USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 650 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: B 31 ASN : amide:sc= -5.97! C(o=-7.8!,f=-7.5!) USER MOD Set 1.2: B 35 GLN : amide:sc= -1.84 K(o=-7.8,f=-5.5) USER MOD Set 2.1: B 18 MET CE :methyl 136:sc= -13.9! (180deg=-12!) USER MOD Set 2.2: B 29 MET CE :methyl 175:sc= -9.99! (180deg=-8.81!) USER MOD Set 3.1: A 31 ASN : amide:sc= -4.18! K(o=-5.8!,f=-1.3) USER MOD Set 3.2: A 35 GLN : amide:sc= -1.62! K(o=-5.8!,f=-1.3) USER MOD Set 4.1: A 18 MET CE :methyl 144:sc= -8.43! (180deg=-11.3!) USER MOD Set 4.2: A 29 MET CE :methyl -156:sc= -8.76! (180deg=-12.9!) USER MOD Set 5.1: A 4 CYS SG : rot 46:sc= -5.46! USER MOD Set 5.2: B 4 CYS SG : rot 110:sc= -5.36! USER MOD Single : A 1 ARG N :NH3+ -167:sc= 1.68 (180deg=1.47) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 11 THR OG1 : rot 161:sc= -2.22! USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.173 (180deg=-0.625) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.378 (180deg=-0.958) USER MOD Single : A 27 SER OG : rot 157:sc= 0.646 USER MOD Single : A 36 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ARG N :NH3+ -172:sc= 2.33 (180deg=1.95) USER MOD Single : B 8 SER OG : rot 180:sc= 0.112 USER MOD Single : B 10 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.8!) USER MOD Single : B 11 THR OG1 : rot 112:sc= -0.743 USER MOD Single : B 17 LYS NZ :NH3+ 152:sc= -0.0354 (180deg=-0.547) USER MOD Single : B 25 SER OG : rot 180:sc= 0.165 USER MOD Single : B 26 LYS NZ :NH3+ -151:sc= -0.0544 (180deg=-1.45!) USER MOD Single : B 27 SER OG : rot 128:sc= 0.317 USER MOD Single : B 36 HIS : no HE2:sc= -23.5! C(o=-23!,f=-26!) USER MOD Single : B 37 TYR OH : rot 180:sc= -0.419 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.253 -2.158 12.566 1.00 0.00 N ATOM 2 CA ARG A 1 -5.256 -1.152 12.116 1.00 0.00 C ATOM 3 C ARG A 1 -5.888 -1.544 10.779 1.00 0.00 C ATOM 4 O ARG A 1 -5.242 -1.455 9.732 1.00 0.00 O ATOM 5 CB ARG A 1 -4.565 0.206 11.983 1.00 0.00 C ATOM 6 CG ARG A 1 -5.495 1.319 11.531 1.00 0.00 C ATOM 7 CD ARG A 1 -5.345 2.538 12.406 1.00 0.00 C ATOM 8 NE ARG A 1 -6.597 3.257 12.576 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.150 4.054 11.654 1.00 0.00 C ATOM 10 NH1 ARG A 1 -6.557 4.244 10.478 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.302 4.664 11.912 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.008 -1.983 13.562 1.00 0.00 H new ATOM 0 H2 ARG A 1 -4.653 -3.113 12.470 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.397 -2.081 11.981 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.055 -1.103 12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.127 0.477 12.944 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -3.744 0.118 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.278 1.581 10.496 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.527 0.970 11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.967 2.236 13.383 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.602 3.206 11.969 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.090 3.146 13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -5.672 3.780 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -6.987 4.854 9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.763 4.524 12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.725 5.272 11.211 1.00 0.00 H new ATOM 27 N TRP A 2 -7.157 -1.956 10.809 1.00 0.00 N ATOM 28 CA TRP A 2 -7.859 -2.325 9.590 1.00 0.00 C ATOM 29 C TRP A 2 -8.150 -1.070 8.779 1.00 0.00 C ATOM 30 O TRP A 2 -8.759 -0.121 9.276 1.00 0.00 O ATOM 31 CB TRP A 2 -9.160 -3.071 9.890 1.00 0.00 C ATOM 32 CG TRP A 2 -8.961 -4.391 10.574 1.00 0.00 C ATOM 33 CD1 TRP A 2 -9.220 -4.716 11.877 1.00 0.00 C ATOM 34 CD2 TRP A 2 -8.455 -5.568 9.960 1.00 0.00 C ATOM 35 NE1 TRP A 2 -8.919 -6.042 12.099 1.00 0.00 N ATOM 36 CE2 TRP A 2 -8.434 -6.583 10.932 1.00 0.00 C ATOM 37 CE3 TRP A 2 -8.021 -5.850 8.672 1.00 0.00 C ATOM 38 CZ2 TRP A 2 -7.987 -7.872 10.642 1.00 0.00 C ATOM 39 CZ3 TRP A 2 -7.576 -7.124 8.386 1.00 0.00 C ATOM 40 CH2 TRP A 2 -7.560 -8.118 9.361 1.00 0.00 C ATOM 0 H TRP A 2 -7.712 -2.040 11.661 1.00 0.00 H new ATOM 0 HA TRP A 2 -7.221 -2.999 9.018 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.793 -2.441 10.515 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -9.697 -3.235 8.956 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -9.604 -4.034 12.622 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -9.036 -6.539 12.982 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -8.032 -5.086 7.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -7.977 -8.646 11.