USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=31 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= -6.56! C(o=-23!,f=-32!) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -16.1! C(o=-24!,f=-23!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= -0.768 F(o=-4,f=-0.77) USER MOD Set 3.1: A 27 GLN : amide:sc= -2.98! C(o=-8.2!,f=-7.8!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -5.22! C(o=-8.2!,f=-15!) USER MOD Single : A 8 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.2!) USER MOD Single : A 15 THR OG1 : rot -2:sc= 0.224 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -150:sc= -0.0709 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.019 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= -0.379 K(o=-0.38,f=-2.9!) 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= -0.0195 K(o=-0.019,f=-1.3!) USER MOD Single : A 53 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.9!) USER MOD Single : A 55 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 73 SER OG : rot 180:sc=-0.000572 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 100 SER OG : rot -41:sc= 0.304 USER MOD Single : A 108 THR OG1 : rot -70:sc= 0.0091 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.091 USER MOD Single : A 122 HIS : no HE2:sc= -7.07! C(o=-7.1!,f=-7.7!) USER MOD Single : A 123 THR OG1 : rot 145:sc= 0.962 USER MOD Single : A 125 THR OG1 : rot 62:sc= 0.802 USER MOD Single : A 128 GLN :FLIP amide:sc= -0.218 F(o=-1.2,f=-0.22) USER MOD Single : A 134 CYS SG : rot 180:sc= -0.448 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-5.3!) USER MOD Single : A 153 THR OG1 : rot -30:sc= 0.519! USER MOD Single : A 154 CYS SG : rot 180:sc= -1.58 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -11.059 9.704 -6.238 1.00 1.00 N ATOM 79 CA ASP A 7 -9.754 9.050 -6.192 1.00 1.00 C ATOM 80 C ASP A 7 -9.447 8.556 -4.782 1.00 1.00 C ATOM 81 O ASP A 7 -10.209 8.794 -3.846 1.00 1.00 O ATOM 82 CB ASP A 7 -8.652 10.009 -6.660 1.00 1.00 C ATOM 83 CG ASP A 7 -8.786 11.353 -5.956 1.00 1.00 C ATOM 84 OD1 ASP A 7 -9.755 11.528 -5.236 1.00 1.00 O ATOM 85 OD2 ASP A 7 -7.920 12.189 -6.152 1.00 1.00 O ATOM 0 HA ASP A 7 -9.784 8.193 -6.865 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -7.673 9.578 -6.452 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.716 10.148 -7.739 1.00 1.00 H new ATOM 90 N GLN A 8 -8.309 7.880 -4.642 1.00 1.00 N ATOM 91 CA GLN A 8 -7.878 7.360 -3.343 1.00 1.00 C ATOM 92 C GLN A 8 -6.803 8.263 -2.739 1.00 1.00 C ATOM 93 O GLN A 8 -6.652 8.342 -1.520 1.00 1.00 O ATOM 94 CB GLN A 8 -7.302 5.955 -3.507 1.00 1.00 C ATOM 95 CG GLN A 8 -8.234 5.094 -4.360 1.00 1.00 C ATOM 96 CD GLN A 8 -9.605 4.986 -3.711 1.00 1.00 C ATOM 97 OE1 GLN A 8 -9.727 5.056 -2.487 1.00 1.00 O ATOM 98 NE2 GLN A 8 -10.647 4.793 -4.466 1.00 1.00 N ATOM 0 H GLN A 8 -7.668 7.679 -5.410 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.744 7.331 -2.682 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.319 6.010 -3.974 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -7.165 5.495 -2.529 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.330 5.528 -5.355 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.806 4.100 -4.486 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -10.539 4.736 -5.479 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -11.571 4.699 -4.045 1.00 1.00 H new ATOM 107 N SER A 9 -6.033 8.910 -3.609 1.00 1.00 N ATOM 108 CA SER A 9 -4.944 9.769 -3.153 1.00 1.00 C ATOM 109 C SER A 9 -5.446 10.786 -2.137 1.00 1.00 C ATOM 110 O SER A 9 -4.828 10.976 -1.089 1.00 1.00 O ATOM 111 CB SER A 9 -4.324 10.506 -4.341 1.00 1.00 C ATOM 112 OG SER A 9 -3.514 11.572 -3.863 1.00 1.00 O ATOM 0 H SER A 9 -6.140 8.858 -4.622 1.00 1.00 H new ATOM 0 HA SER A 9 -4.192 9.139 -2.679 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.725 9.818 -4.938 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.108 10.893 -4.992 1.00 1.00 H new ATOM 0 HG SER A 9 -3.114 12.045 -4.622 1.00 1.00 H new ATOM 118 N VAL A 10 -6.562 11.441 -2.438 1.00 1.00 N ATOM 119 CA VAL A 10 -7.106 12.427 -1.518 1.00 1.00 C ATOM 120 C VAL A 10 -7.460 11.758 -0.191 1.00 1.00 C ATOM 121 O VAL A 10 -7.110 12.250 0.882 1.00 1.00 O ATOM 122 CB VAL A 10 -8.354 13.065 -2.134 1.00 1.00 C ATOM 123 CG1 VAL A 10 -7.989 13.713 -3.473 1.00 1.00 C ATOM 124 CG2 VAL A 10 -9.431 11.991 -2.358 1.00 1.00 C ATOM 0 H VAL A 10 -7.098 11.309 -3.296 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.361 13.201 -1.334 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.742 13.825 -1.456 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -8.878 14.167 -3.912 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -7.231 14.480 -3.312 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -7.598 12.954 -4.150 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -10.317 12.450 -2.796 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -9.047 11.226 -3.033 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -9.694 11.534 -1.404 1.00 1.00 H new ATOM 134 N ALA A 11 -8.169 10.639 -0.284 1.00 1.00 N ATOM 135 CA ALA A 11 -8.592 9.904 0.899 1.00 1.00 C ATOM 136 C ALA A 11 -7.451 9.807 1.901 1.00 1.00 C ATOM 137 O ALA A 11 -7.631 10.087 3.088 1.00 1.00 O ATOM 138 CB ALA A 11 -9.049 8.499 0.507 1.00 1.00 C ATOM 0 H ALA A 11 -8.462 10.222 -1.167 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.423 10.439 1.359 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.364 7.957 1.399 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -9.885 8.569 -0.189 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.225 7.968 0.031 1.00 1.00 H new ATOM 144 N ILE A 12 -6.279 9.407 1.426 1.00 1.00 N ATOM 145 CA ILE A 12 -5.129 9.278 2.308 1.00 1.00 C ATOM 146 C ILE A 12 -4.761 10.636 2.905 1.00 1.00 C ATOM 147 O ILE A 12 -4.557 10.766 4.112 1.00 1.00 O ATOM 148 CB ILE A 12 -3.934 8.721 1.525 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.329 7.412 0.822 1.00 1.00 C ATOM 150 CG2 ILE A 12 -2.758 8.472 2.476 1.00 1.00 C ATOM 151 CD1 ILE A 12 -4.881 6.394 1.831 1.00 1.00 C ATOM 0 H ILE A 12 -6.101 9.170 0.450 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.385 8.594 3.117 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.633 9.449 0.771 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.079 7.617 0.058 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.462 6.992 0.313 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.912 8.076 1.913 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.470 9.409 2.952 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.054 7.753 3.240 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.154 5.476 1.310 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.120 6.174 2.579 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.762 6.808 2.321 1.00 1.00 H new ATOM 163 N GLN A 13 -4.648 11.633 2.036 1.00 1.00 N ATOM 164 CA GLN A 13 -4.268 12.969 2.468 1.00 1.00 C ATOM 165 C GLN A 13 -5.150 13.423 3.636 1.00 1.00 C ATOM 166 O GLN A 13 -4.641 13.869 4.665 1.00 1.00 O ATOM 167 CB GLN A 13 -4.375 13.957 1.285 1.00 1.00 C ATOM 168 CG GLN A 13 -3.182 14.925 1.295 1.00 1.00 C ATOM 169 CD GLN A 13 -1.940 14.229 0.745 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.971 13.707 -0.369 1.00 1.00 O ATOM 171 NE2 GLN A 13 -0.845 14.183 1.459 1.00 1.00 N ATOM 0 H GLN A 13 -4.813 11.541 1.034 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.234 12.949 2.811 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.400 13.408 0.344 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.308 14.517 1.352 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -3.412 15.805 0.694 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.994 15.273 2.311 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.820 14.616 2.382 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -0.016 13.714 1.092 1.00 1.00 H new ATOM 180 N GLU A 14 -6.468 13.318 3.477 1.00 1.00 N ATOM 181 CA GLU A 14 -7.385 13.734 4.534 1.00 1.00 C ATOM 182 C GLU A 14 -7.186 12.890 5.790 1.00 1.00 C ATOM 183 O GLU A 14 -7.632 13.260 6.877 1.00 1.00 O ATOM 184 CB GLU A 14 -8.827 13.582 4.047 1.00 1.00 C ATOM 185 CG GLU A 14 -9.098 14.587 2.925 1.00 1.00 C ATOM 186 CD GLU A 14 -10.495 14.367 2.354 1.00 1.00 C ATOM 187 OE1 GLU A 14 -11.169 13.462 2.819 1.00 1.00 O ATOM 188 OE2 GLU A 14 -10.869 15.104 1.456 1.00 1.00 O ATOM 0 H GLU A 14 -6.919 12.953 2.638 1.00 1.00 H new ATOM 0 HA GLU A 14 -7.180 14.776 4.778 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.995 12.567 3.688 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.520 13.747 4.872 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -9.008 15.604 3.307 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -8.353 14.475 2.138 1.00 1.00 H new ATOM 195 N THR A 15 -6.526 11.746 5.626 1.00 1.00 N ATOM 196 CA THR A 15 -6.276 10.827 6.743 1.00 1.00 C ATOM 197 C THR A 15 -4.790 10.767 7.087 1.00 1.00 C ATOM 198 O THR A 15 -4.337 9.813 7.716 1.00 1.00 O ATOM 199 CB THR A 15 -6.749 9.417 6.381 1.00 1.00 C ATOM 200 OG1 THR A 15 -5.934 8.910 5.334 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.213 9.437 5.923 1.00 1.00 C ATOM 0 H THR A 15 -6.153 11.430 4.731 1.00 1.00 H new ATOM 0 HA THR A 15 -6.828 11.201 7.605 1.00 1.00 H new ATOM 0 HB THR A 15 -6.670 8.780 7.262 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.286 9.593 5.064 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.529 8.425 5.670 1.00 1.00 H new ATOM 0 HG22 THR A 15 -8.840 9.823 6.726 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.311 10.077 5.046 1.00 1.00 H new ATOM 209 N LEU A 16 -4.028 11.780 6.674 1.00 1.00 N ATOM 210 CA LEU A 16 -2.588 11.809 6.952 1.00 1.00 C ATOM 211 C LEU A 16 -2.291 12.773 8.103 1.00 1.00 C ATOM 212 O LEU A 16 -2.934 12.717 9.152 1.00 1.00 O ATOM 213 CB LEU A 16 -1.834 12.241 5.682 1.00 1.00 C ATOM 214 CG LEU A 16 -0.351 11.823 5.743 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.216 10.284 5.761 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.368 12.391 4.510 1.00 1.00 C ATOM 0 H LEU A 16 -4.377 12.584 6.152 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.255 10.813 7.246 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.305 11.793 4.807 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -1.905 13.322 5.564 1.00 1.00 H new ATOM 0 HG LEU A 16 0.096 12.214 6.657 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.839 10.012 5.804 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.730 9.884 6.635 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.661 9.869 4.857 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.419 12.104 4.538 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.093 11.994 3.605 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.288 13.478 4.511 1.00 1.00 H new ATOM 228 N VAL A 17 -1.330 13.667 7.895 1.00 1.00 N ATOM 229 CA VAL A 17 -0.968 14.652 8.910 1.00 1.00 C ATOM 230 C VAL A 17 -0.166 15.776 8.261 1.00 1.00 C ATOM 231 O VAL A 17 0.662 15.526 7.386 1.00 1.00 O ATOM 232 CB VAL A 17 -0.157 13.990 10.034 1.00 1.00 C ATOM 233 CG1 VAL A 17 1.258 13.670 9.546 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.081 14.940 11.231 1.00 1.00 C ATOM 0 H VAL A 17 -0.788 13.730 7.034 1.00 1.00 H new ATOM 0 HA VAL A 17 -1.876 15.068 9.348 1.00 1.00 H new ATOM 0 HB VAL A 17 -0.648 13.063 10.329 1.00 1.00 H new ATOM 0 HG11 VAL A 17 1.823 13.201 10.351 1.00 1.00 H new ATOM 0 HG12 VAL A 17 1.205 12.989 8.696 1.00 1.00 H new ATOM 0 HG13 VAL A 17 1.755 14.591 9.242 1.00 1.00 H new ATOM 0 HG21 VAL A 17 0.494 14.473 12.030 1.00 1.00 H new ATOM 0 HG22 VAL A 17 0.405 15.868 10.929 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -1.088 15.157 11.588 1.00 1.00 H new ATOM 244 N GLU A 18 -0.424 17.014 8.668 1.00 1.00 N ATOM 245 CA GLU A 18 0.272 18.156 8.085 1.00 1.00 C ATOM 246 C GLU A 18 1.785 18.053 8.273 1.00 1.00 C ATOM 247 O GLU A 18 2.298 18.233 9.378 1.00 1.00 O ATOM 248 CB GLU A 18 -0.229 19.444 8.741 1.00 1.00 C ATOM 249 CG GLU A 18 -1.694 19.667 8.367 1.00 1.00 C ATOM 250 CD GLU A 18 -2.239 20.893 9.091 1.00 1.00 C ATOM 251 OE1 GLU A 18 -1.489 21.494 9.843 1.00 1.00 O ATOM 252 OE2 GLU A 18 -3.397 21.212 8.884 1.00 1.00 O ATOM 0 H GLU A 18 -1.103 17.252 9.392 1.00 1.00 H new ATOM 0 HA GLU A 18 0.063 18.165 7.015 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.125 19.378 9.824 1.00 1.00 H new ATOM 0 HB3 GLU A 18 0.374 20.291 8.414 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.786 19.801 7.289 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.282 18.788 8.630 1.00 1.00 H new ATOM 259 N GLY A 19 2.495 17.779 7.175 1.00 1.00 N ATOM 260 CA GLY A 19 3.955 17.675 7.214 1.00 1.00 C ATOM 261 C GLY A 19 4.474 16.580 6.285 1.00 1.00 C ATOM 262 O GLY A 19 5.612 16.643 5.820 1.00 1.00 O ATOM 0 H GLY A 19 2.085 17.626 6.254 1.00 1.00 H new ATOM 0 HA2 GLY A 19 4.395 18.631 6.929 1.00 1.00 H new ATOM 0 HA3 GLY A 19 4.277 17.468 8.235 1.00 1.00 H new ATOM 266 N GLU A 20 3.644 15.572 6.021 1.00 1.00 N ATOM 267 CA GLU A 20 4.045 14.465 5.147 1.00 1.00 C ATOM 268 C GLU A 20 3.589 14.693 3.709 1.00 1.00 C ATOM 269 O GLU A 20 3.042 15.742 3.370 1.00 1.00 O ATOM 270 CB GLU A 20 3.480 13.144 5.675 1.00 1.00 C ATOM 271 CG GLU A 20 4.266 12.713 6.915 1.00 1.00 C ATOM 272 CD GLU A 20 3.643 11.461 7.522 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.700 10.952 6.941 1.00 1.00 O ATOM 274 OE2 GLU A 20 4.121 11.032 8.559 1.00 1.00 O ATOM 0 H GLU A 20 2.698 15.497 6.395 1.00 1.00 H new ATOM 0 HA GLU A 20 5.134 14.417 5.149 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.425 13.260 5.922 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.544 12.375 4.905 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.305 12.518 6.647 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.272 13.518 7.649 1.00 1.00 H new ATOM 281 N TYR A 21 3.853 13.698 2.863 1.00 1.00 N ATOM 282 CA TYR A 21 3.507 13.777 1.447 1.00 1.00 C ATOM 283 C TYR A 21 3.013 12.441 0.914 1.00 1.00 C ATOM 284 O TYR A 21 3.721 11.436 0.982 1.00 1.00 O ATOM 285 CB TYR A 21 4.748 14.194 0.661 1.00 1.00 C ATOM 286 CG TYR A 21 4.391 14.499 -0.775 1.00 1.00 C ATOM 287 CD1 TYR A 21 3.758 15.705 -1.101 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.704 13.580 -1.783 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.439 15.988 -2.435 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.387 13.864 -3.116 1.00 1.00 C ATOM 291 CZ TYR A 21 3.754 15.068 -3.442 1.00 1.00 C ATOM 292 OH TYR A 21 3.443 15.351 -4.756 1.00 1.00 O ATOM 0 H TYR A 21 4.307 12.826 3.136 1.00 1.00 H new ATOM 0 HA TYR A 21 2.705 14.506 1.331 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.200 15.072 1.123 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.491 13.397 0.695 1.00 1.00 H new ATOM 0 HD1 TYR A 21 3.516 16.416 -0.325 1.00 1.00 H new ATOM 0 HD2 TYR A 21 5.191 12.650 -1.531 1.00 1.00 H new ATOM 0 HE1 TYR A 21 2.949 16.917 -2.687 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.631 13.154 -3.893 1.00 1.00 H new ATOM 0 HH TYR A 21 3.730 14.608 -5.327 1.00 1.00 H new ATOM 302 N CYS A 22 1.821 12.451 0.327 1.00 1.00 N ATOM 303 CA CYS A 22 1.271 11.250 -0.283 1.00 1.00 C ATOM 304 C CYS A 22 1.682 11.265 -1.750 1.00 1.00 C ATOM 305 O CYS A 22 1.732 12.331 -2.363 1.00 1.00 O ATOM 306 CB CYS A 22 -0.257 11.220 -0.155 1.00 1.00 C ATOM 307 SG CYS A 22 -0.842 9.517 -0.350 1.00 1.00 S ATOM 0 H CYS A 22 1.221 13.274 0.262 1.00 1.00 H new ATOM 0 HA CYS A 22 1.651 10.360 0.219 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.560 11.611 0.816 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.709 11.861 -0.912 1.00 1.00 H new ATOM 0 HG CYS A 22 -2.036 9.524 -0.865 1.00 1.00 H new ATOM 313 N VAL A 23 1.991 10.104 -2.313 1.00 1.00 N ATOM 314 CA VAL A 23 2.415 10.025 -3.719 1.00 1.00 C ATOM 315 C VAL