USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 827 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 63 THR OG1 : rot 13:sc= 0.0986 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -124:sc= 0.496 (180deg=0) USER MOD Set 2.1: A 80 CYS SG : rot -40:sc= 0.0575 USER MOD Set 2.2: A 95 CYS SG : rot 49:sc= 0.207 USER MOD Set 3.1: A 54 MET CE :methyl 179:sc= -9.04! (180deg=-9.41!) USER MOD Set 3.2: A 58 CYS SG : rot 39:sc= -3.79! USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -3.12! (180deg=-3.83!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 18 SER OG : rot -120:sc= -0.684 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Single : A 27 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.0393 X(o=0.039,f=-0.2) USER MOD Single : A 39 TYR OH : rot 67:sc= 0.754 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.26 K(o=-3.3,f=-5.5!) USER MOD Single : A 44 THR OG1 : rot -10:sc= -0.56 USER MOD Single : A 46 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -8.28! C(o=-8.3!,f=-8.2!) USER MOD Single : A 60 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.027) USER MOD Single : A 65 HIS : no HD1:sc= -0.565 K(o=-0.56,f=-1.7) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc=0.000373 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.65! C(o=-1.7!,f=-2.9!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= -0.843 (180deg=-0.892) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0982 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00495 USER MOD Single : A 102 CYS SG : rot -151:sc= 0.0409 USER MOD Single : A 108 THR OG1 : rot -150:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.211 F(o=-0.86,f=-0.21) USER MOD Single : A 112 SER OG : rot -74:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -13.395 -2.290 -7.835 1.00 0.00 N ATOM 67 CA PHE A 8 -12.259 -1.708 -7.130 1.00 0.00 C ATOM 68 C PHE A 8 -11.805 -0.416 -7.805 1.00 0.00 C ATOM 69 O PHE A 8 -11.711 -0.343 -9.030 1.00 0.00 O ATOM 70 CB PHE A 8 -11.099 -2.704 -7.077 1.00 0.00 C ATOM 71 CG PHE A 8 -11.511 -4.081 -6.643 1.00 0.00 C ATOM 72 CD1 PHE A 8 -12.161 -4.276 -5.435 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.248 -5.182 -7.443 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.541 -5.542 -5.033 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.626 -6.451 -7.046 1.00 0.00 C ATOM 76 CZ PHE A 8 -12.274 -6.631 -5.840 1.00 0.00 C ATOM 0 HA PHE A 8 -12.575 -1.475 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.638 -2.765 -8.063 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.339 -2.328 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.373 -3.428 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.742 -5.047 -8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.046 -5.680 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.415 -7.301 -7.678 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.572 -7.621 -5.528 1.00 0.00 H new ATOM 86 N VAL A 9 -11.525 0.600 -6.995 1.00 0.00 N ATOM 87 CA VAL A 9 -11.081 1.889 -7.512 1.00 0.00 C ATOM 88 C VAL A 9 -9.784 1.747 -8.301 1.00 0.00 C ATOM 89 O VAL A 9 -9.723 2.085 -9.483 1.00 0.00 O ATOM 90 CB VAL A 9 -10.869 2.907 -6.376 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.743 4.315 -6.937 1.00 0.00 C ATOM 92 CG2 VAL A 9 -12.006 2.825 -5.369 1.00 0.00 C ATOM 0 H VAL A 9 -11.598 0.555 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.868 2.253 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.940 2.663 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.594 5.020 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.892 4.361 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.653 4.574 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.840 3.551 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.950 3.043 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.043 1.822 -4.943 1.00 0.00 H new ATOM 102 N LYS A 10 -8.748 1.244 -7.639 1.00 0.00 N ATOM 103 CA LYS A 10 -7.450 1.054 -8.277 1.00 0.00 C ATOM 104 C LYS A 10 -6.770 -0.210 -7.762 1.00 0.00 C ATOM 105 O LYS A 10 -6.737 -0.462 -6.558 1.00 0.00 O ATOM 106 CB LYS A 10 -6.553 2.268 -8.026 1.00 0.00 C ATOM 107 CG LYS A 10 -5.163 2.131 -8.623 1.00 0.00 C ATOM 108 CD LYS A 10 -4.356 3.408 -8.457 1.00 0.00 C ATOM 109 CE LYS A 10 -2.866 3.119 -8.370 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.050 4.350 -8.555 1.00 0.00 N ATOM 0 H LYS A 10 -8.782 0.960 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.613 0.946 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.032 3.155 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.464 2.427 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.640 1.304 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.243 1.886 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.550 4.074 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.680 3.930 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.638 2.675 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.594 2.385 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.071 4.165 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.062 4.627 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.447 5.119 -7.979 1.00 0.00 H new ATOM 124 N SER A 11 -6.227 -1.001 -8.682 1.00 0.00 N ATOM 125 CA SER A 11 -5.549 -2.240 -8.320 1.00 0.00 C ATOM 126 C SER A 11 -4.199 -2.347 -9.024 1.00 0.00 C ATOM 127 O SER A 11 -4.070 -2.003 -10.198 1.00 0.00 O ATOM 128 CB SER A 11 -6.420 -3.446 -8.678 1.00 0.00 C ATOM 129 OG SER A 11 -6.782 -3.425 -10.047 1.00 0.00 O ATOM 0 H SER A 11 -6.243 -0.806 -9.683 1.00 0.00 H new ATOM 0 HA SER A 11 -5.378 -2.230 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.881 -4.367 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.319 -3.446 -8.061 1.00 0.00 H new ATOM 0 HG SER A 11 -7.337 -4.207 -10.251 1.00 0.00 H new ATOM 135 N GLY A 12 -3.195 -2.827 -8.296 1.00 0.00 N ATOM 136 CA GLY A 12 -1.868 -2.970 -8.865 1.00 0.00 C ATOM 137 C GLY A 12 -0.914 -3.696 -7.937 1.00 0.00 C ATOM 138 O GLY A 12 -1.272 -4.033 -6.809 1.00 0.00 O ATOM 0 H GLY A 12 -3.277 -3.119 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.937 -3.513 -9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.466 -1.983 -9.094 1.00 0.00 H new ATOM 142 N TRP A 13 0.301 -3.939 -8.414 1.00 0.00 N ATOM 143 CA TRP A 13 1.309 -4.631 -7.619 1.00 0.00 C ATOM 144 C TRP A 13 2.171 -3.638 -6.847 1.00 0.00 C ATOM 145 O TRP A 13 2.551 -2.591 -7.374 1.00 0.00 O ATOM 146 CB TRP A 13 2.190 -5.499 -8.519 1.00 0.00 C ATOM 147 CG TRP A 13 1.555 -6.804 -8.892 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.839 -7.073 -10.023 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.578 -8.017 -8.131 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.414 -8.380 -10.011 1.00 0.00 N ATOM 151 CE2 TRP A 13 0.856 -8.980 -8.862 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.140 -8.383 -6.906 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.681 -10.284 -8.405 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.965 -9.677 -6.453 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.242 -10.615 -7.202 1.00 0.00 C ATOM 0 H TRP A 13 0.612 -3.667 -9.347 1.00 0.00 H new ATOM 0 HA TRP A 13 0.794 -5.270 -6.901 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.426 -4.945 -9.428 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.134 -5.695 -8.011 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.636 -6.363 -10.811 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.140 -8.830 -10.739 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.701 -7.668 -6.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.122 -11.008 -8.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.393 -9.970 -5.506 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.125 -11.619 -6.822 1.00 0.00 H new ATOM 166 N LEU A 14 2.477 -3.972 -5.599 1.00 0.00 N ATOM 167 CA LEU A 14 3.296 -3.108 -4.755 1.00 0.00 C ATOM 168 C LEU A 14 4.059 -3.926 -3.718 1.00 0.00 C ATOM 169 O LEU A 14 3.590 -4.972 -3.268 1.00 0.00 O ATOM 170 CB LEU A 14 2.420 -2.067 -4.056 1.00 0.00 C ATOM 171 CG LEU A 14 1.635 -1.127 -4.971 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.632 -0.314 -4.168 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.581 -0.209 -5.731 1.00 0.00 C ATOM 0 H LEU A 14 2.171 -4.834 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 14 4.019 -2.597 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.712 -2.590 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.055 -1.464 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 14 1.087 -1.730 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.083 0.349 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.066 -0.987 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.159 0.279 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.005 0.453 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.157 0.386 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.260 -0.808 -6.338 1.00 0.00 H new ATOM 185 N LEU A 15 5.237 -3.441 -3.340 1.00 0.00 N ATOM 186 CA LEU A 15 6.066 -4.125 -2.354 1.00 0.00 C ATOM 187 C LEU A 15 5.582 -3.830 -0.938 1.00 0.00 C ATOM 188 O LEU A 15 5.011 -2.772 -0.674 1.00 0.00 O ATOM 189 CB LEU A 15 7.528 -3.701 -2.504 1.00 0.00 C ATOM 190 CG LEU A 15 8.145 -3.897 -3.890 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.379 -3.025 -4.053 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.490 -5.362 -4.117 1.00 0.00 C ATOM 0 H LEU A 15 5.639 -2.576 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 15 5.986 -5.198 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.609 -2.647 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.123 -4.259 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 15 7.412 -3.597 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.804 -3.178 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.102 -1.977 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.117 -3.293 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.928 -5.483 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.205 -5.689 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.585 -5.965 -4.044 1.00 0.00 H new ATOM 204 N ARG A 16 5.816 -4.772 -0.030 1.00 0.00 N ATOM 205 CA ARG A 16 5.405 -4.612 1.360 1.00 0.00 C ATOM 206 C ARG A 16 6.393 -5.296 2.301 1.00 0.00 C ATOM 207 O ARG A 16 6.617 -6.503 2.210 1.00 0.00 O ATOM 208 CB ARG A 16 4.003 -5.188 1.569 1.00 0.00 C ATOM 209 CG ARG A 16 3.492 -5.044 2.993 1.00 0.00 C ATOM 210 CD ARG A 16 2.033 -5.457 3.105 1.00 0.00 C ATOM 211 NE ARG A 16 1.716 -5.998 4.424 1.00 0.00 N ATOM 212 CZ ARG A 16 2.039 -7.227 4.811 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.683 -8.038 3.984 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.716 -7.647 6.028 1.00 0.00 N ATOM 0 H ARG A 16 6.288 -5.654 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 16 5.390 -3.546 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.310 -4.690 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.009 -6.244 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.097 -5.656 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.605 -4.010 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.396 -4.595 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.808 -6.204 2.344 1.00 0.00 H new ATOM 0 HE ARG A 16 1.219 -5.399 5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.932 -7.719 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.930 -8.981 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.219 -7.026 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.964 -8.591 6.324 1.00 0.00 H new ATOM 228 N GLN A 17 6.980 -4.516 3.203 1.00 0.00 N ATOM 229 CA GLN A 17 7.944 -5.047 4.159 1.00 0.00 C ATOM 230 C GLN A 17 7.236 -5.698 5.342 1.00 0.00 C ATOM 231 O GLN A 17 6.682 -5.012 6.201 1.00 0.00 O ATOM 232 CB GLN A 17 8.870 -3.934 4.654 1.00 0.00 C ATOM 233 CG GLN A 17 10.154 -4.447 5.286 1.00 0.00 C ATOM 234 CD GLN A 17 10.924 -3.358 6.007 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.043 -3.373 7.232 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.453 -2.405 5.248 1.00 0.00 N ATOM 0 H GLN A 17 6.805 -3.515 3.292 1.00 0.00 H new ATOM 0 HA GLN A 17 8.539 -5.807 3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.122 -3.283 3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.335 -3.324 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.915 -5.245 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.786 -4.883 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.330 -2.432 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.983 -1.646 5.677 1.00 0.00 H new ATOM 245 N SER A 18 7.257 -7.027 5.380 1.00 0.00 N ATOM 246 CA SER A 18 6.612 -7.771 6.456 1.00 0.00 C ATOM 247 C SER A 18 7.413 -7.658 7.750 1.00 0.00 C ATOM 248 O SER A 18 8.495 -7.070 7.776 1.00 0.00 O ATOM 249 CB SER A 18 6.458 -9.242 6.065 1.00 0.00 C ATOM 250 OG SER A 18 7.682 -9.776 5.593 1.00 0.00 O