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -7.234 -7.355 7.388 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -7.204 -9.104 9.104 1.00 0.00 H new ATOM 51 N LEU A 3 -7.683 -1.067 7.541 1.00 0.00 N ATOM 52 CA LEU A 3 -7.856 0.078 6.651 1.00 0.00 C ATOM 53 C LEU A 3 -8.591 -0.310 5.370 1.00 0.00 C ATOM 54 O LEU A 3 -8.237 -1.286 4.710 1.00 0.00 O ATOM 55 CB LEU A 3 -6.485 0.682 6.302 1.00 0.00 C ATOM 56 CG LEU A 3 -6.500 1.746 5.202 1.00 0.00 C ATOM 57 CD1 LEU A 3 -6.542 3.140 5.809 1.00 0.00 C ATOM 58 CD2 LEU A 3 -5.287 1.584 4.296 1.00 0.00 C ATOM 0 H LEU A 3 -7.177 -1.849 7.124 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.462 0.818 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.060 1.122 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.818 -0.124 5.996 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.398 1.613 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.552 3.884 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.441 3.246 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.662 3.291 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.310 2.347 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.376 1.693 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.306 0.596 3.836 1.00 0.00 H new ATOM 70 N CYS A 4 -9.590 0.497 5.010 1.00 0.00 N ATOM 71 CA CYS A 4 -10.367 0.284 3.784 1.00 0.00 C ATOM 72 C CYS A 4 -10.168 1.488 2.871 1.00 0.00 C ATOM 73 O CYS A 4 -10.495 2.614 3.252 1.00 0.00 O ATOM 74 CB CYS A 4 -11.872 0.085 4.092 1.00 0.00 C ATOM 75 SG CYS A 4 -12.542 -1.502 3.498 1.00 0.00 S ATOM 0 H CYS A 4 -9.883 1.310 5.553 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.016 -0.624 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -12.025 0.153 5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.437 0.899 3.638 1.00 0.00 H new ATOM 0 HG CYS A 4 -11.732 -2.465 3.825 1.00 0.00 H new ATOM 80 N ILE A 5 -9.596 1.264 1.685 1.00 0.00 N ATOM 81 CA ILE A 5 -9.326 2.377 0.768 1.00 0.00 C ATOM 82 C ILE A 5 -9.540 2.001 -0.708 1.00 0.00 C ATOM 83 O ILE A 5 -9.889 0.861 -1.022 1.00 0.00 O ATOM 84 CB ILE A 5 -7.896 2.924 0.996 1.00 0.00 C ATOM 85 CG1 ILE A 5 -6.853 1.804 0.989 1.00 0.00 C ATOM 86 CG2 ILE A 5 -7.831 3.692 2.307 1.00 0.00 C ATOM 87 CD1 ILE A 5 -5.516 2.303 0.549 1.00 0.00 C ATOM 0 H ILE A 5 -9.316 0.345 1.342 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.050 3.160 0.994 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.664 3.598 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.772 1.375 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.181 1.005 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.820 4.072 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.531 4.527 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.095 3.029 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.800 1.481 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.593 2.708 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.177 3.085 1.229 1.00 0.00 H new ATOM 99 N TRP A 6 -9.384 2.992 -1.605 1.00 0.00 N ATOM 100 CA TRP A 6 -9.623 2.783 -3.047 1.00 0.00 C ATOM 101 C TRP A 6 -8.354 2.535 -3.881 1.00 0.00 C ATOM 102 O TRP A 6 -7.616 3.465 -4.209 1.00 0.00 O ATOM 103 CB TRP A 6 -10.382 3.996 -3.632 1.00 0.00 C ATOM 104 CG TRP A 6 -10.664 3.892 -5.106 1.00 0.00 C ATOM 105 CD1 TRP A 6 -10.093 4.670 -6.063 1.00 0.00 C ATOM 106 CD2 TRP A 6 -11.554 2.988 -5.802 1.00 0.00 C ATOM 107 NE1 TRP A 6 -10.546 4.316 -7.305 1.00 0.00 N ATOM 108 CE2 TRP A 6 -11.438 3.288 -7.177 1.00 0.00 C ATOM 109 CE3 TRP A 6 -12.431 1.957 -5.420 1.00 0.00 C ATOM 110 CZ2 TRP A 6 -12.149 2.603 -8.155 1.00 0.00 C ATOM 111 CZ3 TRP A 6 -13.136 1.280 -6.395 1.00 0.00 C ATOM 112 CH2 TRP A 6 -12.987 1.605 -7.750 1.00 0.00 C ATOM 0 H TRP A 6 -9.096 3.939 -1.360 1.00 0.00 H new ATOM 0 HA TRP A 6 -10.215 1.870 -3.114 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -11.326 4.111 -3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -9.800 4.899 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -9.380 5.458 -5.870 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -10.264 4.749 -8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -12.551 1.698 -4.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -12.042 2.852 -9.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -13.812 0.488 -6.109 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -13.548 1.053 -8.490 1.00 0.00 H new ATOM 123 N LEU A 7 -8.158 1.272 -4.273 1.00 0.00 N ATOM 124 CA LEU A 7 -7.045 0.861 -5.128 1.00 0.00 C ATOM 125 C LEU A 7 -7.618 0.064 -6.280 1.00 0.00 C ATOM 126 O LEU A 7 -8.319 -0.920 -6.050 1.00 0.00 O ATOM 127 CB LEU A 7 -6.040 -0.006 -4.345 1.00 0.00 C ATOM 128 CG LEU A 7 -5.582 0.569 -3.005 1.00 0.00 C ATOM 129 CD1 LEU A 7 -5.065 1.993 -3.170 1.00 0.00 C ATOM 130 CD2 LEU A 7 -6.708 0.513 -1.982 1.00 0.00 C ATOM 0 H LEU A 7 -8.772 0.503 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.514 1.742 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.490 -0.983 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.162 -0.169 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.759 -0.044 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.746 2.379 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.220 1.996 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.859 2.625 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.361 0.927 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.557 1.094 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.014 -0.523 -1.834 1.00 0.00 H new ATOM 142 N SER A 8 -7.346 0.484 -7.517 1.00 0.00 N ATOM 143 CA SER A 8 -7.868 -0.223 -8.659 1.00 0.00 C ATOM 144 C SER A 8 -6.937 -1.361 -9.041 1.00 0.00 C ATOM 145 O SER A 8 -6.097 -1.786 -8.249 1.00 0.00 O ATOM 146 CB SER A 8 -8.102 0.726 -9.835 1.00 0.00 C ATOM 147 OG SER A 8 -9.310 0.411 -10.507 1.00 0.00 O ATOM 0 H SER A 8 -6.775 1.299 -7.739 1.00 0.00 H new ATOM 0 HA SER A 8 -8.835 -0.649 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.139 1.754 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.266 0.661 -10.532 1.00 0.00 H new ATOM 0 HG SER A 8 -9.440 1.032 -11.254 1.00 0.00 H new ATOM 153 N ASP A 9 -7.114 -1.860 -10.242 1.00 0.00 N ATOM 154 CA ASP A 9 -6.324 -2.989 -10.737 1.00 0.00 C ATOM 155 C ASP A 9 -4.825 -2.651 -10.851 1.00 0.00 C ATOM 156 O ASP A 9 -4.373 -1.638 -10.318 1.00 0.00 O ATOM 157 CB ASP A 9 -6.880 -3.467 -12.069 1.00 0.00 C ATOM 158 CG ASP A 9 -6.681 -4.956 -12.296 1.00 0.00 C ATOM 159 OD1 ASP A 9 -7.208 -5.758 -11.495 1.00 0.00 O ATOM 160 OD2 ASP A 9 -5.993 -5.320 -13.274 1.00 0.00 O ATOM 0 H ASP A 9 -7.801 -1.506 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.405 -3.795 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.944 -3.237 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.399 -2.915 -12.876 1.00 0.00 H new ATOM 165 N GLN A 10 -4.068 -3.495 -11.574 1.00 0.00 N ATOM 166 CA GLN A 10 -2.644 -3.311 -11.790 1.00 0.00 C ATOM 167 C GLN A 10 -1.927 -2.740 -10.562 1.00 0.00 C ATOM 168 O GLN A 10 -1.041 -1.892 -10.679 1.00 0.00 O ATOM 169 CB GLN A 10 -2.490 -2.437 -13.009 1.00 0.00 C ATOM 170 CG GLN A 10 -1.670 -3.087 -14.106 1.00 0.00 C ATOM 171 CD GLN A 10 -1.364 -2.151 -15.257 1.00 0.00 C ATOM 172 OE1 GLN A 10 -1.786 -0.993 -15.260 1.00 0.00 O ATOM 173 NE2 GLN A 10 -0.624 -2.639 -16.250 1.00 0.00 N ATOM 0 H GLN A 10 -4.443 -4.330 -12.025 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.164 -4.276 -11.956 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.477 -2.190 -13.399 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.018 -1.498 -12.719 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.733 -3.451 -13.683 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.207 -3.956 -14.486 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.292 -3.603 -16.213 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.389 -2.049 -17.048 1.00 0.00 H new ATOM 182 N THR A 11 -2.324 -3.244 -9.389 1.00 0.00 N ATOM 183 CA THR A 11 -1.754 -2.841 -8.107 1.00 0.00 C ATOM 184 C THR A 11 -2.450 -3.538 -6.951 1.00 0.00 C ATOM 185 O THR A 11 -1.805 -4.185 -6.129 1.00 0.00 O ATOM 186 CB THR A 11 -1.771 -1.339 -7.971 1.00 0.00 C ATOM 187 OG1 THR A 11 -0.983 -0.913 -6.872 1.00 0.00 O ATOM 188 CG2 THR A 11 -3.147 -0.751 -7.827 1.00 0.00 C ATOM 0 H THR A 11 -3.057 -3.949 -9.306 1.00 0.00 H new ATOM 0 HA THR A 11 -0.711 -3.157 -8.074 1.00 0.00 H new ATOM 0 HB THR A 11 -1.353 -0.974 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.760 0.036 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.072 0.332 -7.735 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.743 -1.000 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.626 -1.159 -6.937 1.00 0.00 H new ATOM 196 N LEU A 12 -3.767 -3.460 -6.942 1.00 0.00 N ATOM 197 CA LEU A 12 -4.580 -4.140 -5.940 1.00 0.00 C ATOM 198 C LEU A 12 -4.479 -5.642 -6.174 1.00 0.00 C ATOM 199 O LEU A 12 -4.527 -6.451 -5.246 1.00 0.00 O ATOM 200 CB LEU A 12 -6.017 -3.661 -6.022 1.00 0.00 C ATOM 201 CG LEU A 12 -6.952 -4.448 -6.926 1.00 0.00 C ATOM 202 CD1 LEU A 12 -7.600 -5.591 -6.199 1.00 0.00 C ATOM 203 CD2 LEU A 12 -8.001 -3.521 -7.458 1.00 0.00 C ATOM 0 H LEU A 12 -4.306 -2.927 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.217 -3.912 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.434 -3.666 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.011 -2.625 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.368 -4.872 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.260 -6.128 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.831 -6.269 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.179 -5.207 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.679 -4.074 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.563 -3.093 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.526 -2.721 -8.025 1.00 0.00 H new ATOM 215 N GLU A 13 -4.285 -5.974 -7.448 1.00 0.00 N ATOM 216 CA GLU A 13 -4.107 -7.317 -7.922 1.00 0.00 C ATOM 