A 23 1.383 9.308 -4.583 1.00 1.00 C ATOM 316 O VAL A 23 1.049 9.762 -5.677 1.00 1.00 O ATOM 317 CB VAL A 23 3.729 9.249 -3.800 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.271 9.288 -5.232 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.751 9.875 -2.857 1.00 1.00 C ATOM 0 H VAL A 23 1.959 9.207 -1.829 1.00 1.00 H new ATOM 0 HA VAL A 23 2.531 11.043 -4.090 1.00 1.00 H new ATOM 0 HB VAL A 23 3.549 8.214 -3.511 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.208 8.733 -5.282 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.545 8.836 -5.908 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.446 10.323 -5.527 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.688 9.321 -2.916 1.00 1.00 H new ATOM 0 HG22 VAL A 23 4.924 10.912 -3.145 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.372 9.841 -1.835 1.00 1.00 H new ATOM 329 N ILE A 24 0.906 8.168 -4.098 1.00 1.00 N ATOM 330 CA ILE A 24 -0.055 7.376 -4.852 1.00 1.00 C ATOM 331 C ILE A 24 -0.635 6.264 -3.984 1.00 1.00 C ATOM 332 O ILE A 24 0.071 5.655 -3.181 1.00 1.00 O ATOM 333 CB ILE A 24 0.652 6.783 -6.084 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.276 5.820 -6.850 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.915 6.036 -5.643 1.00 1.00 C ATOM 336 CD1 ILE A 24 -1.504 6.574 -7.366 1.00 1.00 C ATOM 0 H ILE A 24 1.167 7.775 -3.194 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.880 8.012 -5.172 1.00 1.00 H new ATOM 0 HB ILE A 24 0.919 7.603 -6.751 1.00 1.00 H new ATOM 0 HG12 ILE A 24 0.262 5.371 -7.685 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -0.588 5.005 -6.196 1.00 1.00 H new ATOM 0 HG21 ILE A 24 2.414 5.617 -6.517 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.589 6.728 -5.137 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.642 5.231 -4.960 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -2.154 5.885 -7.906 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -2.048 7.002 -6.524 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -1.186 7.373 -8.036 1.00 1.00 H new ATOM 348 N ALA A 25 -1.923 5.996 -4.163 1.00 1.00 N ATOM 349 CA ALA A 25 -2.590 4.945 -3.407 1.00 1.00 C ATOM 350 C ALA A 25 -3.683 4.306 -4.243 1.00 1.00 C ATOM 351 O ALA A 25 -4.564 4.991 -4.743 1.00 1.00 O ATOM 352 CB ALA A 25 -3.200 5.521 -2.127 1.00 1.00 C ATOM 0 H ALA A 25 -2.524 6.490 -4.823 1.00 1.00 H new ATOM 0 HA ALA A 25 -1.851 4.188 -3.146 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -3.696 4.726 -1.570 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.412 5.957 -1.513 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -3.927 6.291 -2.385 1.00 1.00 H new ATOM 358 N VAL A 26 -3.598 2.991 -4.441 1.00 1.00 N ATOM 359 CA VAL A 26 -4.585 2.281 -5.259 1.00 1.00 C ATOM 360 C VAL A 26 -5.219 1.143 -4.482 1.00 1.00 C ATOM 361 O VAL A 26 -4.558 0.170 -4.118 1.00 1.00 O ATOM 362 CB VAL A 26 -3.906 1.731 -6.520 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.364 2.896 -7.390 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.754 0.783 -6.115 1.00 1.00 C ATOM 0 H VAL A 26 -2.864 2.399 -4.051 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.370 2.983 -5.539 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.637 1.175 -7.107 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.885 2.492 -8.282 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -4.189 3.545 -7.684 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.637 3.471 -6.816 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.272 0.393 -7.011 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.024 1.331 -5.520 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.153 -0.044 -5.528 1.00 1.00 H new ATOM 374 N GLN A 27 -6.508 1.285 -4.212 1.00 1.00 N ATOM 375 CA GLN A 27 -7.233 0.283 -3.456 1.00 1.00 C ATOM 376 C GLN A 27 -7.192 -1.058 -4.173 1.00 1.00 C ATOM 377 O GLN A 27 -6.938 -1.128 -5.376 1.00 1.00 O ATOM 378 CB GLN A 27 -8.688 0.727 -3.279 1.00 1.00 C ATOM 379 CG GLN A 27 -9.358 -0.110 -2.189 1.00 1.00 C ATOM 380 CD GLN A 27 -10.741 0.441 -1.881 1.00 1.00 C ATOM 381 OE1 GLN A 27 -11.077 1.550 -2.290 1.00 1.00 O ATOM 382 NE2 GLN A 27 -11.562 -0.271 -1.163 1.00 1.00 N ATOM 0 H GLN A 27 -7.070 2.084 -4.506 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.762 0.172 -2.479 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.725 1.783 -3.013 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.228 0.616 -4.219 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.436 -1.148 -2.513 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.746 -0.103 -1.287 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.278 -1.191 -0.826 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.489 0.091 -0.938 1.00 1.00 H new ATOM 391 N GLY A 28 -7.444 -2.119 -3.419 1.00 1.00 N ATOM 392 CA GLY A 28 -7.436 -3.460 -3.980 1.00 1.00 C ATOM 393 C GLY A 28 -8.399 -4.367 -3.242 1.00 1.00 C ATOM 394 O GLY A 28 -9.311 -3.911 -2.554 1.00 1.00 O ATOM 0 H GLY A 28 -7.655 -2.077 -2.422 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.708 -3.418 -5.035 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.429 -3.874 -3.927 1.00 1.00 H new ATOM 398 N VAL A 29 -8.168 -5.660 -3.386 1.00 1.00 N ATOM 399 CA VAL A 29 -8.987 -6.670 -2.730 1.00 1.00 C ATOM 400 C VAL A 29 -8.085 -7.740 -2.143 1.00 1.00 C ATOM 401 O VAL A 29 -6.949 -7.901 -2.565 1.00 1.00 O ATOM 402 CB VAL A 29 -9.959 -7.300 -3.732 1.00 1.00 C ATOM 403 CG1 VAL A 29 -11.048 -8.074 -2.985 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.609 -6.203 -4.582 1.00 1.00 C ATOM 0 H VAL A 29 -7.413 -6.040 -3.957 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.566 -6.201 -1.934 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.408 -7.983 -4.378 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.736 -8.519 -3.704 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.589 -8.861 -2.386 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.595 -7.394 -2.333 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.300 -6.655 -5.294 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.153 -5.516 -3.935 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.837 -5.657 -5.123 1.00 1.00 H new ATOM 414 N LEU A 30 -8.619 -8.494 -1.204 1.00 1.00 N ATOM 415 CA LEU A 30 -7.886 -9.593 -0.584 1.00 1.00 C ATOM 416 C LEU A 30 -8.882 -10.710 -0.342 1.00 1.00 C ATOM 417 O LEU A 30 -9.889 -10.503 0.333 1.00 1.00 O ATOM 418 CB LEU A 30 -7.257 -9.126 0.741 1.00 1.00 C ATOM 419 CG LEU A 30 -6.206 -10.149 1.250 1.00 1.00 C ATOM 420 CD1 LEU A 30 -5.102 -9.416 2.029 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.872 -11.182 2.175 1.00 1.00 C ATOM 0 H LEU A 30 -9.566 -8.369 -0.847 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.076 -9.938 -1.227 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.785 -8.154 0.601 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.037 -8.996 1.492 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.774 -10.661 0.390 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.367 -10.138 2.384 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.614 -8.693 1.375 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.541 -8.897 2.881 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.124 -11.893 2.525 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.315 -10.672 3.030 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.649 -11.714 1.626 1.00 1.00 H new ATOM 433 N CYS A 31 -8.634 -11.887 -0.909 1.00 1.00 N ATOM 434 CA CYS A 31 -9.564 -13.004 -0.753 1.00 1.00 C ATOM 435 C CYS A 31 -9.014 -14.047 0.208 1.00 1.00 C ATOM 436 O CYS A 31 -7.868 -14.478 0.089 1.00 1.00 O ATOM 437 CB CYS A 31 -9.800 -13.655 -2.116 1.00 1.00 C ATOM 438 SG CYS A 31 -10.740 -15.187 -1.903 1.00 1.00 S ATOM 0 H CYS A 31 -7.809 -12.092 -1.473 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.499 -12.619 -0.347 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -10.343 -12.971 -2.768 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -8.846 -13.866 -2.599 1.00 1.00 H new ATOM 0 HG CYS A 31 -10.941 -15.738 -3.063 1.00 1.00 H new ATOM 444 N LYS A 32 -9.858 -14.472 1.143 1.00 1.00 N ATOM 445 CA LYS A 32 -9.481 -15.500 2.114 1.00 1.00 C ATOM 446 C LYS A 32 -10.469 -16.654 2.027 1.00 1.00 C ATOM 447 O LYS A 32 -11.665 -16.473 2.256 1.00 1.00 O ATOM 448 CB LYS A 32 -9.485 -14.931 3.540 1.00 1.00 C ATOM 449 CG LYS A 32 -8.784 -15.918 4.494 1.00 1.00 C ATOM 450 CD LYS A 32 -7.260 -15.671 4.496 1.00 1.00 C ATOM 451 CE LYS A 32 -6.904 -14.612 5.544 1.00 1.00 C ATOM 452 NZ LYS A 32 -5.427 -14.399 5.558 1.00 1.00 N ATOM 0 H LYS A 32 -10.810 -14.121 1.251 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.474 -15.848 1.884 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.976 -13.968 3.559 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -10.509 -14.757 3.870 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -9.179 -15.802 5.503 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -8.993 -16.942 4.186 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -6.733 -16.600 4.712 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -6.935 -15.342 3.509 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -7.415 -13.676 5.318 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -7.245 -14.931 6.529 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -5.187 -13.680 6.270 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -4.950 -15.292 5.794 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -5.114 -14.076 4.620 1.00 1.00 H new ATOM 466 N GLY A 33 -9.974 -17.837 1.683 1.00 1.00 N ATOM 467 CA GLY A 33 -10.839 -19.001 1.561 1.00 1.00 C ATOM 468 C GLY A 33 -11.989 -18.714 0.603 1.00 1.00 C ATOM 469 O GLY A 33 -11.817 -18.726 -0.618 1.00 1.00 O ATOM 0 H GLY A 33 -8.989 -18.014 1.486 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.263 -19.853 1.201 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -11.233 -19.273 2.540 1.00 1.00 H new ATOM 473 N ASP A 34 -13.164 -18.444 1.168 1.00 1.00 N ATOM 474 CA ASP A 34 -14.356 -18.136 0.378 1.00 1.00 C ATOM 475 C ASP A 34 -14.997 -16.859 0.901 1.00 1.00 C ATOM 476 O ASP A 34 -16.203 -16.654 0.769 1.00 1.00 O ATOM 477 CB ASP A 34 -15.355 -19.293 0.466 1.00 1.00 C ATOM 478 CG ASP A 34 -14.859 -20.473 -0.362 1.00 1.00 C ATOM 479 OD1 ASP A 34 -13.980 -20.271 -1.183 1.00 1.00 O ATOM 480 OD2 ASP A 34 -15.365 -21.566 -0.161 1.00 1.00 O ATOM 0 H ASP A 34 -13.317 -18.432 2.176 1.00 1.00 H new ATOM 0 HA ASP A 34 -14.069 -17.995 -0.664 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -15.483 -19.596 1.505 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -16.331 -18.970 0.105 1.00 1.00 H new ATOM 485 N SER A 35 -14.169 -15.998 1.493 1.00 1.00 N ATOM 486 CA SER A 35 -14.637 -14.724 2.038 1.00 1.00 C ATOM 487 C SER A 35 -13.815 -13.591 1.446 1.00 1.00 C ATOM 488 O SER A 35 -12.601 -13.535 1.632 1.00 1.00 O ATOM 489 CB SER A 35 -14.480 -14.724 3.559 1.00 1.00 C ATOM 490 OG SER A 35 -15.050 -13.535 4.090 1.00 1.00 O ATOM 0 H SER A 35 -13.169 -16.161 1.607 1.00 1.00 H new ATOM 0 HA SER A 35 -15.688 -14.587 1.784 1.00 1.00 H new ATOM 0 HB2 SER A 35 -14.970 -15.599 3.987 1.00 1.00 H new ATOM 0 HB3 SER A 35 -13.425 -14.787 3.827 1.00 1.00 H new ATOM 0 HG SER A 35 -14.953 -13.533 5.065 1.00 1.00 H new ATOM 496 N ARG A 36 -14.473 -12.695 0.715 1.00 1.00 N ATOM 497 CA ARG A 36 -13.772 -11.581 0.088 1.00 1.00 C ATOM 498 C ARG A 36 -13.616 -10.426 1.064 1.00 1.00 C ATOM 499 O ARG A 36 -14.516 -10.135 1.854 1.00 1.00 O ATOM 500 CB ARG A 36 -14.544 -11.114 -1.158 1.00 1.00 C ATOM 501 CG ARG A 36 -13.600 -10.363 -2.118 1.00 1.00 C ATOM 502 CD ARG A 36 -12.908 -11.360 -3.056 1.00 1.00 C ATOM 503 NE ARG A 36 -13.855 -11.867 -4.043 1.00 1.00 N ATOM 504 CZ ARG A 36 -13.539 -12.887 -4.836 1.00 1.00 C ATOM 505 NH1 ARG A 36 -12.365 -13.450 -4.737 1.00 1.00 N ATOM 506 NH2 ARG A 36 -14.401 -13.326 -5.710 1.00 1.00 N ATOM 0 H ARG A 36 -15.478 -12.718 0.544 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.779 -11.919 -0.208 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.983 -11.973 -1.666 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -15.367 -10.463 -0.862 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -14.164 -9.634 -2.700 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -12.854 -9.808 -1.549 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.072 -10.876 -3.560 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -12.496 -12.188 -2.478 1.00 1.00 H new ATOM 0 HE ARG A 36 -14.774 -11.432 -4.126 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -11.691 -13.108 -4.052 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -12.122 -14.232 -5.345 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -15.319 -12.887 -5.786 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -14.158 -14.108 -6.318 1.00 1.00 H new ATOM 520 N GLN A 37 -12.461 -9.774 1.004 1.00 1.00 N ATOM 521 CA GLN A 37 -12.167 -8.645 1.881 1.00 1.00 C ATOM 522 C GLN A 37 -11.667 -7.464 1.060 1.00 1.00 C ATOM 523 O GLN A 37 -11.012 -7.641 0.032 1.00 1.00 O ATOM 524 CB GLN A 37 -11.099 -9.059 2.892 1.00 1.00 C ATOM 525 CG GLN A 37 -11.639 -10.195 3.762 1.00 1.00 C ATOM 526 CD GLN A 37 -10.508 -10.808 4.575 1.00 1.00 C ATOM 527 OE1 GLN A 37 -10.247 -10.388 5.703 1.00 1.00 O ATOM 528 NE2 GLN A 37 -9.811 -11.781 4.056 1.00 1.00 N ATOM 0 H GLN A 37 -11.710 -10.008 0.355 1.00 1.00 H new ATOM 0 HA GLN A 37 -13.075 -8.349 2.407 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.196 -9.381 2.373 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.823 -8.208 3.515 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.414 -9.817 4.429 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -12.102 -10.957 3.135 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -10.032 -12.125 3.121 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -9.045 -12.198 4.585 1.00 1.00 H new ATOM 537 N SER A 38 -11.975 -6.259 1.529 1.00 1.00 N ATOM 538 CA SER A 38 -11.552 -5.033 0.845 1.00 1.00 C ATOM 539 C SER A 38 -10.647 -4.212 1.752 1.00 1.00 C ATOM 540 O SER A 38 -10.987 -3.928 2.900 1.00 1.00 O ATOM 541 CB SER A 38 -12.770 -4.206 0.439 1.00 1.00 C ATOM 542 OG SER A 38 -13.690 -5.038 -0.255 1.00 1.00 O ATOM 0 H SER A 38 -12.516 -6.101 2.379 1.00 1.00 H new ATOM 0 HA SER A 38 -10.998 -5.309 -0.053 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.244 -3.777 1.322 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.464 -3.374 -0.195 1.00 1.00 H new ATOM 0 HG SER A 38 -14.474 -4.512 -0.516 1.00 1.00 H new ATOM 548 N ARG A 39 -9.484 -3.839 1.223 1.00 1.00 N ATOM 549 CA ARG A 39 -8.507 -3.053 1.974 1.00 1.00 C ATOM 550 C ARG A 39 -7.965 -1.906 1.125 1.00 1.00 C ATOM 551 O ARG A 39 -8.024 -1.940 -0.102 1.00 1.00 O ATOM 552 CB ARG A 39 -7.355 -3.952 2.422 1.00 1.00 C ATOM 553 CG ARG A 39 -7.824 -4.870 3.556 1.00 1.00 C ATOM 554 CD ARG A 39 -6.684 -5.812 3.960 1.00 1.00 C ATOM 555 NE ARG A 39 -7.087 -6.629 5.101 1.00 1.00 N ATOM 556 CZ ARG A 39 -7.759 -7.766 4.939 1.00 1.00 C ATOM 557 NH1 ARG A 39 -8.068 -8.176 3.740 1.00 1.00 N ATOM 558 NH2 ARG A 39 -8.108 -8.471 5.981 1.00 1.00 N ATOM 0 H ARG A 39 -9.194 -4.070 0.273 1.00 1.00 H new ATOM 0 HA ARG A 39 -9.003 -2.631 2.848 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.999 -4.549 1.582 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.516 -3.343 2.758 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -8.138 -4.274 4.413 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.690 -5.448 3.235 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.417 -6.453 3.120 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.796 -5.233 4.213 1.00 1.00 H new ATOM 0 HE ARG A 39 -6.848 -6.321 6.044 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -7.794 -7.625 2.926 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -8.583 -9.048 3.616 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -7.866 -8.150 6.918 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -8.623 -9.343 5.858 1.00 1.00 H new ATOM 572 N LEU A 40 -7.424 -0.896 1.806 1.00 1.00 N ATOM 573 CA LEU A 40 -6.848 0.280 1.137 1.00 1.00 C ATOM 574 C LEU A 40 -5.366 0.390 1.473 1.00 1.00 C ATOM 575 O LEU A 40 -4.991 0.403 2.645 1.00 1.00 O ATOM 576 CB LEU A 40 -7.599 1.547 1.578 1.00 1.00 C ATOM 577 CG LEU A 40 -6.994 2.798 0.926 1.00 1.00 C ATOM 578 CD1 LEU A 40 -7.210 2.763 -0.592 1.00 1.00 C ATOM 579 CD2 LEU A 40 -7.679 4.036 1.508 1.00 1.00 C ATOM 0 H LEU A 40 -7.371 -0.865 2.824 1.00 1.00 H new ATOM 0 HA LEU A 40 -6.952 0.172 0.057 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.651 1.464 1.307 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.556 1.641 2.663 1.00 1.00 H new ATOM 0 HG LEU A 40 -5.923 2.829 1.127 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -6.776 3.656 -1.042 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -6.730 1.877 -1.008 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -8.278 2.731 -0.807 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -7.258 4.933 1.053 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -8.748 3.992 1.301 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -7.519 4.067 2.586 1.00 1.00 H new ATOM 591 N LEU A 41 -4.514 0.447 0.444 1.00 1.00 N ATOM 592 CA LEU A 41 -3.066 0.529 0.670 1.00 1.00 C ATOM 593 C LEU A 41 -2.408 1.435 -0.362 1.00 1.00 C ATOM 594 O LEU A 41 -2.786 1.428 -1.533 1.00 1.00 O ATOM 595 CB LEU A 41 -2.432 -0.878 0.563 1.00 1.00 C ATOM 596 CG LEU A 41 -3.312 -1.813 -0.279 1.00 1.00 C ATOM 597 CD1 LEU A 41 -3.406 -1.289 -1.721 1.00 1.00 C ATOM 598 CD2 LEU A 41 -2.681 -3.208 -0.289 1.00 1.00 C ATOM 0 H LEU A 41 -4.794 0.438 -0.537 1.00 1.00 H new ATOM 0 HA LEU A 41 -2.906 0.939 1.667 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -1.442 -0.802 0.114 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -2.298 -1.298 1.560 1.00 1.00 H new ATOM 0 HG LEU A 41 -4.313 -1.855 0.150 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.032 -1.958 -2.311 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -3.844 -0.291 -1.718 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -2.408 -1.246 -2.158 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -3.297 -3.882 -0.884 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -1.682 -3.152 -0.722 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -2.614 -3.584 0.732 1.00 1.00 H new ATOM 610 N GLY A 42 -1.410 2.205 0.065 1.00 1.00 N ATOM 611 CA GLY A 42 -0.705 3.090 -0.857 1.00 1.00 C ATOM 612 C GLY A 42 0.771 3.199 -0.495 1.00 1.00 C ATOM 613 O GLY A 42 1.329 2.318 0.159 1.00 1.00 O ATOM 0 H GLY A 42 -1.076 2.235 1.028 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -0.806 2.714 -1.875 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.161 4.080 -0.836 1.00 1.00 H new ATOM 617 N LEU A 43 1.395 4.298 -0.916 1.00 1.00 N ATOM 618 CA LEU A 43 2.809 4.545 -0.633 1.00 1.00 C ATOM 619 C LEU A 43 2.997 5.985 -0.168 1.00 1.00 C ATOM 620 O LEU A 43 2.350 6.896 -0.688 1.00 1.00 O ATOM 621 CB LEU A 43 3.645 4.276 -1.894 1.00 1.00 C ATOM 622 CG LEU A 43 5.129 4.552 -1.625 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.635 3.686 -0.457 1.00 1.00 C ATOM 624 CD2 LEU A 43 5.935 4.232 -2.889 1.00 1.00 C ATOM 0 H LEU A 43 0.942 5.035 -1.457 1.00 1.00 H new ATOM 0 HA LEU A 43 3.143 3.874 0.159 1.00 1.00 H new ATOM 0 HB2 LEU A 43 3.513 3.241 -2.211 1.00 1.00 H new ATOM 0 HB3 LEU A 43 3.294 4.906 -2.711 1.00 1.00 H new ATOM 0 HG LEU A 43 5.254 5.602 -1.359 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.690 3.895 -0.280 1.00 1.00 H new ATOM 0 HD12 LEU A 43 5.063 3.917 0.442 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.510 2.632 -0.705 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.992 4.426 -2.705 1.00 1.00 H new ATOM 0 HD22 LEU A 43 5.799 3.183 -3.151 1.00 1.00 H new ATOM 0 HD23 LEU A 43 5.588 4.859 -3.710 1.00 1.00 H new ATOM 636 N VAL A 44 3.880 6.192 0.812 1.00 1.00 N ATOM 637 CA VAL A 44 4.133 7.538 1.336 1.00 1.00 C ATOM 638 C VAL A 44 5.617 7.879 1.277 1.00 1.00 C ATOM 639 O VAL A 44 6.461 7.112 1.741 1.00 1.00 O ATOM 640 CB VAL A 44 3.655 7.630 2.784 1.00 1.00 C ATOM 641 CG1 VAL A 44 4.501 6.708 3.668 1.00 1.00 C ATOM 642 CG2 VAL A 44 3.794 9.073 3.274 1.00 1.00 C ATOM 0 H VAL A 44 4.427 5.454 1.255 1.00 1.00 H new ATOM 0 HA VAL A 44 3.585 8.249 0.717 1.00 1.00 H new ATOM 0 HB VAL A 44 2.611 7.323 2.839 1.00 1.00 H new ATOM 0 HG11 VAL A 44 4.157 6.777 4.700 1.00 1.00 H new ATOM 0 HG12 VAL A 44 4.402 5.680 3.320 1.00 1.00 H new ATOM 0 HG13 VAL A 44 5.547 7.011 3.614 1.00 1.00 H new ATOM 0 HG21 VAL A 44 3.453 9.141 4.307 1.00 1.00 H new ATOM 0 HG22 VAL A 44 4.839 9.378 3.216 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.189 9.729 2.649 1.00 1.00 H new ATOM 652 N ARG A 45 5.922 9.050 0.720 1.00 1.00 N ATOM 653 CA ARG A 45 7.303 9.522 0.615 1.00 1.00 C ATOM 654 C ARG A 45 7.517 10.681 1.578 1.00 1.00 C ATOM 655 O ARG A 45 6.779 11.663 1.556 1.00 1.00 O ATOM 656 CB ARG A 45 7.597 9.981 -0.817 1.00 1.00 C ATOM 657 CG ARG A 45 9.062 10.419 -0.943 1.00 1.00 C ATOM 658 CD ARG A 45 9.324 10.908 -2.368 1.00 1.00 C ATOM 659 NE ARG A 45 10.743 11.187 -2.560 1.00 1.00 N ATOM 660 CZ ARG A 45 11.166 11.903 -3.598 1.00 1.00 C ATOM 661 NH1 ARG A 45 10.305 12.366 -4.462 1.00 1.00 N ATOM 662 NH2 ARG A 45 12.439 12.143 -3.756 1.00 1.00 N ATOM 0 H ARG A 45 5.230 9.691 0.333 1.00 1.00 H new ATOM 0 HA ARG A 45 7.979 8.706 0.869 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.391 9.170 -1.516 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.938 10.808 -1.084 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.279 11.213 -0.228 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.724 9.586 -0.705 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.996 10.154 -3.084 1.00 1.00 H new ATOM 0 HD3 ARG A 45 8.741 11.808 -2.563 1.00 1.00 H new ATOM 0 HE ARG A 45 11.421 10.828 -1.888 1.00 1.00 H new ATOM 0 HH11 ARG A 45 9.310 12.179 -4.341 1.00 1.00 H new ATOM 0 HH12 ARG A 45 10.627 12.915 -5.259 1.00 1.00 H new ATOM 0 HH21 ARG A 45 13.114 11.781 -3.082 1.00 1.00 H new ATOM 0 HH22 ARG A 45 12.759 12.693 -4.553 1.00 1.00 H new ATOM 676 N TYR A 46 8.531 10.554 2.424 1.00 1.00 N ATOM 677 CA TYR A 46 8.852 11.588 3.407 1.00 1.00 C ATOM 678 C TYR A 46 10.265 12.107 3.159 1.00 1.00 C ATOM 679 O TYR A 46 11.206 11.327 3.013 1.00 1.00 O ATOM 680 CB TYR A 46 8.728 10.990 4.811 1.00 1.00 C ATOM 681 CG TYR A 46 8.884 12.068 5.860 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.939 13.099 5.951 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.960 12.026 6.755 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.072 14.085 6.935 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.094 13.014 7.738 1.00 1.00 C ATOM 686 CZ TYR A 46 9.150 14.043 7.827 1.00 1.00 C ATOM 687 OH TYR A 46 9.282 15.014 8.797 1.00 1.00 O ATOM 0 H TYR A 46 9.149 9.743 2.451 1.00 1.00 H new ATOM 0 HA TYR A 46 8.160 12.425 3.316 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.759 10.504 4.922 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.488 10.222 4.954 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.108 13.132 5.262 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.687 11.231 6.687 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.343 14.879 7.006 1.00 1.00 H new ATOM 0 HE2 TYR A 46 10.925 12.982 8.427 1.00 1.00 H new ATOM 0 HH TYR A 46 10.083 14.835 9.332 1.00 1.00 H new ATOM 697 N ARG A 47 10.404 13.432 3.091 1.00 1.00 N ATOM 698 CA ARG A 47 11.706 14.054 2.834 1.00 1.00 C ATOM 699 C ARG A 47 12.363 14.519 4.128 1.00 1.00 C ATOM 700 O ARG A 47 11.690 14.957 5.059 1.00 1.00 O ATOM 701 CB ARG A 47 11.538 15.247 1.883 1.00 1.00 C ATOM 702 CG ARG A 47 10.655 16.321 2.529 1.00 1.00 C ATOM 703 CD ARG A 47 10.504 17.499 1.563 1.00 1.00 C ATOM 704 NE ARG A 47 9.652 18.531 2.153 1.00 1.00 N ATOM 705 CZ ARG A 47 10.155 19.475 2.943 1.00 1.00 C ATOM 706 NH1 ARG A 47 11.431 19.489 3.217 1.00 1.00 N ATOM 707 NH2 ARG A 47 9.371 20.389 3.446 1.00 1.00 N ATOM 0 H ARG A 47 9.636 14.093 3.209 1.00 1.00 H new ATOM 0 HA ARG A 47 12.351 13.305 2.373 1.00 1.00 H new ATOM 0 HB2 ARG A 47 12.514 15.667 1.639 1.00 1.00 H new ATOM 0 HB3 ARG A 47 11.091 14.914 0.946 1.00 1.00 H new ATOM 0 HG2 ARG A 47 9.676 15.906 2.771 1.00 1.00 H new ATOM 0 HG3 ARG A 47 11.099 16.658 3.466 1.00 1.00 H new ATOM 0 HD2 ARG A 47 11.484 17.916 1.330 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.073 17.155 0.623 1.00 1.00 H new ATOM 0 HE ARG A 47 8.652 18.527 1.954 1.00 1.00 H new ATOM 0 HH11 ARG A 47 12.045 18.775 2.825 1.00 1.00 H new ATOM 0 HH12 ARG A 47 11.815 20.214 3.823 1.00 1.00 H new ATOM 0 HH21 ARG A 47 8.374 20.379 3.233 1.00 1.00 H new ATOM 0 HH22 ARG A 47 9.756 21.114 4.052 1.00 1.00 H new ATOM 721 N LEU A 48 13.694 14.426 4.171 1.00 1.00 N ATOM 722 CA LEU A 48 14.462 14.846 5.346 1.00 1.00 C ATOM 723 C LEU A 48 15.322 16.057 5.008 1.00 1.00 C ATOM 724 O LEU A 48 15.788 16.208 3.879 1.00 1.00 O ATOM 725 CB LEU A 48 15.365 13.703 5.825 1.00 1.00 C ATOM 726 CG LEU A 48 14.524 12.471 6.187 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.457 11.337 6.626 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.550 12.813 7.329 1.00 1.00 C ATOM 0 H LEU A 48 14.263 14.064 3.406 1.00 1.00 H new ATOM 0 HA LEU A 48 13.761 15.110 6.138 1.00 1.00 H new ATOM 0 HB2 LEU A 48 16.081 13.446 5.045 1.00 1.00 H new ATOM 0 HB3 LEU A 48 15.941 14.025 6.692 1.00 1.00 H new ATOM 0 HG LEU A 48 13.948 12.158 5.316 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.866 10.459 6.885 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.137 11.089 5.811 1.00 1.00 H new ATOM 0 HD13 LEU A 48 16.033 11.655 7.495 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.958 11.932 7.578 1.00 1.00 H new ATOM 0 HD22 LEU A 48 14.114 13.131 8.206 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.887 13.618 7.013 1.00 1.00 H new ATOM 740 N GLU A 49 15.525 16.913 6.000 1.00 1.00 N ATOM 741 CA GLU A 49 16.330 18.113 5.815 1.00 1.00 C ATOM 742 C GLU A 49 17.813 17.762 5.786 1.00 1.00 C ATOM 743 O GLU A 49 18.663 18.628 5.574 1.00 1.00 O ATOM 744 CB GLU A 49 16.054 19.096 6.955 1.00 1.00 C ATOM 745 CG GLU A 49 16.414 18.444 8.293 1.00 1.00 C ATOM 746 CD GLU A 49 16.057 19.380 9.443 1.00 1.00 C ATOM 747 OE1 GLU A 49 15.702 20.515 9.169 1.00 1.00 O ATOM 748 OE2 GLU A 49 16.135 18.945 10.580 1.00 1.00 O ATOM 0 H GLU A 49 15.144 16.799 6.939 1.00 1.00 H new ATOM 0 HA GLU A 49 16.062 18.572 4.863 1.00 1.00 H new ATOM 0 HB2 GLU A 49 16.637 20.006 6.814 1.00 1.00 H new ATOM 0 HB3 GLU A 49 15.004 19.387 6.952 1.00 1.00 H new ATOM 0 HG2 GLU A 49 15.880 17.500 8.402 1.00 1.00 H new ATOM 0 HG3 GLU A 49 17.479 18.212 8.319 1.00 1.00 H new ATOM 755 N ASN A 50 18.117 16.482 6.001 1.00 1.00 N ATOM 756 CA ASN A 50 19.503 16.014 6.003 1.00 1.00 C ATOM 757 C ASN A 50 19.868 15.394 4.654 1.00 1.00 C ATOM 758 O ASN A 50 20.951 14.833 4.503 1.00 1.00 O ATOM 759 CB ASN A 50 19.687 14.973 7.109 1.00 1.00 C ATOM 760 CG ASN A 50 19.546 15.636 8.475 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.846 16.819 8.626 1.00 1.00 O ATOM 762 ND2 ASN A 50 19.101 14.938 9.486 1.00 1.00 N ATOM 0 H ASN A 50 17.425 15.753 6.175 1.00 1.00 H new ATOM 0 HA ASN A 50 20.158 16.867 6.182 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.946 14.181 7.001 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.668 14.506 7.021 1.00 1.00 H new ATOM 0 HD21 ASN A 50 19.002 15.374 10.403 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.853 13.957 9.359 1.00 1.00 H new ATOM 769 N ASP A 51 18.941 15.478 3.698 1.00 1.00 N ATOM 770 CA ASP A 51 19.145 14.908 2.369 1.00 1.00 C ATOM 771 C ASP A 51 19.041 13.398 2.461 1.00 1.00 C ATOM 772 O ASP A 51 20.043 12.686 2.443 1.00 1.00 O ATOM 773 CB ASP A 51 20.504 15.310 1.780 1.00 1.00 C ATOM 774 CG ASP A 51 20.734 16.805 1.972 1.00 1.00 C ATOM 775 OD1 ASP A 51 19.756 17.528 2.067 1.00 1.00 O ATOM 776 OD2 ASP A 51 21.887 17.207 2.020 1.00 1.00 O ATOM 0 H ASP A 51 18.039 15.938 3.822 1.00 1.00 H new ATOM 0 HA ASP A 51 18.376 15.298 1.702 1.00 1.00 H new ATOM 0 HB2 ASP A 51 21.301 14.746 2.265 1.00 1.00 H new ATOM 0 HB3 ASP A 51 20.538 15.062 0.719 1.00 1.00 H new ATOM 781 N ALA A 52 17.810 12.925 2.567 1.00 1.00 N ATOM 782 CA ALA A 52 17.554 11.503 2.672 1.00 1.00 C ATOM 783 C ALA A 52 16.057 11.237 2.611 1.00 1.00 C ATOM 784 O ALA A 52 15.286 11.745 3.423 1.00 1.00 O ATOM 785 CB ALA A 52 18.129 10.968 3.985 1.00 1.00 C ATOM 0 H ALA A 52 16.973 13.508 2.582 1.00 1.00 H new ATOM 0 HA ALA A 52 18.036 10.992 1.839 1.00 1.00 H new ATOM 0 HB1 ALA A 52 17.934 9.898 4.059 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.205 11.143 4.009 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.659 11.481 4.824 1.00 1.00 H new ATOM 791 N GLN A 53 15.661 10.437 1.634 1.00 1.00 N ATOM 792 CA GLN A 53 14.256 10.086 1.439 1.00 1.00 C ATOM 793 C GLN A 53 13.919 8.789 2.167 1.00 1.00 C ATOM 794 O GLN A 53 14.753 7.888 2.268 1.00 1.00 O ATOM 795 CB GLN A 53 13.973 9.903 -0.052 1.00 1.00 C ATOM 796 CG GLN A 53 14.241 11.214 -0.793 1.00 1.00 C ATOM 797 CD GLN A 53 13.246 12.281 -0.348 1.00 1.00 C ATOM 798 OE1 GLN A 53 12.035 12.064 -0.405 1.00 1.00 O ATOM 799 NE2 GLN A 53 13.687 13.425 0.097 1.00 1.00 N ATOM 0 H GLN A 53 16.295 10.014 0.957 1.00 1.00 H new ATOM 0 HA GLN A 53 13.643 10.892 1.842 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.602 9.110 -0.457 1.00 1.00 H new ATOM 0 HB3 GLN A 53 12.938 9.595 -0.200 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.259 11.550 -0.596 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.160 11.056 -1.868 1.00 1.00 H new ATOM 0 HE21 GLN A 53 14.691 13.602 0.143 1.00 1.00 H new ATOM 0 HE22 GLN A 53 13.028 14.143 0.399 1.00 1.00 H new ATOM 808 N GLU A 54 12.686 8.693 2.659 1.00 1.00 N ATOM 809 CA GLU A 54 12.228 7.497 3.368 1.00 1.00 C ATOM 810 C GLU A 54 10.855 7.076 2.851 1.00 1.00 C ATOM 811 O GLU A 54 9.953 7.903 2.709 1.00 1.00 O ATOM 812 CB GLU A 54 12.156 7.779 4.868 1.00 1.00 C ATOM 813 CG GLU A 54 13.574 7.957 5.418 1.00 1.00 C ATOM 814 CD GLU A 54 13.518 8.388 6.879 1.00 1.00 C ATOM 815 OE1 GLU A 54 12.473 8.853 7.300 1.00 1.00 O ATOM 816 OE2 GLU A 54 14.522 8.244 7.557 1.00 1.00 O ATOM 0 H GLU A 54 11.984 9.429 2.580 1.00 1.00 H new ATOM 0 HA GLU A 54 12.935 6.687 3.191 1.00 1.00 H new ATOM 0 HB2 GLU A 54 11.566 8.677 5.053 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.655 6.958 5.381 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.128 7.023 5.327 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.109 8.703 4.831 1.00 1.00 H new ATOM 823 N HIS A 55 10.708 5.784 2.554 1.00 1.00 N ATOM 824 CA HIS A 55 9.447 5.247 2.033 1.00 1.00 C ATOM 825 C HIS A 55 8.928 4.111 2.912 1.00 1.00 C ATOM 826 O HIS A 55 9.707 3.355 3.492 1.00 1.00 O ATOM 827 CB HIS A 55 9.664 4.716 0.615 1.00 1.00 C ATOM 828 CG HIS A 55 9.923 5.854 -0.332 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.159 6.474 -0.425 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.119 6.480 -1.254 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.067 7.424 -1.374 1.00 1.00 C ATOM 832 NE2 HIS A 55 9.845 7.470 -1.912 1.00 1.00 N ATOM 0 H HIS A 55 11.446 5.089 2.665 1.00 1.00 H new ATOM 0 HA HIS A 55 8.712 6.052 2.029 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.506 4.024 0.603 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.787 4.156 0.291 1.00 1.00 H new ATOM 0 HD1 HIS A 55 11.988 6.251 0.126 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.082 6.241 -1.440 1.00 1.00 H new ATOM 0 HE1 HIS A 55 11.882 8.070 -1.665 1.00 1.00 H new ATOM 840 N ALA A 56 7.605 3.995 2.993 1.00 1.00 N ATOM 841 CA ALA A 56 6.967 2.948 3.786 1.00 1.00 C ATOM 842 