ATOM 0 H SER A 18 7.713 -7.610 4.679 1.00 0.00 H new ATOM 0 HA SER A 18 5.624 -7.341 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.115 -9.816 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.694 -9.338 5.293 1.00 0.00 H new ATOM 0 HG SER A 18 7.568 -10.092 4.672 1.00 0.00 H new ATOM 256 N THR A 19 6.873 -8.226 8.824 1.00 0.00 N ATOM 257 CA THR A 19 7.535 -8.190 10.122 1.00 0.00 C ATOM 258 C THR A 19 8.383 -9.437 10.342 1.00 0.00 C ATOM 259 O THR A 19 9.441 -9.376 10.969 1.00 0.00 O ATOM 260 CB THR A 19 6.514 -8.067 11.269 1.00 0.00 C ATOM 261 OG1 THR A 19 5.526 -9.097 11.158 1.00 0.00 O ATOM 262 CG2 THR A 19 5.838 -6.705 11.249 1.00 0.00 C ATOM 0 H THR A 19 5.979 -8.717 8.820 1.00 0.00 H new ATOM 0 HA THR A 19 8.180 -7.312 10.124 1.00 0.00 H new ATOM 0 HB THR A 19 7.048 -8.176 12.213 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.882 -9.013 11.892 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.122 -6.642 12.068 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.590 -5.924 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.317 -6.571 10.301 1.00 0.00 H new ATOM 270 N ILE A 20 7.913 -10.566 9.823 1.00 0.00 N ATOM 271 CA ILE A 20 8.630 -11.827 9.962 1.00 0.00 C ATOM 272 C ILE A 20 9.788 -11.913 8.973 1.00 0.00 C ATOM 273 O ILE A 20 10.955 -11.921 9.366 1.00 0.00 O ATOM 274 CB ILE A 20 7.696 -13.033 9.748 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.695 -13.141 10.900 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.506 -14.314 9.620 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.473 -13.967 10.563 1.00 0.00 C ATOM 0 H ILE A 20 7.039 -10.633 9.302 1.00 0.00 H new ATOM 0 HA ILE A 20 9.021 -11.857 10.979 1.00 0.00 H new ATOM 0 HB ILE A 20 7.140 -12.884 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.194 -13.580 11.764 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.378 -12.139 11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.832 -15.157 9.469 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.182 -14.233 8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.085 -14.471 10.530 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.807 -14.000 11.425 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.951 -13.517 9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.779 -14.980 10.302 1.00 0.00 H new ATOM 289 N LEU A 21 9.457 -11.976 7.688 1.00 0.00 N ATOM 290 CA LEU A 21 10.469 -12.059 6.641 1.00 0.00 C ATOM 291 C LEU A 21 11.305 -10.784 6.588 1.00 0.00 C ATOM 292 O LEU A 21 12.381 -10.758 5.991 1.00 0.00 O ATOM 293 CB LEU A 21 9.808 -12.306 5.284 1.00 0.00 C ATOM 294 CG LEU A 21 9.042 -13.621 5.139 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.071 -13.548 3.971 1.00 0.00 C ATOM 296 CD2 LEU A 21 10.008 -14.783 4.959 1.00 0.00 C ATOM 0 H LEU A 21 8.496 -11.971 7.346 1.00 0.00 H new ATOM 0 HA LEU A 21 11.129 -12.894 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.121 -11.484 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.580 -12.272 4.515 1.00 0.00 H new ATOM 0 HG LEU A 21 8.469 -13.788 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.535 -14.493 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.358 -12.741 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.623 -13.357 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.446 -15.711 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.608 -14.622 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.663 -14.849 5.827 1.00 0.00 H new ATOM 308 N LYS A 22 10.804 -9.728 7.220 1.00 0.00 N ATOM 309 CA LYS A 22 11.504 -8.450 7.249 1.00 0.00 C ATOM 310 C LYS A 22 12.183 -8.171 5.912 1.00 0.00 C ATOM 311 O LYS A 22 13.387 -7.923 5.856 1.00 0.00 O ATOM 312 CB LYS A 22 12.544 -8.441 8.372 1.00 0.00 C ATOM 313 CG LYS A 22 11.986 -7.999 9.714 1.00 0.00 C ATOM 314 CD LYS A 22 13.064 -7.385 10.592 1.00 0.00 C ATOM 315 CE LYS A 22 13.910 -8.454 11.266 1.00 0.00 C ATOM 316 NZ LYS A 22 15.119 -7.877 11.916 1.00 0.00 N ATOM 0 H LYS A 22 9.915 -9.733 7.719 1.00 0.00 H new ATOM 0 HA LYS A 22 10.770 -7.666 7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.964 -9.441 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.363 -7.778 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.188 -7.274 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.543 -8.854 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.703 -6.741 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.601 -6.754 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.310 -8.975 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.214 -9.196 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.669 -8.638 12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.705 -7.402 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.829 -7.188 12.639 1.00 0.00 H new ATOM 330 N ARG A 23 11.401 -8.210 4.838 1.00 0.00 N ATOM 331 CA ARG A 23 11.927 -7.961 3.501 1.00 0.00 C ATOM 332 C ARG A 23 10.838 -7.418 2.581 1.00 0.00 C ATOM 333 O ARG A 23 9.648 -7.606 2.834 1.00 0.00 O ATOM 334 CB ARG A 23 12.514 -9.246 2.913 1.00 0.00 C ATOM 335 CG ARG A 23 11.462 -10.218 2.403 1.00 0.00 C ATOM 336 CD ARG A 23 12.012 -11.632 2.304 1.00 0.00 C ATOM 337 NE ARG A 23 13.156 -11.712 1.400 1.00 0.00 N ATOM 338 CZ ARG A 23 13.761 -12.850 1.079 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.332 -13.998 1.586 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.796 -12.842 0.249 1.00 0.00 N ATOM 0 H ARG A 23 10.402 -8.412 4.868 1.00 0.00 H new ATOM 0 HA ARG A 23 12.716 -7.213 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.185 -8.987 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.116 -9.742 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.601 -10.207 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.110 -9.894 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.308 -11.976 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.227 -12.303 1.955 1.00 0.00 H new ATOM 0 HE ARG A 23 13.510 -10.846 0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.536 -14.008 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.798 -14.871 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.128 -11.961 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.260 -13.717 0.003 1.00 0.00 H new ATOM 354 N TRP A 24 11.253 -6.745 1.514 1.00 0.00 N ATOM 355 CA TRP A 24 10.312 -6.175 0.556 1.00 0.00 C ATOM 356 C TRP A 24 9.817 -7.237 -0.419 1.00 0.00 C ATOM 357 O TRP A 24 10.553 -7.672 -1.306 1.00 0.00 O ATOM 358 CB TRP A 24 10.968 -5.026 -0.211 1.00 0.00 C ATOM 359 CG TRP A 24 11.360 -3.875 0.664 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.591 -3.641 1.208 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.518 -2.801 1.097 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.564 -2.488 1.954 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.304 -1.953 1.901 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.177 -2.473 0.883 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.792 -0.800 2.490 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.669 -1.329 1.469 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.475 -0.503 2.264 1.00 0.00 C ATOM 0 H TRP A 24 12.234 -6.581 1.290 1.00 0.00 H new ATOM 0 HA TRP A 24 9.455 -5.791 1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.853 -5.400 -0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.280 -4.672 -0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.458 -4.270 1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.354 -2.094 2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.548 -3.102 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.412 -0.163 3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.633 -1.067 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.049 0.385 2.707 1.00 0.00 H new ATOM 378 N LYS A 25 8.566 -7.652 -0.251 1.00 0.00 N ATOM 379 CA LYS A 25 7.971 -8.663 -1.117 1.00 0.00 C ATOM 380 C LYS A 25 6.838 -8.069 -1.947 1.00 0.00 C ATOM 381 O LYS A 25 6.083 -7.221 -1.471 1.00 0.00 O ATOM 382 CB LYS A 25 7.448 -9.834 -0.284 1.00 0.00 C ATOM 383 CG LYS A 25 6.205 -9.500 0.522 1.00 0.00 C ATOM 384 CD LYS A 25 5.760 -10.676 1.376 1.00 0.00 C ATOM 385 CE LYS A 25 5.339 -11.860 0.518 1.00 0.00 C ATOM 386 NZ LYS A 25 4.389 -12.754 1.236 1.00 0.00 N ATOM 0 H LYS A 25 7.944 -7.303 0.478 1.00 0.00 H new ATOM 0 HA LYS A 25 8.744 -9.025 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.227 -10.670 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.233 -10.165 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.405 -8.640 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.399 -9.214 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.573 -10.975 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.928 -10.372 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.874 -11.497 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.222 -12.428 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.126 -13.548 0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.841 -13.120 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.536 -12.218 1.494 1.00 0.00 H new ATOM 400 N LYS A 26 6.722 -8.521 -3.191 1.00 0.00 N ATOM 401 CA LYS A 26 5.679 -8.037 -4.088 1.00 0.00 C ATOM 402 C LYS A 26 4.324 -8.632 -3.717 1.00 0.00 C ATOM 403 O LYS A 26 4.181 -9.848 -3.597 1.00 0.00 O ATOM 404 CB LYS A 26 6.021 -8.386 -5.538 1.00 0.00 C ATOM 405 CG LYS A 26 5.477 -7.391 -6.548 1.00 0.00 C ATOM 406 CD LYS A 26 6.470 -6.273 -6.820 1.00 0.00 C ATOM 407 CE LYS A 26 7.410 -6.629 -7.962 1.00 0.00 C ATOM 408 NZ LYS A 26 8.582 -5.712 -8.021 1.00 0.00 N ATOM 0 H LYS A 26 7.338 -9.223 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 26 5.621 -6.953 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.104 -8.442 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.627 -9.376 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.245 -7.907 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.544 -6.968 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.931 -5.357 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.050 -6.072 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.757 -7.655 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.867 -6.586 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.097 -5.864 -8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.254 -4.726 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.214 -5.905 -7.218 1.00 0.00 H new ATOM 422 N ASN A 27 3.332 -7.766 -3.538 1.00 0.00 N ATOM 423 CA ASN A 27 1.988 -8.206 -3.182 1.00 0.00 C ATOM 424 C ASN A 27 0.944 -7.550 -4.080 1.00 0.00 C ATOM 425 O ASN A 27 1.269 -6.694 -4.903 1.00 0.00 O ATOM 426 CB ASN A 27 1.693 -7.880 -1.716 1.00 0.00 C ATOM 427 CG ASN A 27 2.633 -8.595 -0.765 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.491 -7.972 -0.138 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.476 -9.908 -0.653 1.00 0.00 N ATOM 0 H ASN A 27 3.433 -6.756 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 27 1.937 -9.285 -3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.774 -6.804 -1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.665 -8.158 -1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.080 -10.442 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.752 -10.383 -1.192 1.00 0.00 H new ATOM 436 N TRP A 28 -0.309 -7.957 -3.916 1.00 0.00 N ATOM 437 CA TRP A 28 -1.401 -7.407 -4.712 1.00 0.00 C ATOM 438 C TRP A 28 -2.323 -6.549 -3.853 1.00 0.00 C ATOM 439 O TRP A 28 -2.997 -7.053 -2.954 1.00 0.00 O ATOM 440 CB TRP A 28 -2.199 -8.535 -5.368 1.00 0.00 C ATOM 441 CG TRP A 28 -3.233 -8.046 -6.337 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.583 -8.231 -6.257 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.998 -7.294 -7.533 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.203 -7.638 -7.331 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.253 -7.056 -8.128 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.852 -6.797 -8.157 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.390 -6.345 -9.317 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.989 -6.091 -9.337 1.00 0.00 C ATOM 449 CH2 TRP A 28 -3.250 -5.869 -9.907 1.00 0.00 C ATOM 0 H TRP A 28 -0.595 -8.665 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.969 -6.777 -5.489 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.511 -9.202 -5.888 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.688 -9.123 -4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.089 -8.765 -5.466 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.208 -7.632 -7.506 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.876 -6.961 -7.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.361 -6.175 -9.