217 C GLU A 13 -2.621 -7.627 -7.884 1.00 0.00 C ATOM 218 O GLU A 13 -2.199 -8.723 -7.513 1.00 0.00 O ATOM 219 CB GLU A 13 -4.619 -7.368 -9.353 1.00 0.00 C ATOM 220 CG GLU A 13 -3.716 -8.110 -10.308 1.00 0.00 C ATOM 221 CD GLU A 13 -4.464 -8.718 -11.479 1.00 0.00 C ATOM 222 OE1 GLU A 13 -4.863 -7.960 -12.388 1.00 0.00 O ATOM 223 OE2 GLU A 13 -4.649 -9.953 -11.488 1.00 0.00 O ATOM 0 H GLU A 13 -4.248 -5.280 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.646 -8.043 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.601 -7.840 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.753 -6.349 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.955 -7.427 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.195 -8.900 -9.767 1.00 0.00 H new ATOM 230 N ASP A 14 -1.845 -6.608 -8.277 1.00 0.00 N ATOM 231 CA ASP A 14 -0.395 -6.666 -8.309 1.00 0.00 C ATOM 232 C ASP A 14 0.150 -7.316 -7.039 1.00 0.00 C ATOM 233 O ASP A 14 1.210 -7.938 -7.060 1.00 0.00 O ATOM 234 CB ASP A 14 0.196 -5.251 -8.477 1.00 0.00 C ATOM 235 CG ASP A 14 1.414 -5.235 -9.380 1.00 0.00 C ATOM 236 OD1 ASP A 14 2.453 -5.806 -8.988 1.00 0.00 O ATOM 237 OD2 ASP A 14 1.328 -4.648 -10.480 1.00 0.00 O ATOM 0 H ASP A 14 -2.222 -5.711 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.098 -7.275 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.566 -4.589 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.468 -4.856 -7.498 1.00 0.00 H new ATOM 242 N LEU A 15 -0.596 -7.171 -5.936 1.00 0.00 N ATOM 243 CA LEU A 15 -0.222 -7.729 -4.642 1.00 0.00 C ATOM 244 C LEU A 15 -0.291 -9.262 -4.579 1.00 0.00 C ATOM 245 O LEU A 15 -0.353 -9.835 -3.493 1.00 0.00 O ATOM 246 CB LEU A 15 -1.104 -7.123 -3.576 1.00 0.00 C ATOM 247 CG LEU A 15 -1.048 -5.606 -3.536 1.00 0.00 C ATOM 248 CD1 LEU A 15 -1.767 -5.110 -2.322 1.00 0.00 C ATOM 249 CD2 LEU A 15 0.397 -5.110 -3.569 1.00 0.00 C ATOM 0 H LEU A 15 -1.479 -6.660 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 15 0.825 -7.476 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.134 -7.437 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.808 -7.516 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.544 -5.209 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.726 -4.021 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.807 -5.433 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.292 -5.514 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.408 -4.020 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.936 -5.502 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.879 -5.453 -4.485 1.00 0.00 H new ATOM 261 N GLU A 16 -0.263 -9.921 -5.734 1.00 0.00 N ATOM 262 CA GLU A 16 -0.294 -11.376 -5.794 1.00 0.00 C ATOM 263 C GLU A 16 1.135 -11.913 -5.942 1.00 0.00 C ATOM 264 O GLU A 16 1.523 -12.864 -5.261 1.00 0.00 O ATOM 265 CB GLU A 16 -1.197 -11.838 -6.952 1.00 0.00 C ATOM 266 CG GLU A 16 -0.441 -12.498 -8.080 1.00 0.00 C ATOM 267 CD GLU A 16 -1.346 -12.982 -9.196 1.00 0.00 C ATOM 268 OE1 GLU A 16 -1.673 -12.172 -10.090 1.00 0.00 O ATOM 269 OE2 GLU A 16 -1.729 -14.170 -9.177 1.00 0.00 O ATOM 0 H GLU A 16 -0.219 -9.465 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.713 -11.775 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.940 -12.536 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.740 -10.978 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.283 -11.792 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.124 -13.343 -7.686 1.00 0.00 H new ATOM 276 N LYS A 17 1.916 -11.280 -6.826 1.00 0.00 N ATOM 277 CA LYS A 17 3.294 -11.661 -7.065 1.00 0.00 C ATOM 278 C LYS A 17 4.243 -10.947 -6.096 1.00 0.00 C ATOM 279 O LYS A 17 5.318 -11.459 -5.782 1.00 0.00 O ATOM 280 CB LYS A 17 3.678 -11.339 -8.500 1.00 0.00 C ATOM 281 CG LYS A 17 2.766 -11.979 -9.537 1.00 0.00 C ATOM 282 CD LYS A 17 3.349 -11.876 -10.940 1.00 0.00 C ATOM 283 CE LYS A 17 4.572 -12.760 -11.114 1.00 0.00 C ATOM 284 NZ LYS A 17 4.340 -14.154 -10.637 1.00 0.00 N ATOM 0 H LYS A 17 1.601 -10.491 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 17 3.384 -12.734 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.665 -10.258 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.701 -11.670 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.608 -13.028 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.790 -11.494 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.590 -12.159 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.618 -10.840 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.854 -12.782 -12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.410 -12.327 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.072 -14.781 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.383 -14.177 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.403 -14.477 -10.952 1.00 0.00 H new ATOM 298 N MET A 18 3.834 -9.767 -5.618 1.00 0.00 N ATOM 