C ALA A 56 5.606 2.610 3.173 1.00 1.00 C ATOM 843 O ALA A 56 4.921 3.490 2.654 1.00 1.00 O ATOM 844 CB ALA A 56 6.789 3.425 5.231 1.00 1.00 C ATOM 0 H ALA A 56 6.951 4.616 2.517 1.00 1.00 H new ATOM 0 HA ALA A 56 7.594 2.057 3.786 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.312 2.639 5.817 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.764 3.658 5.660 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.164 4.318 5.245 1.00 1.00 H new ATOM 850 N LEU A 57 5.220 1.336 3.220 1.00 1.00 N ATOM 851 CA LEU A 57 3.944 0.918 2.645 1.00 1.00 C ATOM 852 C LEU A 57 2.850 1.010 3.696 1.00 1.00 C ATOM 853 O LEU A 57 2.674 0.105 4.510 1.00 1.00 O ATOM 854 CB LEU A 57 4.057 -0.524 2.131 1.00 1.00 C ATOM 855 CG LEU A 57 2.899 -0.867 1.168 1.00 1.00 C ATOM 856 CD1 LEU A 57 3.270 -2.120 0.366 1.00 1.00 C ATOM 857 CD2 LEU A 57 1.597 -1.128 1.949 1.00 1.00 C ATOM 0 H LEU A 57 5.764 0.585 3.644 1.00 1.00 H new ATOM 0 HA LEU A 57 3.692 1.575 1.813 1.00 1.00 H new ATOM 0 HB2 LEU A 57 5.010 -0.657 1.619 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.049 -1.215 2.974 1.00 1.00 H new ATOM 0 HG LEU A 57 2.737 -0.023 0.498 1.00 1.00 H new ATOM 0 HD11 LEU A 57 2.457 -2.369 -0.316 1.00 1.00 H new ATOM 0 HD12 LEU A 57 4.179 -1.930 -0.205 1.00 1.00 H new ATOM 0 HD13 LEU A 57 3.438 -2.953 1.049 1.00 1.00 H new ATOM 0 HD21 LEU A 57 0.795 -1.368 1.250 1.00 1.00 H new ATOM 0 HD22 LEU A 57 1.744 -1.964 2.633 1.00 1.00 H new ATOM 0 HD23 LEU A 57 1.329 -0.237 2.517 1.00 1.00 H new ATOM 869 N PHE A 58 2.142 2.131 3.690 1.00 1.00 N ATOM 870 CA PHE A 58 1.091 2.362 4.661 1.00 1.00 C ATOM 871 C PHE A 58 -0.142 1.531 4.325 1.00 1.00 C ATOM 872 O PHE A 58 -0.541 1.431 3.165 1.00 1.00 O ATOM 873 CB PHE A 58 0.736 3.861 4.666 1.00 1.00 C ATOM 874 CG PHE A 58 1.670 4.642 5.576 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.993 4.217 5.798 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.198 5.799 6.209 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.827 4.951 6.649 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.038 6.529 7.057 1.00 1.00 C ATOM 879 CZ PHE A 58 3.351 6.104 7.277 1.00 1.00 C ATOM 0 H PHE A 58 2.279 2.891 3.024 1.00 1.00 H new ATOM 0 HA PHE A 58 1.441 2.063 5.649 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.797 4.256 3.652 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.294 3.993 4.998 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.364 3.326 5.313 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.183 6.128 6.042 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.842 4.625 6.821 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.671 7.422 7.542 1.00 1.00 H new ATOM 0 HZ PHE A 58 3.998 6.667 7.933 1.00 1.00 H new ATOM 889 N LEU A 59 -0.747 0.946 5.359 1.00 1.00 N ATOM 890 CA LEU A 59 -1.949 0.136 5.184 1.00 1.00 C ATOM 891 C LEU A 59 -3.127 0.863 5.806 1.00 1.00 C ATOM 892 O LEU A 59 -3.115 1.176 6.997 1.00 1.00 O ATOM 893 CB LEU A 59 -1.783 -1.226 5.870 1.00 1.00 C ATOM 894 CG LEU A 59 -2.859 -2.212 5.354 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.351 -2.934 4.093 1.00 1.00 C ATOM 896 CD2 LEU A 59 -3.184 -3.253 6.440 1.00 1.00 C ATOM 0 H LEU A 59 -0.424 1.019 6.324 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.118 -0.023 4.119 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -0.788 -1.624 5.671 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.871 -1.112 6.950 1.00 1.00 H new ATOM 0 HG LEU A 59 -3.760 -1.649 5.111 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -3.115 -3.626 3.737 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -2.135 -2.201 3.316 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -1.443 -3.488 4.332 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -3.942 -3.942 6.068 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.281 -3.809 6.693 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -3.560 -2.746 7.329 1.00 1.00 H new ATOM 908 N TYR A 60 -4.138 1.133 4.999 1.00 1.00 N ATOM 909 CA TYR A 60 -5.329 1.827 5.472 1.00 1.00 C ATOM 910 C TYR A 60 -6.531 0.898 5.422 1.00 1.00 C ATOM 911 O TYR A 60 -6.831 0.326 4.377 1.00 1.00 O ATOM 912 CB TYR A 60 -5.608 3.032 4.567 1.00 1.00 C ATOM 913 CG TYR A 60 -4.595 4.131 4.810 1.00 1.00 C ATOM 914 CD1 TYR A 60 -4.838 5.086 5.804 1.00 1.00 C ATOM 915 CD2 TYR A 60 -3.432 4.214 4.028 1.00 1.00 C ATOM 916 CE1 TYR A 60 -3.923 6.123 6.018 1.00 1.00 C ATOM 917 CE2 TYR A 60 -2.516 5.251 4.247 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.763 6.206 5.240 1.00 1.00 C ATOM 919 OH TYR A 60 -1.863 7.231 5.451 1.00 1.00 O ATOM 0 H TYR A 60 -4.160 0.883 4.010 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.161 2.153 6.498 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.574 2.724 3.522 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.613 3.409 4.755 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -5.732 5.023 6.406 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -3.244 3.480 3.259 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -4.112 6.860 6.784 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -1.619 5.314 3.649 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.112 7.141 4.827 1.00 1.00 H new ATOM 929 N THR A 61 -7.244 0.760 6.535 1.00 1.00 N ATOM 930 CA THR A 61 -8.431 -0.082 6.539 1.00 1.00 C ATOM 931 C THR A 61 -9.600 0.761 6.075 1.00 1.00 C ATOM 932 O THR A 61 -9.528 1.989 6.085 1.00 1.00 O ATOM 933 CB THR A 61 -8.727 -0.648 7.933 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.861 -1.503 7.854 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.015 0.489 8.912 1.00 1.00 C ATOM 0 H THR A 61 -7.027 1.209 7.425 1.00 1.00 H new ATOM 0 HA THR A 61 -8.266 -0.930 5.875 1.00 1.00 H new ATOM 0 HB THR A 61 -7.861 -1.208 8.287 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.056 -1.871 8.741 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.224 0.075 9.899 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.148 1.147 8.970 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.879 1.057 8.566 1.00 1.00 H new ATOM 943 N HIS A 62 -10.674 0.112 5.680 1.00 1.00 N ATOM 944 CA HIS A 62 -11.846 0.834 5.227 1.00 1.00 C ATOM 945 C HIS A 62 -13.059 -0.084 5.245 1.00 1.00 C ATOM 946 O HIS A 62 -12.926 -1.307 5.240 1.00 1.00 O ATOM 947 CB HIS A 62 -11.598 1.413 3.826 1.00 1.00 C ATOM 948 CG HIS A 62 -11.686 0.335 2.790 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.878 -0.012 2.186 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.733 -0.475 2.239 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.618 -0.997 1.312 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.321 -1.321 1.303 1.00 1.00 N ATOM 0 H HIS A 62 -10.762 -0.904 5.663 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.045 1.666 5.902 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.331 2.191 3.613 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.615 1.882 3.789 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.791 0.405 2.370 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.683 -0.461 2.492 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.365 -1.470 0.692 1.00 1.00 H new ATOM 960 N ARG A 63 -14.236 0.514 5.282 1.00 1.00 N ATOM 961 CA ARG A 63 -15.466 -0.265 5.321 1.00 1.00 C ATOM 962 C ARG A 63 -15.769 -0.858 3.959 1.00 1.00 C ATOM 963 O ARG A 63 -14.958 -0.790 3.041 1.00 1.00 O ATOM 964 CB ARG A 63 -16.650 0.597 5.770 1.00 1.00 C ATOM 965 CG ARG A 63 -16.449 1.012 7.225 1.00 1.00 C ATOM 966 CD ARG A 63 -17.617 1.889 7.680 1.00 1.00 C ATOM 967 NE ARG A 63 -18.869 1.136 7.648 1.00 1.00 N ATOM 968 CZ ARG A 63 -20.027 1.725 7.944 1.00 1.00 C ATOM 969 NH1 ARG A 63 -20.052 3.004 8.198 1.00 1.00 N ATOM 970 NH2 ARG A 63 -21.139 1.035 7.964 1.00 1.00 N ATOM 0 H ARG A 63 -14.369 1.525 5.286 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.320 -1.070 6.041 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.733 1.480 5.136 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.581 0.040 5.664 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.378 0.128 7.858 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.511 1.556 7.331 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.432 2.255 8.690 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.696 2.763 7.034 1.00 1.00 H new ATOM 0 HE ARG A 63 -18.856 0.148 7.396 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -19.189 3.547 8.169 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -20.935 3.462 8.425 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.124 0.037 7.752 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -22.021 1.495 8.192 1.00 1.00 H new ATOM 984 N ARG A 64 -16.947 -1.441 3.839 1.00 1.00 N ATOM 985 CA ARG A 64 -17.356 -2.047 2.589 1.00 1.00 C ATOM 986 C ARG A 64 -17.631 -0.977 1.541 1.00 1.00 C ATOM 987 O ARG A 64 -17.637 -1.263 0.343 1.00 1.00 O ATOM 988 CB ARG A 64 -18.610 -2.890 2.816 1.00 1.00 C ATOM 989 CG ARG A 64 -19.739 -1.999 3.335 1.00 1.00 C ATOM 990 CD ARG A 64 -20.975 -2.852 3.602 1.00 1.00 C ATOM 991 NE ARG A 64 -20.718 -3.776 4.699 1.00 1.00 N ATOM 992 CZ ARG A 64 -21.621 -4.682 5.055 1.00 1.00 C ATOM 993 NH1 ARG A 64 -22.756 -4.753 4.418 1.00 1.00 N ATOM 994 NH2 ARG A 64 -21.371 -5.501 6.040 1.00 1.00 N ATOM 0 H ARG A 64 -17.634 -1.507 4.590 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.550 -2.685 2.226 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -18.911 -3.371 1.885 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -18.402 -3.685 3.532 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -19.428 -1.494 4.249 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -19.970 -1.223 2.605 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -21.822 -2.212 3.847 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -21.244 -3.408 2.704 1.00 1.00 H new ATOM 0 HE ARG A 64 -19.831 -3.726 5.201 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -22.949 -4.113 3.647 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -23.451 -5.448 4.690 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -20.482 -5.445 6.537 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -22.065 -6.197 6.313 1.00 1.00 H new ATOM 1008 N MET A 65 -17.865 0.259 1.989 1.00 1.00 N ATOM 1009 CA MET A 65 -18.149 1.357 1.068 1.00 1.00 C ATOM 1010 C MET A 65 -17.666 2.683 1.652 1.00 1.00 C ATOM 1011 O MET A 65 -18.254 3.734 1.397 1.00 1.00 O ATOM 1012 CB MET A 65 -19.657 1.435 0.817 1.00 1.00 C ATOM 1013 CG MET A 65 -20.376 1.762 2.131 1.00 1.00 C ATOM 1014 SD MET A 65 -22.164 1.607 1.902 1.00 1.00 S ATOM 1015 CE MET A 65 -22.646 2.107 3.575 1.00 1.00 C ATOM 0 H MET A 65 -17.863 0.521 2.975 1.00 1.00 H new ATOM 0 HA MET A 65 -17.625 1.172 0.130 1.00 1.00 H new ATOM 0 HB2 MET A 65 -19.874 2.200 0.071 1.00 1.00 H new ATOM 0 HB3 MET A 65 -20.020 0.488 0.417 1.00 1.00 H new ATOM 0 HG2 MET A 65 -20.041 1.087 2.918 1.00 1.00 H new ATOM 0 HG3 MET A 65 -20.127 2.774 2.451 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.732 2.084 3.663 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.208 1.421 4.300 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.288 3.118 3.770 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.597 2.628 2.438 1.00 1.00 N ATOM 1026 CA ALA A 66 -16.056 3.838 3.048 1.00 1.00 C ATOM 1027 C ALA A 66 -15.449 4.750 1.979 1.00 1.00 C ATOM 1028 O ALA A 66 -15.796 5.920 1.925 1.00 1.00 O ATOM 1029 CB ALA A 66 -15.000 3.462 4.101 1.00 1.00 C ATOM 0 H ALA A 66 -16.093 1.771 2.666 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.865 4.380 3.538 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -14.599 4.369 4.554 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -15.459 2.844 4.872 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -14.192 2.907 3.624 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.562 4.173 1.146 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.872 4.869 0.044 1.00 1.00 C ATOM 1037 C ILE A 67 -13.704 6.362 0.295 1.00 1.00 C ATOM 1038 O ILE A 67 -12.593 6.890 0.315 1.00 1.00 O ATOM 1039 CB ILE A 67 -14.666 4.672 -1.256 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -14.675 3.188 -1.641 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -14.020 5.483 -2.387 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -15.692 2.961 -2.764 1.00 1.00 C ATOM 0 H ILE A 67 -14.300 3.190 1.222 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.875 4.436 -0.031 1.00 1.00 H new ATOM 0 HB ILE A 67 -15.689 5.014 -1.100 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -13.682 2.879 -1.967 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -14.930 2.578 -0.775 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -14.587 5.340 -3.307 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -14.019 6.540 -2.122 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -12.994 5.146 -2.537 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -15.700 1.906 -3.040 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -16.684 3.254 -2.421 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -15.416 3.561 -3.631 1.00 1.00 H new ATOM 1054 N THR A 68 -14.833 7.016 0.440 1.00 1.00 N ATOM 1055 CA THR A 68 -14.901 8.446 0.645 1.00 1.00 C ATOM 1056 C THR A 68 -13.661 9.015 1.346 1.00 1.00 C ATOM 1057 O THR A 68 -13.250 10.138 1.053 1.00 1.00 O ATOM 1058 CB THR A 68 -16.152 8.785 1.456 1.00 1.00 C ATOM 1059 OG1 THR A 68 -17.284 8.181 0.845 1.00 1.00 O ATOM 1060 CG2 THR A 68 -16.340 10.302 1.504 1.00 1.00 C ATOM 0 H THR A 68 -15.746 6.562 0.419 1.00 1.00 H new ATOM 0 HA THR A 68 -14.944 8.908 -0.341 1.00 1.00 H new ATOM 0 HB THR A 68 -16.041 8.407 2.472 1.00 1.00 H new ATOM 0 HG1 THR A 68 -18.088 8.394 1.363 1.00 1.00 H new ATOM 0 HG21 THR A 68 -17.232 10.540 2.083 1.00 1.00 H new ATOM 0 HG22 THR A 68 -15.470 10.762 1.973 1.00 1.00 H new ATOM 0 HG23 THR A 68 -16.452 10.687 0.490 1.00 1.00 H new ATOM 1068 N GLY A 69 -13.080 8.267 2.281 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.909 8.748 3.019 1.00 1.00 C ATOM 1070 C GLY A 69 -12.349 9.177 4.408 1.00 1.00 C ATOM 1071 O GLY A 69 -11.535 9.398 5.306 1.00 1.00 O ATOM 0 H GLY A 69 -13.395 7.334 2.546 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -11.157 7.962 3.087 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.449 9.585 2.493 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.660 9.282 4.560 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.271 9.679 5.819 1.00 1.00 C ATOM 1077 C ASP A 70 -14.010 8.673 6.933 1.00 1.00 C ATOM 1078 O ASP A 70 -13.752 9.064 8.075 1.00 1.00 O ATOM 1079 CB ASP A 70 -15.787 9.807 5.635 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.109 11.045 4.812 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.232 11.881 4.673 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.227 11.144 4.329 1.00 1.00 O ATOM 0 H ASP A 70 -14.330 9.094 3.814 1.00 1.00 H new ATOM 0 HA ASP A 70 -13.825 10.632 6.104 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.178 8.919 5.139 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.276 9.870 6.607 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.141 7.376 6.636 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.978 6.350 7.684 1.00 1.00 C ATOM 1089 C ASP A 71 -12.803 5.424 7.414 1.00 1.00 C ATOM 1090 O ASP A 71 -12.910 4.214 7.600 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.263 5.519 7.776 1.00 1.00 C ATOM 1092 CG ASP A 71 -15.258 4.670 9.037 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -14.206 4.528 9.630 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -16.309 4.171 9.399 1.00 1.00 O ATOM 0 H ASP A 71 -14.354 7.013 5.707 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.779 6.867 8.623 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -16.131 6.179 7.778 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.352 4.878 6.899 