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.109 -5.703 -9.829 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.324 -5.312 -10.829 1.00 0.00 H new ATOM 460 N PHE A 29 -2.348 -5.251 -4.134 1.00 0.00 N ATOM 461 CA PHE A 29 -3.187 -4.322 -3.386 1.00 0.00 C ATOM 462 C PHE A 29 -4.398 -3.896 -4.212 1.00 0.00 C ATOM 463 O PHE A 29 -4.306 -3.734 -5.429 1.00 0.00 O ATOM 464 CB PHE A 29 -2.379 -3.090 -2.973 1.00 0.00 C ATOM 465 CG PHE A 29 -1.417 -3.354 -1.850 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.147 -3.844 -2.108 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.783 -3.112 -0.535 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.741 -4.087 -1.077 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.899 -3.353 0.500 1.00 0.00 C ATOM 470 CZ PHE A 29 0.364 -3.842 0.229 1.00 0.00 C ATOM 0 H PHE A 29 -1.797 -4.818 -4.875 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.541 -4.833 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.825 -2.722 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.066 -2.298 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.153 -4.038 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.770 -2.731 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.728 -4.468 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.196 -3.159 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.055 -4.032 1.037 1.00 0.00 H new ATOM 480 N ASP A 30 -5.531 -3.718 -3.541 1.00 0.00 N ATOM 481 CA ASP A 30 -6.760 -3.311 -4.211 1.00 0.00 C ATOM 482 C ASP A 30 -7.598 -2.411 -3.310 1.00 0.00 C ATOM 483 O ASP A 30 -7.922 -2.775 -2.178 1.00 0.00 O ATOM 484 CB ASP A 30 -7.573 -4.540 -4.623 1.00 0.00 C ATOM 485 CG ASP A 30 -6.881 -5.359 -5.696 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.715 -5.752 -5.483 1.00 0.00 O ATOM 487 OD2 ASP A 30 -7.507 -5.606 -6.748 1.00 0.00 O ATOM 0 H ASP A 30 -5.623 -3.849 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.488 -2.749 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.748 -5.166 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.550 -4.221 -4.987 1.00 0.00 H new ATOM 492 N LEU A 31 -7.945 -1.233 -3.817 1.00 0.00 N ATOM 493 CA LEU A 31 -8.745 -0.278 -3.057 1.00 0.00 C ATOM 494 C LEU A 31 -10.229 -0.436 -3.374 1.00 0.00 C ATOM 495 O LEU A 31 -10.601 -0.755 -4.504 1.00 0.00 O ATOM 496 CB LEU A 31 -8.296 1.151 -3.363 1.00 0.00 C ATOM 497 CG LEU A 31 -8.770 2.228 -2.385 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.857 2.284 -1.170 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.830 3.584 -3.073 1.00 0.00 C ATOM 0 H LEU A 31 -7.685 -0.916 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.596 -0.480 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.207 1.170 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.647 1.415 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.774 1.970 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.209 3.056 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.865 1.319 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.841 2.518 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.169 4.338 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.839 3.850 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.525 3.536 -3.911 1.00 0.00 H new ATOM 511 N TRP A 32 -11.070 -0.210 -2.372 1.00 0.00 N ATOM 512 CA TRP A 32 -12.514 -0.325 -2.546 1.00 0.00 C ATOM 513 C TRP A 32 -13.152 1.048 -2.721 1.00 0.00 C ATOM 514 O TRP A 32 -12.587 2.062 -2.314 1.00 0.00 O ATOM 515 CB TRP A 32 -13.137 -1.041 -1.346 1.00 0.00 C ATOM 516 CG TRP A 32 -12.785 -2.496 -1.274 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.564 -3.057 -1.519 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.664 -3.575 -0.937 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.631 -4.420 -1.354 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.908 -4.762 -0.997 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.015 -3.654 -0.590 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.461 -6.011 -0.722 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.562 -4.893 -0.318 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.786 -6.058 -0.384 1.00 0.00 C ATOM 0 H TRP A 32 -10.778 0.054 -1.431 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.701 -0.909 -3.447 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.811 -0.550 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.221 -0.939 -1.394 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.676 -2.510 -1.801 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.855 -5.071 -1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.621 -2.762 -0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.865 -6.910 -0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.606 -4.965 -0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.243 -7.012 -0.164 1.00 0.00 H new ATOM 535 N SER A 33 -14.333 1.073 -3.330 1.00 0.00 N ATOM 536 CA SER A 33 -15.047 2.323 -3.563 1.00 0.00 C ATOM 537 C SER A 33 -15.341 3.034 -2.245 1.00 0.00 C ATOM 538 O SER A 33 -15.307 4.263 -2.169 1.00 0.00 O ATOM 539 CB SER A 33 -16.353 2.058 -4.314 1.00 0.00 C ATOM 540 OG SER A 33 -17.232 1.259 -3.542 1.00 0.00 O ATOM 0 H SER A 33 -14.816 0.242 -3.671 1.00 0.00 H new ATOM 0 HA SER A 33 -14.412 2.967 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.835 3.005 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.138 1.559 -5.259 1.00 0.00 H new ATOM 0 HG SER A 33 -18.060 1.105 -4.043 1.00 0.00 H new ATOM 546 N ASP A 34 -15.629 2.253 -1.210 1.00 0.00 N ATOM 547 CA ASP A 34 -15.928 2.806 0.105 1.00 0.00 C ATOM 548 C ASP A 34 -14.653 3.275 0.800 1.00 0.00 C ATOM 549 O ASP A 34 -14.706 3.923 1.845 1.00 0.00 O ATOM 550 CB ASP A 34 -16.642 1.766 0.969 1.00 0.00 C ATOM 551 CG ASP A 34 -16.975 2.291 2.352 1.00 0.00 C ATOM 552 OD1 ASP A 34 -17.557 3.392 2.445 1.00 0.00 O ATOM 553 OD2 ASP A 34 -16.654 1.601 3.342 1.00 0.00 O ATOM 0 H ASP A 34 -15.662 1.235 -1.256 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.584 3.666 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.560 1.453 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.012 0.881 1.062 1.00 0.00 H new ATOM 558 N GLY A 35 -13.508 2.941 0.213 1.00 0.00 N ATOM 559 CA GLY A 35 -12.236 3.334 0.791 1.00 0.00 C ATOM 560 C GLY A 35 -11.448 2.151 1.317 1.00 0.00 C ATOM 561 O GLY A 35 -10.221 2.119 1.216 1.00 0.00 O ATOM 0 H GLY A 35 -13.438 2.405 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.644 3.855 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.412 4.039 1.603 1.00 0.00 H new ATOM 565 N HIS A 36 -12.153 1.177 1.883 1.00 0.00 N ATOM 566 CA HIS A 36 -11.510 -0.014 2.429 1.00 0.00 C ATOM 567 C HIS A 36 -10.430 -0.530 1.483 1.00 0.00 C ATOM 568 O HIS A 36 -10.640 -0.616 0.272 1.00 0.00 O ATOM 569 CB HIS A 36 -12.548 -1.108 2.682 1.00 0.00 C ATOM 570 CG HIS A 36 -13.174 -1.036 4.041 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.347 -0.355 4.293 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.786 -1.565 5.224 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.651 -0.468 5.574 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.720 -1.198 6.161 1.00 0.00 N ATOM 0 H HIS A 36 -13.169 1.188 1.976 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.040 0.257 3.375 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.330 -1.037 1.926 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.074 -2.082 2.560 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.894 0.155 3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.905 -2.165 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.514 -0.037 6.059 1.00 0.00 H new ATOM 583 N LEU A 37 -9.275 -0.871 2.043 1.00 0.00 N ATOM 584 CA LEU A 37 -8.161 -1.379 1.249 1.00 0.00 C ATOM 585 C LEU A 37 -7.817 -2.811 1.646 1.00 0.00 C ATOM 586 O LEU A 37 -7.650 -3.115 2.827 1.00 0.00 O ATOM 587 CB LEU A 37 -6.934 -0.481 1.424 1.00 0.00 C ATOM 588 CG LEU A 37 -5.655 -0.950 0.729 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.755 -0.735 -0.774 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.444 -0.222 1.294 1.00 0.00 C ATOM 0 H LEU A 37 -9.085 -0.805 3.043 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.462 -1.374 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.181 0.514 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.729 -0.383 2.490 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.533 -2.017 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.836 -1.074 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.599 -1.301 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.901 0.325 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.543 -0.568 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.559 0.851 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.362 -0.426 2.362 1.00 0.00 H new ATOM 602 N ILE A 38 -7.712 -3.686 0.651 1.00 0.00 N ATOM 603 CA ILE A 38 -7.386 -5.085 0.897 1.00 0.00 C ATOM 604 C ILE A 38 -6.316 -5.578 -0.072 1.00 0.00 C ATOM 605 O ILE A 38 -6.366 -5.289 -1.268 1.00 0.00 O ATOM 606 CB ILE A 38 -8.630 -5.984 0.770 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.759 -5.457 1.658 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.285 -7.419 1.139 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.120 -6.011 1.298 1.00 0.00 C ATOM 0 H ILE A 38 -7.848 -3.451 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.006 -5.146 1.917 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.969 -5.967 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.539 -5.704 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.788 -4.370 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.174 -8.043 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.509 -7.790 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.925 -7.454 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.871 -5.594 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.362 -5.742 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.108 -7.097 1.396 1.00 0.00 H new ATOM 621 N TYR A 39 -5.350 -6.324 0.452 1.00 0.00 N ATOM 622 CA TYR A 39 -4.267 -6.857 -0.366 1.00 0.00 C ATOM 623 C TYR A 39 -4.145 -8.368 -0.191 1.00 0.00 C ATOM 624 O TYR A 39 -4.470 -8.910 0.866 1.00 0.00 O ATOM 625 CB TYR A 39 -2.944 -6.182 -0.001 1.00 0.00 C ATOM 626 CG TYR A 39 -2.873 -5.728 1.440 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.671 -4.689 1.902 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.009 -6.340 2.339 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.608 -4.271 3.217 1.00 0.00 C ATOM 630 CE2 TYR A 39 -1.941 -5.930 3.657 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.742 -4.895 4.091 1.00 0.00 C ATOM 632 OH TYR A 39 -2.678 -4.483 5.402 1.00 0.00 O ATOM 0 H TYR A 39 -5.295 -6.573 1.440 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.498 -6.648 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.126 -6.876 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.793 -5.321 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.352 -4.200 1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.379 -7.150 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.234 -3.460 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.264 -6.418 4.343 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.521 -4.697 5.854 1.00 0.00 H new ATOM 642 N TYR A 40 -3.674 -9.041 -1.234 1.00 0.00 N ATOM 643 CA TYR A 40 -3.510 -10.489 -1.198 1.00 0.00 C ATOM 644 C TYR A 40 -2.046 -10.877 -1.385 1.00 0.00 C ATOM 645 O TYR A 40 -1.212 -10.043 -1.741 1.00 0.00 O ATOM 646 CB TYR A 40 -4.365 -11.148 -2.282 1.00 0.00 C ATOM 647 CG TYR A 40 -5.839 -10.829 -2.167 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.340 -9.605 -2.592 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.730 -11.752 -1.635 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.686 -9.309 -2.489 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.077 -11.466 -1.528 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.550 -10.243 -1.956 1.00 0.00 C ATOM 653 OH TYR A 40 -9.891 -9.953 -1.852 1.00 0.00 O ATOM 0 H TYR A 40 -3.399 -8.607 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.839 -10.841 -0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.007 -10.827 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.231 -12.229 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.666 -8.872 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.363 -12.711 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.059 -8.352 -2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.756 -12.196 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.361 -10.717 -1.457 1.00 0.00 H new ATOM 663 N ASP A 41 -1.742 -12.147 -1.143 1.00 0.00 N ATOM 664 CA ASP A 41 -0.379 -12.647 -1.286 1.00 0.00 C ATOM 665 C ASP A 41 0.028 -12.703 -2.755 1.00 0.00 C ATOM 666 O ASP A 41 1.130 -12.293 -3.120 1.00 0.00 O ATOM 667 CB ASP A 41 -0.254 -14.035 -0.656 1.00 0.00 C ATOM 668 CG ASP A 41 1.164 -14.349 -0.222 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.948 -14.835 -1.064 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.490 -14.109 0.959 1.00 0.00 O ATOM 0 H ASP A 41 -2.420 -12.849 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 