426 5.503 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.082 9.827 6.483 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.470 10.070 4.830 1.00 1.00 H new ATOM 209 N LEU A 16 -4.238 11.332 6.271 1.00 1.00 N ATOM 210 CA LEU A 16 -2.839 11.404 6.686 1.00 1.00 C ATOM 211 C LEU A 16 -2.639 12.521 7.715 1.00 1.00 C ATOM 212 O LEU A 16 -3.244 12.506 8.786 1.00 1.00 O ATOM 213 CB LEU A 16 -1.943 11.641 5.456 1.00 1.00 C ATOM 214 CG LEU A 16 -0.460 11.384 5.796 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.196 9.879 5.976 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.414 11.923 4.655 1.00 1.00 C ATOM 0 H LEU A 16 -4.391 11.442 5.269 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.561 10.459 7.152 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.253 10.984 4.644 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.067 12.665 5.103 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.217 11.892 6.729 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.856 9.720 6.215 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.815 9.496 6.787 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.442 9.354 5.053 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.464 11.746 4.886 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.156 11.413 3.727 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.243 12.993 4.540 1.00 1.00 H new ATOM 228 N VAL A 17 -1.793 13.488 7.384 1.00 1.00 N ATOM 229 CA VAL A 17 -1.527 14.605 8.277 1.00 1.00 C ATOM 230 C VAL A 17 -0.642 15.621 7.565 1.00 1.00 C ATOM 231 O VAL A 17 0.125 15.267 6.669 1.00 1.00 O ATOM 232 CB VAL A 17 -0.855 14.122 9.570 1.00 1.00 C ATOM 233 CG1 VAL A 17 0.349 13.231 9.237 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.392 15.335 10.387 1.00 1.00 C ATOM 0 H VAL A 17 -1.280 13.520 6.503 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.472 15.075 8.547 1.00 1.00 H new ATOM 0 HB VAL A 17 -1.572 13.542 10.152 1.00 1.00 H new ATOM 0 HG11 VAL A 17 0.819 12.894 10.161 1.00 1.00 H new ATOM 0 HG12 VAL A 17 0.014 12.367 8.663 1.00 1.00 H new ATOM 0 HG13 VAL A 17 1.071 13.799 8.650 1.00 1.00 H new ATOM 0 HG21 VAL A 17 0.085 14.994 11.306 1.00 1.00 H new ATOM 0 HG22 VAL A 17 0.320 15.917 9.802 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -1.252 15.957 10.634 1.00 1.00 H new ATOM 244 N GLU A 18 -0.764 16.881 7.952 1.00 1.00 N ATOM 245 CA GLU A 18 0.019 17.938 7.328 1.00 1.00 C ATOM 246 C GLU A 18 1.513 17.637 7.384 1.00 1.00 C ATOM 247 O GLU A 18 1.934 16.592 7.882 1.00 1.00 O ATOM 248 CB GLU A 18 -0.256 19.265 8.031 1.00 1.00 C ATOM 249 CG GLU A 18 -1.697 19.692 7.759 1.00 1.00 C ATOM 250 CD GLU A 18 -2.017 20.961 8.539 1.00 1.00 C ATOM 251 OE1 GLU A 18 -1.128 21.462 9.205 1.00 1.00 O ATOM 252 OE2 GLU A 18 -3.147 21.413 8.460 1.00 1.00 O ATOM 0 H GLU A 18 -1.393 17.196 8.690 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.277 17.999 6.281 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.091 19.162 9.104 1.00 1.00 H new ATOM 0 HB3 GLU A 18 0.435 20.029 7.674 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.839 19.865 6.692 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.382 18.895 8.047 1.00 1.00 H new ATOM 259 N GLY A 19 2.304 18.582 6.888 1.00 1.00 N ATOM 260 CA GLY A 19 3.759 18.453 6.891 1.00 1.00 C ATOM 261 C GLY A 19 4.242 17.272 6.051 1.00 1.00 C ATOM 262 O GLY A 19 5.342 17.307 5.501 1.00 1.00 O ATOM 0 H GLY A 19 1.961 19.450 6.477 1.00 1.00 H new ATOM 0 HA2 GLY A 19 4.203 19.372 6.509 1.00 1.00 H new ATOM 0 HA3 GLY A 19 4.108 18.332 7.917 1.00 1.00 H new ATOM 266 N GLU A 20 3.427 16.225 5.961 1.00 1.00 N ATOM 267 CA GLU A 20 3.799 15.041 5.195 1.00 1.00 C ATOM 268 C GLU A 20 3.422 15.198 3.725 1.00 1.00 C ATOM 269 O GLU A 20 2.912 16.236 3.304 1.00 1.00 O ATOM 270 CB GLU A 20 3.120 13.802 5.787 1.00 1.00 C ATOM 271 CG GLU A 20 3.880 13.346 7.038 1.00 1.00 C ATOM 272 CD GLU A 20 3.837 14.436 8.102 1.00 1.00 C ATOM 273 OE1 GLU A 20 4.602 15.380 7.986 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.043 14.312 9.019 1.00 1.00 O ATOM 0 H GLU A 20 2.511 16.172 6.406 1.00 1.00 H new ATOM 0 HA GLU A 20 4.881 14.920 5.254 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.085 14.029 6.041 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.099 13.000 5.050 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.438 12.429 7.428 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.915 13.118 6.782 1.00 1.00 H new ATOM 281 N TYR A 21 3.709 14.156 2.951 1.00 1.00 N ATOM 282 CA TYR A 21 3.434 14.166 1.515 1.00 1.00 C ATOM 283 C TYR A 21 2.938 12.808 1.034 1.00 1.00 C ATOM 284 O TYR A 21 3.636 11.804 1.159 1.00 1.00 O ATOM 285 CB TYR A 21 4.726 14.518 0.777 1.00 1.00 C ATOM 286 CG TYR A 21 4.434 14.831 -0.668 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.102 16.136 -1.049 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.512 13.819 -1.629 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.844 16.427 -2.392 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.257 14.109 -2.972 1.00 1.00 C ATOM 291 CZ TYR A 21 3.922 15.413 -3.355 1.00 1.00 C ATOM 292 OH TYR A 21 3.673 15.700 -4.681 1.00 1.00 O ATOM 0 H TYR A 21 4.132 13.293 3.293 1.00 1.00 H new ATOM 0 HA TYR A 21 2.655 14.901 1.313 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.203 15.375 1.253 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.428 13.687 0.841 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.045 16.918 -0.306 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.769 12.813 -1.333 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.585 17.433 -2.687 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.318 13.327 -3.714 1.00 1.00 H new ATOM 0 HH TYR A 21 3.771 14.885 -5.216 1.00 1.00 H new ATOM 302 N CYS A 22 1.754 12.796 0.423 1.00 1.00 N ATOM 303 CA CYS A 22 1.205 11.564 -0.138 1.00 1.00 C ATOM 304 C CYS A 22 1.625 11.501 -1.601 1.00 1.00 C ATOM 305 O CYS A 22 1.630 12.524 -2.287 1.00 1.00 O ATOM 306 CB CYS A 22 -0.325 11.529 -0.006 1.00 1.00 C ATOM 307 SG CYS A 22 -0.885 9.807 -0.025 1.00 1.00 S ATOM 0 H CYS A 22 1.162 13.618 0.305 1.00 1.00 H new ATOM 0 HA CYS A 22 1.587 10.700 0.406 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.633 12.014 0.920 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.785 12.083 -0.824 1.00 1.00 H new ATOM 0 HG CYS A 22 -1.978 9.714 -0.723 1.00 1.00 H new ATOM 313 N VAL A 23 1.994 10.319 -2.078 1.00 1.00 N ATOM 314 CA VAL A 23 2.436 10.161 -3.469 1.00 1.00 C ATOM 315 C VAL A 23 1.436 9.369 -4.300 1.00 1.00 C ATOM 316 O VAL A 23 1.086 9.762 -5.413 1.00 1.00 O ATOM 317 CB VAL A 23 3.766 9.412 -3.485 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.224 9.207 -4.931 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.813 10.219 -2.722 1.00 1.00 C ATOM 0 H VAL A 23 1.998 9.458 -1.531 1.00 1.00 H new ATOM 0 HA VAL A 23 2.532 11.157 -3.901 1.00 1.00 H new ATOM 0 HB VAL A 23 3.641 8.440 -3.008 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.174 8.672 -4.939 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.476 8.627 -5.471 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.349 10.176 -5.414 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.763 9.685 -2.733 1.00 1.00 H new ATOM 0 HG22 VAL A 23 4.939 11.192 -3.196 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.486 10.357 -1.691 1.00 1.00 H new ATOM 329 N ILE A 24 0.997 8.242 -3.760 1.00 1.00 N ATOM 330 CA ILE A 24 0.060 7.386 -4.470 1.00 1.00 C ATOM 331 C ILE A 24 -0.649 6.443 -3.507 1.00 1.00 C ATOM 332 O ILE A 24 -0.117 6.095 -2.453 1.00 1.00 O ATOM 333 CB ILE A 24 0.819 6.591 -5.540 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.149 5.720 -6.355 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.857 5.696 -4.870 1.00 1.00 C ATOM 336 CD1 ILE A 24 -1.160 6.600 -7.099 1.00 1.00 C ATOM 0 H ILE A 24 1.272 7.901 -2.839 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.700 8.005 -4.947 1.00 1.00 H new ATOM 0 HB ILE A 24 1.311 7.295 -6.211 1.00 1.00 H new ATOM 0 HG12 ILE A 24 0.409 5.114 -7.068 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -0.674 5.031 -5.693 1.00 1.00 H new ATOM 0 HG21 ILE A 24 2.396 5.131 -5.631 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.560 6.311 -4.309 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.358 5.005 -4.191 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -1.839 5.969 -7.672 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -1.730 7.187 -6.379 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -0.630 7.271 -7.775 1.00 1.00 H new ATOM 348 N ALA A 25 -1.850 6.036 -3.884 1.00 1.00 N ATOM 349 CA ALA A 25 -2.636 5.132 -3.065 1.00 1.00 C ATOM 350 C ALA A 25 -3.762 4.542 -3.893 1.00 1.00 C ATOM 351 O ALA A 25 -4.619 5.268 -4.368 1.00 1.00 O ATOM 352 CB ALA A 25 -3.229 5.898 -1.882 1.00 1.00 C ATOM 0 H ALA A 25 -2.301 6.319 -4.754 1.00 1.00 H new ATOM 0 HA ALA A 25 -1.995 4.331 -2.698 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -3.819 5.218 -1.267 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.423 6.322 -1.283 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -3.868 6.700 -2.251 1.00 1.00 H new ATOM 358 N VAL A 26 -3.744 3.230 -4.091 1.00 1.00 N ATOM 359 CA VAL A 26 -4.778 2.562 -4.892 1.00 1.00 C ATOM 360 C VAL A 26 -5.691 1.753 -3.976 1.00 1.00 C ATOM 361 O VAL A 26 -5.726 1.978 -2.767 1.00 1.00 O ATOM 362 CB VAL A 26 -4.117 1.647 -5.943 1.00 1.00 C ATOM 363 CG1 VAL A 26 -5.054 1.448 -7.166 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.801 2.291 -6.400 1.00 1.00 C ATOM 0 H VAL A 26 -3.032 2.605 -3.713 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.376 3.311 -5.412 1.00 1.00 H new ATOM 0 HB VAL A 26 -3.925 0.671 -5.498 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -4.568 0.799 -7.895 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -5.987 0.990 -6.839 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -5.265 2.414 -7.624 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.323 1.654 -7.144 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -3.007 3.268 -6.838 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -2.137 2.410 -5.544 1.00 1.00 H new ATOM 374 N GLN A 27 -6.428 0.807 -4.554 1.00 1.00 N ATOM 375 CA GLN A 27 -7.334 -0.037 -3.783 1.00 1.00 C ATOM 376 C GLN A 27 -7.220 -1.476 -4.256 1.00 1.00 C ATOM 377 O GLN A 27 -7.434 -1.777 -5.431 1.00 1.00 O ATOM 378 CB GLN A 27 -8.777 0.464 -3.957 1.00 1.00 C ATOM 379 CG GLN A 27 -9.665 0.006 -2.787 1.00 1.00 C ATOM 380 CD GLN A 27 -10.121 -1.437 -2.986 1.00 1.00 C ATOM 381 OE1 GLN A 27 -9.817 -2.055 -4.007 1.00 1.00 O ATOM 382 NE2 GLN A 27 -10.844 -2.008 -2.058 1.00 1.00 N ATOM 0 H GLN A 27 -6.415 0.607 -5.554 1.00 1.00 H new ATOM 0 HA GLN A 27 -7.066 0.010 -2.728 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.783 1.552 -4.018 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.185 0.090 -4.896 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.114 0.092 -1.851 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.534 0.659 -2.707 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.092 -1.491 -1.215 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.159 -2.971 -2.177 1.00 1.00 H new ATOM 391 N GLY A 28 -6.868 -2.358 -3.332 1.00 1.00 N ATOM 392 CA GLY A 28 -6.710 -3.772 -3.649 1.00 1.00 C ATOM 393 C GLY A 28 -7.782 -4.600 -2.967 1.00 1.00 C ATOM 394 O GLY A 28 -8.705 -4.068 -2.349 1.00 1.00 O ATOM 0 H GLY A 28 -6.686 -2.121 -2.357 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -6.765 -3.916 -4.728 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -5.724 -4.113 -3.332 1.00 1.00 H new ATOM 398 N VAL A 29 -7.628 -5.909 -3.067 1.00 1.00 N ATOM 399 CA VAL A 29 -8.556 -6.843 -2.443 1.00 1.00 C ATOM 400 C VAL A 29 -7.769 -7.921 -1.718 1.00 1.00 C ATOM 401 O VAL A 29 -6.640 -8.221 -2.069 1.00 1.00 O ATOM 402 CB VAL A 29 -9.469 -7.477 -3.505 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.227 -8.674 -2.910 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.472 -6.431 -3.998 1.00 1.00 C ATOM 0 H VAL A 29 -6.865 -6.354 -3.577 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.181 -6.307 -1.728 1.00 1.00 H new ATOM 0 HB VAL A 29 -8.858 -7.826 -4.338 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -10.870 -9.113 -3.673 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -9.513 -9.421 -2.563 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -10.837 -8.338 -2.071 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.122 -6.877 -4.751 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.075 -6.082 -3.160 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.935 -5.589 -4.434 1.00 1.00 H new ATOM 414 N LEU A 30 -8.403 -8.526 -0.740 1.00 1.00 N ATOM 415 CA LEU A 30 -7.800 -9.616 0.017 1.00 1.00 C ATOM 416 C LEU A 30 -8.845 -10.712 0.108 1.00 1.00 C ATOM 417 O LEU A 30 -9.897 -10.503 0.714 1.00 1.00 O ATOM 418 CB LEU A 30 -7.426 -9.138 1.431 1.00 1.00 C ATOM 419 CG LEU A 30 -6.384 -10.078 2.063 1.00 1.00 C ATOM 420 CD1 LEU A 30 -6.911 -11.525 2.071 1.00 1.00 C ATOM 421 CD2 LEU A 30 -5.047 -9.992 1.285 1.00 1.00 C ATOM 0 H LEU A 30 -9.348 -8.283 -0.442 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.891 -9.971 -0.469 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -7.028 -8.124 1.385 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.318 -9.102 2.056 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.207 -9.768 3.093 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.166 -12.181 2.520 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -7.833 -11.573 2.650 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -7.108 -11.846 1.048 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -4.317 -10.661 1.741 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.210 -10.285 0.248 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -4.672 -8.969 1.318 1.00 1.00 H new ATOM 433 N CYS A 31 -8.590 -11.868 -0.494 1.00 1.00 N ATOM 434 CA CYS A 31 -9.556 -12.958 -0.464 1.00 1.00 C ATOM 435 C CYS A 31 -9.099 -14.065 0.475 1.00 1.00 C ATOM 436 O CYS A 31 -7.969 -14.544 0.387 1.00 1.00 O ATOM 437 CB CYS A 31 -9.696 -13.525 -1.876 1.00 1.00 C ATOM 438 SG CYS A 31 -8.197 -14.444 -2.306 1.00 1.00 S ATOM 0 H CYS A 31 -7.731 -12.073 -1.004 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.511 -12.574 -0.105 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -10.566 -14.179 -1.932 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -9.858 -12.717 -2.590 1.00 1.00 H new ATOM 0 HG CYS A 31 -7.603 -14.838 -1.219 1.00 1.00 H new ATOM 444 N LYS A 32 -10.000 -14.485 1.357 1.00 1.00 N ATOM 445 CA LYS A 32 -9.713 -15.563 2.296 1.00 1.00 C ATOM 446 C LYS A 32 -10.930 -16.471 2.402 1.00 1.00 C ATOM 447 O LYS A 32 -12.059 -15.998 2.542 1.00 1.00 O ATOM 448 CB LYS A 32 -9.345 -15.008 3.681 1.00 1.00 C ATOM 449 CG LYS A 32 -9.305 -16.158 4.694 1.00 1.00 C ATOM 450 CD LYS A 32 -8.604 -15.711 5.974 1.00 1.00 C ATOM 451 CE LYS A 32 -9.233 -14.419 6.495 1.00 1.00 C ATOM 452 NZ LYS A 32 -8.838 -14.220 7.918 1.00 1.00 N ATOM 0 H LYS A 32 -10.938 -14.094 1.441 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.859 -16.131 1.927 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.376 -14.510 3.640 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -10.075 -14.260 3.991 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -10.319 -16.486 4.922 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -8.782 -17.012 4.264 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -8.679 -16.492 6.731 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -7.543 -15.556 5.781 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -8.905 -13.572 5.892 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -10.319 -14.469 6.