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.670 5.983 6.997 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.488 5.161 6.741 1.00 1.00 C ATOM 1101 C VAL A 72 -9.234 5.826 7.308 1.00 1.00 C ATOM 1102 O VAL A 72 -8.949 6.979 6.989 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.336 4.945 5.232 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -11.707 4.672 4.623 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.716 6.180 4.576 1.00 1.00 C ATOM 0 H VAL A 72 -11.544 6.982 6.831 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.613 4.197 7.235 1.00 1.00 H new ATOM 0 HB VAL A 72 -9.679 4.093 5.058 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -11.604 4.518 3.549 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.136 3.779 5.078 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.362 5.524 4.806 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -9.615 6.010 3.504 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -10.358 7.044 4.748 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.733 6.367 5.008 1.00 1.00 H new ATOM 1115 N SER A 73 -8.484 5.107 8.149 1.00 1.00 N ATOM 1116 CA SER A 73 -7.263 5.662 8.735 1.00 1.00 C ATOM 1117 C SER A 73 -6.232 4.549 8.918 1.00 1.00 C ATOM 1118 O SER A 73 -6.549 3.370 8.764 1.00 1.00 O ATOM 1119 CB SER A 73 -7.572 6.328 10.080 1.00 1.00 C ATOM 1120 OG SER A 73 -8.505 7.384 9.871 1.00 1.00 O ATOM 0 H SER A 73 -8.698 4.152 8.436 1.00 1.00 H new ATOM 0 HA SER A 73 -6.857 6.419 8.064 1.00 1.00 H new ATOM 0 HB2 SER A 73 -7.981 5.597 10.777 1.00 1.00 H new ATOM 0 HB3 SER A 73 -6.657 6.717 10.527 1.00 1.00 H new ATOM 0 HG SER A 73 -8.709 7.814 10.727 1.00 1.00 H new ATOM 1126 N LEU A 74 -4.986 4.927 9.191 1.00 1.00 N ATOM 1127 CA LEU A 74 -3.909 3.946 9.322 1.00 1.00 C ATOM 1128 C LEU A 74 -4.315 2.724 10.141 1.00 1.00 C ATOM 1129 O LEU A 74 -4.841 2.832 11.249 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.674 4.600 9.967 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.904 5.410 8.916 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.938 6.369 9.626 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.118 4.458 7.972 1.00 1.00 C ATOM 0 H LEU A 74 -4.697 5.896 9.325 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.676 3.603 8.314 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -2.982 5.250 10.786 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.027 3.834 10.394 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.609 5.984 8.315 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.388 6.947 8.883 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.503 7.046 10.267 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.236 5.796 10.232 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.576 5.046 7.231 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.411 3.869 8.556 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -1.815 3.790 7.466 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.038 1.555 9.559 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.326 0.269 10.186 1.00 1.00 C ATOM 1147 C ASP A 75 -3.032 -0.372 10.676 1.00 1.00 C ATOM 1148 O ASP A 75 -2.855 -0.584 11.876 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.008 -0.650 9.181 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.329 -1.991 9.834 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -4.903 -2.196 10.959 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -5.993 -2.792 9.198 1.00 1.00 O ATOM 0 H ASP A 75 -3.607 1.476 8.638 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.989 0.427 11.037 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -5.924 -0.186 8.815 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -4.361 -0.802 8.317 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.117 -0.670 9.746 1.00 1.00 N ATOM 1158 CA GLN A 76 -0.834 -1.272 10.111 1.00 1.00 C ATOM 1159 C GLN A 76 0.251 -0.855 9.118 1.00 1.00 C ATOM 1160 O GLN A 76 0.175 -1.164 7.931 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.926 -2.799 10.117 1.00 1.00 C ATOM 1162 CG GLN A 76 0.305 -3.372 10.834 1.00 1.00 C ATOM 1163 CD GLN A 76 0.537 -4.814 10.414 1.00 1.00 C ATOM 1164 OE1 GLN A 76 1.443 -5.073 9.514 1.00 1.00 O flip ATOM 1165 NE2 GLN A 76 -0.123 -5.726 10.914 1.00 1.00 N flip ATOM 0 H GLN A 76 -2.241 -0.506 8.747 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.580 -0.921 11.111 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.838 -3.119 10.621 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.977 -3.177 9.096 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.184 -2.772 10.598 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.163 -3.319 11.913 1.00 1.00 H new ATOM 0 HE21 GLN A 76 -0.831 -5.517 11.618 1.00 1.00 H new ATOM 0 HE22 GLN A 76 0.038 -6.691 10.624 1.00 1.00 H new ATOM 1174 N ILE A 77 1.255 -0.150 9.608 1.00 1.00 N ATOM 1175 CA ILE A 77 2.343 0.313 8.751 1.00 1.00 C ATOM 1176 C ILE A 77 3.359 -0.795 8.518 1.00 1.00 C ATOM 1177 O ILE A 77 3.896 -1.372 9.462 1.00 1.00 O ATOM 1178 CB ILE A 77 3.038 1.503 9.416 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.025 2.645 9.575 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.246 1.975 8.561 1.00 1.00 C ATOM 1181 CD1 ILE A 77 2.627 3.734 10.470 1.00 1.00 C ATOM 0 H ILE A 77 1.344 0.116 10.589 1.00 1.00 H new ATOM 0 HA ILE A 77 1.925 0.610 7.789 1.00 1.00 H new ATOM 0 HB ILE A 77 3.412 1.203 10.395 1.00 1.00 H new ATOM 0 HG12 ILE A 77 1.770 3.059 8.599 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.100 2.268 10.013 1.00 1.00 H new ATOM 0 HG21 ILE A 77 4.728 2.822 9.049 1.00 1.00 H new ATOM 0 HG22 ILE A 77 4.961 1.159 8.460 1.00 1.00 H new ATOM 0 HG23 ILE A 77 3.897 2.276 7.573 1.00 1.00 H new ATOM 0 HD11 ILE A 77 1.910 4.547 10.586 1.00 1.00 H new ATOM 0 HD12 ILE A 77 2.859 3.313 11.448 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.540 4.117 10.013 1.00 1.00 H new ATOM 1193 N VAL A 78 3.629 -1.071 7.244 1.00 1.00 N ATOM 1194 CA VAL A 78 4.598 -2.095 6.861 1.00 1.00 C ATOM 1195 C VAL A 78 5.840 -1.412 6.272 1.00 1.00 C ATOM 1196 O VAL A 78 5.878 -1.139 5.072 1.00 1.00 O ATOM 1197 CB VAL A 78 3.982 -3.027 5.812 1.00 1.00 C ATOM 1198 CG1 VAL A 78 4.863 -4.268 5.654 1.00 1.00 C ATOM 1199 CG2 VAL A 78 2.579 -3.455 6.260 1.00 1.00 C ATOM 0 H VAL A 78 3.188 -0.597 6.456 1.00 1.00 H new ATOM 0 HA VAL A 78 4.877 -2.680 7.738 1.00 1.00 H new ATOM 0 HB VAL A 78 3.913 -2.501 4.860 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.426 -4.932 4.908 1.00 1.00 H new ATOM 0 HG12 VAL A 78 5.860 -3.968 5.333 1.00 1.00 H new ATOM 0 HG13 VAL A 78 4.931 -4.790 6.609 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.144 -4.118 5.512 1.00 1.00 H new ATOM 0 HG22 VAL A 78 2.646 -3.979 7.214 1.00 1.00 H new ATOM 0 HG23 VAL A 78 1.949 -2.573 6.374 1.00 1.00 H new ATOM 1209 N PRO A 79 6.839 -1.093 7.074 1.00 1.00 N ATOM 1210 CA PRO A 79 8.058 -0.384 6.573 1.00 1.00 C ATOM 1211 C PRO A 79 8.946 -1.257 5.708 1.00 1.00 C ATOM 1212 O PRO A 79 9.105 -2.453 5.957 1.00 1.00 O ATOM 1213 CB PRO A 79 8.780 0.050 7.854 1.00 1.00 C ATOM 1214 CG PRO A 79 8.369 -0.952 8.883 1.00 1.00 C ATOM 1215 CD PRO A 79 6.938 -1.371 8.526 1.00 1.00 C ATOM 0 HA PRO A 79 7.795 0.449 5.921 1.00 1.00 H new ATOM 0 HB2 PRO A 79 9.861 0.055 7.716 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.492 1.059 8.148 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.039 -1.812 8.878 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.410 -0.522 9.884 1.00 1.00 H new ATOM 0 HD2 PRO A 79 6.764 -2.425 8.744 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.201 -0.802 9.093 1.00 1.00 H new ATOM 1223 N LEU A 80 9.522 -0.641 4.686 1.00 1.00 N ATOM 1224 CA LEU A 80 10.390 -1.349 3.776 1.00 1.00 C ATOM 1225 C LEU A 80 11.645 -1.836 4.488 1.00 1.00 C ATOM 1226 O LEU A 80 12.285 -1.107 5.245 1.00 1.00 O ATOM 1227 CB LEU A 80 10.777 -0.419 2.622 1.00 1.00 C ATOM 1228 CG LEU A 80 9.555 -0.157 1.729 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.876 0.990 0.767 1.00 1.00 C ATOM 1230 CD2 LEU A 80 9.183 -1.423 0.926 1.00 1.00 C ATOM 0 H LEU A 80 9.400 0.349 4.472 1.00 1.00 H new ATOM 0 HA LEU A 80 9.858 -2.219 3.390 1.00 1.00 H new ATOM 0 HB2 LEU A 80 11.160 0.523 3.015 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.578 -0.868 2.035 1.00 1.00 H new ATOM 0 HG LEU A 80 8.706 0.111 2.358 1.00 1.00 H new ATOM 0 HD11 LEU A 80 9.013 1.182 0.129 1.00 1.00 H new ATOM 0 HD12 LEU A 80 10.113 1.888 1.338 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.731 0.717 0.148 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.315 -1.215 0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 80 10.023 -1.714 0.296 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.948 -2.235 1.615 1.00 1.00 H new ATOM 1242 N SER A 81 11.966 -3.092 4.227 1.00 1.00 N ATOM 1243 CA SER A 81 13.138 -3.747 4.817 1.00 1.00 C ATOM 1244 C SER A 81 13.912 -4.500 3.744 1.00 1.00 C ATOM 1245 O SER A 81 13.391 -4.775 2.669 1.00 1.00 O ATOM 1246 CB SER A 81 12.699 -4.716 5.915 1.00 1.00 C ATOM 1247 OG SER A 81 11.732 -5.613 5.388 1.00 1.00 O ATOM 0 H SER A 81 11.427 -3.692 3.602 1.00 1.00 H new ATOM 0 HA SER A 81 13.784 -2.985 5.252 1.00 1.00 H new ATOM 0 HB2 SER A 81 13.559 -5.270 6.293 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.280 -4.165 6.757 1.00 1.00 H new ATOM 0 HG SER A 81 11.449 -6.237 6.088 1.00 1.00 H new ATOM 1253 N LYS A 82 15.170 -4.804 4.021 1.00 1.00 N ATOM 1254 CA LYS A 82 15.998 -5.496 3.043 1.00 1.00 C ATOM 1255 C LYS A 82 15.369 -6.823 2.650 1.00 1.00 C ATOM 1256 O LYS A 82 15.376 -7.198 1.478 1.00 1.00 O ATOM 1257 CB LYS A 82 17.386 -5.741 3.625 1.00 1.00 C ATOM 1258 CG LYS A 82 18.079 -4.399 3.837 1.00 1.00 C ATOM 1259 CD LYS A 82 19.463 -4.633 4.437 1.00 1.00 C ATOM 1260 CE LYS A 82 20.158 -3.287 4.645 1.00 1.00 C ATOM 1261 NZ LYS A 82 21.514 -3.514 5.220 1.00 1.00 N ATOM 0 H LYS A 82 15.636 -4.587 4.902 1.00 1.00 H new ATOM 0 HA LYS A 82 16.079 -4.871 2.154 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.309 -6.278 4.570 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.972 -6.365 2.951 1.00 1.00 H new ATOM 0 HG2 LYS A 82 18.166 -3.868 2.889 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.484 -3.771 4.500 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.376 -5.161 5.387 1.00 1.00 H new ATOM 0 HD3 LYS A 82 20.057 -5.264 3.775 1.00 1.00 H new ATOM 0 HE2 LYS A 82 20.237 -2.756 3.697 1.00 1.00 H new ATOM 0 HE3 LYS A 82 19.568 -2.660 5.313 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 21.988 -2.599 5.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 21.426 -4.004 6.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 22.075 -4.097 4.567 1.00 1.00 H new ATOM 1275 N ASP A 83 14.829 -7.537 3.629 1.00 1.00 N ATOM 1276 CA ASP A 83 14.204 -8.826 3.359 1.00 1.00 C ATOM 1277 C ASP A 83 12.894 -8.645 2.594 1.00 1.00 C ATOM 1278 O ASP A 83 12.193 -9.614 2.304 1.00 1.00 O ATOM 1279 CB ASP A 83 13.941 -9.551 4.679 1.00 1.00 C ATOM 1280 CG ASP A 83 15.254 -10.037 5.285 1.00 1.00 C ATOM 1281 OD1 ASP A 83 16.241 -10.067 4.567 1.00 1.00 O ATOM 1282 OD2 ASP A 83 15.255 -10.370 6.458 1.00 1.00 O ATOM 0 H ASP A 83 14.810 -7.250 4.608 1.00 1.00 H new ATOM 0 HA ASP A 83 14.879 -9.420 2.743 1.00 1.00 H new ATOM 0 HB2 ASP A 83 13.437 -8.881 5.376 1.00 1.00 H new ATOM 0 HB3 ASP A 83 13.275 -10.397 4.511 1.00 1.00 H new ATOM 1287 N PHE A 84 12.581 -7.396 2.256 1.00 1.00 N ATOM 1288 CA PHE A 84 11.368 -7.090 1.506 1.00 1.00 C ATOM 1289 C PHE A 84 11.529 -7.555 0.064 1.00 1.00 C ATOM 1290 O PHE A 84 12.608 -7.447 -0.516 1.00 1.00 O ATOM 1291 CB PHE A 84 11.094 -5.584 1.541 1.00 1.00 C ATOM 1292 CG PHE A 84 9.725 -5.283 0.973 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.534 -5.238 -0.413 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.651 -5.030 1.836 1.00 1.00 C ATOM 1295 CE1 PHE A 84 8.270 -4.940 -0.935 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.388 -4.734 1.314 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.196 -4.689 -0.072 1.00 1.00 C ATOM 0 H PHE A 84 13.150 -6.582 2.490 1.00 1.00 H new ATOM 0 HA PHE A 84 10.525 -7.611 1.961 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.157 -5.220 2.567 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.856 -5.056 0.968 1.00 1.00 H new ATOM 0 HD1 PHE A 84 10.361 -5.433 -1.079 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.799 -5.064 2.905 1.00 1.00 H new ATOM 0 HE1 PHE A 84 8.123 -4.904 -2.004 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.560 -4.540 1.980 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.220 -4.461 -0.475 1.00 1.00 H new ATOM 1307 N MET A 85 10.447 -8.052 -0.513 1.00 1.00 N ATOM 1308 CA MET A 85 10.475 -8.506 -1.898 1.00 1.00 C ATOM 1309 C MET A 85 9.057 -8.736 -2.408 1.00 1.00 C ATOM 1310 O MET A 85 8.193 -9.205 -1.670 1.00 1.00 O ATOM 1311 CB MET A 85 11.289 -9.802 -2.022 1.00 1.00 C ATOM 1312 CG MET A 85 11.400 -10.219 -3.496 1.00 1.00 C ATOM 1313 SD MET A 85 12.328 -8.970 -4.423 1.00 1.00 S ATOM 1314 CE MET A 85 12.416 -9.870 -5.991 1.00 1.00 C ATOM 0 H MET A 85 9.544 -8.152 -0.050 1.00 1.00 H new ATOM 0 HA MET A 85 10.949 -7.733 -2.503 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.284 -9.657 -1.602 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.813 -10.596 -1.447 1.00 1.00 H new ATOM 0 HG2 MET A 85 11.898 -11.186 -3.573 1.00 1.00 H new ATOM 0 HG3 MET A 85 10.405 -10.338 -3.925 1.00 1.00 H new ATOM 0 HE1 MET A 85 12.958 -9.272 -6.724 1.00 1.00 H new ATOM 0 HE2 MET A 85 12.935 -10.816 -5.839 1.00 1.00 H new ATOM 0 HE3 MET A 85 11.408 -10.064 -6.356 1.00 1.00 H new ATOM 1324 N LEU A 86 8.829 -8.426 -3.682 1.00 1.00 N ATOM 1325 CA LEU A 86 7.517 -8.624 -4.298 1.00 1.00 C ATOM 1326 C LEU A 86 7.559 -9.863 -5.187 1.00 1.00 C ATOM 1327 O LEU A 86 8.421 -9.971 -6.059 1.00 1.00 O ATOM 1328 CB LEU A 86 7.146 -7.385 -5.128 1.00 1.00 C ATOM 1329 CG LEU A 86 8.144 -7.201 -6.309 1.00 1.00 C ATOM 1330 CD1 LEU A 86 7.552 -7.775 -7.612 1.00 1.00 C ATOM 1331 CD2 LEU A 86 8.446 -5.706 -6.510 1.00 1.00 C ATOM 0 H LEU A 86 9.534 -8.037 -4.308 1.00 1.00 H new ATOM 0 HA LEU A 86 6.763 -8.767 -3.524 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.132 -7.489 -5.514 1.00 1.00 H new ATOM 0 HB3 LEU A 86 7.157 -6.499 -4.494 1.00 1.00 H new ATOM 0 HG LEU A 86 9.063 -7.735 -6.068 1.00 1.00 H new ATOM 0 HD11 LEU A 86 8.263 -7.637 -8.426 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.350 -8.838 -7.482 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.624 -7.256 -7.850 1.00 1.00 H new ATOM 0 HD21 LEU A 86 9.145 -5.584 -7.338 1.00 1.00 H new ATOM 0 HD22 LEU A 86 7.521 -5.175 -6.735 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.887 -5.298 -5.600 1.00 1.00 H new ATOM 1343 N GLU A 87 6.640 -10.806 -4.960 1.00 1.00 N ATOM 1344 CA GLU A 87 6.603 -12.041 -5.751 1.00 1.00 C ATOM 1345 C GLU A 87 5.308 -12.146 -6.547 1.00 1.00 C ATOM 1346 O GLU A 87 4.212 -12.098 -5.990 1.00 1.00 O ATOM 1347 CB GLU A 87 6.715 -13.257 -4.827 1.00 1.00 C ATOM 1348 CG GLU A 87 8.103 -13.290 -4.187 1.00 1.00 C ATOM 1349 CD GLU A 87 8.203 -14.466 -3.223 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.235 -15.203 -3.118 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.243 -14.613 -2.603 1.00 1.00 O ATOM 0 H GLU A 87 5.918 -10.740 -4.242 1.00 1.00 H new ATOM 0 HA GLU A 87 7.444 -12.017 -6.445 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.948 -13.210 -4.054 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.542 -14.173 -5.392 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.867 -13.376 -4.960 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.290 -12.357 -3.656 1.00 1.00 H new ATOM 1358 N GLU A 88 5.454 -12.308 -7.852 1.00 1.00 N ATOM 1359 CA GLU A 88 4.299 -12.446 -8.729 1.00 1.00 C ATOM 1360 C GLU A 88 3.764 -13.869 -8.637 1.00 1.00 C ATOM 1361 