299 CA MET A 18 4.641 -8.990 -4.677 1.00 0.00 C ATOM 300 C MET A 18 4.446 -9.490 -3.248 1.00 0.00 C ATOM 301 O MET A 18 5.212 -9.137 -2.351 1.00 0.00 O ATOM 302 CB MET A 18 4.270 -7.512 -4.742 1.00 0.00 C ATOM 303 CG MET A 18 3.950 -7.023 -6.131 1.00 0.00 C ATOM 304 SD MET A 18 4.178 -5.240 -6.317 1.00 0.00 S ATOM 305 CE MET A 18 3.042 -4.607 -5.080 1.00 0.00 C ATOM 0 H MET A 18 2.947 -9.330 -5.869 1.00 0.00 H new ATOM 0 HA MET A 18 5.686 -9.115 -4.961 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.409 -7.335 -4.098 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.095 -6.923 -4.341 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.585 -7.542 -6.849 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.919 -7.280 -6.373 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.466 -3.714 -4.620 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.093 -4.356 -5.553 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.877 -5.366 -4.315 1.00 0.00 H new ATOM 315 N ALA A 19 3.405 -10.294 -3.041 1.00 0.00 N ATOM 316 CA ALA A 19 3.107 -10.830 -1.713 1.00 0.00 C ATOM 317 C ALA A 19 3.583 -12.275 -1.550 1.00 0.00 C ATOM 318 O ALA A 19 4.453 -12.553 -0.726 1.00 0.00 O ATOM 319 CB ALA A 19 1.626 -10.718 -1.387 1.00 0.00 C ATOM 0 H ALA A 19 2.756 -10.588 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 19 3.663 -10.219 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.440 -11.126 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.326 -9.670 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.048 -11.278 -2.122 1.00 0.00 H new ATOM 325 N ARG A 20 2.998 -13.194 -2.318 1.00 0.00 N ATOM 326 CA ARG A 20 3.352 -14.610 -2.233 1.00 0.00 C ATOM 327 C ARG A 20 4.806 -14.864 -2.581 1.00 0.00 C ATOM 328 O ARG A 20 5.611 -15.212 -1.716 1.00 0.00 O ATOM 329 CB ARG A 20 2.436 -15.432 -3.136 1.00 0.00 C ATOM 330 CG ARG A 20 1.061 -15.693 -2.537 1.00 0.00 C ATOM 331 CD ARG A 20 -0.052 -15.482 -3.548 1.00 0.00 C ATOM 332 NE ARG A 20 0.335 -15.874 -4.903 1.00 0.00 N ATOM 333 CZ ARG A 20 0.439 -17.140 -5.319 1.00 0.00 C ATOM 334 NH1 ARG A 20 0.173 -18.148 -4.492 1.00 0.00 N ATOM 335 NH2 ARG A 20 0.807 -17.397 -6.569 1.00 0.00 N ATOM 0 H ARG A 20 2.276 -12.982 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 20 3.215 -14.919 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.316 -14.912 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.915 -16.387 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.018 -16.715 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.906 -15.032 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.927 -16.056 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.344 -14.432 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 20 0.539 -15.133 -5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.113 -17.958 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.255 -19.111 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.010 -16.629 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.887 -18.362 -6.889 1.00 0.00 H new ATOM 349 N ARG A 21 5.124 -14.693 -3.846 1.00 0.00 N ATOM 350 CA ARG A 21 6.456 -14.890 -4.356 1.00 0.00 C ATOM 351 C ARG A 21 7.503 -14.139 -3.527 1.00 0.00 C ATOM 352 O ARG A 21 8.655 -14.566 -3.432 1.00 0.00 O ATOM 353 CB ARG A 21 6.472 -14.413 -5.796 1.00 0.00 C ATOM 354 CG ARG A 21 5.868 -15.405 -6.772 1.00 0.00 C ATOM 355 CD ARG A 21 6.788 -16.586 -6.995 1.00 0.00 C ATOM 356 NE ARG A 21 6.670 -17.583 -5.936 1.00 0.00 N ATOM 357 CZ ARG A 21 5.763 -18.565 -5.923 1.00 0.00 C ATOM 358 NH1 ARG A 21 4.877 -18.681 -6.910 1.00 0.00 N ATOM 359 NH2 ARG A 21 5.740 -19.431 -4.916 1.00 0.00 N ATOM 0 H ARG A 21 4.451 -14.409 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 21 6.716 -15.947 -4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.927 -13.472 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.501 -14.207 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.909 -15.755 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.672 -14.910 -7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.557 -17.048 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.819 -16.236 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 21 7.323 -17.527 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.887 -18.017 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.189 -19.433 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.413 -19.346 -4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.049 -20.181 -4.904 1.00 0.00 H new ATOM 373 N GLU A 22 7.090 -13.015 -2.936 1.00 0.00 N ATOM 374 CA GLU A 22 7.981 -12.190 -2.120 1.00 0.00 C ATOM 375 C GLU A 22 8.069 -12.684 -0.675 1.00 0.00 C ATOM 376 O GLU A 22 9.089 -12.474 -0.016 1.00 0.00 O ATOM 377 CB GLU A 22 7.539 -10.730 -2.181 1.00 0.00 C ATOM 378 CG GLU A 22 7.767 -10.107 -3.555 1.00 0.00 C ATOM 379 CD GLU A 22 8.945 -9.148 -3.593 1.00 0.00 