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -9.264 -13.342 8.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -9.172 -15.024 8.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -7.802 -14.155 7.985 1.00 1.00 H new ATOM 466 N GLY A 33 -10.693 -17.773 2.339 1.00 1.00 N ATOM 467 CA GLY A 33 -11.780 -18.736 2.430 1.00 1.00 C ATOM 468 C GLY A 33 -12.916 -18.363 1.486 1.00 1.00 C ATOM 469 O GLY A 33 -12.781 -18.456 0.266 1.00 1.00 O ATOM 0 H GLY A 33 -9.766 -18.184 2.226 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -11.411 -19.732 2.185 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -12.151 -18.776 3.454 1.00 1.00 H new ATOM 473 N ASP A 34 -14.032 -17.922 2.063 1.00 1.00 N ATOM 474 CA ASP A 34 -15.199 -17.514 1.283 1.00 1.00 C ATOM 475 C ASP A 34 -15.720 -16.184 1.811 1.00 1.00 C ATOM 476 O ASP A 34 -16.900 -15.863 1.674 1.00 1.00 O ATOM 477 CB ASP A 34 -16.292 -18.581 1.377 1.00 1.00 C ATOM 478 CG ASP A 34 -15.906 -19.797 0.541 1.00 1.00 C ATOM 479 OD1 ASP A 34 -14.953 -19.695 -0.215 1.00 1.00 O ATOM 480 OD2 ASP A 34 -16.569 -20.813 0.667 1.00 1.00 O ATOM 0 H ASP A 34 -14.153 -17.838 3.072 1.00 1.00 H new ATOM 0 HA ASP A 34 -14.913 -17.400 0.238 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -16.436 -18.875 2.417 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -17.240 -18.174 1.026 1.00 1.00 H new ATOM 485 N SER A 35 -14.813 -15.409 2.410 1.00 1.00 N ATOM 486 CA SER A 35 -15.157 -14.097 2.959 1.00 1.00 C ATOM 487 C SER A 35 -14.327 -13.026 2.265 1.00 1.00 C ATOM 488 O SER A 35 -13.140 -12.869 2.550 1.00 1.00 O ATOM 489 CB SER A 35 -14.875 -14.075 4.461 1.00 1.00 C ATOM 490 OG SER A 35 -15.178 -12.786 4.978 1.00 1.00 O ATOM 0 H SER A 35 -13.834 -15.669 2.527 1.00 1.00 H new ATOM 0 HA SER A 35 -16.216 -13.901 2.793 1.00 1.00 H new ATOM 0 HB2 SER A 35 -15.475 -14.832 4.966 1.00 1.00 H new ATOM 0 HB3 SER A 35 -13.829 -14.318 4.650 1.00 1.00 H new ATOM 0 HG SER A 35 -14.999 -12.770 5.941 1.00 1.00 H new ATOM 496 N ARG A 36 -14.948 -12.301 1.342 1.00 1.00 N ATOM 497 CA ARG A 36 -14.239 -11.265 0.606 1.00 1.00 C ATOM 498 C ARG A 36 -13.972 -10.058 1.495 1.00 1.00 C ATOM 499 O ARG A 36 -14.825 -9.649 2.284 1.00 1.00 O ATOM 500 CB ARG A 36 -15.058 -10.840 -0.624 1.00 1.00 C ATOM 501 CG ARG A 36 -14.139 -10.214 -1.691 1.00 1.00 C ATOM 502 CD ARG A 36 -13.538 -11.313 -2.581 1.00 1.00 C ATOM 503 NE ARG A 36 -12.731 -10.718 -3.640 1.00 1.00 N ATOM 504 CZ ARG A 36 -12.073 -11.476 -4.511 1.00 1.00 C ATOM 505 NH1 ARG A 36 -12.143 -12.778 -4.431 1.00 1.00 N ATOM 506 NH2 ARG A 36 -11.355 -10.920 -5.448 1.00 1.00 N ATOM 0 H ARG A 36 -15.930 -12.410 1.088 1.00 1.00 H new ATOM 0 HA ARG A 36 -13.282 -11.670 0.278 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -15.574 -11.704 -1.041 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -15.824 -10.123 -0.329 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -14.704 -9.510 -2.301 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -13.341 -9.649 -1.209 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.924 -11.983 -1.979 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -14.335 -11.915 -3.016 1.00 1.00 H new ATOM 0 HE ARG A 36 -12.671 -9.702 -3.713 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -12.703 -13.215 -3.699 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -11.637 -13.358 -5.100 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -11.299 -9.904 -5.512 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -10.850 -11.502 -6.116 1.00 1.00 H new ATOM 520 N GLN A 37 -12.773 -9.497 1.362 1.00 1.00 N ATOM 521 CA GLN A 37 -12.372 -8.336 2.151 1.00 1.00 C ATOM 522 C GLN A 37 -11.795 -7.254 1.247 1.00 1.00 C ATOM 523 O GLN A 37 -11.242 -7.542 0.185 1.00 1.00 O ATOM 524 CB GLN A 37 -11.330 -8.767 3.181 1.00 1.00 C ATOM 525 CG GLN A 37 -11.999 -9.656 4.228 1.00 1.00 C ATOM 526 CD GLN A 37 -10.940 -10.344 5.076 1.00 1.00 C ATOM 527 OE1 GLN A 37 -10.462 -9.776 6.059 1.00 1.00 O ATOM 528 NE2 GLN A 37 -10.545 -11.542 4.749 1.00 1.00 N ATOM 0 H GLN A 37 -12.060 -9.829 0.713 1.00 1.00 H new ATOM 0 HA GLN A 37 -13.245 -7.928 2.661 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.519 -9.307 2.692 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.888 -7.892 3.658 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.653 -9.057 4.862 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -12.626 -10.401 3.738 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -10.945 -12.006 3.934 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -9.836 -12.016 5.308 1.00 1.00 H new ATOM 537 N SER A 38 -11.922 -6.008 1.689 1.00 1.00 N ATOM 538 CA SER A 38 -11.406 -4.864 0.932 1.00 1.00 C ATOM 539 C SER A 38 -10.367 -4.103 1.745 1.00 1.00 C ATOM 540 O SER A 38 -10.619 -3.703 2.881 1.00 1.00 O ATOM 541 CB SER A 38 -12.546 -3.933 0.529 1.00 1.00 C ATOM 542 OG SER A 38 -13.641 -4.710 0.058 1.00 1.00 O ATOM 0 H SER A 38 -12.377 -5.760 2.567 1.00 1.00 H new ATOM 0 HA SER A 38 -10.927 -5.242 0.029 1.00 1.00 H new ATOM 0 HB2 SER A 38 -12.855 -3.327 1.381 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.212 -3.245 -0.248 1.00 1.00 H new ATOM 0 HG SER A 38 -14.376 -4.116 -0.200 1.00 1.00 H new ATOM 548 N ARG A 39 -9.196 -3.900 1.146 1.00 1.00 N ATOM 549 CA ARG A 39 -8.104 -3.180 1.802 1.00 1.00 C ATOM 550 C ARG A 39 -7.697 -1.966 0.977 1.00 1.00 C ATOM 551 O ARG A 39 -7.692 -2.007 -0.252 1.00 1.00 O ATOM 552 CB ARG A 39 -6.902 -4.102 1.980 1.00 1.00 C ATOM 553 CG ARG A 39 -7.199 -5.142 3.063 1.00 1.00 C ATOM 554 CD ARG A 39 -5.963 -6.018 3.275 1.00 1.00 C ATOM 555 NE ARG A 39 -6.229 -7.039 4.286 1.00 1.00 N ATOM 556 CZ ARG A 39 -6.010 -6.812 5.578 1.00 1.00 C ATOM 557 NH1 ARG A 39 -5.567 -5.648 5.972 1.00 1.00 N ATOM 558 NH2 ARG A 39 -6.240 -7.752 6.453 1.00 1.00 N ATOM 0 H ARG A 39 -8.977 -4.225 0.204 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.450 -2.845 2.780 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.672 -4.600 1.038 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.023 -3.519 2.255 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -7.472 -4.646 3.995 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.049 -5.758 2.769 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -5.680 -6.493 2.335 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.121 -5.400 3.586 1.00 1.00 H new ATOM 0 HE ARG A 39 -6.591 -7.947 3.994 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.389 -4.912 5.289 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -5.399 -5.475 6.963 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -6.588 -8.660 6.146 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.072 -7.578 7.444 1.00 1.00 H new ATOM 572 N LEU A 40 -7.365 -0.881 1.672 1.00 1.00 N ATOM 573 CA LEU A 40 -6.965 0.364 1.012 1.00 1.00 C ATOM 574 C LEU A 40 -5.458 0.554 1.157 1.00 1.00 C ATOM 575 O LEU A 40 -4.948 0.692 2.269 1.00 1.00 O ATOM 576 CB LEU A 40 -7.717 1.534 1.669 1.00 1.00 C ATOM 577 CG LEU A 40 -7.767 2.764 0.739 1.00 1.00 C ATOM 578 CD1 LEU A 40 -6.356 3.166 0.292 1.00 1.00 C ATOM 579 CD2 LEU A 40 -8.639 2.466 -0.500 1.00 1.00 C ATOM 0 H LEU A 40 -7.364 -0.836 2.691 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.211 0.326 -0.049 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.732 1.223 1.918 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.228 1.803 2.605 1.00 1.00 H new ATOM 0 HG LEU A 40 -8.207 3.591 1.297 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -6.416 4.035 -0.363 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -5.753 3.411 1.167 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -5.895 2.338 -0.246 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -8.665 3.343 -1.146 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -8.217 1.624 -1.048 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -9.652 2.221 -0.181 1.00 1.00 H new ATOM 591 N LEU A 41 -4.742 0.550 0.030 1.00 1.00 N ATOM 592 CA LEU A 41 -3.290 0.711 0.055 1.00 1.00 C ATOM 593 C LEU A 41 -2.907 2.186 0.004 1.00 1.00 C ATOM 594 O LEU A 41 -3.664 3.017 -0.494 1.00 1.00 O ATOM 595 CB LEU A 41 -2.678 -0.008 -1.155 1.00 1.00 C ATOM 596 CG LEU A 41 -2.626 -1.519 -0.903 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.049 -2.078 -0.801 1.00 1.00 C ATOM 598 CD2 LEU A 41 -1.893 -2.193 -2.066 1.00 1.00 C ATOM 0 H LEU A 41 -5.141 0.438 -0.902 1.00 1.00 H new ATOM 0 HA LEU A 41 -2.910 0.281 0.982 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -3.269 0.199 -2.047 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.674 0.371 -1.343 1.00 1.00 H new ATOM 0 HG LEU A 41 -2.099 -1.716 0.031 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.006 -3.152 -0.622 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -4.572 -1.593 0.023 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.583 -1.887 -1.732 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -1.851 -3.269 -1.895 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -2.425 -1.994 -2.996 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -0.880 -1.797 -2.136 1.00 1.00 H new ATOM 610 N GLY A 42 -1.720 2.498 0.517 1.00 1.00 N ATOM 611 CA GLY A 42 -1.234 3.871 0.518 1.00 1.00 C ATOM 612 C GLY A 42 0.287 3.908 0.619 1.00 1.00 C ATOM 613 O GLY A 42 0.892 3.124 1.349 1.00 1.00 O ATOM 0 H GLY A 42 -1.081 1.821 0.935 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.555 4.375 -0.393 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.672 4.416 1.355 1.00 1.00 H new ATOM 617 N LEU A 43 0.894 4.850 -0.100 1.00 1.00 N ATOM 618 CA LEU A 43 2.350 5.031 -0.083 1.00 1.00 C ATOM 619 C LEU A 43 2.669 6.469 0.291 1.00 1.00 C ATOM 620 O LEU A 43 2.122 7.403 -0.296 1.00 1.00 O ATOM 621 CB LEU A 43 2.935 4.693 -1.457 1.00 1.00 C ATOM 622 CG LEU A 43 4.442 4.988 -1.496 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.158 4.269 -0.346 1.00 1.00 C ATOM 624 CD2 LEU A 43 5.008 4.496 -2.834 1.00 1.00 C ATOM 0 H LEU A 43 0.400 5.505 -0.706 1.00 1.00 H new ATOM 0 HA LEU A 43 2.795 4.362 0.654 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.760 3.641 -1.683 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.426 5.273 -2.227 1.00 1.00 H new ATOM 0 HG LEU A 43 4.601 6.061 -1.390 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.225 4.488 -0.388 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.754 4.613 0.606 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.005 3.194 -0.438 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.078 4.700 -2.874 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.839 3.423 -2.928 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.509 5.015 -3.653 1.00 1.00 H new ATOM 636 N VAL A 44 3.537 6.648 1.287 1.00 1.00 N ATOM 637 CA VAL A 44 3.893 7.995 1.750 1.00 1.00 C ATOM 638 C VAL A 44 5.393 8.237 1.700 1.00 1.00 C ATOM 639 O VAL A 44 6.185 7.442 2.208 1.00 1.00 O ATOM 640 CB VAL A 44 3.405 8.181 3.188 1.00 1.00 C ATOM 641 CG1 VAL A 44 4.145 7.213 4.116 1.00 1.00 C ATOM 642 CG2 VAL A 44 3.670 9.621 3.634 1.00 1.00 C ATOM 0 H VAL A 44 4.003 5.890 1.785 1.00 1.00 H new ATOM 0 HA VAL A 44 3.414 8.712 1.083 1.00 1.00 H new ATOM 0 HB VAL A 44 2.336 7.976 3.235 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.794 7.349 5.139 1.00 1.00 H new ATOM 0 HG12 VAL A 44 3.953 6.188 3.800 1.00 1.00 H new ATOM 0 HG13 VAL A 44 5.216 7.412 4.070 1.00 1.00 H new ATOM 0 HG21 VAL A 44 3.323 9.754 4.658 1.00 1.00 H new ATOM 0 HG22 VAL A 44 4.739 9.827 3.584 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.137 10.309 2.978 1.00 1.00 H new ATOM 652 N ARG A 45 5.772 9.369 1.109 1.00 1.00 N ATOM 653 CA ARG A 45 7.175 9.762 1.019 1.00 1.00 C ATOM 654 C ARG A 45 7.416 10.934 1.956 1.00 1.00 C ATOM 655 O ARG A 45 6.787 11.985 1.833 1.00 1.00 O ATOM 656 CB ARG A 45 7.524 10.158 -0.414 1.00 1.00 C ATOM 657 CG ARG A 45 8.989 10.591 -0.486 1.00 1.00 C ATOM 658 CD ARG A 45 9.383 10.793 -1.948 1.00 1.00 C ATOM 659 NE ARG A 45 8.641 11.911 -2.517 1.00 1.00 N ATOM 660 CZ ARG A 45 8.675 12.166 -3.820 1.00 1.00 C ATOM 661 NH1 ARG A 45 9.365 11.397 -4.617 1.00 1.00 N ATOM 662 NH2 ARG A 45 8.014 13.182 -4.303 1.00 1.00 N ATOM 0 H ARG A 45 5.123 10.032 0.684 1.00 1.00 H new ATOM 0 HA ARG A 45 7.808 8.922 1.306 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.349 9.318 -1.087 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.878 10.971 -0.745 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.135 11.515 0.073 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.627 9.836 -0.026 1.00 1.00 H new ATOM 0 HD2 ARG A 45 10.454 10.982 -2.021 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.180 9.885 -2.516 1.00 1.00 H new ATOM 0 HE ARG A 45 8.086 12.508 -1.904 1.00 1.00 H new ATOM 0 HH11 ARG A 45 9.878 10.600 -4.239 1.00 1.00 H new ATOM 0 HH12 ARG A 45 9.391 11.592 -5.618 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.471 13.780 -3.680 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.040 13.378 -5.304 1.00 1.00 H new ATOM 676 N TYR A 46 8.317 10.733 2.910 1.00 1.00 N ATOM 677 CA TYR A 46 8.636 11.758 3.900 1.00 1.00 C ATOM 678 C TYR A 46 10.059 12.262 3.686 1.00 1.00 C ATOM 679 O TYR A 46 10.992 11.469 3.562 1.00 1.00 O ATOM 680 CB TYR A 46 8.478 11.149 5.295 1.00 1.00 C ATOM 681 CG TYR A 46 8.803 12.173 6.354 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.964 13.279 6.537 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.936 12.012 7.161 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.261 14.226 7.525 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.231 12.957 8.147 1.00 1.00 C ATOM 686 CZ TYR A 46 9.395 14.064 8.329 1.00 1.00 C ATOM 687 OH TYR A 46 9.688 14.998 9.302 1.00 1.00 O ATOM 0 H TYR A 46 8.843 9.866 3.020 1.00 1.00 H new ATOM 0 HA TYR A 46 7.961 12.607 3.797 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.458 10.789 5.429 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.136 10.287 5.399 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.088 13.402 5.917 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.582 11.158 7.021 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.616 15.080 7.666 1.00 1.00 H new ATOM 0 HE2 TYR A 46 11.105 12.833 8.769 1.00 1.00 H new ATOM 0 HH TYR A 46 10.508 14.736 9.771 1.00 1.00 H new ATOM 697 N ARG A 47 10.215 13.587 3.625 1.00 1.00 N ATOM 698 CA ARG A 47 11.531 14.196 3.403 1.00 1.00 C ATOM 699 C ARG A 47 11.946 15.061 4.588 1.00 1.00 C ATOM 700 O ARG A 47 11.108 15.510 5.370 1.00 1.00 O ATOM 701 CB ARG A 47 11.508 15.040 2.120 1.00 1.00 C ATOM 702 CG ARG A 47 10.541 16.220 2.275 1.00 1.00 C ATOM 703 CD ARG A 47 10.512 17.030 0.976 1.00 1.00 C ATOM 704 NE ARG A 47 9.603 18.167 1.108 1.00 1.00 N ATOM 705 CZ ARG A 47 10.018 19.332 1.602 1.00 1.00 C ATOM 706 NH1 ARG A 47 11.257 19.478 1.984 1.00 1.00 N ATOM 707 NH2 ARG A 47 9.183 20.331 1.705 1.00 1.00 N ATOM 0 H ARG A 47 9.452 14.256 3.725 1.00 1.00 H new ATOM 0 HA ARG A 47 12.262 13.394 3.297 1.00 1.00 H new ATOM 0 HB2 ARG A 47 12.510 15.409 1.902 1.00 1.00 H new ATOM 0 HB3 ARG A 47 11.205 14.421 1.275 1.00 1.00 H new ATOM 0 HG2 ARG A 47 9.541 15.856 2.512 1.00 1.00 H new ATOM 0 HG3 ARG A 47 10.854 16.854 3.105 1.00 1.00 H new ATOM 0 HD2 ARG A 47 11.515 17.383 0.737 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.193 16.394 0.150 1.00 1.00 H new ATOM 0 HE ARG A 47 8.631 18.066 0.816 1.00 1.00 H new ATOM 0 HH11 ARG A 47 11.910 18.699 1.905 1.00 1.00 H new ATOM 0 HH12 ARG A 47 11.572 20.371 2.362 1.00 1.00 H new ATOM 0 HH21 ARG A 47 8.214 20.218 1.407 1.00 1.00 H new ATOM 0 HH22 ARG A 47 9.500 21.224 2.083 1.00 1.00 H new ATOM 721 N LEU A 48 13.255 15.287 4.708 1.00 1.00 N ATOM 722 CA LEU A 48 13.808 16.099 5.794 1.00 1.00 C ATOM 723 C LEU A 48 14.370 17.403 5.248 1.00 1.00 C ATOM 724 O LEU A 48 14.815 17.472 4.102 1.00 1.00 O ATOM 725 CB LEU A 48 14.929 15.337 6.508 1.00 1.00 C ATOM 726 CG LEU A 48 14.382 14.042 7.127 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.545 13.243 7.733 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.353 14.376 8.225 1.00 1.00 C ATOM 0 H LEU A 48 13.955 14.918 4.064 1.00 1.00 H new ATOM 0 HA LEU A 48 13.005 16.315 6.498 1.00 1.00 H new ATOM 0 HB2 LEU A 48 15.726 15.103 5.802 1.00 1.00 H new ATOM 0 HB3 LEU A 48 15.366 15.964 7.285 1.00 1.00 H new ATOM 0 HG LEU A 48 13.892 13.450 6.354 1.00 1.00 H new ATOM 0 HD11 LEU A 48 15.163 12.322 8.174 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.265 13.000 6.952 1.00 1.00 H new ATOM 0 HD13 LEU A 48 16.033 13.839 8.504 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.970 13.452 8.658 1.00 1.00 H new ATOM 0 HD22 LEU A 48 13.831 14.971 9.003 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.529 14.942 7.791 1.00 1.00 H new ATOM 740 N GLU A 49 14.356 18.431 6.084 1.00 1.00 N ATOM 741 CA GLU A 49 14.872 19.735 5.692 1.00 1.00 C ATOM 742 C GLU A 49 16.371 19.658 5.422 1.00 1.00 C ATOM 743 O GLU A 49 17.000 20.655 5.069 1.00 1.00 O ATOM 744 CB GLU A 49 14.604 20.747 6.806 1.00 1.00 C ATOM 745 CG GLU A 49 13.102 21.015 6.897 1.00 1.00 C ATOM 746 CD GLU A 49 12.808 21.930 8.080 1.00 1.00 C ATOM 747 OE1 GLU A 49 13.741 22.267 8.789 1.00 1.00 O ATOM 748 OE2 GLU A 49 11.653 22.278 8.261 1.00 1.00 O ATOM 0 H GLU A 49 13.994 18.388 7.037 1.00 1.00 H new ATOM 0 HA GLU A 49 14.368 20.051 4.779 1.00 1.00 H new ATOM 0 HB2 GLU A 49 14.975 20.364 7.757 1.00 1.00 H new ATOM 0 HB3 GLU A 49 15.139 21.675 6.606 1.00 1.00 H new ATOM 0 HG2 GLU A 49 12.750 21.475 5.974 1.00 1.00 H new ATOM 0 HG3 GLU A 49 12.562 20.075 7.011 1.00 1.00 H new ATOM 755 N ASN A 50 16.937 18.462 5.590 1.00 1.00 N ATOM 756 CA ASN A 50 18.371 18.246 5.365 1.00 1.00 C ATOM 757 C ASN A 50 18.600 17.350 4.148 1.00 1.00 C ATOM 758 O ASN A 50 19.696 16.822 3.970 1.00 1.00 O ATOM 759 CB ASN A 50 18.989 17.587 6.601 1.00 1.00 C ATOM 760 CG ASN A 50 18.339 16.229 6.852 1.00 1.00 C ATOM 761 OD1 ASN A 50 18.030 15.502 5.907 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.107 15.844 8.076 1.00 1.00 N ATOM 0 H ASN A 50 16.427 17.628 5.881 1.00 1.00 H new ATOM 0 HA ASN A 50 18.842 19.212 5.182 1.00 1.00 H new ATOM 0 HB2 ASN A 50 20.063 17.464 6.459 1.00 1.00 H new ATOM 0 HB3 ASN A 50 18.854 18.230 7.471 1.00 1.00 H new ATOM 0 HD21 ASN A 50 17.669 14.940 8.252 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.363 16.447 8.858 1.00 1.00 H new ATOM 769 N ASP A 51 17.550 17.159 3.343 1.00 1.00 N ATOM 770 CA ASP A 51 17.604 16.298 2.153 1.00 1.00 C ATOM 771 C ASP A 51 17.187 14.880 2.531 1.00 1.00 C ATOM 772 O ASP A 51 16.073 14.459 2.230 1.00 1.00 O ATOM 773 CB ASP A 51 19.000 16.277 1.504 1.00 1.00 C ATOM 774 CG ASP A 51 19.614 17.676 1.507 1.00 1.00 C ATOM 775 OD1 ASP A 51 18.867 18.630 1.368 1.00 1.00 O ATOM 776 OD2 ASP A 51 20.822 17.771 1.647 1.00 1.00 O ATOM 0 H ASP A 51 16.640 17.595 3.496 1.00 1.00 H new ATOM 0 HA ASP A 51 16.914 16.711 1.417 1.00 1.00 H new ATOM 0 HB2 ASP A 51 19.648 15.588 2.045 1.00 1.00 H new ATOM 0 HB3 ASP A 51 18.926 15.908 0.481 1.00 1.00 H new ATOM 781 N ALA A 52 18.095 14.167 3.207 1.00 1.00 N ATOM 782 CA ALA A 52 17.858 12.789 3.663 1.00 1.00 C ATOM 783 C ALA A 52 16.366 12.489 3.801 1.00 1.00 C ATOM 784 O ALA A 52 15.677 13.055 4.650 1.00 1.00 O ATOM 785 CB ALA A 52 18.555 12.567 5.007 1.00 1.00 C ATOM 0 H ALA A 52 19.016 14.528 3.454 1.00 1.00 H new ATOM 0 HA ALA A 52 18.267 12.111 2.914 1.00 1.00 H new ATOM 0 HB1 ALA A 52 18.379 11.546 5.344 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.626 12.732 4.893 1.00 1.00 H new ATOM 0 HB3 ALA A 52 18.157 13.266 5.743 1.00 1.00 H new ATOM 791 N GLN A 53 15.875 11.612 2.934 1.00 1.00 N ATOM 792 CA GLN A 53 14.458 11.238 2.914 1.00 1.00 C ATOM 793 C GLN A 53 14.288 9.758 3.244 1.00 1.00 C ATOM 794 O GLN A 53 15.265 9.020 3.371 1.00 1.00 O ATOM 795 CB GLN A 53 13.874 11.535 1.513 1.00 1.00 C ATOM 796 CG GLN A 53 14.986 11.440 0.445 1.00 1.00 C ATOM 797 CD GLN A 53 15.690 12.783 0.297 1.00 1.00 C ATOM 798 OE1 GLN A 53 16.919 12.846 0.307 1.00 1.00 O ATOM 799 NE2 GLN A 53 14.975 13.866 0.166 1.00 1.00 N ATOM 0 H GLN A 53 16.440 11.140 2.228 1.00 1.00 H new ATOM 0 HA GLN A 53 13.926 11.820 3.667 1.00 1.00 H new ATOM 0 HB2 GLN A 53 13.078 10.827 1.284 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.429 12.530 1.499 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.707 10.673 0.727 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.557 11.139 -0.511 1.00 1.00 H new ATOM 0 HE21 GLN A 53 13.957 13.807 0.158 1.00 1.00 H new ATOM 0 HE22 GLN A 53 15.434 14.772 0.071 1.00 1.00 H new ATOM 808 N GLU A 54 13.034 9.334 3.371 1.00 1.00 N ATOM 809 CA GLU A 54 12.724 7.942 3.675 1.00 1.00 C ATOM 810 C GLU A 54 11.338 7.590 3.135 1.00 1.00 C ATOM 811 O GLU A 54 10.495 8.466 2.942 1.00 1.00 O ATOM 812 CB GLU A 54 12.789 7.695 5.193 1.00 1.00 C ATOM 813 CG GLU A 54 12.289 8.927 5.955 1.00 1.00 C ATOM 814 CD GLU A 54 13.342 10.030 5.929 1.00 1.00 C ATOM 815 OE1 GLU A 54 14.516 9.702 5.918 1.00 1.00 O ATOM 816 OE2 GLU A 54 12.957 11.188 5.918 1.00 1.00 O ATOM 0 H GLU A 54 12.216 9.935 3.268 1.00 1.00 H new ATOM 0 HA GLU A 54 13.464 7.302 3.194 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.183 6.827 5.453 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.814 7.468 5.488 1.00 1.00 H new ATOM 0 HG2 GLU A 54 11.363 9.288 5.508 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.061 8.657 6.986 1.00 1.00 H new ATOM 823 N HIS A 55 11.117 6.300 2.878 1.00 1.00 N ATOM 824 CA HIS A 55 9.836 5.829 2.342 1.00 1.00 C ATOM 825 C HIS A 55 9.309 4.649 3.152 1.00 1.00 C ATOM 826 O HIS A 55 10.078 3.917 3.774 1.00 1.00 O ATOM 827 CB HIS A 55 10.017 5.374 0.895 1.00 1.00 C ATOM 828 CG HIS A 55 10.551 6.504 0.058 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.896 6.843 0.040 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.936 7.371 -0.810 1.00 1.00 C ATOM 831 CE1 HIS A 55 12.044 7.871 -0.813 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.880 8.234 -1.359 1.00 1.00 N ATOM 0 H HIS A 55 11.806 5.563 3.031 1.00 1.00 H new ATOM 0 HA HIS A 55 9.125 6.654 2.398 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.702 4.527 0.855 1.00 1.00 H new ATOM 0 HB3 HIS A 55 9.064 5.032 0.492 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.879 7.382 -1.033 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.989 8.346 -1.031 1.00 1.00 H new ATOM 0 HE2 HIS A 55 10.718 8.982 -2.033 1.00 1.00 H new ATOM 840 N ALA A 56 7.992 4.467 3.129 1.00 1.00 N ATOM 841 CA ALA A 56 7.354 3.370 3.847 1.00 1.00 C ATOM 842 C ALA A 56 6.003 3.059 3.201 1.00 1.00 C ATOM 843 O ALA A 56 5.360 3.948 2.652 1.00 1.00 O ATOM 844 CB ALA A 56 7.161 3.752 5.317 1.00 1.00 C ATOM 0 H ALA A 56 7.344 5.068 2.619 1.00 1.00 H new ATOM 0 HA ALA A 56 7.988 2.485 3.797 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.684 2.928 5.847 1.00 1.00 H new ATOM 0 HB2 ALA A 56 8.131 3.961 5.769 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.531 4.639 5.383 1.00 1.00 H new ATOM 850 N LEU A 57 5.571 1.798 3.262 1.00 1.00 N ATOM 851 CA LEU A 57 4.291 1.408 2.662 1.00 1.00 C ATOM 852 C LEU A 57 3.208 1.367 3.729 1.00 1.00 C ATOM 853 O LEU A 57 3.138 0.437 4.533 1.00 1.00 O ATOM 854 CB LEU A 57 4.433 0.039 1.992 1.00 1.00 C ATOM 855 CG LEU A 57 3.152 -0.330 1.227 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.899 0.670 0.081 1.00 1.00 C ATOM 857 CD2 LEU A 57 3.312 -1.743 0.649 1.00 1.00 C ATOM 0 H LEU A 57 6.079 1.038 3.714 1.00 1.00 H new ATOM 0 HA LEU A 57 4.007 2.142 1.908 1.00 1.00 H new ATOM 0 HB2 LEU A 57 5.281 0.051 1.307 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.643 -0.720 2.746 1.00 1.00 H new ATOM 0 HG LEU A 57 2.303 -0.295 1.910 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.988 0.393 -0.449 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.789 1.674 0.492 1.00 1.00 H new ATOM 0 HD13 LEU A 57 3.741 0.652 -0.611 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.409 -2.017 0.103 1.00 1.00 H new ATOM 0 HD22 LEU A 57 4.166 -1.765 -0.028 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.475 -2.452 1.461 1.00 1.00 H new ATOM 869 N PHE A 58 2.385 2.404 3.739 1.00 1.00 N ATOM 870 CA PHE A 58 1.318 2.528 4.715 1.00 1.00 C ATOM 871 C PHE A 58 0.131 1.646 4.350 1.00 1.00 C ATOM 872 O PHE A 58 -0.205 1.486 3.175 1.00 1.00 O ATOM 873 CB PHE A 58 0.885 4.004 4.804 1.00 1.00 C ATOM 874 CG PHE A 58 1.808 4.781 5.735 1.00 1.00 C ATOM 875 CD1 PHE A 58 3.156 4.408 5.903 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.302 5.878 6.443 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.979 5.129 6.774 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.130 6.598 7.311 1.00 1.00 C ATOM 879 CZ PHE A 58 3.467 6.222 7.478 1.00 1.00 C ATOM 0 H PHE A 58 2.438 3.177 3.076 1.00 1.00 H new ATOM 0 HA PHE A 58 1.687 2.195 5.685 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.900 4.453 3.811 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.141 4.066 5.166 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.554 3.564 5.359 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.269 6.169 6.319 1.00 1.00 H new ATOM 0 HE1 PHE A 58 5.012 4.841 6.903 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.736 7.445 7.853 1.00 1.00 H new ATOM 0 HZ PHE A 58 4.104 6.777 8.151 1.00 1.00 H new ATOM 889 N LEU A 59 -0.518 1.102 5.378 1.00 1.00 N ATOM 890 CA LEU A 59 -1.695 0.258 5.185 1.00 1.00 C ATOM 891 C LEU A 59 -2.896 0.945 5.810 1.00 1.00 C ATOM 892 O LEU A 59 -2.883 1.304 6.988 1.00 1.00 O ATOM 893 CB LEU A 59 -1.499 -1.119 5.832 1.00 1.00 C ATOM 894 CG LEU A 59 -2.565 -2.108 5.301 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.089 -2.748 3.990 1.00 1.00 C ATOM 896 CD2 LEU A 59 -2.803 -3.218 6.331 1.00 1.00 C ATOM 0 H LEU A 59 -0.248 1.231 6.353 1.00 1.00 H new ATOM 0 HA LEU A 59 -1.852 0.111 4.116 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -0.500 -1.495 5.612 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.576 -1.035 6.916 1.00 1.00 H new ATOM 0 HG LEU A 59 -3.489 -1.558 5.125 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -2.848 -3.441 3.627 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -1.922 -1.970 3.245 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -1.158 -3.288 4.165 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -3.554 -3.911 5.952 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -1.871 -3.755 6.509 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -3.153 -2.779 7.265 1.00 1.00 H new ATOM 908 N TYR A 60 -3.924 1.136 5.004 1.00 1.00 N ATOM 909 CA TYR A 60 -5.146 1.793 5.450 1.00 1.00 C ATOM 910 C TYR A 60 -6.318 0.828 5.354 1.00 1.00 C ATOM 911 O TYR A 60 -6.534 0.220 4.306 1.00 1.00 O ATOM 912 CB TYR A 60 -5.415 2.987 4.537 1.00 1.00 C ATOM 913 CG TYR A 60 -4.423 4.097 4.792 1.00 1.00 C ATOM 914 CD1 TYR A 60 -4.692 5.061 5.769 1.00 1.00 C ATOM 915 CD2 TYR A 60 -3.249 4.175 4.035 1.00 1.00 C ATOM 916 CE1 TYR A 60 -3.785 6.103 5.992 1.00 1.00 C ATOM 917 CE2 TYR A 60 -2.341 5.216 4.260 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.610 6.181 5.236 1.00 1.00 C ATOM 919 OH TYR A 60 -1.717 7.207 5.455 1.00 1.00 O ATOM 0 H TYR A 60 -3.939 0.843 4.027 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.030 2.117 6.484 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.355 2.673 3.495 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.428 3.355 4.702 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -5.600 5.001 6.351 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -3.044 3.433 3.278 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -3.992 6.847 6.747 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -1.432 5.274 3.680 1.00 1.00 H new ATOM 0 HH TYR A 60 -0.954 7.112 4.847 1.00 1.00 H new ATOM 929 N THR A 61 -7.100 0.696 6.428 1.00 1.00 N ATOM 930 CA THR A 61 -8.259 -0.196 6.381 1.00 1.00 C ATOM 931 C THR A 61 -9.441 0.570 5.833 1.00 1.00 C ATOM 932 O THR A 61 -9.422 1.790 5.775 1.00 1.00 O ATOM 933 CB THR A 61 -8.611 -0.755 7.763 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.674 -1.690 7.628 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.050 0.373 8.698 1.00 1.00 C ATOM 0 H THR A 61 -6.959 1.179 7.315 1.00 1.00 H new ATOM 0 HA THR A 61 -8.012 -1.041 5.738 1.00 1.00 H new ATOM 0 HB THR A 61 -7.731 -1.241 8.185 1.00 1.00 H