41 0.290 -11.960 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.918 -14.100 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.587 -14.787 -1.372 1.00 0.00 H new ATOM 675 N ASP A 42 -0.867 -13.213 -3.593 1.00 0.00 N ATOM 676 CA ASP A 42 -0.601 -13.323 -5.023 1.00 0.00 C ATOM 677 C ASP A 42 -1.845 -12.977 -5.835 1.00 0.00 C ATOM 678 O ASP A 42 -2.906 -12.702 -5.275 1.00 0.00 O ATOM 679 CB ASP A 42 -0.128 -14.735 -5.368 1.00 0.00 C ATOM 680 CG ASP A 42 -0.754 -15.790 -4.477 1.00 0.00 C ATOM 681 OD1 ASP A 42 -1.779 -15.488 -3.832 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.218 -16.917 -4.425 1.00 0.00 O ATOM 0 H ASP A 42 -1.784 -13.557 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 42 0.186 -12.613 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.370 -14.952 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.957 -14.784 -5.277 1.00 0.00 H new ATOM 687 N GLN A 43 -1.706 -12.991 -7.157 1.00 0.00 N ATOM 688 CA GLN A 43 -2.818 -12.677 -8.045 1.00 0.00 C ATOM 689 C GLN A 43 -3.948 -13.688 -7.881 1.00 0.00 C ATOM 690 O GLN A 43 -5.037 -13.513 -8.428 1.00 0.00 O ATOM 691 CB GLN A 43 -2.346 -12.654 -9.500 1.00 0.00 C ATOM 692 CG GLN A 43 -1.843 -13.999 -9.998 1.00 0.00 C ATOM 693 CD GLN A 43 -2.967 -14.914 -10.443 1.00 0.00 C ATOM 694 OE1 GLN A 43 -4.133 -14.521 -10.458 1.00 0.00 O ATOM 695 NE2 GLN A 43 -2.621 -16.143 -10.809 1.00 0.00 N ATOM 0 H GLN A 43 -0.834 -13.216 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.196 -11.690 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.169 -12.326 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.550 -11.917 -9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.157 -13.841 -10.830 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.275 -14.486 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.642 -16.427 -10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.335 -16.803 -11.118 1.00 0.00 H new ATOM 704 N THR A 44 -3.682 -14.749 -7.125 1.00 0.00 N ATOM 705 CA THR A 44 -4.675 -15.789 -6.890 1.00 0.00 C ATOM 706 C THR A 44 -5.703 -15.344 -5.856 1.00 0.00 C ATOM 707 O THR A 44 -6.791 -15.913 -5.764 1.00 0.00 O ATOM 708 CB THR A 44 -4.017 -17.097 -6.413 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.278 -16.863 -5.209 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.090 -17.658 -7.481 1.00 0.00 C ATOM 0 H THR A 44 -2.786 -14.910 -6.665 1.00 0.00 H new ATOM 0 HA THR A 44 -5.175 -15.969 -7.842 1.00 0.00 H new ATOM 0 HB THR A 44 -4.805 -17.824 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.225 -15.899 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.637 -18.582 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.660 -17.863 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.307 -16.932 -7.701 1.00 0.00 H new ATOM 718 N ARG A 45 -5.352 -14.324 -5.080 1.00 0.00 N ATOM 719 CA ARG A 45 -6.245 -13.803 -4.052 1.00 0.00 C ATOM 720 C ARG A 45 -6.794 -14.933 -3.185 1.00 0.00 C ATOM 721 O ARG A 45 -7.975 -14.945 -2.841 1.00 0.00 O ATOM 722 CB ARG A 45 -7.399 -13.031 -4.692 1.00 0.00 C ATOM 723 CG ARG A 45 -6.957 -11.782 -5.437 1.00 0.00 C ATOM 724 CD ARG A 45 -8.144 -11.038 -6.031 1.00 0.00 C ATOM 725 NE ARG A 45 -7.763 -10.239 -7.193 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.612 -9.882 -8.150 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.883 -10.252 -8.084 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.190 -9.154 -9.175 1.00 0.00 N ATOM 0 H ARG A 45 -4.455 -13.842 -5.144 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.672 -13.127 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.926 -13.689 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.110 -12.748 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.417 -11.123 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.264 -12.057 -6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.913 -11.754 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.582 -10.389 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.792 -9.939 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.211 -10.812 -7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.533 -9.977 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.213 -8.868 -9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.843 -8.880 -9.909 1.00 0.00 H new ATOM 742 N GLN A 46 -5.928 -15.880 -2.838 1.00 0.00 N ATOM 743 CA GLN A 46 -6.326 -17.014 -2.013 1.00 0.00 C ATOM 744 C GLN A 46 -5.923 -16.798 -0.559 1.00 0.00 C ATOM 745 O GLN A 46 -6.588 -17.280 0.358 1.00 0.00 O ATOM 746 CB GLN A 46 -5.697 -18.304 -2.543 1.00 0.00 C ATOM 747 CG GLN A 46 -6.311 -18.790 -3.846 1.00 0.00 C ATOM 748 CD GLN A 46 -5.907 -20.211 -4.187 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.635 -21.021 -3.300 1.00 0.00 O ATOM 750 NE2 GLN A 46 -5.866 -20.521 -5.477 1.00 0.00 N ATOM 0 H GLN A 46 -4.946 -15.884 -3.115 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.411 -17.101 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.629 -18.143 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.800 -19.085 -1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.397 -18.732 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.008 -18.126 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.099 -19.818 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.601 -21.462 -5.767 1.00 0.00 H new ATOM 759 N SER A 47 -4.829 -16.070 -0.355 1.00 0.00 N ATOM 760 CA SER A 47 -4.334 -15.794 0.989 1.00 0.00 C ATOM 761 C SER A 47 -4.368 -14.297 1.283 1.00 0.00 C ATOM 762 O SER A 47 -3.380 -13.591 1.078 1.00 0.00 O ATOM 763 CB SER A 47 -2.909 -16.325 1.150 1.00 0.00 C ATOM 764 OG SER A 47 -2.647 -16.684 2.495 1.00 0.00 O ATOM 0 H SER A 47 -4.269 -15.661 -1.103 1.00 0.00 H new ATOM 0 HA SER A 47 -4.985 -16.302 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.766 -17.192 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.196 -15.566 0.828 1.00 0.00 H new ATOM 0 HG SER A 47 -1.730 -17.022 2.571 1.00 0.00 H new ATOM 770 N ILE A 48 -5.511 -13.821 1.763 1.00 0.00 N ATOM 771 CA ILE A 48 -5.674 -12.409 2.086 1.00 0.00 C ATOM 772 C ILE A 48 -4.614 -11.946 3.080 1.00 0.00 C ATOM 773 O ILE A 48 -4.622 -12.350 4.243 1.00 0.00 O ATOM 774 CB ILE A 48 -7.070 -12.122 2.671 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.153 -12.416 1.631 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.160 -10.679 3.144 1.00 0.00 C ATOM 777 CD1 ILE A 48 -9.556 -12.387 2.195 1.00 0.00 C ATOM 0 H ILE A 48 -6.338 -14.392 1.937 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.560 -11.857 1.153 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.229 -12.775 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.079 -11.686 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.967 -13.396 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.152 -10.492 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.409 -10.501 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.983 -10.009 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.272 -12.604 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.648 -13.136 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.761 -11.400 2.609 1.00 0.00 H new ATOM 789 N GLU A 49 -3.704 -11.096 2.615 1.00 0.00 N ATOM 790 CA GLU A 49 -2.638 -10.579 3.464 1.00 0.00 C ATOM 791 C GLU A 49 -3.213 -9.864 4.684 1.00 0.00 C ATOM 792 O GLU A 49 -2.969 -10.263 5.822 1.00 0.00 O ATOM 793 CB GLU A 49 -1.745 -9.621 2.672 1.00 0.00 C ATOM 794 CG GLU A 49 -0.580 -10.308 1.980 1.00 0.00 C ATOM 795 CD GLU A 49 0.616 -10.491 2.893 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.414 -10.846 4.073 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.756 -10.279 2.427 1.00 0.00 O ATOM 0 H GLU A 49 -3.684 -10.751 1.655 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.039 -11.423 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.350 -9.108 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.357 -8.858 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.904 -11.282 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.282 -9.722 1.111 1.00 0.00 H new ATOM 804 N ASP A 50 -3.977 -8.806 4.436 1.00 0.00 N ATOM 805 CA ASP A 50 -4.588 -8.035 5.513 1.00 0.00 C ATOM 806 C ASP A 50 -5.539 -6.981 4.955 1.00 0.00 C ATOM 807 O ASP A 50 -5.433 -6.585 3.795 1.00 0.00 O ATOM 808 CB ASP A 50 -3.508 -7.365 6.365 1.00 0.00 C ATOM 809 CG ASP A 50 -4.090 -6.572 7.518 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.446 -7.189 8.544 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.189 -5.333 7.396 1.00 0.00 O ATOM 0 H ASP A 50 -4.188 -8.463 3.499 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.160 -8.720 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.833 -8.127 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.912 -6.703 5.737 1.00 0.00 H new ATOM 816 N LYS A 51 -6.471 -6.532 5.790 1.00 0.00 N ATOM 817 CA LYS A 51 -7.442 -5.524 5.381 1.00 0.00 C ATOM 818 C LYS A 51 -7.391 -4.313 6.307 1.00 0.00 C ATOM 819 O LYS A 51 -7.376 -4.454 7.530 1.00 0.00 O ATOM 820 CB LYS A 51 -8.853 -6.118 5.378 1.00 0.00 C ATOM 821 CG LYS A 51 -9.953 -5.071 5.384 1.00 0.00 C ATOM 822 CD LYS A 51 -11.281 -5.655 4.931 1.00 0.00 C ATOM 823 CE LYS A 51 -11.811 -6.674 5.927 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.283 -6.861 5.800 1.00 0.00 N ATOM 0 H LYS A 51 -6.574 -6.850 6.754 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.189 -5.199 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.970 -6.751 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.970 -6.761 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.059 -4.659 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.675 -4.246 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.009 -4.853 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.158 -6.127 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.309 -7.629 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.572 -6.350 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.605 -7.563 6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.764 -5.956 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.509 -7.195 4.841 1.00 0.00 H new ATOM 838 N VAL A 52 -7.367 -3.123 5.716 1.00 0.00 N ATOM 839 CA VAL A 52 -7.320 -1.887 6.488 1.00 0.00 C ATOM 840 C VAL A 52 -7.940 -0.730 5.711 1.00 0.00 C ATOM 841 O VAL A 52 -7.688 -0.564 4.517 1.00 0.00 O ATOM 842 CB VAL A 52 -5.875 -1.518 6.870 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.793 -0.065 7.314 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.359 -2.445 7.960 1.00 0.00 C ATOM 0 H VAL A 52 -7.379 -2.989 4.705 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.895 -2.060 7.398 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.244 -1.641 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.764 0.177 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.119 0.583 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.437 0.088 8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.336 -2.170 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.992 -2.356 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.378 -3.474 7.602 1.00 0.00 H new ATOM 854 N HIS A 53 -8.752 0.068 6.397 1.00 0.00 N ATOM 855 CA HIS A 53 -9.407 1.212 5.772 1.00 0.00 C ATOM 856 C HIS A 53 -8.444 2.388 5.646 1.00 0.00 C ATOM 857 O HIS A 53 -7.368 2.388 6.242 1.00 0.00 O ATOM 858 CB HIS A 53 -10.636 1.628 6.581 1.00 0.00 C ATOM 859 CG HIS A 53 -11.762 2.142 5.739 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.996 2.477 6.255 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.835 2.381 4.409 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.780 2.897 5.279 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.100 2.849 4.148 1.00 0.00 N ATOM 0 H HIS A 53 -8.972 -0.056 7.385 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.723 0.916 4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.987 0.773 7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.347 2.399 7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.046 2.232 3.687 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.804 3.224 5.387 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.456 3.116 3.230 1.00 0.00 H new ATOM 872 N MET A 54 -8.839 3.388 4.865 1.00 0.00 N ATOM 873 CA MET A 54 -8.010 4.571 4.661 1.00 0.00 C ATOM 874 C MET A 54 -8.529 5.746 5.484 1.00 0.00 C ATOM 875 O MET A 54 -7.911 6.172 6.460 1.00 0.00 O ATOM 876 CB MET A 54 -7.976 4.947 3.179 1.00 0.00 C ATOM 877 CG MET A 54 -6.774 4.385 2.437 1.00 0.00 C ATOM 878 SD MET A 54 -5.207 4.985 3.098 1.00 0.00 S ATOM 879 CE MET A 54 -5.381 6.748 2.836 1.00 0.00 C ATOM 0 H MET A 54 -9.727 3.403 4.363 1.00 0.00 H new ATOM 0 HA MET A 54 -6.998 4.337 4.992 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.888 4.589 2.701 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.974 6.033 3.088 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.794 3.297 2.492 