C ATOM 380 OE1 GLU A 22 9.976 -9.439 -2.948 1.00 0.00 O ATOM 381 OE2 GLU A 22 8.838 -8.109 -4.276 1.00 0.00 O ATOM 0 H GLU A 22 6.138 -12.655 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 22 8.986 -12.273 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.481 -10.663 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.084 -10.157 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.930 -10.901 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.865 -9.576 -3.859 1.00 0.00 H new ATOM 388 N GLY A 23 7.024 -13.359 -0.185 1.00 0.00 N ATOM 389 CA GLY A 23 7.062 -13.879 1.169 1.00 0.00 C ATOM 390 C GLY A 23 6.387 -12.982 2.187 1.00 0.00 C ATOM 391 O GLY A 23 7.045 -12.452 3.085 1.00 0.00 O ATOM 0 H GLY A 23 6.164 -13.551 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.582 -14.858 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.101 -14.028 1.462 1.00 0.00 H new ATOM 395 N LEU A 24 5.067 -12.856 2.075 1.00 0.00 N ATOM 396 CA LEU A 24 4.279 -12.061 3.025 1.00 0.00 C ATOM 397 C LEU A 24 2.780 -12.139 2.718 1.00 0.00 C ATOM 398 O LEU A 24 2.356 -12.819 1.779 1.00 0.00 O ATOM 399 CB LEU A 24 4.804 -10.575 3.165 1.00 0.00 C ATOM 400 CG LEU A 24 4.399 -9.560 2.096 1.00 0.00 C ATOM 401 CD1 LEU A 24 5.639 -9.005 1.428 1.00 0.00 C ATOM 402 CD2 LEU A 24 3.474 -10.154 1.071 1.00 0.00 C ATOM 0 H LEU A 24 4.516 -13.293 1.336 1.00 0.00 H new ATOM 0 HA LEU A 24 4.421 -12.510 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.469 -10.194 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.893 -10.609 3.196 1.00 0.00 H new ATOM 0 HG LEU A 24 3.854 -8.755 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.349 -8.282 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.266 -8.515 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.196 -9.818 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.214 -9.396 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.969 -10.989 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.568 -10.509 1.561 1.00 0.00 H new ATOM 414 N SER A 25 1.993 -11.455 3.538 1.00 0.00 N ATOM 415 CA SER A 25 0.529 -11.442 3.403 1.00 0.00 C ATOM 416 C SER A 25 0.043 -10.168 2.705 1.00 0.00 C ATOM 417 O SER A 25 0.797 -9.208 2.572 1.00 0.00 O ATOM 418 CB SER A 25 -0.123 -11.570 4.789 1.00 0.00 C ATOM 419 OG SER A 25 0.100 -10.407 5.571 1.00 0.00 O ATOM 0 H SER A 25 2.342 -10.893 4.315 1.00 0.00 H new ATOM 0 HA SER A 25 0.237 -12.291 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.194 -11.735 4.676 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.281 -12.441 5.305 1.00 0.00 H new ATOM 0 HG SER A 25 -0.327 -10.515 6.447 1.00 0.00 H new ATOM 425 N LYS A 26 -1.222 -10.171 2.258 1.00 0.00 N ATOM 426 CA LYS A 26 -1.809 -9.010 1.564 1.00 0.00 C ATOM 427 C LYS A 26 -1.547 -7.699 2.321 1.00 0.00 C ATOM 428 O LYS A 26 -1.342 -6.653 1.703 1.00 0.00 O ATOM 429 CB LYS A 26 -3.322 -9.184 1.347 1.00 0.00 C ATOM 430 CG LYS A 26 -3.684 -9.962 0.083 1.00 0.00 C ATOM 431 CD LYS A 26 -3.208 -9.253 -1.183 1.00 0.00 C ATOM 432 CE LYS A 26 -4.138 -8.093 -1.588 1.00 0.00 C ATOM 433 NZ LYS A 26 -5.587 -8.383 -1.317 1.00 0.00 N ATOM 0 H LYS A 26 -1.858 -10.961 2.363 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.319 -8.954 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.746 -9.697 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.787 -8.199 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.240 -10.956 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.765 -10.097 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.200 -8.869 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.151 -9.972 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.845 -7.193 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.007 -7.883 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.179 -7.688 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.818 -9.340 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.768 -8.322 -0.295 1.00 0.00 H new ATOM 447 N SER A 27 -1.555 -7.762 3.657 1.00 0.00 N ATOM 448 CA SER A 27 -1.317 -6.587 4.495 1.00 0.00 C ATOM 449 C SER A 27 0.165 -6.269 4.568 1.00 0.00 C ATOM 450 O SER A 27 0.587 -5.181 4.182 1.00 0.00 O ATOM 451 CB SER A 27 -1.868 -6.828 5.897 1.00 0.00 C ATOM 452 OG SER A 27 -3.095 -7.537 5.854 1.00 0.00 O ATOM 0 H SER A 27 -1.725 -8.620 4.181 1.00 0.00 H new ATOM 0 HA SER A 27 -1.830 -5.735 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.141 -7.390 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.015 -5.873 6.401 1.00 0.00 H new ATOM 0 HG SER A 27 -3.240 -7.993 6.710 1.00 0.00 H new ATOM 458 N GLU A 28 0.955 -7.232 5.039 1.00 0.00 N ATOM 459 CA GLU A 28 2.402 -7.054 5.124 1.00 0.00 C ATOM 460 C GLU A 28 2.977 -6.733 3.740 1.00 0.00 C ATOM 461 O GLU A 28 4.085 -6.215 3.624 1.00 0.00 O ATOM 462 CB GLU A 28 3.071 -8.300 5.708 1.00 0.00 C ATOM 463 CG GLU A 28 3.706 -8.060 7.065 