new ATOM 0 HG1 THR A 61 -9.904 -2.053 8.509 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.297 -0.040 9.676 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.240 1.095 8.803 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.927 0.870 8.282 1.00 1.00 H new ATOM 943 N HIS A 62 -10.478 -0.137 5.455 1.00 1.00 N ATOM 944 CA HIS A 62 -11.660 0.525 4.942 1.00 1.00 C ATOM 945 C HIS A 62 -12.798 -0.475 4.797 1.00 1.00 C ATOM 946 O HIS A 62 -12.575 -1.651 4.514 1.00 1.00 O ATOM 947 CB HIS A 62 -11.345 1.218 3.596 1.00 1.00 C ATOM 948 CG HIS A 62 -11.530 0.262 2.448 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.706 0.209 1.719 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.707 -0.686 1.900 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.561 -0.744 0.785 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.359 -1.322 0.850 1.00 1.00 N ATOM 0 H HIS A 62 -10.532 -1.155 5.490 1.00 1.00 H new ATOM 0 HA HIS A 62 -11.974 1.294 5.648 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -11.997 2.082 3.465 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.321 1.590 3.604 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.532 0.789 1.865 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.704 -0.906 2.233 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.324 -1.011 0.068 1.00 1.00 H new ATOM 960 N ARG A 63 -14.012 0.007 4.983 1.00 1.00 N ATOM 961 CA ARG A 63 -15.182 -0.845 4.865 1.00 1.00 C ATOM 962 C ARG A 63 -15.331 -1.307 3.428 1.00 1.00 C ATOM 963 O ARG A 63 -14.383 -1.269 2.646 1.00 1.00 O ATOM 964 CB ARG A 63 -16.449 -0.089 5.276 1.00 1.00 C ATOM 965 CG ARG A 63 -16.189 0.666 6.571 1.00 1.00 C ATOM 966 CD ARG A 63 -17.473 1.355 7.039 1.00 1.00 C ATOM 967 NE ARG A 63 -18.471 0.359 7.427 1.00 1.00 N ATOM 968 CZ ARG A 63 -18.483 -0.176 8.648 1.00 1.00 C ATOM 969 NH1 ARG A 63 -17.582 0.173 9.526 1.00 1.00 N ATOM 970 NH2 ARG A 63 -19.397 -1.053 8.965 1.00 1.00 N ATOM 0 H ARG A 63 -14.214 0.979 5.215 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.050 -1.702 5.525 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.742 0.606 4.489 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.275 -0.787 5.409 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -15.835 -0.022 7.338 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.403 1.406 6.419 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.256 2.010 7.883 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.868 1.984 6.241 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.174 0.067 6.748 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -16.867 0.857 9.278 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -17.594 -0.238 10.460 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -20.100 -1.328 8.279 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -19.408 -1.464 9.899 1.00 1.00 H new ATOM 984 N ARG A 64 -16.530 -1.741 3.093 1.00 1.00 N ATOM 985 CA ARG A 64 -16.811 -2.206 1.751 1.00 1.00 C ATOM 986 C ARG A 64 -16.740 -1.050 0.756 1.00 1.00 C ATOM 987 O ARG A 64 -16.254 -1.226 -0.361 1.00 1.00 O ATOM 988 CB ARG A 64 -18.199 -2.847 1.701 1.00 1.00 C ATOM 989 CG ARG A 64 -18.451 -3.445 0.314 1.00 1.00 C ATOM 990 CD ARG A 64 -19.851 -4.059 0.275 1.00 1.00 C ATOM 991 NE ARG A 64 -20.054 -4.781 -0.975 1.00 1.00 N ATOM 992 CZ ARG A 64 -21.207 -5.386 -1.241 1.00 1.00 C ATOM 993 NH1 ARG A 64 -22.178 -5.347 -0.370 1.00 1.00 N ATOM 994 NH2 ARG A 64 -21.366 -6.019 -2.369 1.00 1.00 N ATOM 0 H ARG A 64 -17.324 -1.781 3.732 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.061 -2.948 1.478 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -18.277 -3.625 2.461 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -18.961 -2.102 1.928 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -18.359 -2.673 -0.450 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -17.702 -4.205 0.091 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -19.982 -4.736 1.119 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.602 -3.275 0.376 1.00 1.00 H new ATOM 0 HE ARG A 64 -19.297 -4.823 -1.658 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -22.051 -4.853 0.513 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -23.064 -5.811 -0.572 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -20.605 -6.050 -3.048 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -22.251 -6.483 -2.573 1.00 1.00 H new ATOM 1008 N MET A 65 -17.251 0.131 1.139 1.00 1.00 N ATOM 1009 CA MET A 65 -17.255 1.285 0.229 1.00 1.00 C ATOM 1010 C MET A 65 -16.820 2.561 0.960 1.00 1.00 C ATOM 1011 O MET A 65 -17.149 3.670 0.537 1.00 1.00 O ATOM 1012 CB MET A 65 -18.674 1.485 -0.312 1.00 1.00 C ATOM 1013 CG MET A 65 -19.258 0.139 -0.749 1.00 1.00 C ATOM 1014 SD MET A 65 -20.942 0.394 -1.365 1.00 1.00 S ATOM 1015 CE MET A 65 -21.703 0.889 0.206 1.00 1.00 C ATOM 0 H MET A 65 -17.660 0.310 2.056 1.00 1.00 H new ATOM 0 HA MET A 65 -16.555 1.091 -0.584 1.00 1.00 H new ATOM 0 HB2 MET A 65 -19.305 1.934 0.455 1.00 1.00 H new ATOM 0 HB3 MET A 65 -18.657 2.175 -1.155 1.00 1.00 H new ATOM 0 HG2 MET A 65 -18.637 -0.306 -1.526 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.266 -0.557 0.090 1.00 1.00 H new ATOM 0 HE1 MET A 65 -22.764 0.638 0.191 1.00 1.00 H new ATOM 0 HE2 MET A 65 -21.217 0.363 1.027 1.00 1.00 H new ATOM 0 HE3 MET A 65 -21.586 1.964 0.344 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.081 2.392 2.051 1.00 1.00 N ATOM 1026 CA ALA A 66 -15.601 3.530 2.836 1.00 1.00 C ATOM 1027 C ALA A 66 -14.334 4.108 2.215 1.00 1.00 C ATOM 1028 O ALA A 66 -13.483 4.669 2.904 1.00 1.00 O ATOM 1029 CB ALA A 66 -15.315 3.089 4.265 1.00 1.00 C ATOM 0 H ALA A 66 -15.800 1.481 2.414 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.373 4.299 2.842 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -14.958 3.941 4.844 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -16.228 2.701 4.716 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -14.553 2.309 4.260 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.225 3.945 0.909 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.074 4.424 0.154 1.00 1.00 C ATOM 1037 C ILE A 67 -12.945 5.951 0.231 1.00 1.00 C ATOM 1038 O ILE A 67 -11.843 6.491 0.329 1.00 1.00 O ATOM 1039 CB ILE A 67 -13.251 4.005 -1.312 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -13.161 2.479 -1.426 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -12.164 4.652 -2.174 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -13.614 2.044 -2.823 1.00 1.00 C ATOM 0 H ILE A 67 -14.930 3.477 0.339 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.169 3.990 0.580 1.00 1.00 H new ATOM 0 HB ILE A 67 -14.228 4.336 -1.663 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -12.138 2.150 -1.245 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -13.786 2.009 -0.667 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -12.296 4.350 -3.213 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -12.238 5.737 -2.099 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -11.183 4.330 -1.824 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -13.550 0.959 -2.905 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -14.644 2.360 -2.986 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -12.970 2.503 -3.574 1.00 1.00 H new ATOM 1054 N THR A 68 -14.083 6.619 0.126 1.00 1.00 N ATOM 1055 CA THR A 68 -14.149 8.081 0.117 1.00 1.00 C ATOM 1056 C THR A 68 -13.014 8.750 0.896 1.00 1.00 C ATOM 1057 O THR A 68 -12.582 9.842 0.527 1.00 1.00 O ATOM 1058 CB THR A 68 -15.495 8.543 0.672 1.00 1.00 C ATOM 1059 OG1 THR A 68 -16.534 8.034 -0.154 1.00 1.00 O ATOM 1060 CG2 THR A 68 -15.551 10.073 0.679 1.00 1.00 C ATOM 0 H THR A 68 -14.993 6.165 0.044 1.00 1.00 H new ATOM 0 HA THR A 68 -14.037 8.388 -0.923 1.00 1.00 H new ATOM 0 HB THR A 68 -15.618 8.176 1.691 1.00 1.00 H new ATOM 0 HG1 THR A 68 -17.402 8.324 0.196 1.00 1.00 H new ATOM 0 HG21 THR A 68 -16.512 10.400 1.075 1.00 1.00 H new ATOM 0 HG22 THR A 68 -14.749 10.464 1.305 1.00 1.00 H new ATOM 0 HG23 THR A 68 -15.432 10.446 -0.338 1.00 1.00 H new ATOM 1068 N GLY A 69 -12.550 8.138 1.983 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.489 8.743 2.799 1.00 1.00 C ATOM 1070 C GLY A 69 -12.084 9.192 4.118 1.00 1.00 C ATOM 1071 O GLY A 69 -11.375 9.521 5.071 1.00 1.00 O ATOM 0 H GLY A 69 -12.884 7.235 2.320 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -10.689 8.023 2.971 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.048 9.591 2.276 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.408 9.216 4.140 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.157 9.634 5.314 1.00 1.00 C ATOM 1077 C ASP A 70 -13.929 8.726 6.513 1.00 1.00 C ATOM 1078 O ASP A 70 -13.745 9.211 7.630 1.00 1.00 O ATOM 1079 CB ASP A 70 -15.653 9.611 5.014 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.067 8.251 4.438 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.191 7.437 4.182 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.255 8.044 4.270 1.00 1.00 O ATOM 0 H ASP A 70 -13.991 8.947 3.347 1.00 1.00 H new ATOM 0 HA ASP A 70 -13.805 10.637 5.555 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.215 9.812 5.926 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -15.900 10.402 4.306 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.027 7.410 6.296 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.910 6.446 7.400 1.00 1.00 C ATOM 1089 C ASP A 71 -12.770 5.432 7.201 1.00 1.00 C ATOM 1090 O ASP A 71 -12.979 4.222 7.303 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.256 5.682 7.528 1.00 1.00 C ATOM 1092 CG ASP A 71 -15.211 4.685 8.659 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -15.005 5.080 9.773 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -15.461 3.536 8.402 1.00 1.00 O ATOM 0 H ASP A 71 -14.185 6.990 5.380 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.677 7.008 8.305 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -16.066 6.392 7.697 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.475 5.166 6.593 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.559 5.937 6.940 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.376 5.083 6.755 1.00 1.00 C ATOM 1101 C VAL A 72 -9.106 5.799 7.223 1.00 1.00 C ATOM 1102 O VAL A 72 -8.834 6.927 6.807 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.246 4.684 5.276 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -10.571 5.902 4.411 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -8.811 4.193 4.956 1.00 1.00 C ATOM 0 H VAL A 72 -11.370 6.935 6.852 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.501 4.185 7.359 1.00 1.00 H new ATOM 0 HB VAL A 72 -10.939 3.869 5.067 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -10.483 5.634 3.358 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.589 6.234 4.617 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -9.873 6.708 4.640 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -8.747 3.917 3.903 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -8.098 4.990 5.166 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.577 3.326 5.573 1.00 1.00 H new ATOM 1115 N SER A 73 -8.325 5.146 8.085 1.00 1.00 N ATOM 1116 CA SER A 73 -7.091 5.735 8.590 1.00 1.00 C ATOM 1117 C SER A 73 -6.093 4.611 8.875 1.00 1.00 C ATOM 1118 O SER A 73 -6.433 3.434 8.757 1.00 1.00 O ATOM 1119 CB SER A 73 -7.388 6.516 9.867 1.00 1.00 C ATOM 1120 OG SER A 73 -6.202 7.149 10.325 1.00 1.00 O ATOM 0 H SER A 73 -8.527 4.213 8.445 1.00 1.00 H new ATOM 0 HA SER A 73 -6.668 6.418 7.853 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.160 7.261 9.678 1.00 1.00 H new ATOM 0 HB3 SER A 73 -7.774 5.845 10.634 1.00 1.00 H new ATOM 0 HG SER A 73 -6.395 7.651 11.144 1.00 1.00 H new ATOM 1126 N LEU A 74 -4.852 4.968 9.169 1.00 1.00 N ATOM 1127 CA LEU A 74 -3.808 3.963 9.373 1.00 1.00 C ATOM 1128 C LEU A 74 -4.292 2.754 10.168 1.00 1.00 C ATOM 1129 O LEU A 74 -4.881 2.876 11.243 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.619 4.602 10.107 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.765 5.401 9.114 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.819 6.324 9.894 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -0.953 4.433 8.208 1.00 1.00 C ATOM 0 H LEU A 74 -4.541 5.934 9.272 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.513 3.607 8.386 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -2.979 5.257 10.901 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.014 3.829 10.581 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.412 6.004 8.477 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.209 6.895 9.194 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.403 7.009 10.508 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.172 5.725 10.534 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.350 5.010 7.507 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.300 3.817 8.827 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -1.639 3.792 7.654 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.012 1.574 9.595 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.379 0.292 10.194 1.00 1.00 C ATOM 1147 C ASP A 75 -3.138 -0.555 10.467 1.00 1.00 C ATOM 1148 O ASP A 75 -3.157 -1.415 11.349 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.303 -0.479 9.255 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.824 -1.731 9.954 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -5.812 -1.752 11.173 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -6.218 -2.656 9.261 1.00 1.00 O ATOM 0 H ASP A 75 -3.525 1.487 8.703 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.889 0.495 11.136 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.138 0.153 8.952 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -4.766 -0.755 8.348 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.050 -0.304 9.733 1.00 1.00 N ATOM 1158 CA GLN A 76 -0.813 -1.054 9.946 1.00 1.00 C ATOM 1159 C GLN A 76 0.375 -0.273 9.369 1.00 1.00 C ATOM 1160 O GLN A 76 0.230 0.886 8.975 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.897 -2.461 9.309 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.159 -3.486 10.191 1.00 1.00 C ATOM 1163 CD GLN A 76 0.034 -4.797 9.435 1.00 1.00 C ATOM 1164 OE1 GLN A 76 -0.937 -5.404 8.985 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.242 -5.265 9.260 1.00 1.00 N ATOM 0 H GLN A 76 -2.001 0.401 8.998 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.668 -1.183 11.019 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.940 -2.754 9.192 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.457 -2.444 8.312 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.809 -3.086 10.491 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.727 -3.665 11.104 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.044 -4.759 9.635 1.00 1.00 H new ATOM 0 HE22 GLN A 76 1.382 -6.136 8.749 1.00 1.00 H new ATOM 1174 N ILE A 77 1.536 -0.926 9.302 1.00 1.00 N ATOM 1175 CA ILE A 77 2.757 -0.319 8.765 1.00 1.00 C ATOM 1176 C ILE A 77 3.647 -1.398 8.144 1.00 1.00 C ATOM 1177 O ILE A 77 3.863 -2.455 8.735 1.00 1.00 O ATOM 1178 CB ILE A 77 3.533 0.427 9.880 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.773 1.713 10.278 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.961 0.779 9.397 1.00 1.00 C ATOM 1181 CD1 ILE A 77 3.455 2.379 11.478 1.00 1.00 C ATOM 0 H ILE A 77 1.658 -1.888 9.617 1.00 1.00 H new ATOM 0 HA ILE A 77 2.476 0.401 7.997 1.00 1.00 H new ATOM 0 HB ILE A 77 3.612 -0.223 10.751 1.00 1.00 H new ATOM 0 HG12 ILE A 77 2.746 2.404 9.436 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.739 1.472 10.525 1.00 1.00 H new ATOM 0 HG21 ILE A 77 5.495 1.303 10.190 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.495 -0.137 9.143 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.900 1.419 8.517 1.00 1.00 H new ATOM 0 HD11 ILE A 77 2.911 3.284 11.750 1.00 1.00 H new ATOM 0 HD12 ILE A 77 3.459 1.690 12.323 1.00 1.00 H new ATOM 0 HD13 ILE A 77 4.481 2.637 11.216 1.00 1.00 H new ATOM 1193 N VAL A 78 4.171 -1.113 6.954 1.00 1.00 N ATOM 1194 CA VAL A 78 5.054 -2.046 6.248 1.00 1.00 C ATOM 1195 C VAL A 78 6.235 -1.271 5.649 1.00 1.00 C ATOM 1196 O VAL A 78 6.124 -0.729 4.550 1.00 1.00 O ATOM 1197 CB VAL A 78 4.277 -2.743 5.127 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.233 -3.605 4.299 1.00 1.00 C ATOM 1199 CG2 VAL A 78 3.194 -3.634 5.736 1.00 1.00 C ATOM 0 H VAL A 78 4.000 -0.240 6.455 1.00 1.00 H new ATOM 0 HA VAL A 78 5.425 -2.795 6.947 1.00 1.00 H new ATOM 0 HB VAL A 78 3.816 -1.991 4.486 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.679 -4.100 3.502 1.00 1.00 H new ATOM 0 HG12 VAL A 78 6.008 -2.974 3.864 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.694 -4.356 4.941 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.641 -4.130 4.939 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.658 -4.384 6.377 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.511 -3.024 6.327 1.00 1.00 H new ATOM 1209 N PRO A 79 7.348 -1.175 6.346 1.00 1.00 N ATOM 1210 CA PRO A 79 8.530 -0.413 5.851 1.00 1.00 C ATOM 1211 C PRO A 79 9.385 -1.213 4.880 1.00 1.00 C ATOM 1212 O PRO A 79 9.792 -2.337 5.176 1.00 1.00 O ATOM 1213 CB PRO A 79 9.304 -0.097 7.134 1.00 1.00 C ATOM 1214 CG PRO A 79 8.996 -1.232 8.067 1.00 1.00 C ATOM 1215 CD PRO A 79 7.614 -1.780 7.665 1.00 1.00 C ATOM 0 HA PRO A 79 8.238 0.471 5.285 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.374 -0.025 6.941 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.992 0.857 7.558 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.756 -2.010 7.993 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.990 -0.890 9.102 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.619 -2.869 7.609 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.850 -1.502 8.391 1.00 1.00 H new ATOM 1223 N LEU A 80 9.641 -0.634 3.714 1.00 1.00 N ATOM 1224 CA LEU A 80 10.433 -1.304 2.701 1.00 1.00 C ATOM 1225 C LEU A 80 11.804 -1.697 3.238 1.00 1.00 C ATOM 1226 O LEU A 80 12.564 -0.868 3.737 1.00 1.00 O ATOM 1227 CB LEU A 80 10.599 -0.377 1.498 1.00 1.00 C ATOM 1228 CG LEU A 80 9.247 -0.192 0.795 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.363 0.946 -0.222 1.00 1.00 C ATOM 1230 CD2 LEU A 80 8.823 -1.493 0.078 1.00 1.00 C ATOM 0 H LEU A 80 9.311 0.295 3.451 1.00 1.00 H new ATOM 0 HA LEU A 80 9.914 -2.215 2.405 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.986 0.589 1.822 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.327 -0.795 0.803 1.00 1.00 H new ATOM 0 HG LEU A 80 8.489 0.051 1.540 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.406 1.083 -0.725 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.638 1.867 0.292 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.128 0.699 -0.958 1.00 1.00 H new ATOM 0 HD21 LEU A 80 7.862 -1.341 -0.414 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.574 -1.760 -0.666 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.734 -2.298 0.808 1.00 1.00 H new ATOM 1242 N SER A 81 12.093 -2.984 3.113 1.00 1.00 N ATOM 1243 CA SER A 81 13.363 -3.550 3.564 1.00 1.00 C ATOM 1244 C SER A 81 13.882 -4.556 2.546 1.00 1.00 C ATOM 1245 O SER A 81 13.167 -4.952 1.630 1.00 1.00 O ATOM 1246 CB SER A 81 13.183 -4.235 4.917 1.00 1.00 C ATOM 1247 OG SER A 81 12.903 -3.253 5.906 1.00 1.00 O ATOM 0 H SER A 81 11.458 -3.666 2.698 1.00 1.00 H new ATOM 0 HA SER A 81 14.086 -2.741 3.666 1.00 1.00 H new ATOM 0 HB2 SER A 81 12.370 -4.959 4.866 1.00 1.00 H new ATOM 0 HB3 SER A 81 14.085 -4.787 5.181 1.00 1.00 H new ATOM 0 HG SER A 81 12.006 -2.887 5.759 1.00 1.00 H new ATOM 1253 N LYS A 82 15.137 -4.949 2.689 1.00 1.00 N ATOM 1254 CA LYS A 82 15.725 -5.890 1.750 1.00 1.00 C ATOM 1255 C LYS A 82 14.914 -7.179 1.690 1.00 1.00 C ATOM 1256 O LYS A 82 14.660 -7.709 0.609 1.00 1.00 O ATOM 1257 CB LYS A 82 17.171 -6.196 2.151 1.00 1.00 C ATOM 1258 CG LYS A 82 17.782 -7.255 1.218 1.00 1.00 C ATOM 1259 CD LYS A 82 17.692 -6.792 -0.241 1.00 1.00 C ATOM 1260 CE LYS A 82 18.665 -7.599 -1.100 1.00 1.00 C ATOM 1261 NZ LYS A 82 18.513 -7.194 -2.525 1.00 1.00 N ATOM 0 H LYS A 82 15.760 -4.637 3.434 1.00 1.00 H new ATOM 0 HA LYS A 82 15.716 -5.436 0.759 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.765 -5.283 2.112 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.200 -6.551 3.181 1.00 1.00 H new ATOM 0 HG2 LYS A 82 18.823 -7.430 1.488 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.258 -8.203 1.339 1.00 1.00 H new ATOM 0 HD2 LYS A 82 16.674 -6.919 -0.611 1.00 1.00 H new ATOM 0 HD3 LYS A 82 17.926 -5.730 -0.310 1.00 1.00 H new ATOM 0 HE2 LYS A 82 19.689 -7.428 -0.768 1.00 1.00 H new ATOM 0 HE3 LYS A 82 18.468 -8.665 -0.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 19.173 -7.741 -3.114 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 17.538 -7.378 -2.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 18.721 -6.180 -2.622 1.00 1.00 H new ATOM 1275 N ASP A 83 14.515 -7.690 2.849 1.00 1.00 N ATOM 1276 CA ASP A 83 13.740 -8.922 2.897 1.00 1.00 C ATOM 1277 C ASP A 83 12.440 -8.769 2.111 1.00 1.00 C ATOM 1278 O ASP A 83 11.722 -9.741 1.880 1.00 1.00 O ATOM 1279 CB ASP A 83 13.436 -9.268 4.355 1.00 1.00 C ATOM 1280 CG ASP A 83 12.981 -10.718 4.473 1.00 1.00 C ATOM 1281 OD1 ASP A 83 12.558 -11.272 3.473 1.00 1.00 O ATOM 1282 OD2 ASP A 83 13.067 -11.256 5.566 1.00 1.00 O ATOM 0 H ASP A 83 14.713 -7.275 3.759 1.00 1.00 H new ATOM 0 HA ASP A 83 14.319 -9.727 2.444 1.00 1.00 H new ATOM 0 HB2 ASP A 83 14.324 -9.108 4.966 1.00 1.00 H new ATOM 0 HB3 ASP A 83 12.661 -8.605 4.739 1.00 1.00 H new ATOM 1287 N PHE A 84 12.158 -7.541 1.683 1.00 1.00 N ATOM 1288 CA PHE A 84 10.959 -7.264 0.903 1.00 1.00 C ATOM 1289 C PHE A 84 11.130 -7.839 -0.500 1.00 1.00 C ATOM 1290 O PHE A 84 12.209 -7.754 -1.089 1.00 1.00 O ATOM 1291 CB PHE A 84 10.722 -5.750 0.840 1.00 1.00 C ATOM 1292 CG PHE A 84 9.290 -5.442 0.448 1.00 1.00 C ATOM 1293 CD1 PHE A 84 8.847 -5.669 -0.861 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.407 -4.905 1.400 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.525 -5.364 -1.216 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.091 -4.597 1.043 1.00 1.00 C ATOM 1297 CZ PHE A 84 6.648 -4.827 -0.264 1.00 1.00 C ATOM 0 H PHE A 84 12.743 -6.725 1.864 1.00 1.00 H new ATOM 0 HA PHE A 84 10.094 -7.730 1.374 1.00 1.00 H new ATOM 0 HB2 PHE A 84 10.942 -5.303 1.809 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.405 -5.301 0.119 1.00 1.00 H new ATOM 0 HD1 PHE A 84 9.523 -6.079 -1.597 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.746 -4.730 2.410 1.00 1.00 H new ATOM 0 HE1 PHE A 84 7.182 -5.543 -2.224 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.416 -4.181 1.776 1.00 1.00 H new ATOM 0 HZ PHE A 84 5.631 -4.591 -0.539 1.00 1.00 H new ATOM 1307 N MET A 85 10.059 -8.404 -1.033 1.00 1.00 N ATOM 1308 CA MET A 85 10.089 -8.971 -2.376 1.00 1.00 C ATOM 1309 C MET A 85 8.674 -9.268 -2.854 1.00 1.00 C ATOM 1310 O MET A 85 7.827 -9.710 -2.079 1.00 1.00 O ATOM 1311 CB MET A 85 10.932 -10.252 -2.409 1.00 1.00 C ATOM 1312 CG MET A 85 11.006 -10.779 -3.848 1.00 1.00 C ATOM 1313 SD MET A 85 12.099 -12.223 -3.910 1.00 1.00 S ATOM 1314 CE MET A 85 11.975 -12.538 -5.689 1.00 1.00 C ATOM 0 H MET A 85 9.159 -8.483 -0.560 1.00 1.00 H new ATOM 0 HA MET A 85 10.545 -8.240 -3.044 1.00 1.00 H new ATOM 0 HB2 MET A 85 11.935 -10.050 -2.032 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.492 -11.006 -1.756 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.010 -11.049 -4.199 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.378 -10.000 -4.513 1.00 1.00 H new ATOM 0 HE1 MET A 85 12.585 -13.404 -5.949 1.00 1.00 H new ATOM 0 HE2 MET A 85 10.936 -12.734 -5.952 1.00 1.00 H new ATOM 0 HE3 MET A 85 12.330 -11.666 -6.238 1.00 1.00 H new ATOM 1324 N LEU A 86 8.426 -9.028 -4.137 1.00 1.00 N ATOM 1325 CA LEU A 86 7.110 -9.278 -4.729 1.00 1.00 C ATOM 1326 C LEU A 86 7.184 -10.537 -5.591 1.00 1.00 C ATOM 1327 O LEU A 86 8.123 -10.703 -6.369 1.00 1.00 O ATOM 1328 CB LEU A 86 6.667 -8.063 -5.582 1.00 1.00 C ATOM 1329 CG LEU A 86 7.887 -7.262 -6.071 1.00 1.00 C ATOM 1330 CD1 LEU A 86 8.737 -8.116 -7.029 1.00 1.00 C ATOM 1331 CD2 LEU A 86 7.393 -6.010 -6.806 1.00 1.00 C ATOM 0 H LEU A 86 9.118 -8.660 -4.790 1.00 1.00 H new ATOM 0 HA LEU A 86 6.374 -9.424 -3.938 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.086 -8.407 -6.438 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.016 -7.418 -4.993 1.00 1.00 H new ATOM 0 HG LEU A 86 8.501 -6.980 -5.216 1.00 1.00 H new ATOM 0 HD11 LEU A 86 9.596 -7.537 -7.367 1.00 1.00 H new ATOM 0 HD12 LEU A 86 9.083 -9.010 -6.510 1.00 1.00 H new ATOM 0 HD13 LEU A 86 8.134 -8.407 -7.889 1.00 1.00 H new ATOM 0 HD21 LEU A 86 8.248 -5.433 -7.158 1.00 1.00 H new ATOM 0 HD22 LEU A 86 6.780 -6.306 -7.657 1.00 1.00 H new ATOM 0 HD23 LEU A 86 6.799 -5.400 -6.126 1.00 1.00 H new ATOM 1343 N GLU A 87 6.206 -11.437 -5.443 1.00 1.00 N ATOM 1344 CA GLU A 87 6.199 -12.685 -6.214 1.00 1.00 C ATOM 1345 C GLU A 87 4.905 -12.836 -7.002 1.00 1.00 C ATOM 1346 O GLU A 87 3.808 -12.732 -6.454 1.00 1.00 O ATOM 1347 CB GLU A 87 6.339 -13.878 -5.268 1.00 1.00 C ATOM 1348 CG GLU A 87 7.715 -13.850 -4.604 1.00 1.00 C ATOM 1349 CD GLU A 87 7.836 -15.001 -3.613 1.00 1.00 C ATOM 1350 OE1 GLU A 87 6.916 -15.802 -3.551 1.00 1.00 O ATOM 1351 OE2 GLU A 87 8.846 -15.069 -2.934 1.00 1.00 O ATOM 0 H GLU A 87 5.418 -11.327 -4.805 1.00 1.00 H new ATOM 0 HA GLU A 87 7.037 -12.653 -6.911 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.557 -13.846 -4.509 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.210 -14.809 -5.820 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.495 -13.927 -5.361 1.00 1.00 H new ATOM 0 HG3 GLU A 87 7.861 -12.900 -4.091 1.00 1.00 H new ATOM 1358 N GLU A 88 5.052 -13.107 -8.290 1.00 1.00 N ATOM 1359 CA GLU A 88 3.897 -13.303 -9.153 1.00 1.00 C ATOM 1360 C GLU A 88 3.290 -14.676 -8.883 1.00 1.00 C ATOM 1361 O GLU A 88 4.013 -15.632 -8.600 1.00 1.00 O ATOM 1362 CB GLU A 88 4.308 -13.198 -10.624 1.00 1.00 C ATOM 1363 CG GLU A 88 4.724 -11.760 -10.938 1.00 1.00 C ATOM 1364 CD GLU A 88 5.205 -11.662 -12.381 1.00 1.00 C ATOM 1365 OE1 GLU A 88 5.193 -12.676 -13.059 1.00 1.00 O ATOM 1366 OE2 GLU A 88 5.579 -10.574 -12.788 1.00 1.00 O ATOM 0 H GLU A 88 5.954 -13.196 -8.759 1.00 1.00 H new ATOM 0 HA GLU A 88 3.159 -12.529 -8.941 1.00 1.00 H new ATOM 0 HB2 GLU A 88 5.133 -13.880 -10.831 1.00 1.00 H new ATOM 0 HB3 GLU A 88 3.479 -13.496 -11.266 1.00 1.00 H new ATOM 0 HG2 GLU A 88 3.882 -11.086 -10.780 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.517 -11.445 -10.259 1.00 1.00 H new ATOM 1373 N VAL A 89 1.969 -14.781 -8.986 1.00 1.00 N ATOM 1374 CA VAL A 89 1.304 -16.066 -8.759 1.00 1.00 C ATOM 1375 C VAL A 89 1.364 -16.926 -10.018 1.00 1.00 C ATOM 1376 O VAL A 89 1.247 -16.420 -11.134 1.00 1.00 O ATOM 1377 CB VAL A 89 -0.157 -15.863 -8.366 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.728 -17.172 -7.815 1.00 1.00 C ATOM 1379 CG2 VAL A 89 -0.256 -14.776 -7.294 1.00 1.00 C ATOM 0 H VAL A 89 1.345 -14.009 -9.221 1.00 1.00 H new ATOM 0 HA VAL A 89 1.826 -16.569 -7.945 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.725 -15.559 -9.245 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.771 -17.025 -7.535 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.663 -17.947 -8.579 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.157 -17.478 -6.938 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -1.300 -14.633 -7.016 1.00 1.00 H new ATOM 0 HG22 VAL A 89 0.316 -15.077 -6.416 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.146 -13.841 -7.685 1.00 1.00 H new ATOM 1389 N SER A 90 1.551 -18.229 -9.826 1.00 1.00 N ATOM 1390 CA SER A 90 1.631 -19.173 -10.945 1.00 1.00 C ATOM 1391 C SER A 90 0.645 -18.789 -12.059 1.00 1.00 C ATOM 1392 O SER A 90 -0.562 -18.970 -11.897 1.00 1.00 O ATOM 1393 CB SER A 90 1.294 -20.580 -10.453 1.00 1.00 C ATOM 1394 OG SER A 90 0.134 -20.528 -9.634 1.00 1.00 O ATOM 0 H SER A 90 1.650 -18.659 -8.906 1.00 1.00 H new ATOM 0 HA SER A 90 2.645 -19.143 -11.343 1.00 1.00 H new ATOM 0 HB2 SER A 90 1.124 -21.243 -11.301 1.00 1.00 H new ATOM 0 HB3 SER A 90 2.132 -20.991 -9.890 1.00 1.00 H new ATOM 0 HG SER A 90 -0.552 -19.983 -10.073 1.00 1.00 H new ATOM 1533 N SER A 100 -6.695 -7.167 -17.178 1.00 1.00 N ATOM 1534 CA SER A 100 -8.056 -7.095 -16.637 1.00 1.00 C ATOM 1535 C SER A 100 -8.006 -7.161 -15.111 1.00 1.00 C ATOM 1536 O SER A 100 -9.020 -7.000 -14.433 1.00 1.00 O ATOM 1537 CB SER A 100 -8.937 -8.229 -17.196 1.00 1.00 C ATOM 1538 OG SER A 100 -8.500 -8.559 -18.509 1.00 1.00 O ATOM 0 HA SER A 100 -8.501 -6.148 -16.942 1.00 1.00 H new ATOM 0 HB2 SER A 100 -8.877 -9.104 -16.549 1.00 1.00 H new ATOM 0 HB3 SER A 100 -9.982 -7.918 -17.215 1.00 1.00 H new ATOM 0 HG SER A 100 -7.558 -8.308 -18.613 1.00 1.00 H new ATOM 1544 N ASP A 101 -6.803 -7.374 -14.589 1.00 1.00 N ATOM 1545 CA ASP A 101 -6.581 -7.436 -13.150 1.00 1.00 C ATOM 1546 C ASP A 101 -5.078 -7.460 -12.878 1.00 1.00 C ATOM 1547 O ASP A 101 -4.285 -7.554 -13.810 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.250 -8.685 -12.558 1.00 1.00 C ATOM 1549 CG ASP A 101 -6.459 -9.941 -12.917 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -6.311 -10.207 -14.097 