O GLU A 88 4.525 -14.808 -8.403 1.00 1.00 O ATOM 1362 CB GLU A 88 4.697 -12.137 -10.173 1.00 1.00 C ATOM 1363 CG GLU A 88 5.051 -10.655 -10.301 1.00 1.00 C ATOM 1364 CD GLU A 88 5.537 -10.355 -11.715 1.00 1.00 C ATOM 1365 OE1 GLU A 88 5.567 -11.275 -12.516 1.00 1.00 O ATOM 1366 OE2 GLU A 88 5.871 -9.212 -11.975 1.00 1.00 O ATOM 0 H GLU A 88 6.356 -12.347 -8.327 1.00 1.00 H new ATOM 0 HA GLU A 88 3.526 -11.743 -8.419 1.00 1.00 H new ATOM 0 HB2 GLU A 88 5.548 -12.751 -10.466 1.00 1.00 H new ATOM 0 HB3 GLU A 88 3.878 -12.385 -10.848 1.00 1.00 H new ATOM 0 HG2 GLU A 88 4.179 -10.043 -10.070 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.824 -10.394 -9.579 1.00 1.00 H new ATOM 1373 N VAL A 89 2.458 -14.036 -8.826 1.00 1.00 N ATOM 1374 CA VAL A 89 1.864 -15.373 -8.764 1.00 1.00 C ATOM 1375 C VAL A 89 2.057 -16.103 -10.088 1.00 1.00 C ATOM 1376 O VAL A 89 1.884 -15.528 -11.162 1.00 1.00 O ATOM 1377 CB VAL A 89 0.375 -15.293 -8.450 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.159 -16.694 -8.137 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.150 -14.379 -7.243 1.00 1.00 C ATOM 0 H VAL A 89 1.800 -13.281 -9.020 1.00 1.00 H new ATOM 0 HA VAL A 89 2.366 -15.923 -7.968 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.153 -14.887 -9.313 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.224 -16.636 -7.913 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.005 -17.343 -8.999 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.371 -17.102 -7.276 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.916 -14.324 -7.022 1.00 1.00 H new ATOM 0 HG22 VAL A 89 0.680 -14.780 -6.379 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.526 -13.381 -7.468 1.00 1.00 H new ATOM 1389 N SER A 90 2.425 -17.372 -9.990 1.00 1.00 N ATOM 1390 CA SER A 90 2.657 -18.199 -11.171 1.00 1.00 C ATOM 1391 C SER A 90 1.561 -17.967 -12.222 1.00 1.00 C ATOM 1392 O SER A 90 0.422 -18.390 -12.020 1.00 1.00 O ATOM 1393 CB SER A 90 2.664 -19.676 -10.775 1.00 1.00 C ATOM 1394 OG SER A 90 3.869 -19.968 -10.077 1.00 1.00 O ATOM 0 H SER A 90 2.570 -17.855 -9.103 1.00 1.00 H new ATOM 0 HA SER A 90 3.621 -17.923 -11.597 1.00 1.00 H new ATOM 0 HB2 SER A 90 1.802 -19.900 -10.146 1.00 1.00 H new ATOM 0 HB3 SER A 90 2.583 -20.303 -11.663 1.00 1.00 H new ATOM 0 HG SER A 90 3.877 -20.914 -9.820 1.00 1.00 H new ATOM 1533 N SER A 100 -7.977 -7.303 -16.756 1.00 1.00 N ATOM 1534 CA SER A 100 -8.537 -6.160 -16.032 1.00 1.00 C ATOM 1535 C SER A 100 -8.387 -6.387 -14.534 1.00 1.00 C ATOM 1536 O SER A 100 -9.332 -6.210 -13.769 1.00 1.00 O ATOM 1537 CB SER A 100 -10.014 -5.987 -16.386 1.00 1.00 C ATOM 1538 OG SER A 100 -10.671 -7.242 -16.291 1.00 1.00 O ATOM 0 HA SER A 100 -8.000 -5.256 -16.318 1.00 1.00 H new ATOM 0 HB2 SER A 100 -10.479 -5.268 -15.711 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.113 -5.587 -17.395 1.00 1.00 H new ATOM 0 HG SER A 100 -10.093 -7.942 -16.660 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.176 -6.772 -14.140 1.00 1.00 N ATOM 1545 CA ASP A 101 -6.847 -7.030 -12.739 1.00 1.00 C ATOM 1546 C ASP A 101 -5.338 -7.228 -12.609 1.00 1.00 C ATOM 1547 O ASP A 101 -4.673 -7.602 -13.572 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.574 -8.288 -12.235 1.00 1.00 C ATOM 1549 CG ASP A 101 -9.028 -7.974 -11.888 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -9.301 -6.846 -11.514 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -9.848 -8.871 -12.004 1.00 1.00 O ATOM 0 H ASP A 101 -6.395 -6.914 -14.781 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.167 -6.179 -12.137 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.538 -9.065 -12.999 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -7.063 -8.681 -11.356 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.804 -6.986 -11.414 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.368 -7.150 -11.166 1.00 1.00 C ATOM 1558 C VAL A 102 -3.149 -8.106 -10.016 1.00 1.00 C ATOM 1559 O VAL A 102 -3.776 -7.976 -8.979 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.733 -5.809 -10.823 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.228 -5.995 -10.603 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -2.970 -4.828 -11.971 1.00 1.00 C ATOM 0 H VAL A 102 -5.339 -6.677 -10.603 1.00 1.00 H new ATOM 0 HA VAL A 102 -2.906 -7.548 -12.070 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.182 -5.415 -9.911 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -0.775 -5.035 -10.358 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.064 -6.694 -9.783 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -0.773 -6.389 -11.512 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.516 -3.867 -11.728 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -2.521 -5.221 -12.884 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.041 -4.696 -12.121 1.00 1.00 H new ATOM 1572 N THR A 103 -2.239 -9.055 -10.198 1.00 1.00 N ATOM 1573 CA THR A 103 -1.941 -10.023 -9.138 1.00 1.00 C ATOM 1574 C THR A 103 -0.537 -9.791 -8.601 1.00 1.00 C ATOM 1575 O THR A 103 0.455 -10.014 -9.294 1.00 1.00 O ATOM 1576 CB THR A 103 -2.061 -11.451 -9.681 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.210 -11.541 -10.511 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.202 -12.430 -8.513 1.00 1.00 C ATOM 0 H THR A 103 -1.699 -9.179 -11.055 1.00 1.00 H new ATOM 0 HA THR A 103 -2.658 -9.890 -8.328 1.00 1.00 H new ATOM 0 HB THR A 103 -1.170 -11.699 -10.258 1.00 1.00 H new ATOM 0 HG1 THR A 103 -3.290 -12.453 -10.862 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.287 -13.446 -8.898 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.325 -12.358 -7.870 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.094 -12.184 -7.938 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.472 -9.336 -7.352 1.00 1.00 N ATOM 1587 CA VAL A 104 0.799 -9.058 -6.691 1.00 1.00 C ATOM 1588 C VAL A 104 0.773 -9.633 -5.274 1.00 1.00 C ATOM 1589 O VAL A 104 -0.229 -9.522 -4.570 1.00 1.00 O ATOM 1590 CB VAL A 104 1.034 -7.536 -6.648 1.00 1.00 C ATOM 1591 CG1 VAL A 104 0.148 -6.894 -5.574 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.505 -7.257 -6.328 1.00 1.00 C ATOM 0 H VAL A 104 -1.292 -9.151 -6.774 1.00 1.00 H new ATOM 0 HA VAL A 104 1.613 -9.524 -7.246 1.00 1.00 H new ATOM 0 HB VAL A 104 0.780 -7.110 -7.619 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.323 -5.818 -5.553 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.900 -7.087 -5.804 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.390 -7.320 -4.600 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.673 -6.180 -6.297 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.755 -7.691 -5.360 1.00 1.00 H new ATOM 0 HG23 VAL A 104 3.135 -7.701 -7.099 1.00 1.00 H new ATOM 1602 N GLN A 105 1.880 -10.247 -4.864 1.00 1.00 N ATOM 1603 CA GLN A 105 1.982 -10.842 -3.525 1.00 1.00 C ATOM 1604 C GLN A 105 3.166 -10.247 -2.773 1.00 1.00 C ATOM 1605 O GLN A 105 4.312 -10.443 -3.174 1.00 1.00 O ATOM 1606 CB GLN A 105 2.168 -12.361 -3.663 1.00 1.00 C ATOM 1607 CG GLN A 105 1.821 -13.058 -2.347 1.00 1.00 C ATOM 1608 CD GLN A 105 2.840 -12.687 -1.278 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.003 -13.069 -1.368 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.469 -11.949 -0.271 1.00 1.00 N ATOM 0 H GLN A 105 2.719 -10.348 -5.435 1.00 1.00 H new ATOM 0 HA GLN A 105 1.070 -10.630 -2.966 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.532 -12.741 -4.463 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.198 -12.585 -3.941 1.00 1.00 H new ATOM 0 HG2 GLN A 105 0.821 -12.768 -2.025 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.809 -14.138 -2.490 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.502 -11.633 -0.199 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.146 -11.687 0.446 1.00 1.00 H new ATOM 1619 N LEU A 106 2.904 -9.501 -1.696 1.00 1.00 N ATOM 1620 CA LEU A 106 3.986 -8.882 -0.936 1.00 1.00 C ATOM 1621 C LEU A 106 4.654 -9.893 -0.014 1.00 1.00 C ATOM 1622 O LEU A 106 4.010 -10.475 0.845 1.00 1.00 O ATOM 1623 CB LEU A 106 3.416 -7.751 -0.083 1.00 1.00 C ATOM 1624 CG LEU A 106 2.634 -6.772 -0.965 1.00 1.00 C ATOM 1625 CD1 LEU A 106 1.963 -5.727 -0.072 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.583 -6.078 -1.955 1.00 1.00 C ATOM 0 H LEU A 106 1.967 -9.315 -1.338 1.00 1.00 H new ATOM 0 HA LEU A 106 4.726 -8.502 -1.641 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.763 -8.160 0.688 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.224 -7.227 0.428 1.00 1.00 H new ATOM 0 HG LEU A 106 1.878 -7.316 -1.531 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.404 -5.025 -0.690 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.283 -6.223 0.620 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.724 -5.187 0.492 1.00 1.00 H new ATOM 0 HD21 LEU A 106 3.017 -5.385 -2.577 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.347 -5.530 -1.403 1.00 1.00 H new ATOM 0 HD23 LEU A 106 4.059 -6.827 -2.588 1.00 1.00 H new ATOM 1638 N ASN A 107 5.947 -10.103 -0.220 1.00 1.00 N ATOM 1639 CA ASN A 107 6.703 -11.072 0.587 1.00 1.00 C ATOM 1640 C ASN A 107 7.645 -10.396 1.584 1.00 1.00 C ATOM 1641 O ASN A 107 8.864 -10.457 1.426 1.00 1.00 O ATOM 1642 CB ASN A 107 7.506 -11.984 -0.335 1.00 1.00 C ATOM 1643 CG ASN A 107 6.676 -12.339 -1.559 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.382 -11.408 -2.421 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.285 -13.494 -1.733 1.00 1.00 N flip ATOM 0 H ASN A 107 6.498 -9.623 -0.932 1.00 1.00 H new ATOM 0 HA ASN A 107 5.981 -11.650 1.163 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.427 -11.488 -0.640 1.00 1.00 H new ATOM 0 HB3 ASN A 107 7.794 -12.891 0.196 1.00 1.00 H new ATOM 0 HD21 ASN A 107 6.518 -14.219 -1.055 1.00 1.00 H new ATOM 0 HD22 ASN A 107 5.728 -13.725 -2.556 1.00 1.00 H new ATOM 1652 N THR A 108 7.087 -9.758 2.614 1.00 1.00 N ATOM 1653 CA THR A 108 7.920 -9.097 3.613 1.00 1.00 C ATOM 1654 C THR A 108 8.558 -10.137 4.530 1.00 1.00 C ATOM 1655 O THR A 108 8.175 -11.306 4.520 1.00 1.00 O ATOM 1656 CB THR A 108 7.084 -8.118 4.444 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.282 -7.329 3.577 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.000 -7.202 5.263 1.00 1.00 C ATOM 0 H THR A 108 6.082 -9.686 2.775 1.00 1.00 H new ATOM 0 HA THR A 108 8.704 -8.541 3.099 1.00 1.00 H new ATOM 0 HB THR A 108 6.447 -8.684 5.124 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.854 -6.715 3.070 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.394 -6.511 5.849 1.00 1.00 H new ATOM 0 HG22 THR A 108 8.613 -7.805 5.933 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.646 -6.637 4.590 1.00 1.00 H new ATOM 1666 N ALA A 109 9.541 -9.702 5.308 1.00 1.00 N ATOM 1667 CA ALA A 109 10.244 -10.598 6.219 1.00 1.00 C ATOM 1668 C ALA A 109 9.277 -11.519 6.960 1.00 1.00 C ATOM 1669 O ALA A 109 9.600 -12.676 7.232 1.00 1.00 O ATOM 1670 CB ALA A 109 11.039 -9.781 7.237 1.00 1.00 C ATOM 0 H ALA A 109 9.869 -8.737 5.327 1.00 1.00 H new ATOM 0 HA ALA A 109 10.917 -11.215 5.624 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.562 -10.455 7.915 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.764 -9.156 6.716 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.358 -9.149 7.807 1.00 1.00 H new ATOM 1676 N GLU A 110 8.091 -11.006 7.288 1.00 1.00 N ATOM 1677 CA GLU A 110 7.087 -11.803 8.003 1.00 1.00 C ATOM 1678 C GLU A 110 5.711 -11.633 7.374 1.00 1.00 C ATOM 1679 O GLU A 110 4.904 -12.565 7.367 1.00 1.00 O ATOM 1680 CB GLU A 110 7.034 -11.375 9.471 1.00 1.00 C ATOM 1681 CG GLU A 110 6.616 -9.905 9.564 1.00 1.00 C ATOM 1682 CD GLU A 110 6.684 -9.434 11.012 1.00 1.00 C ATOM 1683 OE1 GLU A 110 6.394 -10.231 11.889 1.00 1.00 O ATOM 1684 OE2 GLU A 110 7.023 -8.282 11.224 1.00 1.00 O ATOM 0 H GLU A 110 7.801 -10.052 7.074 1.00 1.00 H new ATOM 0 HA GLU A 110 7.373 -12.853 7.937 1.00 1.00 H new ATOM 0 HB2 GLU A 110 6.327 -12.000 10.017 1.00 1.00 H new ATOM 0 HB3 GLU A 110 8.009 -11.516 9.937 1.00 1.00 H new ATOM 0 HG2 GLU A 110 7.270 -9.293 8.943 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.603 -9.781 9.180 1.00 1.00 H new ATOM 1691 N LEU A 111 5.438 -10.439 6.857 1.00 1.00 N ATOM 1692 CA LEU A 111 4.147 -10.170 6.246 1.00 1.00 C ATOM 1693 C LEU A 111 4.057 -10.883 4.904 1.00 1.00 C ATOM 1694 O LEU A 111 5.018 -10.900 4.132 1.00 1.00 O ATOM 1695 CB LEU A 111 3.951 -8.643 6.069 1.00 1.00 C ATOM 1696 CG LEU A 111 2.497 -8.237 6.401 1.00 1.00 C ATOM 1697 CD1 LEU A 111 2.338 -8.054 7.916 1.00 1.00 C ATOM 1698 CD2 LEU A 111 2.155 -6.923 5.689 1.00 1.00 C ATOM 0 H LEU A 111 6.087 -9.652 6.850 1.00 1.00 H new ATOM 0 HA LEU A 111 3.355 -10.544 6.895 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.641 -8.105 6.719 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.189 -8.357 5.044 1.00 1.00 H new ATOM 0 HG LEU A 111 1.821 -9.022 6.062 1.00 1.00 H new ATOM 0 HD11 LEU A 111 1.311 -7.768 8.142 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.574 -8.990 8.422 1.00 1.00 H new ATOM 0 HD13 LEU A 111 3.016 -7.274 8.261 1.00 1.00 H new ATOM 0 HD21 LEU A 111 1.129 -6.638 5.924 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.835 -6.140 6.024 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.257 -7.056 4.612 1.00 1.00 H new ATOM 1710 N LYS A 112 2.895 -11.456 4.623 1.00 1.00 N ATOM 1711 CA LYS A 112 2.685 -12.152 3.363 1.00 1.00 C ATOM 1712 C LYS A 112 1.203 -12.192 3.037 1.00 1.00 C ATOM 1713 O LYS A 112 0.443 -12.939 3.650 1.00 1.00 O ATOM 1714 CB LYS A 112 3.250 -13.572 3.424 1.00 1.00 C ATOM 1715 CG LYS A 112 3.318 -14.147 2.005 1.00 1.00 C ATOM 1716 CD LYS A 112 3.996 -15.517 2.034 1.00 1.00 C ATOM 1717 CE LYS A 112 4.078 -16.072 0.610 1.00 1.00 C ATOM 1718 NZ LYS A 112 4.754 -17.399 0.630 1.00 1.00 N ATOM 0 H LYS A 112 2.088 -11.453 5.247 1.00 1.00 H new ATOM 0 HA LYS A 112 3.211 -11.610 2.577 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.243 -13.562 3.874 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.621 -14.200 4.054 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.314 -14.237 1.590 1.00 1.00 H new ATOM 0 HG3 LYS A 112 3.872 -13.470 1.355 1.00 1.00 H new ATOM 0 HD2 LYS A 112 4.995 -15.432 2.461 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.434 -16.200 2.671 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.078 -16.168 0.188 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.628 -15.382 -0.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 4.809 -17.775 -0.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 5.714 -17.294 1.