1.00 0.00 C ATOM 464 CD GLU A 28 4.717 -6.926 7.048 1.00 0.00 C ATOM 465 OE1 GLU A 28 5.781 -7.087 6.413 1.00 0.00 O ATOM 466 OE2 GLU A 28 4.443 -5.877 7.668 1.00 0.00 O ATOM 0 H GLU A 28 0.620 -8.138 5.366 1.00 0.00 H new ATOM 0 HA GLU A 28 2.607 -6.217 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.330 -9.094 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.834 -8.653 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.926 -7.834 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.197 -8.974 7.398 1.00 0.00 H new ATOM 473 N MET A 29 2.180 -7.014 2.700 1.00 0.00 N ATOM 474 CA MET A 29 2.528 -6.741 1.323 1.00 0.00 C ATOM 475 C MET A 29 2.379 -5.254 1.086 1.00 0.00 C ATOM 476 O MET A 29 3.255 -4.577 0.551 1.00 0.00 O ATOM 477 CB MET A 29 1.522 -7.509 0.399 1.00 0.00 C ATOM 478 CG MET A 29 1.276 -6.870 -0.934 1.00 0.00 C ATOM 479 SD MET A 29 2.579 -7.197 -2.103 1.00 0.00 S ATOM 480 CE MET A 29 3.579 -5.798 -1.688 1.00 0.00 C ATOM 0 H MET A 29 1.262 -7.445 2.808 1.00 0.00 H new ATOM 0 HA MET A 29 3.549 -7.057 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.898 -8.519 0.237 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.570 -7.603 0.922 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.331 -7.234 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.173 -5.793 -0.803 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.215 -5.541 -2.535 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.937 -4.951 -1.446 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.202 -6.039 -0.827 1.00 0.00 H new ATOM 490 N ILE A 30 1.225 -4.785 1.488 1.00 0.00 N ATOM 491 CA ILE A 30 0.820 -3.436 1.337 1.00 0.00 C ATOM 492 C ILE A 30 1.586 -2.474 2.249 1.00 0.00 C ATOM 493 O ILE A 30 1.893 -1.350 1.846 1.00 0.00 O ATOM 494 CB ILE A 30 -0.688 -3.467 1.556 1.00 0.00 C ATOM 495 CG1 ILE A 30 -1.357 -3.362 0.199 1.00 0.00 C ATOM 496 CG2 ILE A 30 -1.160 -2.476 2.571 1.00 0.00 C ATOM 497 CD1 ILE A 30 -1.347 -1.965 -0.390 1.00 0.00 C ATOM 0 H ILE A 30 0.524 -5.367 1.946 1.00 0.00 H new ATOM 0 HA ILE A 30 1.057 -3.035 0.352 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.981 -4.414 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.858 -4.040 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.390 -3.700 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.242 -2.552 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.686 -2.683 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.897 -1.469 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.844 -1.976 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.872 -1.284 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.317 -1.630 -0.514 1.00 0.00 H new ATOM 509 N ASN A 31 1.942 -2.932 3.444 1.00 0.00 N ATOM 510 CA ASN A 31 2.733 -2.117 4.368 1.00 0.00 C ATOM 511 C ASN A 31 4.124 -1.913 3.776 1.00 0.00 C ATOM 512 O ASN A 31 4.649 -0.800 3.708 1.00 0.00 O ATOM 513 CB ASN A 31 2.858 -2.822 5.729 1.00 0.00 C ATOM 514 CG ASN A 31 4.234 -2.632 6.352 1.00 0.00 C ATOM 515 OD1 ASN A 31 4.419 -1.787 7.228 1.00 0.00 O ATOM 516 ND2 ASN A 31 5.209 -3.426 5.899 1.00 0.00 N ATOM 0 H ASN A 31 1.699 -3.857 3.797 1.00 0.00 H new ATOM 0 HA ASN A 31 2.239 -1.156 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.098 -2.435 6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.662 -3.887 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.151 -3.345 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.011 -4.113 5.172 1.00 0.00 H new ATOM 523 N VAL A 32 4.688 -3.037 3.357 1.00 0.00 N ATOM 524 CA VAL A 32 5.994 -3.135 2.765 1.00 0.00 C ATOM 525 C VAL A 32 6.135 -2.218 1.572 1.00 0.00 C ATOM 526 O VAL A 32 7.160 -1.557 1.399 1.00 0.00 O ATOM 527 CB VAL A 32 6.201 -4.597 2.365 1.00 0.00 C ATOM 528 CG1 VAL A 32 6.846 -4.670 1.040 1.00 0.00 C ATOM 529 CG2 VAL A 32 7.024 -5.299 3.402 1.00 0.00 C ATOM 0 H VAL A 32 4.218 -3.940 3.428 1.00 0.00 H new ATOM 0 HA VAL A 32 6.755 -2.821 3.480 1.00 0.00 H new ATOM 0 HB VAL A 32 5.233 -5.095 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.990 -5.714 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.212 -4.182 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.813 -4.168 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.167 -6.339 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.994 -4.810 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.510 -5.259 4.363 1.00 0.00 H new ATOM 539 N ALA A 33 5.095 -2.184 0.766 1.00 0.00 N ATOM 540 CA ALA A 33 5.074 -1.338 -0.419 1.00 0.00 C ATOM 541 C ALA A 33 5.552 0.066 -0.099 1.00 0.00 C ATOM 542 O ALA A 33 6.190 0.719 -0.927 1.00 0.00 O ATOM 543 CB ALA A 33 3.675 -1.232 -0.966 1.00 0.00 C ATOM 0 H ALA A 33 4.247 -2.733 0.907 1.00 0.00 H new ATOM 0 HA ALA A 33 5.738 -1.797 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.678 -0.596 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.313 -2.225 