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -6.010 -10.615 -12.004 1.00 1.00 O ATOM 0 H ASP A 101 -5.960 -7.508 -15.147 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.023 -6.559 -12.677 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.317 -8.589 -11.474 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -8.269 -8.771 -12.934 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.686 -7.384 -11.608 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.263 -7.420 -11.249 1.00 1.00 C ATOM 1558 C VAL A 102 -3.046 -8.377 -10.096 1.00 1.00 C ATOM 1559 O VAL A 102 -3.494 -8.124 -8.981 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.775 -6.033 -10.849 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.270 -6.071 -10.549 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -3.058 -5.053 -11.988 1.00 1.00 C ATOM 0 H VAL A 102 -5.323 -7.298 -10.816 1.00 1.00 H new ATOM 0 HA VAL A 102 -2.699 -7.758 -12.118 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.300 -5.708 -9.951 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -0.931 -5.075 -10.264 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.079 -6.767 -9.732 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -0.730 -6.398 -11.438 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.711 -4.059 -11.707 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -2.535 -5.379 -12.887 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.130 -5.021 -12.183 1.00 1.00 H new ATOM 1572 N THR A 103 -2.351 -9.472 -10.363 1.00 1.00 N ATOM 1573 CA THR A 103 -2.084 -10.458 -9.319 1.00 1.00 C ATOM 1574 C THR A 103 -0.661 -10.300 -8.811 1.00 1.00 C ATOM 1575 O THR A 103 0.305 -10.555 -9.530 1.00 1.00 O ATOM 1576 CB THR A 103 -2.296 -11.879 -9.862 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.448 -11.893 -10.694 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.511 -12.853 -8.698 1.00 1.00 C ATOM 0 H THR A 103 -1.965 -9.702 -11.279 1.00 1.00 H new ATOM 0 HA THR A 103 -2.777 -10.294 -8.494 1.00 1.00 H new ATOM 0 HB THR A 103 -1.418 -12.182 -10.432 1.00 1.00 H new ATOM 0 HG1 THR A 103 -4.232 -11.625 -10.171 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.661 -13.859 -9.089 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.636 -12.843 -8.048 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.389 -12.551 -8.128 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.549 -9.869 -7.560 1.00 1.00 N ATOM 1587 CA VAL A 104 0.748 -9.662 -6.926 1.00 1.00 C ATOM 1588 C VAL A 104 0.727 -10.240 -5.511 1.00 1.00 C ATOM 1589 O VAL A 104 -0.248 -10.071 -4.780 1.00 1.00 O ATOM 1590 CB VAL A 104 1.068 -8.156 -6.884 1.00 1.00 C ATOM 1591 CG1 VAL A 104 0.256 -7.473 -5.778 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.563 -7.955 -6.614 1.00 1.00 C ATOM 0 H VAL A 104 -1.346 -9.655 -6.961 1.00 1.00 H new ATOM 0 HA VAL A 104 1.521 -10.171 -7.502 1.00 1.00 H new ATOM 0 HB VAL A 104 0.805 -7.713 -7.845 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.491 -6.409 -5.758 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.808 -7.606 -5.973 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.507 -7.918 -4.815 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.787 -6.889 -6.585 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.824 -8.407 -5.657 1.00 1.00 H new ATOM 0 HG23 VAL A 104 3.143 -8.426 -7.408 1.00 1.00 H new ATOM 1602 N GLN A 105 1.808 -10.915 -5.131 1.00 1.00 N ATOM 1603 CA GLN A 105 1.913 -11.514 -3.793 1.00 1.00 C ATOM 1604 C GLN A 105 3.135 -10.959 -3.066 1.00 1.00 C ATOM 1605 O GLN A 105 4.262 -11.161 -3.510 1.00 1.00 O ATOM 1606 CB GLN A 105 2.032 -13.040 -3.927 1.00 1.00 C ATOM 1607 CG GLN A 105 1.645 -13.716 -2.608 1.00 1.00 C ATOM 1608 CD GLN A 105 2.660 -13.364 -1.525 1.00 1.00 C ATOM 1609 OE1 GLN A 105 3.768 -13.893 -1.522 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.350 -12.492 -0.604 1.00 1.00 N ATOM 0 H GLN A 105 2.624 -11.064 -5.724 1.00 1.00 H new ATOM 0 HA GLN A 105 1.021 -11.269 -3.217 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.385 -13.394 -4.730 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.053 -13.311 -4.198 1.00 1.00 H new ATOM 0 HG2 GLN A 105 0.649 -13.394 -2.303 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.604 -14.797 -2.742 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.429 -12.053 -0.607 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.028 -12.250 0.118 1.00 1.00 H new ATOM 1619 N LEU A 106 2.916 -10.229 -1.968 1.00 1.00 N ATOM 1620 CA LEU A 106 4.026 -9.630 -1.225 1.00 1.00 C ATOM 1621 C LEU A 106 4.646 -10.628 -0.255 1.00 1.00 C ATOM 1622 O LEU A 106 3.996 -11.080 0.670 1.00 1.00 O ATOM 1623 CB LEU A 106 3.510 -8.437 -0.422 1.00 1.00 C ATOM 1624 CG LEU A 106 2.757 -7.474 -1.343 1.00 1.00 C ATOM 1625 CD1 LEU A 106 2.174 -6.330 -0.509 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.717 -6.907 -2.401 1.00 1.00 C ATOM 0 H LEU A 106 1.992 -10.041 -1.579 1.00 1.00 H new ATOM 0 HA LEU A 106 4.783 -9.319 -1.944 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.851 -8.782 0.375 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.343 -7.921 0.055 1.00 1.00 H new ATOM 0 HG LEU A 106 1.950 -8.008 -1.845 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.637 -5.641 -1.161 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.488 -6.735 0.235 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.982 -5.798 -0.006 1.00 1.00 H new ATOM 0 HD21 LEU A 106 3.176 -6.222 -3.054 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.528 -6.372 -1.907 1.00 1.00 H new ATOM 0 HD23 LEU A 106 4.129 -7.724 -2.994 1.00 1.00 H new ATOM 1638 N ASN A 107 5.906 -10.970 -0.496 1.00 1.00 N ATOM 1639 CA ASN A 107 6.612 -11.940 0.360 1.00 1.00 C ATOM 1640 C ASN A 107 7.668 -11.289 1.248 1.00 1.00 C ATOM 1641 O ASN A 107 8.857 -11.577 1.112 1.00 1.00 O ATOM 1642 CB ASN A 107 7.277 -13.009 -0.498 1.00 1.00 C ATOM 1643 CG ASN A 107 6.332 -13.437 -1.603 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.010 -14.618 -1.728 1.00 1.00 O ATOM 1645 ND2 ASN A 107 5.860 -12.538 -2.414 1.00 1.00 N ATOM 0 H ASN A 107 6.463 -10.600 -1.266 1.00 1.00 H new ATOM 0 HA ASN A 107 5.859 -12.384 1.011 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.202 -12.622 -0.926 1.00 1.00 H new ATOM 0 HB3 ASN A 107 7.546 -13.868 0.117 1.00 1.00 H new ATOM 0 HD21 ASN A 107 5.219 -12.810 -3.159 1.00 1.00 H new ATOM 0 HD22 ASN A 107 6.131 -11.561 -2.305 1.00 1.00 H new ATOM 1652 N THR A 108 7.242 -10.424 2.167 1.00 1.00 N ATOM 1653 CA THR A 108 8.189 -9.774 3.062 1.00 1.00 C ATOM 1654 C THR A 108 8.648 -10.749 4.141 1.00 1.00 C ATOM 1655 O THR A 108 8.218 -11.902 4.180 1.00 1.00 O ATOM 1656 CB THR A 108 7.570 -8.540 3.725 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.792 -8.949 4.840 1.00 1.00 O ATOM 1658 CG2 THR A 108 6.692 -7.789 2.720 1.00 1.00 C ATOM 0 H THR A 108 6.266 -10.163 2.308 1.00 1.00 H new ATOM 0 HA THR A 108 9.044 -9.456 2.465 1.00 1.00 H new ATOM 0 HB THR A 108 8.363 -7.872 4.061 1.00 1.00 H new ATOM 0 HG1 THR A 108 7.146 -8.536 5.655 1.00 1.00 H new ATOM 0 HG21 THR A 108 6.256 -6.913 3.201 1.00 1.00 H new ATOM 0 HG22 THR A 108 7.299 -7.473 1.872 1.00 1.00 H new ATOM 0 HG23 THR A 108 5.895 -8.446 2.371 1.00 1.00 H new ATOM 1666 N ALA A 109 9.547 -10.277 4.988 1.00 1.00 N ATOM 1667 CA ALA A 109 10.105 -11.107 6.051 1.00 1.00 C ATOM 1668 C ALA A 109 9.018 -11.877 6.791 1.00 1.00 C ATOM 1669 O ALA A 109 9.221 -13.028 7.176 1.00 1.00 O ATOM 1670 CB ALA A 109 10.871 -10.237 7.050 1.00 1.00 C ATOM 0 H ALA A 109 9.908 -9.324 4.963 1.00 1.00 H new ATOM 0 HA ALA A 109 10.781 -11.824 5.585 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.283 -10.866 7.839 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.682 -9.721 6.536 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.194 -9.503 7.487 1.00 1.00 H new ATOM 1676 N GLU A 110 7.863 -11.247 6.992 1.00 1.00 N ATOM 1677 CA GLU A 110 6.754 -11.898 7.693 1.00 1.00 C ATOM 1678 C GLU A 110 5.445 -11.677 6.949 1.00 1.00 C ATOM 1679 O GLU A 110 4.571 -12.544 6.943 1.00 1.00 O ATOM 1680 CB GLU A 110 6.637 -11.334 9.109 1.00 1.00 C ATOM 1681 CG GLU A 110 6.321 -9.838 9.043 1.00 1.00 C ATOM 1682 CD GLU A 110 6.343 -9.241 10.445 1.00 1.00 C ATOM 1683 OE1 GLU A 110 7.205 -9.626 11.217 1.00 1.00 O ATOM 1684 OE2 GLU A 110 5.499 -8.407 10.725 1.00 1.00 O ATOM 0 H GLU A 110 7.669 -10.294 6.683 1.00 1.00 H new ATOM 0 HA GLU A 110 6.954 -12.968 7.739 1.00 1.00 H new ATOM 0 HB2 GLU A 110 5.853 -11.858 9.656 1.00 1.00 H new ATOM 0 HB3 GLU A 110 7.567 -11.495 9.653 1.00 1.00 H new ATOM 0 HG2 GLU A 110 7.050 -9.331 8.411 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.343 -9.684 8.588 1.00 1.00 H new ATOM 1691 N LEU A 111 5.307 -10.509 6.332 1.00 1.00 N ATOM 1692 CA LEU A 111 4.091 -10.195 5.606 1.00 1.00 C ATOM 1693 C LEU A 111 3.996 -11.097 4.383 1.00 1.00 C ATOM 1694 O LEU A 111 4.908 -11.140 3.557 1.00 1.00 O ATOM 1695 CB LEU A 111 4.104 -8.707 5.194 1.00 1.00 C ATOM 1696 CG LEU A 111 2.675 -8.152 5.037 1.00 1.00 C ATOM 1697 CD1 LEU A 111 1.895 -8.993 4.019 1.00 1.00 C ATOM 1698 CD2 LEU A 111 1.944 -8.145 6.398 1.00 1.00 C ATOM 0 H LEU A 111 6.015 -9.775 6.322 1.00 1.00 H new ATOM 0 HA LEU A 111 3.220 -10.367 6.238 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.641 -8.126 5.943 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.645 -8.593 4.255 1.00 1.00 H new ATOM 0 HG LEU A 111 2.737 -7.126 4.675 1.00 1.00 H new ATOM 0 HD11 LEU A 111 0.886 -8.594 3.914 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.401 -8.958 3.054 1.00 1.00 H new ATOM 0 HD13 LEU A 111 1.843 -10.026 4.364 1.00 1.00 H new ATOM 0 HD21 LEU A 111 0.936 -7.750 6.268 1.00 1.00 H new ATOM 0 HD22 LEU A 111 1.888 -9.162 6.786 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.491 -7.518 7.102 1.00 1.00 H new ATOM 1710 N LYS A 112 2.882 -11.804 4.270 1.00 1.00 N ATOM 1711 CA LYS A 112 2.659 -12.695 3.141 1.00 1.00 C ATOM 1712 C LYS A 112 1.174 -12.774 2.854 1.00 1.00 C ATOM 1713 O LYS A 112 0.450 -13.529 3.499 1.00 1.00 O ATOM 1714 CB LYS A 112 3.211 -14.088 3.434 1.00 1.00 C ATOM 1715 CG LYS A 112 3.244 -14.894 2.134 1.00 1.00 C ATOM 1716 CD LYS A 112 3.900 -16.248 2.387 1.00 1.00 C ATOM 1717 CE LYS A 112 3.957 -17.034 1.077 1.00 1.00 C ATOM 1718 NZ LYS A 112 4.619 -18.345 1.319 1.00 1.00 N ATOM 0 H LYS A 112 2.118 -11.778 4.946 1.00 1.00 H new ATOM 0 HA LYS A 112 3.181 -12.300 2.269 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.213 -14.015 3.857 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.589 -14.592 4.174 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.231 -15.034 1.756 1.00 1.00 H new ATOM 0 HG3 LYS A 112 3.797 -14.348 1.370 1.00 1.00 H new ATOM 0 HD2 LYS A 112 4.905 -16.109 2.785 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.335 -16.805 3.134 1.00 1.00 H new ATOM 0 HE2 LYS A 112 2.951 -17.188 0.688 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.507 -16.469 0.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 4.660 -18.883 0.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 5.584 -18.187 1.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.076 -18.883 2.024 1.00 1.00 H new ATOM 1732 N LEU A 113 0.720 -11.974 1.893 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.707 -11.938 1.545 1.00 1.00 C ATOM 1734 C LEU A 113 -0.897 -11.879 0.024 1.00 1.00 C ATOM 1735 O LEU A 113 0.067 -11.783 -0.731 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.362 -10.697 2.212 1.00 1.00 C ATOM 1737 CG LEU A 113 -2.224 -11.081 3.446 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -3.314 -12.111 3.067 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -1.338 -11.637 4.589 1.00 1.00 C ATOM 0 H LEU A 113 1.308 -11.347 1.344 1.00 1.00 H new ATOM 0 HA LEU A 113 -1.184 -12.848 1.909 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.584 -9.998 2.518 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.985 -10.181 1.482 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.716 -10.174 3.798 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.901 -12.361 3.951 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.967 -11.686 2.305 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.842 -13.013 2.678 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.965 -11.898 5.441 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -0.810 -12.525 4.241 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -0.614 -10.879 4.890 1.00 1.00 H new ATOM 1751 N VAL A 114 -2.160 -11.924 -0.406 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.502 -11.872 -1.833 1.00 1.00 C ATOM 1753 C VAL A 114 -3.395 -10.671 -2.133 1.00 1.00 C ATOM 1754 O VAL A 114 -4.512 -10.574 -1.624 1.00 1.00 O ATOM 1755 CB VAL A 114 -3.254 -13.146 -2.227 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.543 -13.122 -3.728 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -2.402 -14.371 -1.889 1.00 1.00 C ATOM 0 H VAL A 114 -2.966 -11.997 0.214 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.576 -11.783 -2.402 1.00 1.00 H new ATOM 0 HB VAL A 114 -4.193 -13.198 -1.676 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -4.078 -14.029 -4.010 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.153 -12.251 -3.967 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.604 -13.069 -4.279 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.939 -15.277 -2.170 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -1.461 -14.322 -2.437 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -2.198 -14.388 -0.818 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.897 -9.757 -2.967 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.646 -8.558 -3.346 1.00 1.00 C ATOM 1769 C PHE A 115 -3.980 -8.567 -4.837 1.00 1.00 C ATOM 1770 O PHE A 115 -3.134 -8.874 -5.678 1.00 1.00 O ATOM 1771 CB PHE A 115 -2.831 -7.301 -3.020 1.00 1.00 C ATOM 1772 CG PHE A 115 -2.857 -7.042 -1.531 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -1.945 -7.690 -0.689 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -3.794 -6.151 -0.996 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -1.974 -7.446 0.690 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -3.821 -5.910 0.380 1.00 1.00 C ATOM 1777 CZ PHE A 115 -2.913 -6.557 1.224 1.00 1.00 C ATOM 0 H PHE A 115 -1.974 -9.825 -3.395 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.576 -8.552 -2.777 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -1.802 -7.426 -3.358 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.240 -6.443 -3.554 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.221 -8.377 -1.102 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -4.496 -5.650 -1.646 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -1.271 -7.944 1.341 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -4.545 -5.223 0.793 1.00 1.00 H new ATOM 0 HZ PHE A 115 -2.937 -6.371 2.288 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.228 -8.218 -5.148 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.705 -8.167 -6.532 1.00 1.00 C ATOM 1789 C GLN A 116 -6.095 -6.735 -6.905 1.00 1.00 C ATOM 1790 O GLN A 116 -7.222 -6.304 -6.665 1.00 1.00 O ATOM 1791 CB GLN A 116 -6.914 -9.100 -6.697 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.365 -9.126 -8.158 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.280 -9.742 -9.026 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -6.027 -10.945 -8.953 1.00 1.00 O ATOM 1795 NE2 GLN A 116 -5.599 -8.974 -9.822 1.00 1.00 N ATOM 0 H GLN A 116 -5.932 -7.964 -4.455 1.00 1.00 H new ATOM 0 HA GLN A 116 -4.905 -8.495 -7.195 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -6.653 -10.107 -6.371 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.733 -8.762 -6.062 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -8.287 -9.700 -8.252 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.583 -8.114 -8.498 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -5.814 -7.978 -9.878 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -4.849 -9.366 -10.392 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.148 -6.003 -7.494 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.384 -4.614 -7.903 1.00 1.00 C ATOM 1806 C LEU A 117 -5.890 -4.583 -9.358 1.00 1.00 C ATOM 1807 O LEU A 117 -5.622 -5.508 -10.123 1.00 1.00 O ATOM 1808 CB LEU A 117 -4.067 -3.820 -7.764 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.236 -4.376 -6.599 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.939 -3.575 -6.476 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.041 -4.263 -5.296 1.00 1.00 C ATOM 0 H LEU A 117 -4.210 -6.347 -7.699 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.142 -4.158 -7.266 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.496 -3.883 -8.690 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.285 -2.766 -7.595 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.999 -5.424 -6.785 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.346 -3.967 -5.650 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.370 -3.659 -7.402 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.175 -2.527 -6.288 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.451 -4.658 -4.469 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.279 -3.217 -5.105 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -4.965 -4.834 -5.388 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.629 -3.565 -9.756 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.179 -3.471 -11.149 1.00 1.00 C ATOM 1825 C PRO A 118 -6.106 -3.158 -12.202 1.00 1.00 C ATOM 1826 O PRO A 118 -5.239 -2.308 -11.997 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.212 -2.342 -11.046 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.698 -1.467 -9.954 1.00 1.00 C ATOM 1829 CD PRO A 118 -7.024 -2.401 -8.942 1.00 1.00 C ATOM 0 HA PRO A 118 -7.602 -4.418 -11.483 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.298 -1.796 -11.985 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.203 -2.730 -10.811 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.989 -0.736 -10.342 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.509 -0.908 -9.488 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.161 -1.928 -8.473 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.707 -2.685 -8.141 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.169 -3.889 -13.311 1.00 1.00 N ATOM 1838 CA PHE A 119 -5.215 -3.776 -14.418 1.00 1.00 C ATOM 1839 C PHE A 119 -4.707 -2.364 -14.660 1.00 1.00 C ATOM 1840 O PHE A 119 -5.470 -1.453 -14.980 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.886 -4.275 -15.697 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.895 -4.239 -16.833 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -3.857 -5.175 -16.879 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -5.011 -3.271 -17.838 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -2.934 -5.146 -17.929 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -4.088 -3.241 -18.889 1.00 1.00 C ATOM 1847 CZ PHE A 119 -3.048 -4.178 -18.935 1.00 1.00 C ATOM 0 H PHE A 119 -6.894 -4.588 -13.472 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.349 -4.378 -14.142 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -6.255 -5.291 -15.554 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.749 -3.653 -15.934 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -3.768 -5.921 -16.103 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.812 -2.548 -17.802 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -2.133 -5.870 -17.964 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -4.177 -2.495 -19.665 1.00 1.00 H new ATOM 0 HZ PHE A 119 -2.335 -4.154 -19.745 1.00 1.00 H new ATOM 1857 N GLY A 120 -3.388 -2.210 -14.530 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.734 -0.929 -14.758 1.00 1.00 C ATOM 1859 C GLY A 120 -3.584 0.227 -14.267 1.00 1.00 C ATOM 1860 O GLY A 120 -3.812 0.380 -13.068 1.00 1.00 O ATOM 0 H GLY A 120 -2.753 -2.963 -14.267 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.771 -0.916 -14.248 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.533 -0.807 -15.822 1.00 1.00 H new ATOM 1864 N SER A 121 -4.047 1.044 -15.203 1.00 1.00 N ATOM 1865 CA SER A 121 -4.865 2.191 -14.854 1.00 1.00 C ATOM 1866 C SER A 121 -4.202 2.967 -13.720 1.00 1.00 C ATOM 1867 O SER A 121 -3.159 3.593 -13.912 1.00 1.00 O ATOM 1868 CB SER A 121 -6.257 1.720 -14.426 1.00 1.00 C ATOM 1869 OG SER A 121 -7.008 1.364 -15.580 1.00 1.00 O ATOM 0 H SER A 121 -3.871 0.933 -16.202 1.00 1.00 H new ATOM 0 HA SER A 121 -4.963 2.844 -15.721 1.00 1.00 H new ATOM 0 HB2 SER A 121 -6.174 0.866 -13.754 1.00 1.00 H new ATOM 0 HB3 SER A 121 -6.767 2.510 -13.875 1.00 1.00 H new ATOM 0 HG SER A 121 -7.900 1.060 -15.309 1.00 1.00 H new ATOM 1875 N HIS A 122 -4.808 2.921 -12.539 1.00 1.00 N ATOM 1876 CA HIS A 122 -4.263 3.621 -11.382 1.00 1.00 C ATOM 1877 C HIS A 122 -3.252 2.742 -10.637 1.00 1.00 C ATOM 1878 O HIS A 122 -2.540 3.219 -9.755 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.409 4.017 -10.439 1.00 1.00 C ATOM 1880 CG HIS A 122 -4.969 5.137 -9.532 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -4.597 6.378 -10.023 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -4.846 5.221 -8.168 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -4.272 7.151 -8.970 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -4.406 6.494 -7.815 1.00 1.00 N ATOM 0 H HIS A 122 -5.672 2.410 -12.358 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.745 4.516 -11.727 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -6.277 4.329 -11.020 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.715 3.156 -9.845 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -5.058 4.421 -7.474 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -3.943 8.177 -9.049 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -4.225 6.849 -6.876 1.00 1.00 H new ATOM 1892 N THR A 123 -3.195 1.455 -10.994 1.00 1.00 N ATOM 1893 CA THR A 123 -2.267 0.527 -10.352 1.00 1.00 C ATOM 1894 C THR A 123 -0.840 0.706 -10.858 1.00 1.00 C ATOM 1895 O THR A 123 0.111 0.564 -10.097 1.00 1.00 O ATOM 1896 CB THR A 123 -2.696 -0.924 -10.592 1.00 1.00 C ATOM 1897 OG1 THR A 123 -4.091 -1.048 -10.351 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.926 -1.856 -9.642 1.00 1.00 C ATOM 0 H THR A 123 -3.778 1.037 -11.719 1.00 1.00 H new ATOM 0 HA THR A 123 -2.291 0.751 -9.285 1.00 1.00 H new ATOM 0 HB THR A 123 -2.477 -1.201 -11.623 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.459 -1.759 -10.916 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.234 -2.887 -9.815 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.856 -1.761 -9.827 1.00 1.00 H new ATOM 0 HG23 THR A 123 -2.142 -1.582 -8.609 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.690 0.983 -12.147 1.00 1.00 N ATOM 1907 CA ARG A 124 0.636 1.134 -12.735 1.00 1.00 C ATOM 1908 C ARG A 124 1.444 2.196 -12.005 1.00 1.00 C ATOM 1909 O ARG A 124 2.633 2.016 -11.744 1.00 1.00 O ATOM 1910 CB ARG A 124 0.496 1.518 -14.209 1.00 1.00 C ATOM 1911 CG ARG A 124 1.875 1.576 -14.862 1.00 1.00 C ATOM 1912 CD ARG A 124 1.731 2.042 -16.309 1.00 1.00 C ATOM 1913 NE ARG A 124 1.007 1.046 -17.089 1.00 1.00 N ATOM 1914 CZ ARG A 124 1.585 -0.095 -17.449 1.00 1.00 C ATOM 1915 NH1 ARG A 124 2.817 -0.343 -17.094 1.00 1.00 N ATOM 1916 NH2 ARG A 124 0.921 -0.968 -18.154 1.00 1.00 N ATOM 0 H ARG A 124 -1.463 1.107 -12.801 1.00 1.00 H new ATOM 0 HA ARG A 124 1.163 0.184 -12.645 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -0.131 0.791 -14.726 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.001 2.485 -14.297 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.522 2.259 -14.311 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.347 0.594 -14.830 1.00 1.00 H new ATOM 0 HD2 ARG A 124 1.202 2.994 -16.341 1.00 1.00 H new ATOM 0 HD3 ARG A 124 2.716 2.210 -16.744 1.00 1.00 H new ATOM 0 HE ARG A 124 0.041 1.228 -17.363 1.00 1.00 H new ATOM 0 HH11 ARG A 124 3.335 0.339 -16.540 1.00 1.00 H new ATOM 0 HH12 ARG A 124 3.261 -1.219 -17.370 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -0.042 -0.775 -18.429 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.365 -1.844 -18.430 1.00 1.00 H new ATOM 1930 N THR A 125 0.800 3.304 -11.690 1.00 1.00 N ATOM 1931 CA THR A 125 1.479 4.389 -11.006 1.00 1.00 C ATOM 1932 C THR A 125 2.091 3.877 -9.709 1.00 1.00 C ATOM 1933 O THR A 125 3.232 4.198 -9.380 1.00 1.00 O ATOM 1934 CB THR A 125 0.484 5.510 -10.699 1.00 1.00 C ATOM 1935 OG1 THR A 125 -0.032 6.028 -11.916 1.00 1.00 O ATOM 1936 CG2 THR A 125 1.190 6.621 -9.929 1.00 1.00 C ATOM 0 H THR A 125 -0.184 3.476 -11.895 1.00 1.00 H new ATOM 0 HA THR A 125 2.270 4.777 -11.648 1.00 1.00 H new ATOM 0 HB THR A 125 -0.334 5.116 -10.096 1.00 1.00 H new ATOM 0 HG1 THR A 125 -0.671 6.745 -11.721 1.00 1.00 H new ATOM 0 HG21 THR A 125 0.481 7.420 -9.710 1.00 1.00 H new ATOM 0 HG22 THR A 125 1.586 6.222 -8.995 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.008 7.017 -10.530 1.00 1.00 H new ATOM 1944 N PHE A 126 1.322 3.082 -8.976 1.00 1.00 N ATOM 1945 CA PHE A 126 1.803 2.537 -7.714 1.00 1.00 C ATOM 1946 C PHE A 126 3.096 1.746 -7.924 1.00 1.00 C ATOM 1947 O PHE A 126 4.067 1.940 -7.194 1.00 1.00 O ATOM 1948 CB PHE A 126 0.733 1.631 -7.093 1.00 1.00 C ATOM 1949 CG PHE A 126 1.297 0.929 -5.874 1.00 1.00 C ATOM 1950 CD1 PHE A 126 1.713 1.680 -4.772 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.400 -0.469 -5.848 1.00 1.00 C ATOM 1952 CE1 PHE A 126 2.235 1.038 -3.643 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.922 -1.110 -4.718 1.00 1.00 C ATOM 1954 CZ PHE A 126 2.340 -0.356 -3.616 1.00 1.00 C ATOM 0 H PHE A 126 0.374 2.803 -9.230 1.00 1.00 H new ATOM 0 HA PHE A 126 2.010 3.366 -7.037 1.00 1.00 H new ATOM 0 HB2 PHE A 126 -0.139 2.222 -6.812 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.397 0.896 -7.824 1.00 1.00 H new ATOM 0 HD1 PHE A 126 1.632 2.757 -4.791 1.00 1.00 H new ATOM 0 HD2 PHE A 126 1.077 -1.051 -6.699 1.00 1.00 H new ATOM 0 HE1 PHE A 126 2.557 1.620 -2.792 1.00 1.00 H new ATOM 0 HE2 PHE A 126 2.002 -2.187 -4.697 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.744 -0.851 -2.745 1.00 1.00 H new ATOM 1964 N LEU A 127 3.095 0.825 -8.884 1.00 1.00 N ATOM 1965 CA LEU A 127 4.270 -0.014 -9.114 1.00 1.00 C ATOM 1966 C LEU A 127 5.529 0.829 -9.239 1.00 1.00 C ATOM 1967 O LEU A 127 6.519 0.576 -8.554 1.00 1.00 O ATOM 1968 CB LEU A 127 4.113 -0.802 -10.419 1.00 1.00 C ATOM 1969 CG LEU A 127 2.766 -1.519 -10.453 1.00 1.00 C ATOM 1970 CD1 LEU A 127 2.632 -2.273 -11.779 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.669 -2.508 -9.285 1.00 1.00 C ATOM 0 H LEU A 127 2.308 0.641 -9.507 1.00 1.00 H new ATOM 0 HA LEU A 127 4.356 -0.688 -8.262 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.193 -0.126 -11.270 1.00 1.00 H new ATOM 0 HB3 LEU A 127 4.920 -1.528 -10.511 1.00 1.00 H new ATOM 0 HG LEU A 127 1.963 -0.787 -10.363 1.00 1.00 H new ATOM 0 HD11 LEU A 127 1.672 -2.788 -11.810 1.00 1.00 H new ATOM 0 HD12 LEU A 127 2.692 -1.567 -12.607 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.437 -3.002 -11.866 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.705 -3.015 -9.317 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.469 -3.244 -9.364 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.764 -1.969 -8.343 1.00 1.00 H new ATOM 1983 N GLN A 128 5.510 1.807 -10.133 1.00 1.00 N ATOM 1984 CA GLN A 128 6.677 2.649 -10.356 1.00 1.00 C ATOM 1985 C GLN A 128 7.118 3.384 -9.091 1.00 1.00 C ATOM 1986 O GLN A 128 8.312 3.469 -8.804 1.00 1.00 O ATOM 1987 CB GLN A 128 6.337 3.651 -11.446 1.00 1.00 C ATOM 1988 CG GLN A 128 6.134 2.887 -12.752 1.00 1.00 C ATOM 1989 CD GLN A 128 5.582 3.817 -13.806 1.00 1.00 C ATOM 1990 OE1 GLN A 128 6.335 4.455 -14.542 1.00 1.00 O ATOM 1991 NE2 GLN A 128 4.295 3.937 -13.915 1.00 1.00 N ATOM 0 H GLN A 128 4.703 2.037 -10.714 1.00 1.00 H new ATOM 0 HA GLN A 128 7.510 2.013 -10.654 1.00 1.00 H new ATOM 0 HB2 GLN A 128 5.435 4.204 -11.185 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.139 4.382 -11.554 1.00 1.00 H new ATOM 0 HG2 GLN A 128 7.081 2.463 -13.087 1.00 1.00 H new ATOM 0 HG3 GLN A 128 5.449 2.054 -12.594 1.00 1.00 H new ATOM 0 HE21 GLN A 128 3.679 3.404 -13.301 1.00 1.00 H new ATOM 0 HE22 GLN A 128 3.899 4.564 -14.615 1.00 1.00 H new ATOM 2000 N GLU A 129 6.161 3.926 -8.347 1.00 1.00 N ATOM 2001 CA GLU A 129 6.490 4.663 -7.128 1.00 1.00 C ATOM 2002 C GLU A 129 7.210 3.774 -6.120 1.00 1.00 C ATOM 2003 O GLU A 129 8.106 4.231 -5.414 1.00 1.00 O ATOM 2004 CB GLU A 129 5.218 5.226 -6.488 1.00 1.00 C ATOM 2005 CG GLU A 129 4.616 6.319 -7.377 1.00 1.00 C ATOM 2006 CD GLU A 129 5.559 7.517 -7.448 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.388 7.647 -6.562 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.441 8.284 -8.388 1.00 1.00 O ATOM 0 H GLU A 129 5.165 3.872 -8.560 1.00 1.00 H new ATOM 0 HA GLU A 129 7.154 5.481 -7.407 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.492 4.426 -6.341 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.448 5.634 -5.503 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.438 5.927 -8.378 1.00 1.00 H new ATOM 0 HG3 GLU A 129 3.650 6.630 -6.980 1.00 1.00 H new ATOM 2015 N VAL A 130 6.821 2.507 -6.055 1.00 1.00 N