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.211 -18.056 1.226 1.00 1.00 H new ATOM 1732 N LEU A 113 0.801 -11.372 2.070 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.609 -11.301 1.665 1.00 1.00 C ATOM 1734 C LEU A 113 -0.734 -11.202 0.152 1.00 1.00 C ATOM 1735 O LEU A 113 0.256 -11.039 -0.557 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.287 -10.083 2.302 1.00 1.00 C ATOM 1737 CG LEU A 113 -1.401 -10.265 3.820 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -1.957 -8.978 4.448 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -2.318 -11.465 4.159 1.00 1.00 C ATOM 0 H LEU A 113 1.422 -10.750 1.553 1.00 1.00 H new ATOM 0 HA LEU A 113 -1.099 -12.213 2.006 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.714 -9.183 2.080 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -2.278 -9.944 1.871 1.00 1.00 H new ATOM 0 HG LEU A 113 -0.411 -10.469 4.228 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.039 -9.106 5.527 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -1.285 -8.147 4.231 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.942 -8.766 4.032 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.386 -11.577 5.241 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.313 -11.290 3.749 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -1.902 -12.375 3.725 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.972 -11.292 -0.331 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.252 -11.208 -1.769 1.00 1.00 C ATOM 1753 C VAL A 114 -3.255 -10.090 -2.042 1.00 1.00 C ATOM 1754 O VAL A 114 -4.309 -10.027 -1.407 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.839 -12.541 -2.257 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.332 -12.399 -3.700 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.772 -13.638 -2.188 1.00 1.00 C ATOM 0 H VAL A 114 -2.800 -11.423 0.250 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.323 -10.997 -2.298 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.677 -12.812 -1.615 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.747 -13.349 -4.038 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.102 -11.629 -3.747 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.498 -12.118 -4.343 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.196 -14.580 -2.536 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.928 -13.365 -2.821 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.432 -13.751 -1.158 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.928 -9.204 -2.988 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.810 -8.088 -3.339 1.00 1.00 C ATOM 1769 C PHE A 115 -4.127 -8.078 -4.832 1.00 1.00 C ATOM 1770 O PHE A 115 -3.258 -8.324 -5.669 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.153 -6.758 -2.962 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.118 -6.620 -1.462 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -4.235 -6.126 -0.780 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -1.975 -7.000 -0.755 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -4.208 -6.014 0.613 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -1.943 -6.883 0.636 1.00 1.00 C ATOM 1777 CZ PHE A 115 -3.057 -6.392 1.324 1.00 1.00 C ATOM 0 H PHE A 115 -2.060 -9.238 -3.523 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.739 -8.216 -2.784 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.141 -6.713 -3.365 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.708 -5.929 -3.401 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -5.117 -5.832 -1.329 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -1.116 -7.384 -1.284 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -5.071 -5.637 1.142 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -1.057 -7.172 1.181 1.00 1.00 H new ATOM 0 HZ PHE A 115 -3.032 -6.304 2.400 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.384 -7.770 -5.151 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.844 -7.699 -6.540 1.00 1.00 C ATOM 1789 C GLN A 116 -6.161 -6.251 -6.924 1.00 1.00 C ATOM 1790 O GLN A 116 -7.274 -5.772 -6.705 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.093 -8.565 -6.729 1.00 1.00 C ATOM 1792 CG GLN A 116 -6.707 -10.050 -6.707 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.146 -10.475 -8.062 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.791 -9.567 -8.929 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -6.030 -11.669 -8.340 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.107 -7.564 -4.462 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.048 -8.072 -7.185 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.814 -8.356 -5.939 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.576 -8.320 -7.675 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -5.966 -10.228 -5.928 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.580 -10.655 -6.462 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -6.307 -12.380 -7.663 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -5.657 -11.947 -9.247 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.174 -5.563 -7.498 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.342 -4.167 -7.916 1.00 1.00 C ATOM 1806 C LEU A 117 -5.802 -4.117 -9.386 1.00 1.00 C ATOM 1807 O LEU A 117 -5.516 -5.037 -10.152 1.00 1.00 O ATOM 1808 CB LEU A 117 -3.999 -3.424 -7.748 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.222 -4.001 -6.556 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.920 -3.213 -6.362 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.083 -3.910 -5.284 1.00 1.00 C ATOM 0 H LEU A 117 -4.248 -5.948 -7.685 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.099 -3.684 -7.298 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.406 -3.518 -8.658 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.180 -2.360 -7.594 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.983 -5.046 -6.751 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.369 -3.623 -5.516 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.311 -3.289 -7.263 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.154 -2.166 -6.170 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.529 -4.320 -4.440 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.328 -2.867 -5.085 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -5.002 -4.478 -5.425 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.516 -3.087 -9.793 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.022 -2.964 -11.203 1.00 1.00 C ATOM 1825 C PRO A 118 -5.908 -2.671 -12.217 1.00 1.00 C ATOM 1826 O PRO A 118 -5.031 -1.842 -11.974 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.022 -1.802 -11.116 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.517 -0.958 -9.996 1.00 1.00 C ATOM 1829 CD PRO A 118 -6.921 -1.928 -8.974 1.00 1.00 C ATOM 0 HA PRO A 118 -7.464 -3.894 -11.562 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.061 -1.241 -12.050 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.032 -2.161 -10.918 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.765 -0.251 -10.348 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.323 -0.372 -9.554 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.071 -1.489 -8.452 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.651 -2.209 -8.214 1.00 1.00 H new ATOM 1837 N PHE A 119 -5.940 -3.392 -13.337 1.00 1.00 N ATOM 1838 CA PHE A 119 -4.940 -3.280 -14.401 1.00 1.00 C ATOM 1839 C PHE A 119 -4.610 -1.853 -14.802 1.00 1.00 C ATOM 1840 O PHE A 119 -5.491 -1.018 -15.017 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.454 -4.031 -15.632 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.387 -4.055 -16.700 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -3.319 -4.952 -16.597 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.467 -3.182 -17.792 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -2.330 -4.979 -17.587 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.479 -3.209 -18.783 1.00 1.00 C ATOM 1847 CZ PHE A 119 -2.409 -4.107 -18.680 1.00 1.00 C ATOM 0 H PHE A 119 -6.668 -4.078 -13.534 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.018 -3.709 -14.008 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -5.731 -5.049 -15.359 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.353 -3.548 -16.014 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -3.257 -5.624 -15.754 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.291 -2.488 -17.869 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -1.506 -5.672 -17.508 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -3.542 -2.538 -19.627 1.00 1.00 H new ATOM 0 HZ PHE A 119 -1.645 -4.127 -19.443 1.00 1.00 H new ATOM 1857 N GLY A 120 -3.309 -1.606 -14.918 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.794 -0.305 -15.314 1.00 1.00 C ATOM 1859 C GLY A 120 -3.607 0.829 -14.717 1.00 1.00 C ATOM 1860 O GLY A 120 -3.891 0.845 -13.520 1.00 1.00 O ATOM 0 H GLY A 120 -2.585 -2.302 -14.740 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.755 -0.214 -14.997 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.804 -0.226 -16.401 1.00 1.00 H new ATOM 1864 N SER A 121 -3.974 1.781 -15.563 1.00 1.00 N ATOM 1865 CA SER A 121 -4.750 2.922 -15.113 1.00 1.00 C ATOM 1866 C SER A 121 -4.044 3.617 -13.951 1.00 1.00 C ATOM 1867 O SER A 121 -2.969 4.191 -14.123 1.00 1.00 O ATOM 1868 CB SER A 121 -6.138 2.454 -14.676 1.00 1.00 C ATOM 1869 OG SER A 121 -6.932 3.583 -14.340 1.00 1.00 O ATOM 0 H SER A 121 -3.748 1.784 -16.558 1.00 1.00 H new ATOM 0 HA SER A 121 -4.849 3.632 -15.934 1.00 1.00 H new ATOM 0 HB2 SER A 121 -6.612 1.888 -15.478 1.00 1.00 H new ATOM 0 HB3 SER A 121 -6.055 1.785 -13.819 1.00 1.00 H new ATOM 0 HG SER A 121 -7.823 3.285 -14.061 1.00 1.00 H new ATOM 1875 N HIS A 122 -4.655 3.568 -12.773 1.00 1.00 N ATOM 1876 CA HIS A 122 -4.083 4.203 -11.590 1.00 1.00 C ATOM 1877 C HIS A 122 -3.119 3.257 -10.869 1.00 1.00 C ATOM 1878 O HIS A 122 -2.413 3.665 -9.949 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.210 4.630 -10.642 1.00 1.00 C ATOM 1880 CG HIS A 122 -4.716 5.698 -9.704 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -4.132 6.869 -10.161 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -4.723 5.791 -8.337 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -3.815 7.611 -9.085 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -4.155 7.000 -7.946 1.00 1.00 N ATOM 0 H HIS A 122 -5.545 3.096 -12.611 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.519 5.081 -11.906 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -6.058 5.003 -11.216 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.564 3.770 -10.073 1.00 1.00 H new ATOM 0 HD1 HIS A 122 -3.972 7.122 -11.136 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -5.111 5.040 -7.665 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -3.344 8.581 -9.135 1.00 1.00 H new ATOM 1892 N THR A 123 -3.097 1.991 -11.285 1.00 1.00 N ATOM 1893 CA THR A 123 -2.213 1.006 -10.661 1.00 1.00 C ATOM 1894 C THR A 123 -0.795 1.081 -11.224 1.00 1.00 C ATOM 1895 O THR A 123 0.160 0.780 -10.518 1.00 1.00 O ATOM 1896 CB THR A 123 -2.752 -0.411 -10.885 1.00 1.00 C ATOM 1897 OG1 THR A 123 -4.013 -0.545 -10.249 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.768 -1.435 -10.300 1.00 1.00 C ATOM 0 H THR A 123 -3.674 1.626 -12.043 1.00 1.00 H new ATOM 0 HA THR A 123 -2.182 1.235 -9.596 1.00 1.00 H new ATOM 0 HB THR A 123 -2.865 -0.590 -11.954 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.586 -1.136 -10.781 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.153 -2.442 -10.460 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.801 -1.333 -10.793 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.651 -1.257 -9.231 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.660 1.454 -12.494 1.00 1.00 N ATOM 1907 CA ARG A 124 0.660 1.514 -13.123 1.00 1.00 C ATOM 1908 C ARG A 124 1.609 2.421 -12.352 1.00 1.00 C ATOM 1909 O ARG A 124 2.763 2.070 -12.112 1.00 1.00 O ATOM 1910 CB ARG A 124 0.513 2.051 -14.551 1.00 1.00 C ATOM 1911 CG ARG A 124 1.865 2.024 -15.263 1.00 1.00 C ATOM 1912 CD ARG A 124 1.705 2.574 -16.680 1.00 1.00 C ATOM 1913 NE ARG A 124 0.895 1.667 -17.484 1.00 1.00 N ATOM 1914 CZ ARG A 124 0.624 1.935 -18.758 1.00 1.00 C ATOM 1915 NH1 ARG A 124 1.082 3.026 -19.306 1.00 1.00 N ATOM 1916 NH2 ARG A 124 -0.100 1.105 -19.459 1.00 1.00 N ATOM 0 H ARG A 124 -1.436 1.716 -13.102 1.00 1.00 H new ATOM 0 HA ARG A 124 1.077 0.507 -13.128 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -0.209 1.449 -15.102 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.126 3.070 -14.527 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.591 2.620 -14.710 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.249 1.005 -15.298 1.00 1.00 H new ATOM 0 HD2 ARG A 124 1.237 3.558 -16.645 1.00 1.00 H new ATOM 0 HD3 ARG A 124 2.684 2.703 -17.140 1.00 1.00 H new ATOM 0 HE ARG A 124 0.530 0.813 -17.062 1.00 1.00 H new ATOM 0 HH11 ARG A 124 1.648 3.673 -18.757 1.00 1.00 H new ATOM 0 HH12 ARG A 124 0.874 3.232 -20.283 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -0.457 0.252 -19.029 1.00 1.00 H new ATOM 0 HH22 ARG A 124 -0.308 1.310 -20.436 1.00 1.00 H new ATOM 1930 N THR A 125 1.121 3.591 -11.985 1.00 1.00 N ATOM 1931 CA THR A 125 1.941 4.549 -11.261 1.00 1.00 C ATOM 1932 C THR A 125 2.441 3.931 -9.966 1.00 1.00 C ATOM 1933 O THR A 125 3.588 4.135 -9.569 1.00 1.00 O ATOM 1934 CB THR A 125 1.135 5.812 -10.944 1.00 1.00 C ATOM 1935 OG1 THR A 125 1.728 6.488 -9.845 1.00 1.00 O ATOM 1936 CG2 THR A 125 -0.296 5.425 -10.582 1.00 1.00 C ATOM 0 H THR A 125 0.168 3.901 -12.174 1.00 1.00 H new ATOM 0 HA THR A 125 2.791 4.818 -11.888 1.00 1.00 H new ATOM 0 HB THR A 125 1.128 6.465 -11.816 1.00 1.00 H new ATOM 0 HG1 THR A 125 2.638 6.762 -10.082 1.00 1.00 H new ATOM 0 HG21 THR A 125 -0.870 6.324 -10.356 1.00 1.00 H new ATOM 0 HG22 THR A 125 -0.755 4.903 -11.421 1.00 1.00 H new ATOM 0 HG23 THR A 125 -0.287 4.772 -9.709 1.00 1.00 H new ATOM 1944 N PHE A 126 1.570 3.180 -9.305 1.00 1.00 N ATOM 1945 CA PHE A 126 1.940 2.549 -8.049 1.00 1.00 C ATOM 1946 C PHE A 126 3.153 1.644 -8.240 1.00 1.00 C ATOM 1947 O PHE A 126 4.121 1.738 -7.485 1.00 1.00 O ATOM 1948 CB PHE A 126 0.760 1.733 -7.519 1.00 1.00 C ATOM 1949 CG PHE A 126 1.093 1.180 -6.153 1.00 1.00 C ATOM 1950 CD1 PHE A 126 1.215 2.047 -5.060 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.267 -0.198 -5.972 1.00 1.00 C ATOM 1952 CE1 PHE A 126 1.514 1.538 -3.793 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.567 -0.706 -4.704 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.689 0.162 -3.614 1.00 1.00 C ATOM 0 H PHE A 126 0.615 2.996 -9.614 1.00 1.00 H new ATOM 0 HA PHE A 126 2.199 3.325 -7.329 1.00 1.00 H new ATOM 0 HB2 PHE A 126 -0.130 2.359 -7.461 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.532 0.918 -8.206 1.00 1.00 H new ATOM 0 HD1 PHE A 126 1.078 3.110 -5.196 1.00 1.00 H new ATOM 0 HD2 PHE A 126 1.169 -0.869 -6.813 1.00 1.00 H new ATOM 0 HE1 PHE A 126 1.610 2.208 -2.951 1.00 1.00 H new ATOM 0 HE2 PHE A 126 1.704 -1.768 -4.566 1.00 1.00 H new ATOM 0 HZ PHE A 126 1.918 -0.230 -2.634 1.00 1.00 H new ATOM 1964 N LEU A 127 3.089 0.734 -9.212 1.00 1.00 N ATOM 1965 CA LEU A 127 4.187 -0.205 -9.422 1.00 1.00 C ATOM 1966 C LEU A 127 5.519 0.521 -9.524 1.00 1.00 C ATOM 1967 O LEU A 127 6.480 0.161 -8.843 1.00 1.00 O ATOM 1968 CB LEU A 127 3.981 -0.981 -10.733 1.00 1.00 C ATOM 1969 CG LEU A 127 2.559 -1.534 -10.817 1.00 1.00 C ATOM 1970 CD1 LEU A 127 2.405 -2.339 -12.109 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.276 -2.436 -9.610 1.00 1.00 C ATOM 0 H LEU A 127 2.304 0.629 -9.854 1.00 1.00 H new ATOM 0 HA LEU A 127 4.198 -0.883 -8.568 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.172 -0.326 -11.583 1.00 1.00 H new ATOM 0 HB3 LEU A 127 4.699 -1.799 -10.793 1.00 1.00 H new ATOM 0 HG LEU A 127 1.849 -0.707 -10.815 1.00 1.00 H new ATOM 0 HD11 LEU A 127 1.392 -2.735 -12.172 1.00 1.00 H new ATOM 0 HD12 LEU A 127 2.596 -1.692 -12.965 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.118 -3.164 -12.111 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.260 -2.826 -9.677 1.00 1.00 H new ATOM 0 HD22 LEU A 127 2.983 -3.265 -9.602 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.383 -1.859 -8.692 1.00 1.00 H new ATOM 1983 N GLN A 128 5.592 1.516 -10.398 1.00 1.00 N ATOM 1984 CA GLN A 128 6.830 2.252 -10.602 1.00 1.00 C ATOM 1985 C GLN A 128 7.272 3.001 -9.350 1.00 1.00 C ATOM 1986 O GLN A 128 8.457 3.024 -9.019 1.00 1.00 O ATOM 1987 CB GLN A 128 6.618 3.230 -11.744 1.00 1.00 C ATOM 1988 CG GLN A 128 6.373 2.426 -13.017 1.00 1.00 C ATOM 1989 CD GLN A 128 6.009 3.357 -14.149 1.00 1.00 C ATOM 1990 OE1 GLN A 128 4.758 3.628 -14.351 1.00 1.00 O flip ATOM 1991 NE2 GLN A 128 6.880 3.854 -14.862 1.00 1.00 N flip ATOM 0 H GLN A 128 4.811 1.830 -10.974 1.00 1.00 H new ATOM 0 HA GLN A 128 7.622 1.541 -10.839 1.00 1.00 H new ATOM 0 HB2 GLN A 128 5.769 3.881 -11.535 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.490 3.873 -11.862 1.00 1.00 H