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.845 4.652 1.383 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.495 7.261 3.211 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.492 6.948 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.262 7.110 3.367 1.00 0.00 H new ATOM 889 N PRO A 55 -9.690 6.284 5.082 1.00 0.00 N ATOM 890 CA PRO A 55 -10.317 7.418 5.769 1.00 0.00 C ATOM 891 C PRO A 55 -10.856 7.036 7.143 1.00 0.00 C ATOM 892 O PRO A 55 -11.474 7.853 7.827 1.00 0.00 O ATOM 893 CB PRO A 55 -11.464 7.808 4.834 1.00 0.00 C ATOM 894 CG PRO A 55 -11.784 6.561 4.085 1.00 0.00 C ATOM 895 CD PRO A 55 -10.481 5.827 3.927 1.00 0.00 C ATOM 0 HA PRO A 55 -9.608 8.225 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.328 8.165 5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.168 8.611 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.510 5.955 4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.223 6.791 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.624 4.747 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.993 6.072 2.984 1.00 0.00 H new ATOM 903 N VAL A 56 -10.618 5.791 7.543 1.00 0.00 N ATOM 904 CA VAL A 56 -11.078 5.302 8.837 1.00 0.00 C ATOM 905 C VAL A 56 -9.913 4.796 9.679 1.00 0.00 C ATOM 906 O VAL A 56 -9.762 5.176 10.841 1.00 0.00 O ATOM 907 CB VAL A 56 -12.110 4.170 8.674 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.147 3.299 9.920 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.487 4.744 8.373 1.00 0.00 C ATOM 0 H VAL A 56 -10.109 5.102 6.989 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.550 6.144 9.344 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.810 3.546 7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.881 2.505 9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.163 2.860 10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.423 3.908 10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.204 3.930 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.798 5.392 9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.446 5.322 7.450 1.00 0.00 H new ATOM 919 N ASP A 57 -9.091 3.937 9.087 1.00 0.00 N ATOM 920 CA ASP A 57 -7.937 3.379 9.782 1.00 0.00 C ATOM 921 C ASP A 57 -6.708 4.261 9.589 1.00 0.00 C ATOM 922 O ASP A 57 -6.055 4.654 10.557 1.00 0.00 O ATOM 923 CB ASP A 57 -7.648 1.963 9.280 1.00 0.00 C ATOM 924 CG ASP A 57 -8.343 0.901 10.110 1.00 0.00 C ATOM 925 OD1 ASP A 57 -9.575 0.999 10.286 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.654 -0.026 10.584 1.00 0.00 O ATOM 0 H ASP A 57 -9.202 3.612 8.127 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.169 3.338 10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.969 1.876 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.572 1.787 9.297 1.00 0.00 H new ATOM 931 N CYS A 58 -6.397 4.568 8.335 1.00 0.00 N ATOM 932 CA CYS A 58 -5.244 5.403 8.015 1.00 0.00 C ATOM 933 C CYS A 58 -5.480 6.845 8.450 1.00 0.00 C ATOM 934 O CYS A 58 -6.473 7.465 8.066 1.00 0.00 O ATOM 935 CB CYS A 58 -4.951 5.351 6.515 1.00 0.00 C ATOM 936 SG CYS A 58 -3.635 6.469 5.981 1.00 0.00 S ATOM 0 H CYS A 58 -6.927 4.252 7.523 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.383 5.015 8.559 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.679 4.331 6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.863 5.593 5.969 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.690 6.485 6.874 1.00 0.00 H new ATOM 942 N ILE A 59 -4.563 7.373 9.253 1.00 0.00 N ATOM 943 CA ILE A 59 -4.672 8.743 9.741 1.00 0.00 C ATOM 944 C ILE A 59 -3.656 9.651 9.058 1.00 0.00 C ATOM 945 O ILE A 59 -3.840 10.866 8.991 1.00 0.00 O ATOM 946 CB ILE A 59 -4.467 8.816 11.265 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.201 8.056 11.668 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.681 8.255 11.991 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.543 8.598 12.918 1.00 0.00 C ATOM 0 H ILE A 59 -3.736 6.873 9.580 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.679 9.084 9.502 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.348 9.861 11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.451 7.007 11.825 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.487 8.094 10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.520 8.314 13.068 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.565 8.835 11.724 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.829 7.214 11.702 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.652 8.012 13.144 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.261 9.639 12.759 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.241 8.535 13.753 1.00 0.00 H new ATOM 961 N ASN A 60 -2.582 9.054 8.551 1.00 0.00 N ATOM 962 CA ASN A 60 -1.536 9.809 7.871 1.00 0.00 C ATOM 963 C ASN A 60 -0.792 8.930 6.871 1.00 0.00 C ATOM 964 O ASN A 60 -0.703 7.714 7.045 1.00 0.00 O ATOM 965 CB ASN A 60 -0.552 10.388 8.890 1.00 0.00 C ATOM 966 CG ASN A 60 0.299 11.498 8.306 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.218 12.520 7.854 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.613 11.302 8.312 1.00 0.00 N ATOM 0 H ASN A 60 -2.413 8.049 8.598 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.008 10.627 7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.105 10.771 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.096 9.592 9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.237 12.014 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.998 10.440 8.697 1.00 0.00 H new ATOM 975 N ILE A 61 -0.258 9.553 5.826 1.00 0.00 N ATOM 976 CA ILE A 61 0.480 8.827 4.800 1.00 0.00 C ATOM 977 C ILE A 61 1.889 9.387 4.637 1.00 0.00 C ATOM 978 O ILE A 61 2.070 10.519 4.188 1.00 0.00 O ATOM 979 CB ILE A 61 -0.243 8.882 3.442 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.620 8.224 3.545 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.595 8.203 2.368 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.453 8.365 2.291 1.00 0.00 C ATOM 0 H ILE A 61 -0.323 10.559 5.668 1.00 0.00 H new ATOM 0 HA ILE A 61 0.540 7.789 5.128 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.380 9.927 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.492 7.165 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.162 8.663 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.071 8.250 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.555 8.712 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.760 7.161 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.416 7.875 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.613 9.422 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.932 7.900 1.454 1.00 0.00 H new ATOM 994 N ARG A 62 2.885 8.586 5.002 1.00 0.00 N ATOM 995 CA ARG A 62 4.278 9.002 4.896 1.00 0.00 C ATOM 996 C ARG A 62 4.906 8.473 3.609 1.00 0.00 C ATOM 997 O ARG A 62 4.931 7.265 3.368 1.00 0.00 O ATOM 998 CB ARG A 62 5.074 8.507 6.105 1.00 0.00 C ATOM 999 CG ARG A 62 4.726 9.226 7.398 1.00 0.00 C ATOM 1000 CD ARG A 62 5.614 8.770 8.545 1.00 0.00 C ATOM 1001 NE ARG A 62 5.482 9.632 9.717 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.808 9.255 10.948 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.285 8.037 11.167 1.00 0.00 N ATOM 1004 NH2 ARG A 62 5.659 10.097 11.962 1.00 0.00 N ATOM 0 H ARG A 62 2.753 7.645 5.374 1.00 0.00 H new ATOM 0 HA ARG A 62 4.305 10.091 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.897 7.439 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.138 8.632 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.834 10.302 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.682 9.041 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.357 7.746 8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.653 8.761 8.217 1.00 0.00 H new ATOM 0 HE ARG A 62 5.119 10.576 9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.402 7.388 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.535 7.750 12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.294 11.035 11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.910 9.807 12.907 1.00 0.00 H new ATOM 1018 N THR A 63 5.412 9.385 2.785 1.00 0.00 N ATOM 1019 CA THR A 63 6.038 9.012 1.523 1.00 0.00 C ATOM 1020 C THR A 63 7.308 9.820 1.279 1.00 0.00 C ATOM 1021 O THR A 63 7.392 10.989 1.651 1.00 0.00 O ATOM 1022 CB THR A 63 5.077 9.217 0.337 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.798 10.611 0.168 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.777 8.458 0.557 1.00 0.00 C ATOM 0 H THR A 63 5.400 10.388 2.969 1.00 0.00 H new ATOM 0 HA THR A 63 6.292 7.955 1.597 1.00 0.00 H new ATOM 0 HB THR A 63 5.557 8.831 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.433 11.138 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.114 8.618 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.990 7.394 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.295 8.818 1.466 1.00 0.00 H new ATOM 1032 N GLY A 64 8.295 9.187 0.651 1.00 0.00 N ATOM 1033 CA GLY A 64 9.547 9.863 0.368 1.00 0.00 C ATOM 1034 C GLY A 64 10.508 9.818 1.539 1.00 0.00 C ATOM 1035 O GLY A 64 11.093 8.774 1.832 1.00 0.00 O ATOM 0 H GLY A 64 8.249 8.219 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.017 9.402 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.345 10.902 0.108 1.00 0.00 H new ATOM 1039 N HIS A 65 10.674 10.953 2.211 1.00 0.00 N ATOM 1040 CA HIS A 65 11.573 11.039 3.357 1.00 0.00 C ATOM 1041 C HIS A 65 10.818 10.788 4.659 1.00 0.00 C ATOM 1042 O HIS A 65 11.358 10.201 5.596 1.00 0.00 O ATOM 1043 CB HIS A 65 12.248 12.410 3.401 1.00 0.00 C ATOM 1044 CG HIS A 65 13.140 12.676 2.228 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.234 11.895 1.922 1.00 0.00 N ATOM 1046 CD2 HIS A 65 13.095 13.644 1.282 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.824 12.371 0.840 1.00 0.00 C ATOM 1048 NE2 HIS A 65 14.152 13.432 0.432 1.00 0.00 N ATOM 0 H HIS A 65 10.198 11.826 1.982 1.00 0.00 H new ATOM 0 HA HIS A 65 12.338 10.270 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.480 13.183 3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.833 12.489 4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.364 14.435 1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.706 11.962 0.369 1.00 0.00 H new ATOM 0 HE2 HIS A 65 14.381 14.002 -0.383 1.00 0.00 H new ATOM 1057 N GLU A 66 9.568 11.238 4.709 1.00 0.00 N ATOM 1058 CA GLU A 66 8.741 11.063 5.897 1.00 0.00 C ATOM 1059 C GLU A 66 9.060 9.742 6.592 1.00 0.00 C ATOM 1060 O GLU A 66 9.293 9.704 7.801 1.00 0.00 O ATOM 1061 CB GLU A 66 7.258 11.111 5.525 1.00 0.00 C ATOM 1062 CG GLU A 66 6.697 12.521 5.443 1.00 0.00 C ATOM 1063 CD GLU A 66 6.169 13.017 6.775 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.081 12.562 7.188 1.00 0.00 O ATOM 1065 OE2 GLU A 66 6.842 13.859 7.405 1.00 0.00 O ATOM 0 H GLU A 66 9.106 11.726 3.941 1.00 0.00 H new ATOM 0 HA GLU A 66 8.962 11.879 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.117 10.616 4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.689 10.545 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.475 13.198 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.894 12.546 4.706 1.00 0.00 H new ATOM 1138 N GLN A 71 13.416 1.015 5.558 1.00 0.00 N ATOM 1139 CA GLN A 71 14.568 1.032 4.665 1.00 0.00 C ATOM 1140 C GLN A 71 14.164 0.637 3.248 1.00 0.00 C ATOM 1141 O GLN A 71 13.581 -0.422 3.015 1.00 0.00 O ATOM 1142 CB GLN A 71 15.654 0.086 5.181 1.00 0.00 C ATOM 1143 CG GLN A 71 15.267 -1.382 5.108 1.00 0.00 C ATOM 1144 CD GLN A 71 16.025 -2.236 6.106 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.209 -2.012 6.358 1.00 0.00 O ATOM 1146 NE2 GLN A 71 15.344 -3.220 6.680 1.00 0.00 N ATOM 0 HA GLN A 71 14.963 2.048 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.565 0.242 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.885 0.341 6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.197 -1.481 5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.455 -1.754 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.364 -3.369 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.801 -3.827 7.360 1.00 0.00 H new ATOM 1155 N PRO A 72 14.480 1.507 2.278 1.00 0.00 N ATOM 1156 CA PRO A 72 14.160 1.270 0.867 1.00 0.00 C ATOM 1157 C PRO A 72 14.994 0.145 0.264 1.00 0.00 C ATOM 1158 O PRO A 72 16.142 -0.082 0.645 1.00 0.00 O ATOM 1159 CB PRO A 72 14.499 2.605 0.198 1.00 0.00 C ATOM 1160 CG PRO A 72 15.521 3.225 1.086 1.00 0.00 C ATOM 1161 CD PRO A 72 15.175 2.789 2.483 1.00 0.00 C ATOM 0 HA PRO A 72 13.124 0.960 0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.888 2.456 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.616 3.238 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.525 2.899 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.504 4.312 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.066 2.669 3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.537 3.516 2.985 1.00 0.00 H new ATOM 