ATOM 2016 CA VAL A 130 7.453 1.583 -5.123 1.00 1.00 C ATOM 2017 C VAL A 130 8.938 1.425 -5.467 1.00 1.00 C ATOM 2018 O VAL A 130 9.801 1.465 -4.591 1.00 1.00 O ATOM 2019 CB VAL A 130 6.745 0.225 -5.186 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.514 -0.804 -4.353 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.327 0.372 -4.627 1.00 1.00 C ATOM 0 H VAL A 130 6.082 2.100 -6.628 1.00 1.00 H new ATOM 0 HA VAL A 130 7.371 1.980 -4.111 1.00 1.00 H new ATOM 0 HB VAL A 130 6.703 -0.113 -6.222 1.00 1.00 H new ATOM 0 HG11 VAL A 130 7.005 -1.766 -4.403 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.525 -0.908 -4.746 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.560 -0.471 -3.316 1.00 1.00 H new ATOM 0 HG21 VAL A 130 4.818 -0.591 -4.669 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.377 0.711 -3.592 1.00 1.00 H new ATOM 0 HG23 VAL A 130 4.775 1.100 -5.221 1.00 1.00 H new ATOM 2031 N ALA A 131 9.212 1.225 -6.749 1.00 1.00 N ATOM 2032 CA ALA A 131 10.585 1.033 -7.222 1.00 1.00 C ATOM 2033 C ALA A 131 11.504 2.178 -6.785 1.00 1.00 C ATOM 2034 O ALA A 131 12.611 1.938 -6.302 1.00 1.00 O ATOM 2035 CB ALA A 131 10.601 0.933 -8.748 1.00 1.00 C ATOM 0 H ALA A 131 8.505 1.191 -7.483 1.00 1.00 H new ATOM 0 HA ALA A 131 10.957 0.109 -6.779 1.00 1.00 H new ATOM 0 HB1 ALA A 131 11.625 0.790 -9.093 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.991 0.087 -9.064 1.00 1.00 H new ATOM 0 HB3 ALA A 131 10.198 1.851 -9.177 1.00 1.00 H new ATOM 2041 N ARG A 132 11.052 3.415 -6.958 1.00 1.00 N ATOM 2042 CA ARG A 132 11.861 4.572 -6.576 1.00 1.00 C ATOM 2043 C ARG A 132 11.816 4.798 -5.067 1.00 1.00 C ATOM 2044 O ARG A 132 12.725 5.397 -4.489 1.00 1.00 O ATOM 2045 CB ARG A 132 11.361 5.820 -7.304 1.00 1.00 C ATOM 2046 CG ARG A 132 11.691 5.696 -8.792 1.00 1.00 C ATOM 2047 CD ARG A 132 11.167 6.919 -9.544 1.00 1.00 C ATOM 2048 NE ARG A 132 11.485 6.807 -10.963 1.00 1.00 N ATOM 2049 CZ ARG A 132 11.422 7.863 -11.767 1.00 1.00 C ATOM 2050 NH1 ARG A 132 11.067 9.025 -11.291 1.00 1.00 N ATOM 2051 NH2 ARG A 132 11.715 7.738 -13.032 1.00 1.00 N ATOM 0 H ARG A 132 10.141 3.644 -7.355 1.00 1.00 H new ATOM 0 HA ARG A 132 12.894 4.375 -6.861 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.286 5.931 -7.165 1.00 1.00 H new ATOM 0 HB3 ARG A 132 11.830 6.712 -6.888 1.00 1.00 H new ATOM 0 HG2 ARG A 132 12.769 5.609 -8.928 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.244 4.789 -9.198 1.00 1.00 H new ATOM 0 HD2 ARG A 132 10.089 7.004 -9.410 1.00 1.00 H new ATOM 0 HD3 ARG A 132 11.611 7.826 -9.134 1.00 1.00 H new ATOM 0 HE ARG A 132 11.761 5.902 -11.345 1.00 1.00 H new ATOM 0 HH11 ARG A 132 10.838 9.123 -10.302 1.00 1.00 H new ATOM 0 HH12 ARG A 132 11.019 9.836 -11.908 1.00 1.00 H new ATOM 0 HH21 ARG A 132 11.992 6.830 -13.404 1.00 1.00 H new ATOM 0 HH22 ARG A 132 11.667 8.549 -13.649 1.00 1.00 H new ATOM 2065 N ALA A 133 10.746 4.327 -4.440 1.00 1.00 N ATOM 2066 CA ALA A 133 10.570 4.491 -3.002 1.00 1.00 C ATOM 2067 C ALA A 133 11.856 4.180 -2.236 1.00 1.00 C ATOM 2068 O ALA A 133 11.992 4.568 -1.080 1.00 1.00 O ATOM 2069 CB ALA A 133 9.445 3.583 -2.507 1.00 1.00 C ATOM 0 H ALA A 133 9.987 3.828 -4.904 1.00 1.00 H new ATOM 0 HA ALA A 133 10.311 5.534 -2.817 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.320 3.712 -1.432 1.00 1.00 H new ATOM 0 HB2 ALA A 133 8.516 3.845 -3.014 1.00 1.00 H new ATOM 0 HB3 ALA A 133 9.695 2.544 -2.721 1.00 1.00 H new ATOM 2075 N CYS A 134 12.807 3.504 -2.882 1.00 1.00 N ATOM 2076 CA CYS A 134 14.080 3.191 -2.222 1.00 1.00 C ATOM 2077 C CYS A 134 14.883 2.133 -2.996 1.00 1.00 C ATOM 2078 O CYS A 134 16.098 2.264 -3.136 1.00 1.00 O ATOM 2079 CB CYS A 134 13.840 2.722 -0.760 1.00 1.00 C ATOM 2080 SG CYS A 134 14.177 4.083 0.392 1.00 1.00 S ATOM 0 H CYS A 134 12.726 3.168 -3.842 1.00 1.00 H new ATOM 0 HA CYS A 134 14.669 4.108 -2.207 1.00 1.00 H new ATOM 0 HB2 CYS A 134 12.811 2.382 -0.643 1.00 1.00 H new ATOM 0 HB3 CYS A 134 14.484 1.873 -0.531 1.00 1.00 H new ATOM 0 HG CYS A 134 13.262 4.998 0.262 1.00 1.00 H new ATOM 2086 N PRO A 135 14.251 1.096 -3.484 1.00 1.00 N ATOM 2087 CA PRO A 135 14.961 0.015 -4.234 1.00 1.00 C ATOM 2088 C PRO A 135 15.817 0.550 -5.380 1.00 1.00 C ATOM 2089 O PRO A 135 16.883 0.002 -5.659 1.00 1.00 O ATOM 2090 CB PRO A 135 13.823 -0.872 -4.764 1.00 1.00 C ATOM 2091 CG PRO A 135 12.686 -0.638 -3.824 1.00 1.00 C ATOM 2092 CD PRO A 135 12.807 0.822 -3.375 1.00 1.00 C ATOM 0 HA PRO A 135 15.665 -0.519 -3.596 1.00 1.00 H new ATOM 0 HB2 PRO A 135 13.554 -0.602 -5.785 1.00 1.00 H new ATOM 0 HB3 PRO A 135 14.114 -1.922 -4.779 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.730 -0.818 -4.315 1.00 1.00 H new ATOM 0 HG3 PRO A 135 12.739 -1.315 -2.971 1.00 1.00 H new ATOM 0 HD2 PRO A 135 12.223 1.487 -4.011 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.448 0.959 -2.355 1.00 1.00 H new ATOM 2232 N GLU A 145 15.226 1.422 6.615 1.00 1.00 N ATOM 2233 CA GLU A 145 15.055 2.613 7.443 1.00 1.00 C ATOM 2234 C GLU A 145 13.620 2.682 7.947 1.00 1.00 C ATOM 2235 O GLU A 145 12.671 2.565 7.171 1.00 1.00 O ATOM 2236 CB GLU A 145 15.408 3.875 6.646 1.00 1.00 C ATOM 2237 CG GLU A 145 14.659 3.881 5.312 1.00 1.00 C ATOM 2238 CD GLU A 145 15.042 5.120 4.509 1.00 1.00 C ATOM 2239 OE1 GLU A 145 15.726 5.968 5.057 1.00 1.00 O ATOM 2240 OE2 GLU A 145 14.643 5.203 3.359 1.00 1.00 O ATOM 0 HA GLU A 145 15.729 2.553 8.298 1.00 1.00 H new ATOM 0 HB2 GLU A 145 15.148 4.763 7.222 1.00 1.00 H new ATOM 0 HB3 GLU A 145 16.483 3.914 6.469 1.00 1.00 H new ATOM 0 HG2 GLU A 145 14.899 2.981 4.746 1.00 1.00 H new ATOM 0 HG3 GLU A 145 13.583 3.869 5.488 1.00 1.00 H new ATOM 2247 N PHE A 146 13.463 2.848 9.256 1.00 1.00 N ATOM 2248 CA PHE A 146 12.131 2.904 9.852 1.00 1.00 C ATOM 2249 C PHE A 146 12.165 3.671 11.178 1.00 1.00 C ATOM 2250 O PHE A 146 11.155 3.792 11.866 1.00 1.00 O ATOM 2251 CB PHE A 146 11.614 1.473 10.073 1.00 1.00 C ATOM 2252 CG PHE A 146 12.765 0.572 10.468 1.00 1.00 C ATOM 2253 CD1 PHE A 146 13.376 0.734 11.717 1.00 1.00 C ATOM 2254 CD2 PHE A 146 13.223 -0.426 9.591 1.00 1.00 C ATOM 2255 CE1 PHE A 146 14.439 -0.095 12.091 1.00 1.00 C ATOM 2256 CE2 PHE A 146 14.286 -1.254 9.968 1.00 1.00 C ATOM 2257 CZ PHE A 146 14.894 -1.089 11.217 1.00 1.00 C ATOM 0 H PHE A 146 14.232 2.945 9.919 1.00 1.00 H new ATOM 0 HA PHE A 146 11.458 3.431 9.176 1.00 1.00 H new ATOM 0 HB2 PHE A 146 10.851 1.467 10.851 1.00 1.00 H new ATOM 0 HB3 PHE A 146 11.144 1.101 9.163 1.00 1.00 H new ATOM 0 HD1 PHE A 146 13.026 1.500 12.393 1.00 1.00 H new ATOM 0 HD2 PHE A 146 12.755 -0.554 8.626 1.00 1.00 H new ATOM 0 HE1 PHE A 146 14.909 0.032 13.055 1.00 1.00 H new ATOM 0 HE2 PHE A 146 14.637 -2.021 9.294 1.00 1.00 H new ATOM 0 HZ PHE A 146 15.715 -1.729 11.507 1.00 1.00 H new ATOM 2267 N GLU A 147 13.343 4.160 11.535 1.00 1.00 N ATOM 2268 CA GLU A 147 13.525 4.891 12.788 1.00 1.00 C ATOM 2269 C GLU A 147 12.611 6.121 12.881 1.00 1.00 C ATOM 2270 O GLU A 147 12.361 6.628 13.974 1.00 1.00 O ATOM 2271 CB GLU A 147 14.988 5.325 12.901 1.00 1.00 C ATOM 2272 CG GLU A 147 15.234 5.985 14.258 1.00 1.00 C ATOM 2273 CD GLU A 147 16.715 6.309 14.414 1.00 1.00 C ATOM 2274 OE1 GLU A 147 17.500 5.793 13.635 1.00 1.00 O ATOM 2275 OE2 GLU A 147 17.045 7.066 15.312 1.00 1.00 O ATOM 0 H GLU A 147 14.191 4.066 10.976 1.00 1.00 H new ATOM 0 HA GLU A 147 13.257 4.226 13.609 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.642 4.461 12.783 1.00 1.00 H new ATOM 0 HB3 GLU A 147 15.232 6.021 12.099 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.642 6.897 14.342 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.911 5.321 15.060 1.00 1.00 H new ATOM 2282 N TRP A 148 12.119 6.602 11.740 1.00 1.00 N ATOM 2283 CA TRP A 148 11.243 7.778 11.726 1.00 1.00 C ATOM 2284 C TRP A 148 9.774 7.387 11.857 1.00 1.00 C ATOM 2285 O TRP A 148 8.943 8.227 12.178 1.00 1.00 O ATOM 2286 CB TRP A 148 11.470 8.595 10.450 1.00 1.00 C ATOM 2287 CG TRP A 148 11.161 7.768 9.246 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.930 6.757 8.779 1.00 1.00 C ATOM 2289 CD2 TRP A 148 10.031 7.877 8.337 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.332 6.228 7.650 1.00 1.00 N ATOM 2291 CE2 TRP A 148 10.159 6.885 7.336 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.911 8.728 8.288 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 9.212 6.743 6.322 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.956 8.589 7.267 1.00 1.00 C ATOM 2295 CH2 TRP A 148 8.107 7.597 6.287 1.00 1.00 C ATOM 0 H TRP A 148 12.308 6.202 10.821 1.00 1.00 H new ATOM 0 HA TRP A 148 11.497 8.393 12.589 1.00 1.00 H new ATOM 0 HB2 TRP A 148 10.839 9.484 10.461 1.00 1.00 H new ATOM 0 HB3 TRP A 148 12.504 8.939 10.409 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.858 6.419 9.216 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.711 5.447 7.114 1.00 1.00 H new ATOM 0 HE3 TRP A 148 8.785 9.493 9.040 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.332 5.978 5.569 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 7.102 9.249 7.237 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.369 7.493 5.505 1.00 1.00 H new ATOM 2306 N LEU A 149 9.462 6.116 11.629 1.00 1.00 N ATOM 2307 CA LEU A 149 8.082 5.645 11.752 1.00 1.00 C ATOM 2308 C LEU A 149 7.603 5.798 13.190 1.00 1.00 C ATOM 2309 O LEU A 149 6.433 6.099 13.432 1.00 1.00 O ATOM 2310 CB LEU A 149 7.965 4.174 11.310 1.00 1.00 C ATOM 2311 CG LEU A 149 7.801 4.075 9.784 1.00 1.00 C ATOM 2312 CD1 LEU A 149 8.820 4.976 9.074 1.00 1.00 C ATOM 2313 CD2 LEU A 149 8.011 2.617 9.347 1.00 1.00 C ATOM 0 H LEU A 149 10.135 5.398 11.361 1.00 1.00 H new ATOM 0 HA LEU A 149 7.453 6.251 11.100 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.853 3.624 11.622 1.00 1.00 H new ATOM 0 HB3 LEU A 149 7.112 3.708 11.803 1.00 1.00 H new ATOM 0 HG LEU A 149 6.798 4.404 9.513 1.00 1.00 H new ATOM 0 HD11 LEU A 149 8.689 4.893 7.995 1.00 1.00 H new ATOM 0 HD12 LEU A 149 8.666 6.011 9.380 1.00 1.00 H new ATOM 0 HD13 LEU A 149 9.830 4.665 9.342 1.00 1.00 H new ATOM 0 HD21 LEU A 149 7.896 2.541 8.266 1.00 1.00 H new ATOM 0 HD22 LEU A 149 9.013 2.293 9.629 1.00 1.00 H new ATOM 0 HD23 LEU A 149 7.273 1.981 9.836 1.00 1.00 H new ATOM 2325 N SER A 150 8.505 5.589 14.146 1.00 1.00 N ATOM 2326 CA SER A 150 8.142 5.706 15.553 1.00 1.00 C ATOM 2327 C SER A 150 7.325 6.972 15.775 1.00 1.00 C ATOM 2328 O SER A 150 6.527 7.053 16.709 1.00 1.00 O ATOM 2329 CB SER A 150 9.406 5.762 16.410 1.00 1.00 C ATOM 2330 OG SER A 150 10.170 6.902 16.037 1.00 1.00 O ATOM 0 H SER A 150 9.479 5.341 13.974 1.00 1.00 H new ATOM 0 HA SER A 150 7.547 4.838 15.838 1.00 1.00 H new ATOM 0 HB2 SER A 150 9.142 5.815 17.466 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.994 4.854 16.273 1.00 1.00 H new ATOM 0 HG SER A 150 10.824 6.648 15.353 1.00 1.00 H new ATOM 2336 N ARG A 151 7.512 7.951 14.895 1.00 1.00 N ATOM 2337 CA ARG A 151 6.768 9.196 14.993 1.00 1.00 C ATOM 2338 C ARG A 151 5.280 8.888 14.919 1.00 1.00 C ATOM 2339 O ARG A 151 4.469 9.446 15.659 1.00 1.00 O ATOM 2340 CB ARG A 151 7.170 10.131 13.840 1.00 1.00 C ATOM 2341 CG ARG A 151 6.538 9.649 12.522 1.00 1.00 C ATOM 2342 CD ARG A 151 7.142 10.416 11.348 1.00 1.00 C ATOM 2343 NE ARG A 151 6.808 11.829 11.454 1.00 1.00 N ATOM 2344 CZ ARG A 151 5.572 12.261 11.232 1.00 1.00 C ATOM 2345 NH1 ARG A 151 4.627 11.413 10.924 1.00 1.00 N ATOM 2346 NH2 ARG A 151 5.300 13.533 11.328 1.00 1.00 N ATOM 0 H ARG A 151 8.167 7.905 14.114 1.00 1.00 H new ATOM 0 HA ARG A 151 6.992 9.689 15.939 1.00 1.00 H new ATOM 0 HB2 ARG A 151 6.845 11.149 14.057 1.00 1.00 H new ATOM 0 HB3 ARG A 151 8.255 10.156 13.744 1.00 1.00 H new ATOM 0 HG2 ARG A 151 6.708 8.580 12.396 1.00 1.00 H new ATOM 0 HG3 ARG A 151 5.459 9.799 12.549 1.00 1.00 H new ATOM 0 HD2 ARG A 151 8.225 10.289 11.338 1.00 1.00 H new ATOM 0 HD3 ARG A 151 6.765 10.014 10.407 1.00 1.00 H new ATOM 0 HE ARG A 151 7.536 12.499 11.703 1.00 1.00 H new ATOM 0 HH11 ARG A 151 4.838 10.418 10.854 1.00 1.00 H new ATOM 0 HH12 ARG A 151 3.678 11.746 10.754 1.00 1.00 H new ATOM 0 HH21 ARG A 151 6.036 14.195 11.573 1.00 1.00 H new ATOM 0 HH22 ARG A 151 4.351 13.866 11.158 1.00 1.00 H new ATOM 2360 N HIS A 152 4.946 7.980 14.011 1.00 1.00 N ATOM 2361 CA HIS A 152 3.571 7.567 13.819 1.00 1.00 C ATOM 2362 C HIS A 152 3.133 6.668 14.967 1.00 1.00 C ATOM 2363 O HIS A 152 3.906 5.846 15.458 1.00 1.00 O ATOM 2364 CB HIS A 152 3.436 6.816 12.490 1.00 1.00 C ATOM 2365 CG HIS A 152 3.592 7.781 11.345 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.566 8.623 10.945 1.00 1.00 N ATOM 2367 CD2 HIS A 152 4.644 8.047 10.501 1.00 1.00 C ATOM 2368 CE1 HIS A 152 3.016 9.348 9.905 1.00 1.00 C ATOM 2369 NE2 HIS A 152 4.277 9.036 9.592 1.00 1.00 N ATOM 0 H HIS A 152 5.615 7.517 13.396 1.00 1.00 H new ATOM 0 HA HIS A 152 2.934 8.451 13.797 1.00 1.00 H new ATOM 0 HB2 HIS A 152 4.192 6.034 12.425 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.464 6.325 12.435 1.00 1.00 H new ATOM 0 HD2 HIS A 152 5.609 7.563 10.537 1.00 1.00 H new ATOM 0 HE1 HIS A 152 2.429 10.092 9.386 1.00 1.00 H new ATOM 0 HE2 HIS A 152 4.848 9.436 8.847 1.00 1.00 H new ATOM 2377 N THR A 153 1.879 6.820 15.374 1.00 1.00 N ATOM 2378 CA THR A 153 1.312 6.010 16.453 1.00 1.00 C ATOM 2379 C THR A 153 0.110 5.253 15.923 1.00 1.00 C ATOM 2380 O THR A 153 -0.478 4.418 16.612 1.00 1.00 O ATOM 2381 CB THR A 153 0.897 6.900 17.628 1.00 1.00 C ATOM 2382 OG1 THR A 153 0.203 6.116 18.588 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.013 8.029 17.139 1.00 1.00 C ATOM 0 H THR A 153 1.231 7.498 14.974 1.00 1.00 H new ATOM 0 HA THR A 153 2.063 5.304 16.808 1.00 1.00 H new ATOM 0 HB THR A 153 1.789 7.334 18.079 1.00 1.00 H new ATOM 0 HG1 THR A 153 -0.344 5.445 18.129 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.302 8.655 17.983 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.519 8.633 16.404 1.00 1.00 H new ATOM 0 HG23 THR A 153 -0.906 7.604 16.681 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.235 5.555 14.680 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.359 4.910 14.023 1.00 1.00 C ATOM 2393 C CYS A 154 -2.633 5.097 14.838 1.00 1.00 C ATOM 2394 O CYS A 154 -2.581 5.331 16.046 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.066 3.418 13.844 1.00 1.00 C ATOM 2396 SG CYS A 154 0.669 3.201 13.373 1.00 1.00 S ATOM 0 H CYS A 154 0.250 6.245 14.106 1.00 1.00 H new ATOM 0 HA CYS A 154 -1.504 5.369 13.045 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -1.273 2.881 14.770 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -1.718 2.997 13.079 1.00 1.00 H new ATOM 0 HG CYS A 154 0.923 1.935 13.222 1.00 1.00 H new