new ATOM 0 HG2 GLN A 128 7.266 1.856 -13.275 1.00 1.00 H new ATOM 0 HG3 GLN A 128 5.571 1.706 -12.854 1.00 1.00 H new ATOM 0 HE21 GLN A 128 7.862 3.635 -14.695 1.00 1.00 H new ATOM 0 HE22 GLN A 128 6.620 4.485 -15.620 1.00 1.00 H new ATOM 2000 N GLU A 129 6.321 3.624 -8.665 1.00 1.00 N ATOM 2001 CA GLU A 129 6.642 4.386 -7.462 1.00 1.00 C ATOM 2002 C GLU A 129 7.248 3.482 -6.385 1.00 1.00 C ATOM 2003 O GLU A 129 8.232 3.851 -5.743 1.00 1.00 O ATOM 2004 CB GLU A 129 5.368 5.070 -6.930 1.00 1.00 C ATOM 2005 CG GLU A 129 5.149 6.410 -7.644 1.00 1.00 C ATOM 2006 CD GLU A 129 5.126 6.207 -9.154 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.146 5.809 -9.696 1.00 1.00 O ATOM 2008 OE2 GLU A 129 4.091 6.455 -9.750 1.00 1.00 O ATOM 0 H GLU A 129 5.333 3.618 -8.917 1.00 1.00 H new ATOM 0 HA GLU A 129 7.381 5.145 -7.717 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.506 4.421 -7.086 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.455 5.232 -5.856 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.210 6.855 -7.316 1.00 1.00 H new ATOM 0 HG3 GLU A 129 5.943 7.107 -7.376 1.00 1.00 H new ATOM 2015 N VAL A 130 6.667 2.304 -6.189 1.00 1.00 N ATOM 2016 CA VAL A 130 7.179 1.373 -5.185 1.00 1.00 C ATOM 2017 C VAL A 130 8.579 0.886 -5.568 1.00 1.00 C ATOM 2018 O VAL A 130 9.486 0.846 -4.738 1.00 1.00 O ATOM 2019 CB VAL A 130 6.225 0.180 -5.058 1.00 1.00 C ATOM 2020 CG1 VAL A 130 6.834 -0.884 -4.139 1.00 1.00 C ATOM 2021 CG2 VAL A 130 4.895 0.658 -4.470 1.00 1.00 C ATOM 0 H VAL A 130 5.851 1.972 -6.704 1.00 1.00 H new ATOM 0 HA VAL A 130 7.244 1.889 -4.227 1.00 1.00 H new ATOM 0 HB VAL A 130 6.060 -0.254 -6.044 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.149 -1.728 -4.055 1.00 1.00 H new ATOM 0 HG12 VAL A 130 7.781 -1.226 -4.556 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.006 -0.456 -3.151 1.00 1.00 H new ATOM 0 HG21 VAL A 130 4.213 -0.187 -4.378 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.068 1.094 -3.486 1.00 1.00 H new ATOM 0 HG23 VAL A 130 4.456 1.409 -5.127 1.00 1.00 H new ATOM 2031 N ALA A 131 8.724 0.491 -6.826 1.00 1.00 N ATOM 2032 CA ALA A 131 9.998 -0.028 -7.326 1.00 1.00 C ATOM 2033 C ALA A 131 11.152 0.939 -7.062 1.00 1.00 C ATOM 2034 O ALA A 131 12.217 0.532 -6.601 1.00 1.00 O ATOM 2035 CB ALA A 131 9.896 -0.290 -8.830 1.00 1.00 C ATOM 0 H ALA A 131 7.978 0.519 -7.521 1.00 1.00 H new ATOM 0 HA ALA A 131 10.205 -0.956 -6.793 1.00 1.00 H new ATOM 0 HB1 ALA A 131 10.847 -0.676 -9.197 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.110 -1.021 -9.020 1.00 1.00 H new ATOM 0 HB3 ALA A 131 9.659 0.640 -9.346 1.00 1.00 H new ATOM 2041 N ARG A 132 10.940 2.217 -7.359 1.00 1.00 N ATOM 2042 CA ARG A 132 11.982 3.222 -7.151 1.00 1.00 C ATOM 2043 C ARG A 132 12.123 3.558 -5.668 1.00 1.00 C ATOM 2044 O ARG A 132 13.131 4.121 -5.239 1.00 1.00 O ATOM 2045 CB ARG A 132 11.648 4.492 -7.940 1.00 1.00 C ATOM 2046 CG ARG A 132 11.747 4.201 -9.440 1.00 1.00 C ATOM 2047 CD ARG A 132 11.320 5.438 -10.235 1.00 1.00 C ATOM 2048 NE ARG A 132 12.236 6.546 -9.978 1.00 1.00 N ATOM 2049 CZ ARG A 132 13.355 6.698 -10.680 1.00 1.00 C ATOM 2050 NH1 ARG A 132 13.659 5.845 -11.619 1.00 1.00 N ATOM 2051 NH2 ARG A 132 14.152 7.703 -10.430 1.00 1.00 N ATOM 0 H ARG A 132 10.067 2.581 -7.740 1.00 1.00 H new ATOM 0 HA ARG A 132 12.928 2.813 -7.505 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.644 4.835 -7.691 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.335 5.293 -7.668 1.00 1.00 H new ATOM 0 HG2 ARG A 132 12.769 3.925 -9.700 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.112 3.354 -9.699 1.00 1.00 H new ATOM 0 HD2 ARG A 132 11.307 5.208 -11.300 1.00 1.00 H new ATOM 0 HD3 ARG A 132 10.305 5.724 -9.958 1.00 1.00 H new ATOM 0 HE ARG A 132 12.012 7.218 -9.244 1.00 1.00 H new ATOM 0 HH11 ARG A 132 13.038 5.060 -11.816 1.00 1.00 H new ATOM 0 HH12 ARG A 132 14.518 5.963 -12.157 1.00 1.00 H new ATOM 0 HH21 ARG A 132 13.916 8.371 -9.696 1.00 1.00 H new ATOM 0 HH22 ARG A 132 15.010 7.819 -10.969 1.00 1.00 H new ATOM 2065 N ALA A 133 11.095 3.224 -4.897 1.00 1.00 N ATOM 2066 CA ALA A 133 11.087 3.502 -3.462 1.00 1.00 C ATOM 2067 C ALA A 133 12.234 2.803 -2.735 1.00 1.00 C ATOM 2068 O ALA A 133 12.619 3.233 -1.648 1.00 1.00 O ATOM 2069 CB ALA A 133 9.753 3.054 -2.861 1.00 1.00 C ATOM 0 H ALA A 133 10.254 2.760 -5.240 1.00 1.00 H new ATOM 0 HA ALA A 133 11.219 4.576 -3.333 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.748 3.262 -1.791 1.00 1.00 H new ATOM 0 HB2 ALA A 133 8.938 3.596 -3.340 1.00 1.00 H new ATOM 0 HB3 ALA A 133 9.622 1.984 -3.024 1.00 1.00 H new ATOM 2075 N CYS A 134 12.786 1.747 -3.347 1.00 1.00 N ATOM 2076 CA CYS A 134 13.912 1.004 -2.749 1.00 1.00 C ATOM 2077 C CYS A 134 14.000 -0.437 -3.275 1.00 1.00 C ATOM 2078 O CYS A 134 14.992 -0.805 -3.903 1.00 1.00 O ATOM 2079 CB CYS A 134 13.817 1.003 -1.198 1.00 1.00 C ATOM 2080 SG CYS A 134 14.612 -0.469 -0.488 1.00 1.00 S ATOM 0 H CYS A 134 12.477 1.387 -4.250 1.00 1.00 H new ATOM 0 HA CYS A 134 14.824 1.521 -3.047 1.00 1.00 H new ATOM 0 HB2 CYS A 134 14.291 1.901 -0.802 1.00 1.00 H new ATOM 0 HB3 CYS A 134 12.770 1.035 -0.896 1.00 1.00 H new ATOM 0 HG CYS A 134 14.514 -0.433 0.808 1.00 1.00 H new ATOM 2086 N PRO A 135 13.022 -1.268 -2.996 1.00 1.00 N ATOM 2087 CA PRO A 135 13.048 -2.702 -3.418 1.00 1.00 C ATOM 2088 C PRO A 135 13.346 -2.892 -4.898 1.00 1.00 C ATOM 2089 O PRO A 135 14.462 -3.261 -5.261 1.00 1.00 O ATOM 2090 CB PRO A 135 11.635 -3.224 -3.082 1.00 1.00 C ATOM 2091 CG PRO A 135 10.815 -2.001 -2.815 1.00 1.00 C ATOM 2092 CD PRO A 135 11.783 -0.960 -2.271 1.00 1.00 C ATOM 0 HA PRO A 135 13.846 -3.239 -2.906 1.00 1.00 H new ATOM 0 HB2 PRO A 135 11.222 -3.801 -3.909 1.00 1.00 H new ATOM 0 HB3 PRO A 135 11.655 -3.882 -2.213 1.00 1.00 H new ATOM 0 HG2 PRO A 135 10.333 -1.647 -3.726 1.00 1.00 H new ATOM 0 HG3 PRO A 135 10.023 -2.211 -2.096 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.439 0.056 -2.468 1.00 1.00 H new ATOM 0 HD3 PRO A 135 11.911 -1.050 -1.192 1.00 1.00 H new ATOM 2232 N GLU A 145 15.868 2.625 6.891 1.00 1.00 N ATOM 2233 CA GLU A 145 15.765 3.675 7.898 1.00 1.00 C ATOM 2234 C GLU A 145 14.303 3.940 8.259 1.00 1.00 C ATOM 2235 O GLU A 145 13.698 4.892 7.766 1.00 1.00 O ATOM 2236 CB GLU A 145 16.403 4.957 7.360 1.00 1.00 C ATOM 2237 CG GLU A 145 16.436 6.020 8.459 1.00 1.00 C ATOM 2238 CD GLU A 145 17.098 7.289 7.933 1.00 1.00 C ATOM 2239 OE1 GLU A 145 17.276 7.385 6.729 1.00 1.00 O ATOM 2240 OE2 GLU A 145 17.419 8.146 8.740 1.00 1.00 O ATOM 0 HA GLU A 145 16.288 3.350 8.797 1.00 1.00 H new ATOM 0 HB2 GLU A 145 17.415 4.751 7.010 1.00 1.00 H new ATOM 0 HB3 GLU A 145 15.837 5.324 6.503 1.00 1.00 H new ATOM 0 HG2 GLU A 145 15.423 6.240 8.795 1.00 1.00 H new ATOM 0 HG3 GLU A 145 16.984 5.645 9.324 1.00 1.00 H new ATOM 2247 N PHE A 146 13.739 3.090 9.119 1.00 1.00 N ATOM 2248 CA PHE A 146 12.340 3.235 9.540 1.00 1.00 C ATOM 2249 C PHE A 146 12.250 3.876 10.928 1.00 1.00 C ATOM 2250 O PHE A 146 11.176 3.949 11.523 1.00 1.00 O ATOM 2251 CB PHE A 146 11.668 1.860 9.568 1.00 1.00 C ATOM 2252 CG PHE A 146 12.580 0.873 10.253 1.00 1.00 C ATOM 2253 CD1 PHE A 146 12.561 0.749 11.648 1.00 1.00 C ATOM 2254 CD2 PHE A 146 13.449 0.083 9.493 1.00 1.00 C ATOM 2255 CE1 PHE A 146 13.412 -0.166 12.279 1.00 1.00 C ATOM 2256 CE2 PHE A 146 14.299 -0.830 10.123 1.00 1.00 C ATOM 2257 CZ PHE A 146 14.280 -0.956 11.517 1.00 1.00 C ATOM 0 H PHE A 146 14.225 2.297 9.537 1.00 1.00 H new ATOM 0 HA PHE A 146 11.831 3.882 8.826 1.00 1.00 H new ATOM 0 HB2 PHE A 146 10.716 1.919 10.095 1.00 1.00 H new ATOM 0 HB3 PHE A 146 11.451 1.528 8.553 1.00 1.00 H new ATOM 0 HD1 PHE A 146 11.891 1.358 12.236 1.00 1.00 H new ATOM 0 HD2 PHE A 146 13.463 0.179 8.417 1.00 1.00 H new ATOM 0 HE1 PHE A 146 13.399 -0.262 13.355 1.00 1.00 H new ATOM 0 HE2 PHE A 146 14.970 -1.438 9.535 1.00 1.00 H new ATOM 0 HZ PHE A 146 14.935 -1.663 12.004 1.00 1.00 H new ATOM 2267 N GLU A 147 13.390 4.314 11.439 1.00 1.00 N ATOM 2268 CA GLU A 147 13.458 4.927 12.767 1.00 1.00 C ATOM 2269 C GLU A 147 12.477 6.096 12.914 1.00 1.00 C ATOM 2270 O GLU A 147 12.163 6.512 14.031 1.00 1.00 O ATOM 2271 CB GLU A 147 14.887 5.420 13.012 1.00 1.00 C ATOM 2272 CG GLU A 147 15.026 5.956 14.438 1.00 1.00 C ATOM 2273 CD GLU A 147 16.481 6.322 14.712 1.00 1.00 C ATOM 2274 OE1 GLU A 147 17.246 6.379 13.763 1.00 1.00 O ATOM 2275 OE2 GLU A 147 16.810 6.539 15.866 1.00 1.00 O ATOM 0 H GLU A 147 14.287 4.258 10.956 1.00 1.00 H new ATOM 0 HA GLU A 147 13.179 4.174 13.504 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.593 4.605 12.852 1.00 1.00 H new ATOM 0 HB3 GLU A 147 15.137 6.203 12.296 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.390 6.831 14.571 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.689 5.205 15.153 1.00 1.00 H new ATOM 2282 N TRP A 148 11.992 6.626 11.793 1.00 1.00 N ATOM 2283 CA TRP A 148 11.052 7.751 11.829 1.00 1.00 C ATOM 2284 C TRP A 148 9.605 7.271 11.973 1.00 1.00 C ATOM 2285 O TRP A 148 8.724 8.049 12.340 1.00 1.00 O ATOM 2286 CB TRP A 148 11.208 8.621 10.573 1.00 1.00 C ATOM 2287 CG TRP A 148 10.981 7.807 9.341 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.826 6.865 8.860 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.863 7.868 8.407 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.288 6.330 7.705 1.00 1.00 N ATOM 2291 CE2 TRP A 148 10.077 6.915 7.385 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.689 8.641 8.356 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 9.164 6.737 6.346 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.765 8.466 7.310 1.00 1.00 C ATOM 2295 CH2 TRP A 148 8.002 7.514 6.307 1.00 1.00 C ATOM 0 H TRP A 148 12.230 6.301 10.856 1.00 1.00 H new ATOM 0 HA TRP A 148 11.289 8.353 12.706 1.00 1.00 H new ATOM 0 HB2 TRP A 148 10.498 9.448 10.606 1.00 1.00 H new ATOM 0 HB3 TRP A 148 12.206 9.058 10.548 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.767 6.578 9.306 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.730 5.593 7.156 1.00 1.00 H new ATOM 0 HE3 TRP A 148 8.496 9.374 9.125 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.353 6.004 5.576 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.869 9.068 7.279 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.289 7.382 5.507 1.00 1.00 H new ATOM 2306 N LEU A 149 9.362 5.995 11.690 1.00 1.00 N ATOM 2307 CA LEU A 149 8.012 5.440 11.799 1.00 1.00 C ATOM 2308 C LEU A 149 7.521 5.531 13.236 1.00 1.00 C ATOM 2309 O LEU A 149 6.343 5.792 13.482 1.00 1.00 O ATOM 2310 CB LEU A 149 7.992 3.968 11.345 1.00 1.00 C ATOM 2311 CG LEU A 149 7.933 3.868 9.810 1.00 1.00 C ATOM 2312 CD1 LEU A 149 6.528 4.217 9.290 1.00 1.00 C ATOM 2313 CD2 LEU A 149 8.956 4.815 9.181 1.00 1.00 C ATOM 0 H LEU A 149 10.073 5.329 11.386 1.00 1.00 H new ATOM 0 HA LEU A 149 7.353 6.020 11.153 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.882 3.458 11.713 1.00 1.00 H new ATOM 0 HB3 LEU A 149 7.131 3.461 11.780 1.00 1.00 H new ATOM 0 HG LEU A 149 8.166 2.840 9.530 1.00 1.00 H new ATOM 0 HD11 LEU A 149 6.513 4.139 8.203 1.00 1.00 H new ATOM 0 HD12 LEU A 149 5.801 3.525 9.714 1.00 1.00 H new ATOM 0 HD13 LEU A 149 6.274 5.235 9.584 1.00 1.00 H new ATOM 0 HD21 LEU A 149 8.905 4.736 8.095 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.736 5.840 9.481 1.00 1.00 H new ATOM 0 HD23 LEU A 149 9.957 4.545 9.518 1.00 1.00 H new ATOM 2325 N SER A 150 8.424 5.307 14.186 1.00 1.00 N ATOM 2326 CA SER A 150 8.058 5.361 15.596 1.00 1.00 C ATOM 2327 C SER A 150 7.221 6.601 15.867 1.00 1.00 C ATOM 2328 O SER A 150 6.440 6.639 16.818 1.00 1.00 O ATOM 2329 CB SER A 150 9.317 5.395 16.463 1.00 1.00 C ATOM 2330 OG SER A 150 10.000 4.153 16.352 1.00 1.00 O ATOM 0 H SER A 150 9.404 5.089 14.007 1.00 1.00 H new ATOM 0 HA SER A 150 7.477 4.472 15.842 1.00 1.00 H new ATOM 0 HB2 SER A 150 9.968 6.210 16.147 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.051 5.585 17.503 1.00 1.00 H new ATOM 0 HG SER A 150 10.808 4.174 16.906 1.00 1.00 H new ATOM 2336 N ARG A 151 7.368 7.605 15.009 1.00 1.00 N ATOM 2337 CA ARG A 151 6.598 8.830 15.157 1.00 1.00 C ATOM 2338 C ARG A 151 5.120 8.496 15.043 1.00 1.00 C ATOM 2339 O ARG A 151 4.289 9.017 15.784 1.00 1.00 O ATOM 2340 CB ARG A 151 6.975 9.817 14.054 1.00 1.00 C ATOM 2341 CG ARG A 151 8.411 10.298 14.257 1.00 1.00 C ATOM 2342 CD ARG A 151 8.810 11.193 13.086 1.00 1.00 C ATOM 2343 NE ARG A 151 7.943 12.365 13.041 1.00 1.00 N ATOM 2344 CZ ARG A 151 8.201 13.443 13.775 1.00 1.00 C ATOM 2345 NH1 ARG A 151 9.258 13.472 14.540 1.00 1.00 N ATOM 2346 NH2 ARG A 151 7.397 14.469 13.730 1.00 1.00 N ATOM 0 H ARG A 151 8.006 7.594 14.213 1.00 1.00 H new ATOM 0 HA ARG A 151 6.810 9.279 16.127 1.00 1.00 H new ATOM 0 HB2 ARG A 151 6.876 9.341 13.078 1.00 1.00 H new ATOM 0 HB3 ARG A 151 6.292 10.667 14.065 1.00 1.00 H new ATOM 0 HG2 ARG A 151 8.494 10.847 15.195 1.00 1.00 H new ATOM 0 HG3 ARG A 151 9.087 9.445 14.326 1.00 1.00 H new ATOM 0 HD2 ARG A 151 9.850 11.503 13.191 1.00 1.00 H new ATOM 0 HD3 ARG A 151 8.735 10.638 12.151 1.00 1.00 H new ATOM 0 HE ARG A 151 7.123 12.357 12.435 1.00 1.00 H new ATOM 0 HH11 ARG A 151 9.885 12.668 14.574 1.00 1.00 H new ATOM 0 HH12 ARG A 151 9.457 14.298 15.104 1.00 1.00 H new ATOM 0 HH21 ARG A 151 6.571 14.444 13.132 1.00 1.00 H new ATOM 0 HH22 ARG A 151 7.594 15.296 14.293 1.00 1.00 H new ATOM 2360 N HIS A 152 4.814 7.602 14.113 1.00 1.00 N ATOM 2361 CA HIS A 152 3.446 7.173 13.903 1.00 1.00 C ATOM 2362 C HIS A 152 3.043 6.169 14.975 1.00 1.00 C ATOM 2363 O HIS A 152 3.854 5.353 15.414 1.00 1.00 O ATOM 2364 CB HIS A 152 3.308 6.525 12.522 1.00 1.00 C ATOM 2365 CG HIS A 152 3.481 7.570 11.454 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.421 8.326 10.979 1.00 1.00 N ATOM 2367 CD2 HIS A 152 4.585 7.995 10.757 1.00 1.00 C ATOM 2368 CE1 HIS A 152 2.903 9.157 10.038 1.00 1.00 C ATOM 2369 NE2 HIS A 152 4.217 8.997 9.863 1.00 1.00 N ATOM 0 H HIS A 152 5.496 7.163 13.495 1.00 1.00 H new ATOM 0 HA HIS A 152 2.793 8.044 13.962 1.00 1.00 H new ATOM 0 HB2 HIS A 152 4.055 5.740 12.401 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.330 6.052 12.427 1.00 1.00 H new ATOM 0 HD2 HIS A 152 5.586 7.611 10.883 1.00 1.00 H new ATOM 0 HE1 HIS A 152 2.301 9.867 9.491 1.00 1.00 H new ATOM 0 HE2 HIS A 152 4.821 9.501 9.214 1.00 1.00 H new ATOM 2377 N THR A 153 1.779 6.226 15.377 1.00 1.00 N ATOM 2378 CA THR A 153 1.246 5.307 16.383 1.00 1.00 C ATOM 2379 C THR A 153 0.063 4.561 15.791 1.00 1.00 C ATOM 2380 O THR A 153 -0.470 3.629 16.392 1.00 1.00 O ATOM 2381 CB THR A 153 0.807 6.076 17.633 1.00 1.00 C ATOM 2382 OG1 THR A 153 0.190 5.179 18.546 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.187 7.171 17.244 1.00 1.00 C ATOM 0 H THR A 153 1.100 6.900 15.022 1.00 1.00 H new ATOM 0 HA THR A 153 2.023 4.599 16.673 1.00 1.00 H new ATOM 0 HB THR A 153 1.679 6.532 18.101 1.00 1.00 H new ATOM 0 HG1 THR A 153 -0.249 4.457 18.049 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.496 7.715 18.136 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.286 7.860 16.544 1.00 1.00 H new ATOM 0 HG23 THR A 153 -1.060 6.719 16.774 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.328 4.987 14.599 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.442 4.372 13.897 1.00 1.00 C ATOM 2393 C CYS A 154 -2.686 4.371 14.772 1.00 1.00 C ATOM 2394 O CYS A 154 -2.606 4.549 15.987 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.086 2.935 13.510 1.00 1.00 C ATOM 2396 SG CYS A 154 0.582 2.896 12.807 1.00 1.00 S ATOM 0 H CYS A 154 0.112 5.759 14.097 1.00 1.00 H new ATOM 0 HA CYS A 154 -1.645 4.950 12.996 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -1.139 2.287 14.385 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -1.806 2.553 12.787 1.00 1.00 H new ATOM 0 HG CYS A 154 0.887 1.675 12.480 1.00 1.00 H new