1169 N PRO A 73 14.405 -0.577 -0.701 1.00 0.00 N ATOM 1170 CA PRO A 73 15.076 -1.691 -1.378 1.00 0.00 C ATOM 1171 C PRO A 73 16.207 -1.220 -2.285 1.00 0.00 C ATOM 1172 O PRO A 73 16.119 -0.159 -2.904 1.00 0.00 O ATOM 1173 CB PRO A 73 13.958 -2.330 -2.205 1.00 0.00 C ATOM 1174 CG PRO A 73 12.979 -1.230 -2.432 1.00 0.00 C ATOM 1175 CD PRO A 73 13.038 -0.363 -1.205 1.00 0.00 C ATOM 0 HA PRO A 73 15.545 -2.375 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.338 -2.723 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.500 -3.164 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.233 -0.660 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.975 -1.626 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.858 0.685 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.288 -0.656 -0.470 1.00 0.00 H new ATOM 1183 N ASP A 74 17.269 -2.015 -2.361 1.00 0.00 N ATOM 1184 CA ASP A 74 18.418 -1.680 -3.195 1.00 0.00 C ATOM 1185 C ASP A 74 17.990 -1.450 -4.641 1.00 0.00 C ATOM 1186 O ASP A 74 17.311 -2.284 -5.238 1.00 0.00 O ATOM 1187 CB ASP A 74 19.464 -2.793 -3.129 1.00 0.00 C ATOM 1188 CG ASP A 74 20.370 -2.666 -1.921 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.862 -1.548 -1.663 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.588 -3.685 -1.232 1.00 0.00 O ATOM 0 H ASP A 74 17.358 -2.896 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 74 18.857 -0.758 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.961 -3.759 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.068 -2.774 -4.036 1.00 0.00 H new ATOM 1195 N GLY A 75 18.393 -0.312 -5.198 1.00 0.00 N ATOM 1196 CA GLY A 75 18.041 0.008 -6.569 1.00 0.00 C ATOM 1197 C GLY A 75 16.729 0.759 -6.671 1.00 0.00 C ATOM 1198 O GLY A 75 16.085 0.760 -7.720 1.00 0.00 O ATOM 0 H GLY A 75 18.957 0.394 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.835 0.608 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.975 -0.913 -7.148 1.00 0.00 H new ATOM 1202 N LYS A 76 16.330 1.401 -5.578 1.00 0.00 N ATOM 1203 CA LYS A 76 15.085 2.160 -5.547 1.00 0.00 C ATOM 1204 C LYS A 76 15.235 3.416 -4.695 1.00 0.00 C ATOM 1205 O LYS A 76 15.813 3.392 -3.608 1.00 0.00 O ATOM 1206 CB LYS A 76 13.948 1.293 -5.001 1.00 0.00 C ATOM 1207 CG LYS A 76 13.631 0.088 -5.870 1.00 0.00 C ATOM 1208 CD LYS A 76 12.848 0.484 -7.110 1.00 0.00 C ATOM 1209 CE LYS A 76 12.337 -0.736 -7.860 1.00 0.00 C ATOM 1210 NZ LYS A 76 13.412 -1.386 -8.660 1.00 0.00 N ATOM 0 H LYS A 76 16.851 1.411 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 76 14.846 2.460 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.212 0.950 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.051 1.905 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.559 -0.402 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.057 -0.637 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.007 1.115 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.483 1.077 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.928 -1.454 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.521 -0.441 -8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.988 -1.896 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.065 -0.660 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.934 -2.056 -8.060 1.00 0.00 H new ATOM 1224 N PRO A 77 14.701 4.539 -5.197 1.00 0.00 N ATOM 1225 CA PRO A 77 14.762 5.826 -4.496 1.00 0.00 C ATOM 1226 C PRO A 77 13.883 5.849 -3.250 1.00 0.00 C ATOM 1227 O PRO A 77 13.363 4.816 -2.827 1.00 0.00 O ATOM 1228 CB PRO A 77 14.240 6.821 -5.536 1.00 0.00 C ATOM 1229 CG PRO A 77 13.375 6.009 -6.437 1.00 0.00 C ATOM 1230 CD PRO A 77 13.998 4.641 -6.487 1.00 0.00 C ATOM 0 HA PRO A 77 15.768 6.049 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.676 7.626 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.059 7.285 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.354 5.959 -6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.324 6.451 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.245 3.860 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.685 4.543 -7.328 1.00 0.00 H new ATOM 1238 N ARG A 78 13.721 7.032 -2.668 1.00 0.00 N ATOM 1239 CA ARG A 78 12.906 7.189 -1.469 1.00 0.00 C ATOM 1240 C ARG A 78 11.492 7.636 -1.828 1.00 0.00 C ATOM 1241 O ARG A 78 10.519 7.212 -1.204 1.00 0.00 O ATOM 1242 CB ARG A 78 13.548 8.202 -0.519 1.00 0.00 C ATOM 1243 CG ARG A 78 14.508 7.577 0.479 1.00 0.00 C ATOM 1244 CD ARG A 78 14.632 8.422 1.737 1.00 0.00 C ATOM 1245 NE ARG A 78 15.934 8.262 2.378 1.00 0.00 N ATOM 1246 CZ ARG A 78 17.081 8.623 1.813 1.00 0.00 C ATOM 1247 NH1 ARG A 78 17.086 9.162 0.602 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.226 8.445 2.460 1.00 0.00 N ATOM 0 H ARG A 78 14.143 7.896 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 78 12.847 6.221 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.083 8.949 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.762 8.726 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.161 6.578 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.489 7.462 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.478 9.471 1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.846 8.144 2.439 1.00 0.00 H new ATOM 0 HE ARG A 78 15.965 7.850 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.208 9.300 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.968 9.438 0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.226 8.031 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.106 8.723 2.025 1.00 0.00 H new ATOM 1262 N ASP A 79 11.387 8.495 -2.836 1.00 0.00 N ATOM 1263 CA ASP A 79 10.093 9.000 -3.278 1.00 0.00 C ATOM 1264 C ASP A 79 9.184 7.856 -3.717 1.00 0.00 C ATOM 1265 O ASP A 79 7.982 8.043 -3.908 1.00 0.00 O ATOM 1266 CB ASP A 79 10.274 9.993 -4.427 1.00 0.00 C ATOM 1267 CG ASP A 79 11.239 11.110 -4.080 1.00 0.00 C ATOM 1268 OD1 ASP A 79 10.830 12.044 -3.359 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.402 11.050 -4.529 1.00 0.00 O ATOM 0 H ASP A 79 12.183 8.856 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 79 9.624 9.511 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.637 9.463 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.306 10.421 -4.689 1.00 0.00 H new ATOM 1274 N CYS A 80 9.767 6.673 -3.876 1.00 0.00 N ATOM 1275 CA CYS A 80 9.010 5.498 -4.295 1.00 0.00 C ATOM 1276 C CYS A 80 8.545 4.692 -3.086 1.00 0.00 C ATOM 1277 O CYS A 80 8.086 3.557 -3.223 1.00 0.00 O ATOM 1278 CB CYS A 80 9.860 4.619 -5.213 1.00 0.00 C ATOM 1279 SG CYS A 80 11.204 3.752 -4.368 1.00 0.00 S ATOM 0 H CYS A 80 10.761 6.502 -3.721 1.00 0.00 H new ATOM 0 HA CYS A 80 8.131 5.838 -4.842 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.215 3.885 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.282 5.239 -6.003 1.00 0.00 H new ATOM 0 HG CYS A 80 11.744 4.541 -3.487 1.00 0.00 H new ATOM 1285 N LEU A 81 8.668 5.285 -1.904 1.00 0.00 N ATOM 1286 CA LEU A 81 8.261 4.622 -0.670 1.00 0.00 C ATOM 1287 C LEU A 81 6.870 5.078 -0.239 1.00 0.00 C ATOM 1288 O LEU A 81 6.597 6.276 -0.152 1.00 0.00 O ATOM 1289 CB LEU A 81 9.271 4.908 0.443 1.00 0.00 C ATOM 1290 CG LEU A 81 10.641 4.247 0.291 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.605 4.768 1.346 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.516 2.733 0.382 1.00 0.00 C ATOM 0 H LEU A 81 9.046 6.223 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 81 8.229 3.549 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.415 5.987 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.838 4.587 1.391 1.00 0.00 H new ATOM 0 HG LEU A 81 11.038 4.500 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.575 4.286 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.718 5.846 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.213 4.545 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.501 2.279 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.097 2.460 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.860 2.374 -0.411 1.00 0.00 H new ATOM 1304 N LEU A 82 5.995 4.115 0.030 1.00 0.00 N ATOM 1305 CA LEU A 82 4.632 4.417 0.455 1.00 0.00 C ATOM 1306 C LEU A 82 4.343 3.815 1.825 1.00 0.00 C ATOM 1307 O LEU A 82 4.520 2.615 2.036 1.00 0.00 O ATOM 1308 CB LEU A 82 3.629 3.887 -0.571 1.00 0.00 C ATOM 1309 CG LEU A 82 2.213 4.457 -0.481 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.091 5.719 -1.321 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.191 3.419 -0.922 1.00 0.00 C ATOM 0 H LEU A 82 6.205 3.119 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 82 4.531 5.500 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.018 4.090 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.570 2.804 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 82 2.012 4.717 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.077 6.110 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.797 6.467 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.312 5.486 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.189 3.842 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.390 3.128 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.261 2.543 -0.278 1.00 0.00 H new ATOM 1323 N GLN A 83 3.894 4.655 2.753 1.00 0.00 N ATOM 1324 CA GLN A 83 3.578 4.204 4.103 1.00 0.00 C ATOM 1325 C GLN A 83 2.173 4.638 4.507 1.00 0.00 C ATOM 1326 O GLN A 83 1.680 5.673 4.058 1.00 0.00 O ATOM 1327 CB GLN A 83 4.601 4.753 5.099 1.00 0.00 C ATOM 1328 CG GLN A 83 4.793 3.871 6.322 1.00 0.00 C ATOM 1329 CD GLN A 83 5.922 4.348 7.214 1.00 0.00 C ATOM 1330 OE1 GLN A 83 5.689 4.966 8.253 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.155 4.062 6.812 1.00 0.00 N ATOM 0 H GLN A 83 3.741 5.651 2.594 1.00 0.00 H new ATOM 0 HA GLN A 83 3.619 3.115 4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.559 4.873 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.285 5.745 5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.867 3.846 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.996 2.850 6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.302 3.547 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.955 4.357 7.372 1.00 0.00 H new ATOM 1340 N ILE A 84 1.534 3.840 5.356 1.00 0.00 N ATOM 1341 CA ILE A 84 0.186 4.143 5.820 1.00 0.00 C ATOM 1342 C ILE A 84 0.091 4.036 7.339 1.00 0.00 C ATOM 1343 O ILE A 84 -0.026 2.942 7.889 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.853 3.200 5.185 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.612 3.080 3.679 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.263 3.702 5.463 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.952 4.338 2.910 1.00 0.00 C ATOM 0 H ILE A 84 1.928 2.979 5.736 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.030 5.167 5.515 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.745 2.211 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.435 2.830 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.206 2.254 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.986 3.025 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.430 3.741 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.384 4.700 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.756 4.180 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.006 4.578 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.339 5.163 3.273 1.00 0.00 H new ATOM 1359 N VAL A 85 0.141 5.182 8.011 1.00 0.00 N ATOM 1360 CA VAL A 85 0.057 5.219 9.466 1.00 0.00 C ATOM 1361 C VAL A 85 -1.364 4.939 9.942 1.00 0.00 C ATOM 1362 O VAL A 85 -2.334 5.394 9.335 1.00 0.00 O ATOM 1363 CB VAL A 85 0.513 6.582 10.020 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.521 6.565 11.541 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.887 6.945 9.476 1.00 0.00 C ATOM 0 H VAL A 85 0.239 6.097 7.571 1.00 0.00 H new ATOM 0 HA VAL A 85 0.722 4.441 9.841 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.195 7.343 9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.846 7.536 11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.483 6.353 11.908 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.206 5.794 11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.194 7.911 9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.608 6.183 9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.844 7.001 8.388 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.479 4.189 11.032 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.782 3.847 11.591 1.00 0.00 C ATOM 1377 C CYS A 86 -3.045 4.627 12.875 1.00 0.00 C ATOM 1378 O CYS A 86 -2.254 5.487 13.263 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.865 2.345 11.866 1.00 0.00 C ATOM 1380 SG CYS A 86 -3.435 1.366 10.457 1.00 0.00 S ATOM 0 H CYS A 86 -0.686 3.806 11.546 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.545 4.117 10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.881 1.987 12.169 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.538 2.177 12.707 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.469 0.109 10.787 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.160 4.321 13.530 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.529 4.995 14.769 1.00 0.00 C ATOM 1388 C ARG A 87 -3.856 4.333 15.968 1.00 0.00 C ATOM 1389 O ARG A 87 -3.426 5.010 16.902 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.047 4.981 14.950 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.810 5.498 13.741 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.222 4.934 13.690 1.00 0.00 C ATOM 1393 NE ARG A 87 -9.154 5.720 14.494 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.389 5.326 14.781 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.839 4.162 14.333 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -11.178 6.096 15.519 1.00 0.00 N ATOM 0 H ARG A 87 -4.824 3.610 13.223 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.188 6.028 14.707 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.369 3.962 15.164 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.306 5.586 15.819 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.853 6.587 13.775 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.276 5.228 12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.566 4.910 12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.214 3.904 14.047 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.839 6.621 14.855 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.236 3.566 13.766 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.788 3.862 14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.836 6.992 15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.127 5.792 15.739 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.771 3.008 15.935 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.150 2.255 17.019 1.00 0.00 C ATOM 1412 C ASP A 88 -1.637 2.193 16.840 1.00 0.00 C ATOM 1413 O ASP A 88 -0.980 1.280 17.340 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.728 0.840 17.080 1.00 0.00 C ATOM 1415 CG ASP A 88 -5.005 0.770 17.893 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -6.089 0.998 17.316 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -4.922 0.489 19.107 1.00 0.00 O ATOM 0 H ASP A 88 -4.124 2.433 15.170 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.365 2.768 17.956 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.926 0.488 16.068 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.988 0.167 17.513 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.089 3.170 16.124 1.00 0.00 N ATOM 1423 CA GLY A 89 0.343 3.207 15.891 1.00 0.00 C ATOM 1424 C GLY A 89 0.759 2.362 14.704 1.00 0.00 C ATOM 1425 O GLY A 89 1.665 2.731 13.956 1.00 0.00 O ATOM 0 H GLY A 89 -1.612 3.937 15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.655 4.238 15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.862 2.856 16.783 1.00 0.00 H new ATOM 1429 N LYS A 90 0.098 1.223 14.529 1.00 0.00 N ATOM 1430 CA LYS A 90 0.404 0.321 13.424 1.00 0.00 C ATOM 1431 C LYS A 90 0.801 1.105 12.177 1.00 0.00 C ATOM 1432 O LYS A 90 0.316 2.213 11.946 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.801 -0.570 13.118 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.569 -1.533 11.966 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.759 -2.454 11.760 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.563 -3.357 10.551 1.00 0.00 C ATOM 1437 NZ LYS A 90 -1.568 -2.586 9.277 1.00 0.00 N ATOM 0 H LYS A 90 -0.654 0.902 15.139 1.00 0.00 H new ATOM 0 HA LYS A 90 1.245 -0.306 13.721 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.057 -1.140 14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.659 0.061 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.382 -0.970 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.323 -2.128 12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.907 -3.064 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.663 -1.859 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.619 -3.893 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.354 -4.106 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.568 -3.245 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.419 -1.989 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.721 -1.985 9.232 1.00 0.00 H new ATOM 1451 N THR A 91 1.685 0.521 11.374 1.00 0.00 N ATOM 1452 CA THR A 91 2.146 1.164 10.150 1.00 0.00 C ATOM 1453 C THR A 91 2.531 0.131 9.097 1.00 0.00 C ATOM 1454 O THR A 91 3.171 -0.874 9.406 1.00 0.00 O ATOM 1455 CB THR A 91 3.354 2.082 10.418 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.074 2.950 11.522 1.00 0.00 O ATOM 1457 CG2 THR A 91 3.688 2.910 9.187 1.00 0.00 C ATOM 0 H THR A 91 2.096 -0.396 11.549 1.00 0.00 H new ATOM 0 HA THR A 91 1.317 1.766 9.778 1.00 0.00 H new ATOM 0 HB THR A 91 4.213 1.455 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.847 3.529 11.687 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.544 3.550 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.929 2.246 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.830 3.528 8.920 1.00 0.00 H new ATOM 1465 N ILE A 92 2.137 0.385 7.854 1.00 0.00 N ATOM 1466 CA ILE A 92 2.443 -0.523 6.756 1.00 0.00 C ATOM 1467 C ILE A 92 3.505 0.067 5.834 1.00 0.00 C ATOM 1468 O ILE A 92 3.329 1.154 5.283 1.00 0.00 O ATOM 1469 CB ILE A 92 1.186 -0.850 5.929 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.093 -1.429 6.829 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.526 -1.822 4.809 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.305 -1.232 6.286 1.00 0.00 C ATOM 0 H ILE A 92 1.605 1.212 7.582 1.00 0.00 H new ATOM 0 HA ILE A 92 2.823 -1.442 7.203 1.00 0.00 H new ATOM 0 HB ILE A 92 0.813 0.072 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.274 -2.495 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.160 -0.965 7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.627 -2.043 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.275 -1.376 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.920 -2.745 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.028 -1.667 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.505 -0.166 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.390 -1.720 5.315 1.00 0.00 H new ATOM 1484 N SER A 93 4.607 -0.658 5.669 1.00 0.00 N ATOM 1485 CA SER A 93 5.699 -0.205 4.815 1.00 0.00 C ATOM 1486 C SER A 93 5.557 -0.772 3.406 1.00 0.00 C ATOM 1487 O SER A 93 5.588 -1.987 3.207 1.00 0.00 O ATOM 1488 CB SER A 93 7.046 -0.620 5.411 1.00 0.00 C ATOM 1489 OG SER A 93 7.090 -0.357 6.803 1.00 0.00 O ATOM 0 H SER A 93 4.767 -1.561 6.115 1.00 0.00 H new ATOM 0 HA SER A 93 5.655 0.883 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.214 -1.682 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.850 -0.081 4.910 1.00 0.00 H new ATOM 0 HG SER A 93 7.960 -0.632 7.161 1.00 0.00 H new ATOM 1495 N LEU A 94 5.401 0.116 2.431 1.00 0.00 N ATOM 1496 CA LEU A 94 5.255 -0.294 1.038 1.00 0.00 C ATOM 1497 C LEU A 94 6.238 0.455 0.144 1.00 0.00 C ATOM 1498 O LEU A 94 6.814 1.465 0.548 1.00 0.00 O ATOM 1499 CB LEU A 94 3.823 -0.045 0.561 1.00 0.00 C ATOM 1500 CG LEU A 94 2.711 -0.517 1.499 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.431 0.262 1.245 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.471 -2.011 1.332 1.00 0.00 C ATOM 0 H LEU A 94 5.372 1.125 2.579 1.00 0.00 H new ATOM 0 HA LEU A 94 5.473 -1.360 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.699 1.025 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.692 -0.537 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 94 3.026 -0.332 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.652 -0.088 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.611 1.323 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.111 0.110 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.677 -2.330 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.178 -2.220 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.386 -2.555 1.566 1.00 0.00 H new ATOM 1514 N CYS A 95 6.422 -0.046 -1.072 1.00 0.00 N ATOM 1515 CA CYS A 95 7.335 0.575 -2.025 1.00 0.00 C ATOM 1516 C CYS A 95 6.918 0.265 -3.459 1.00 0.00 C ATOM 1517 O CYS A 95 6.553 -0.866 -3.779 1.00 0.00 O ATOM 1518 CB CYS A 95 8.766 0.094 -1.782 1.00 0.00 C ATOM 1519 SG CYS A 95 9.977 0.759 -2.948 1.00 0.00 S ATOM 0 H CYS A 95 5.951 -0.881 -1.422 1.00 0.00 H new ATOM 0 HA CYS A 95 7.293 1.654 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.063 0.369 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.786 -0.995 -1.836 1.00 0.00 H new ATOM 0 HG CYS A 95 9.831 2.048 -3.038 1.00 0.00 H new ATOM 1525 N ALA A 96 6.973 1.278 -4.318 1.00 0.00 N ATOM 1526 CA ALA A 96 6.602 1.113 -5.718 1.00 0.00 C ATOM 1527 C ALA A 96 7.837 1.045 -6.610 1.00 0.00 C ATOM 1528 O ALA A 96 8.918 1.488 -6.222 1.00 0.00 O ATOM 1529 CB ALA A 96 5.691 2.249 -6.160 1.00 0.00 C ATOM 0 H ALA A 96 7.271 2.221 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 96 6.063 0.170 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.422 2.113 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.788 2.249 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.210 3.200 -6.039 1.00 0.00 H new ATOM 1535 N GLU A 97 7.669 0.487 -7.805 1.00 0.00 N ATOM 1536 CA GLU A 97 8.772 0.361 -8.750 1.00 0.00 C ATOM 1537 C GLU A 97 9.491 1.695 -8.929 1.00 0.00 C ATOM 1538 O GLU A 97 10.702 1.791 -8.728 1.00 0.00 O ATOM 1539 CB GLU A 97 8.260 -0.140 -10.102 1.00 0.00 C ATOM 1540 CG GLU A 97 9.358 -0.661 -11.014 1.00 0.00 C ATOM 1541 CD GLU A 97 9.749 -2.092 -10.697 1.00 0.00 C ATOM 1542 OE1 GLU A 97 8.842 -2.927 -10.506 1.00 0.00 O ATOM 1543 OE2 GLU A 97 10.965 -2.375 -10.641 1.00 0.00 O ATOM 0 H GLU A 97 6.781 0.115 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 97 9.481 -0.363 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.532 -0.934 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.736 0.672 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.024 -0.600 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.235 -0.020 -10.924 1.00 0.00 H new ATOM 1550 N SER A 98 8.736 2.721 -9.308 1.00 0.00 N ATOM 1551 CA SER A 98 9.301 4.049 -9.518 1.00 0.00 C ATOM 1552 C SER A 98 8.423 5.120 -8.879 1.00 0.00 C ATOM 1553 O SER A 98 7.263 4.874 -8.548 1.00 0.00 O ATOM 1554 CB SER A 98 9.459 4.328 -11.014 1.00 0.00 C ATOM 1555 OG SER A 98 8.203 4.310 -11.671 1.00 0.00 O ATOM 0 H SER A 98 7.732 2.658 -9.476 1.00 0.00 H new ATOM 0 HA SER A 98 10.282 4.079 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.935 5.298 -11.158 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.117 3.581 -11.459 1.00 0.00 H new ATOM 0 HG SER A 98 8.330 4.493 -12.625 1.00 0.00 H new ATOM 1561 N THR A 99 8.986 6.313 -8.707 1.00 0.00 N ATOM 1562 CA THR A 99 8.256 7.423 -8.107 1.00 0.00 C ATOM 1563 C THR A 99 6.845 7.524 -8.674 1.00 0.00 C ATOM 1564 O THR A 99 5.865 7.528 -7.929 1.00 0.00 O ATOM 1565 CB THR A 99 8.985 8.761 -8.332 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.280 8.722 -7.723 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.183 9.918 -7.756 1.00 0.00 C ATOM 0 H THR A 99 9.945 6.535 -8.975 1.00 0.00 H new ATOM 0 HA THR A 99 8.200 7.223 -7.037 1.00 0.00 H new ATOM 0 HB THR A 99 9.093 8.914 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.737 9.576 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.718 10.852 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.209 9.963 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.047 9.769 -6.685 1.00 0.00 H new ATOM 1575 N ASP A 100 6.748 7.604 -9.997 1.00 0.00 N ATOM 1576 CA ASP A 100 5.456 7.704 -10.664 1.00 0.00 C ATOM 1577 C ASP A 100 4.471 6.688 -10.095 1.00 0.00 C ATOM 1578 O ASP A 100 3.321 7.019 -9.803 1.00 0.00 O ATOM 1579 CB ASP A 100 5.617 7.488 -12.170 1.00 0.00 C ATOM 1580 CG ASP A 100 4.412 7.965 -12.956 1.00 0.00 C ATOM 1581 OD1 ASP A 100 3.692 8.855 -12.457 1.00 0.00 O ATOM 1582 OD2 ASP A 100 4.188 7.448 -14.070 1.00 0.00 O ATOM 0 H ASP A 100 7.549 7.601 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 100 5.061 8.705 -10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.505 8.016 -12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.779 6.428 -12.367 1.00 0.00 H new ATOM 1587 N ASP A 101 4.928 5.450 -9.942 1.00 0.00 N ATOM 1588 CA ASP A 101 4.087 4.385 -9.408 1.00 0.00 C ATOM 1589 C ASP A 101 3.597 4.731 -8.005 1.00 0.00 C ATOM 1590 O ASP A 101 2.411 4.600 -7.702 1.00 0.00 O ATOM 1591 CB ASP A 101 4.857 3.063 -9.381 1.00 0.00 C ATOM 1592 CG ASP A 101 4.761 2.311 -10.694 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.823 2.589 -11.470 1.00 0.00 O ATOM 1594 OD2 ASP A 101 5.623 1.442 -10.945 1.00 0.00 O ATOM 0 H ASP A 101 5.876 5.159 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 101 3.220 4.279 -10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.905 3.261 -9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.470 2.436 -8.577 1.00 0.00 H new ATOM 1599 N CYS A 102 4.518 5.171 -7.155 1.00 0.00 N ATOM 1600 CA CYS A 102 4.180 5.534 -5.783 1.00 0.00 C ATOM 1601 C CYS A 102 3.205 6.707 -5.756 1.00 0.00 C ATOM 1602 O CYS A 102 2.123 6.616 -5.173 1.00 0.00 O ATOM 1603 CB CYS A 102 5.445 5.888 -5.001 1.00 0.00 C ATOM 1604 SG CYS A 102 5.137 6.420 -3.300 1.00 0.00 S ATOM 0 H CYS A 102 5.504 5.285 -7.391 1.00 0.00 H new ATOM 0 HA CYS A 102 3.700 4.675 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.104 5.020 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.975 6.681 -5.528 1.00 0.00 H new ATOM 0 HG CYS A 102 6.079 7.233 -2.922 1.00 0.00 H new ATOM 1610 N LEU A 103 3.595 7.808 -6.388 1.00 0.00 N ATOM 1611 CA LEU A 103 2.756 9.001 -6.435 1.00 0.00 C ATOM 1612 C LEU A 103 1.324 8.645 -6.820 1.00 0.00 C ATOM 1613 O LEU A 103 0.371 9.079 -6.174 1.00 0.00 O ATOM 1614 CB LEU A 103 3.328 10.011 -7.431 1.00 0.00 C ATOM 1615 CG LEU A 103 4.524 10.830 -6.944 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.933 11.852 -7.993 1.00 0.00 C ATOM 1617 CD2 LEU A 103 4.200 11.516 -5.625 1.00 0.00 C ATOM 0 H LEU A 103 4.486 7.900 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 103 2.745 9.447 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.623 9.475 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.533 10.700 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 103 5.362 10.152 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.785 12.426 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.208 11.338 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.099 12.526 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.063 12.094 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.348 12.182 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.957 10.764 -4.874 1.00 0.00 H new ATOM 1629 N ALA A 104 1.181 7.850 -7.875 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.135 7.431 -8.343 1.00 0.00 C ATOM 1631 C ALA A 104 -1.002 6.948 -7.186 1.00 0.00 C ATOM 1632 O ALA A 104 -2.049 7.529 -6.898 1.00 0.00 O ATOM 1633 CB ALA A 104 0.002 6.340 -9.394 1.00 0.00 C ATOM 0 H ALA A 104 1.960 7.483 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.625 8.295 -8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.988 6.037 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.576 6.719 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.516 5.481 -8.962 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.560 5.884 -6.526 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.297 5.322 -5.400 1.00 0.00 C ATOM 1641 C TRP A 105 -1.601 6.395 -4.360 1.00 0.00 C ATOM 1642 O TRP A 105 -2.758 6.614 -3.999 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.501 4.184 -4.759 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.797 2.842 -5.357 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.014 2.115 -6.181 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.989 2.069 -5.180 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.601 0.936 -6.526 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.831 0.883 -5.924 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.173 2.262 -4.463 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.813 -0.102 -5.971 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.147 1.283 -4.511 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.963 0.113 -5.260 1.00 0.00 C ATOM 0 H TRP A 105 0.305 5.393 -6.751 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.241 4.928 -5.776 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.564 4.393 -4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.719 4.154 -3.691 1.00 0.00 H new ATOM 0 HD1 TRP A 105 0.995 2.422 -6.513 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.206 0.217 -7.132 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.324 3.160 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.673 -1.004 -6.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.066 1.422 -3.962 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.743 -0.633 -5.277 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.556 7.062 -3.881 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.711 8.113 -2.883 1.00 0.00 C ATOM 1665 C LYS A 106 -1.908 9.001 -3.209 1.00 0.00 C ATOM 1666 O LYS A 106 -2.833 9.132 -2.406 1.00 0.00 O ATOM 1667 CB LYS A 106 0.560 8.962 -2.804 1.00 0.00 C ATOM 1668 CG LYS A 106 0.370 10.274 -2.064 1.00 0.00 C ATOM 1669 CD LYS A 106 1.684 10.794 -1.504 1.00 0.00 C ATOM 1670 CE LYS A 106 1.690 12.312 -1.414 1.00 0.00 C ATOM 1671 NZ LYS A 106 2.955 12.828 -0.822 1.00 0.00 N ATOM 0 H LYS A 106 0.408 6.893 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.885 7.639 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.342 8.386 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.910 9.172 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.057 11.015 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.343 10.135 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.852 10.369 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.507 10.463 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.556 12.735 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.845 12.643 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.735 13.419 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.552 12.029 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.462 13.397 -1.529 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.886 9.606 -4.391 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.970 10.481 -4.823 1.00 0.00 C ATOM 1687 C PHE A 107 -4.327 9.842 -4.546 1.00 0.00 C ATOM 1688 O PHE A 107 -5.219 10.472 -3.976 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.836 10.795 -6.315 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.518 11.414 -6.681 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -0.975 12.428 -5.909 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.821 10.982 -7.798 1.00 0.00 C ATOM 1693 CE1 PHE A 107 0.238 13.000 -6.245 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.393 11.549 -8.139 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.923 12.559 -7.360 1.00 0.00 C ATOM 0 H PHE A 107 -1.129 9.507 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.903 11.409 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.967 9.875 -6.885 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.640 11.470 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.505 12.776 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.231 10.192 -8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.650 13.791 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.926 11.203 -9.012 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.872 13.003 -7.623 1.00 0.00 H new ATOM 1705 N THR A 108 -4.478 8.586 -4.954 1.00 0.00 N ATOM 1706 CA THR A 108 -5.726 7.861 -4.752 1.00 0.00 C ATOM 1707 C THR A 108 -6.038 7.707 -3.268 1.00 0.00 C ATOM 1708 O THR A 108 -7.134 8.041 -2.816 1.00 0.00 O ATOM 1709 CB THR A 108 -5.677 6.465 -5.403 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.284 6.578 -6.775 1.00 0.00 O ATOM 1711 CG2 THR A 108 -7.031 5.778 -5.312 1.00 0.00 C ATOM 0 H THR A 108 -3.751 8.049 -5.427 1.00 0.00 H new ATOM 0 HA THR A 108 -6.513 8.447 -5.227 1.00 0.00 H new ATOM 0 HB THR A 108 -4.945 5.862 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.689 5.851 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.972 4.794 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.313 5.667 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.780 6.379 -5.828 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.070 7.200 -2.514 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.241 7.002 -1.079 1.00 0.00 C ATOM 1721 C LEU A 109 -5.702 8.289 -0.403 1.00 0.00 C ATOM 1722 O LEU A 109 -6.656 8.285 0.375 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.931 6.523 -0.450 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.383 5.195 -0.972 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.924 5.028 -0.576 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.215 4.032 -0.450 1.00 0.00 C ATOM 0 H LEU A 109 -4.158 6.918 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.007 6.241 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.174 7.292 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.079 6.434 0.626 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.445 5.201 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.550 4.077 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.337 5.843 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.838 5.044 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.810 3.095 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.185 4.023 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.247 4.144 -0.783 1.00 0.00 H new ATOM 1738 N GLN A 110 -5.021 9.389 -0.708 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.363 10.683 -0.131 1.00 0.00 C ATOM 1740 C GLN A 110 -6.765 11.113 -0.549 1.00 0.00 C ATOM 1741 O GLN A 110 -7.493 11.730 0.228 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.344 11.741 -0.559 1.00 0.00 C ATOM 1743 CG GLN A 110 -3.065 11.722 0.263 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.415 13.088 0.362 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -1.448 13.348 -0.511 1.00 0.00 O flip ATOM 1746 NE2 GLN A 110 -2.777 13.901 1.213 1.00 0.00 N flip ATOM 0 H GLN A 110 -4.230 9.410 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.342 10.585 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.094 11.588 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.802 12.727 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.287 11.356 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.361 11.020 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.524 13.659 1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.330 14.816 1.267 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.137 10.783 -1.781 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.453 11.134 -2.303 1.00 0.00 C ATOM 1757 C ASP A 111 -9.556 10.465 -1.488 1.00 0.00 C ATOM 1758 O ASP A 111 -10.626 11.039 -1.285 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.568 10.726 -3.772 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.781 11.334 -4.448 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.931 12.573 -4.398 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.581 10.570 -5.029 1.00 0.00 O ATOM 0 H ASP A 111 -6.546 10.273 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.572 12.215 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.667 11.034 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.623 9.640 -3.841 1.00 0.00 H new ATOM 1767 N SER A 112 -9.288 9.248 -1.026 1.00 0.00 N ATOM 1768 CA SER A 112 -10.260 8.498 -0.238 1.00 0.00 C ATOM 1769 C SER A 112 -10.516 9.182 1.101 1.00 0.00 C ATOM 1770 O SER A 112 -11.460 8.840 1.814 1.00 0.00 O ATOM 1771 CB SER A 112 -9.767 7.068 -0.008 1.00 0.00 C ATOM 1772 OG SER A 112 -8.892 7.003 1.104 1.00 0.00 O ATOM 0 H SER A 112 -8.406 8.760 -1.183 1.00 0.00 H new ATOM 0 HA SER A 112 -11.196 8.466 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.619 6.408 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.254 6.709 -0.900 1.00 0.00 H new ATOM 0 HG SER A 112 -8.025 7.389 0.861 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.669 10.150 1.436 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.802 10.881 2.690 1.00 0.00 C ATOM 1780 C ARG A 113 -10.607 12.162 2.490 1.00 0.00 C ATOM 1781 O ARG A 113 -10.310 13.195 3.091 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.422 11.217 3.258 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.435 10.063 3.181 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.002 10.545 3.345 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.689 10.872 4.733 1.00 0.00 N ATOM 1786 CZ ARG A 113 -4.572 11.483 5.111 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -3.666 11.833 4.208 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -4.360 11.747 6.394 1.00 0.00 N ATOM 0 H ARG A 113 -8.884 10.446 0.856 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.334 10.245 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.013 12.070 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.531 11.522 4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.666 9.333 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.542 9.555 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.318 9.774 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.842 11.424 2.721 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.366 10.617 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.826 11.633 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.809 12.302 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.055 11.481 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.502 12.216 6.683 1.00 0.00 H new