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.021 -0.798 -0.210 1.00 0.00 H new ATOM 549 N LEU A 34 5.204 0.541 1.098 1.00 0.00 N ATOM 550 CA LEU A 34 5.564 1.876 1.499 1.00 0.00 C ATOM 551 C LEU A 34 7.031 1.971 1.925 1.00 0.00 C ATOM 552 O LEU A 34 7.691 2.978 1.662 1.00 0.00 O ATOM 553 CB LEU A 34 4.636 2.388 2.596 1.00 0.00 C ATOM 554 CG LEU A 34 3.173 2.112 2.341 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.358 2.892 3.295 1.00 0.00 C ATOM 556 CD2 LEU A 34 2.846 2.504 0.931 1.00 0.00 C ATOM 0 H LEU A 34 4.676 0.014 1.794 1.00 0.00 H new ATOM 0 HA LEU A 34 5.443 2.518 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.922 1.930 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.779 3.463 2.706 1.00 0.00 H new ATOM 0 HG LEU A 34 2.956 1.053 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.301 2.696 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.613 2.601 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.558 3.955 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.792 2.309 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.051 3.565 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.457 1.923 0.241 1.00 0.00 H new ATOM 568 N GLN A 35 7.537 0.923 2.595 1.00 0.00 N ATOM 569 CA GLN A 35 8.911 0.900 3.061 1.00 0.00 C ATOM 570 C GLN A 35 9.932 0.750 1.921 1.00 0.00 C ATOM 571 O GLN A 35 11.105 1.077 2.109 1.00 0.00 O ATOM 572 CB GLN A 35 9.063 -0.183 4.147 1.00 0.00 C ATOM 573 CG GLN A 35 8.823 0.354 5.552 1.00 0.00 C ATOM 574 CD GLN A 35 7.812 -0.444 6.352 1.00 0.00 C ATOM 575 OE1 GLN A 35 8.050 -0.753 7.519 1.00 0.00 O ATOM 576 NE2 GLN A 35 6.673 -0.789 5.751 1.00 0.00 N ATOM 0 H GLN A 35 7.004 0.083 2.821 1.00 0.00 H new ATOM 0 HA GLN A 35 9.139 1.870 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.361 -0.993 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.065 -0.609 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.770 0.367 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.482 1.387 5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.505 -0.518 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.970 -1.324 6.260 1.00 0.00 H new ATOM 585 N HIS A 36 9.495 0.316 0.730 1.00 0.00 N ATOM 586 CA HIS A 36 10.414 0.212 -0.417 1.00 0.00 C ATOM 587 C HIS A 36 10.138 1.321 -1.440 1.00 0.00 C ATOM 588 O HIS A 36 10.381 1.149 -2.637 1.00 0.00 O ATOM 589 CB HIS A 36 10.314 -1.139 -1.106 1.00 0.00 C ATOM 590 CG HIS A 36 10.791 -2.260 -0.250 1.00 0.00 C ATOM 591 ND1 HIS A 36 9.939 -3.161 0.318 1.00 0.00 N ATOM 592 CD2 HIS A 36 12.035 -2.598 0.165 1.00 0.00 C ATOM 593 CE1 HIS A 36 10.629 -4.015 1.065 1.00 0.00 C ATOM 594 NE2 HIS A 36 11.906 -3.692 0.983 1.00 0.00 N ATOM 0 H HIS A 36 8.533 0.037 0.536 1.00 0.00 H new ATOM 0 HA HIS A 36 11.423 0.323 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.278 -1.321 -1.391 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.898 -1.117 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 36 12.956 -2.100 -0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.217 -4.831 1.639 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.672 -4.176 1.451 1.00 0.00 H new ATOM 603 N TYR A 37 9.606 2.448 -0.963 1.00 0.00 N ATOM 604 CA TYR A 37 9.266 3.572 -1.825 1.00 0.00 C ATOM 605 C TYR A 37 10.082 4.828 -1.487 1.00 0.00 C ATOM 606 O TYR A 37 10.383 5.089 -0.319 1.00 0.00 O ATOM 607 CB TYR A 37 7.785 3.885 -1.658 1.00 0.00 C ATOM 608 CG TYR A 37 7.318 4.984 -2.554 1.00 0.00 C ATOM 609 CD1 TYR A 37 7.823 5.117 -3.835 1.00 0.00 C ATOM 610 CD2 TYR A 37 6.397 5.899 -2.108 1.00 0.00 C ATOM 611 CE1 TYR A 37 7.425 6.138 -4.648 1.00 0.00 C ATOM 612 CE2 TYR A 37 5.986 6.930 -2.904 1.00 0.00 C ATOM 613 CZ TYR A 37 6.505 7.059 -4.182 1.00 0.00 C ATOM 614 OH TYR A 37 6.097 8.095 -4.990 1.00 0.00 O ATOM 0 H TYR A 37 9.402 2.603 0.024 1.00 0.00 H new ATOM 0 HA TYR A 37 9.498 3.291 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 37 7.204 2.986 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.592 4.162 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.545 4.400 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.991 5.802 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.825 6.226 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.260 7.641 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 37 5.447 8.649 -4.509 1.00 0.00 H new ATOM 624 N LYS A 38 10.387 5.621 -2.524 1.00 0.00 N ATOM 625 CA LYS A 38 11.101 6.870 -2.396 1.00 0.00 C ATOM 626 C LYS A 38 12.572 6.658 -2.022 1.00 0.00 C ATOM 627 O LYS A 38 12.853 6.345 -0.845 1.00 0.00 O ATOM 628 CB LYS A 38 10.382 7.733 -1.375 1.00 0.00 C ATOM 629 CG LYS A 38 10.183 9.175 -1.810 1.00 0.00 C ATOM 630 CD LYS A 38 11.523 9.915 -1.944 1.00 0.00 C ATOM 631 CE LYS A 38 12.164 9.780 -3.333 1.00 0.00 C ATOM 632 NZ LYS A 38 13.640 10.128 -3.330 1.00 0.00 N ATOM 633 OXT LYS A 38 13.431 6.805 -2.916 1.00 0.00 O ATOM 0 H LYS A 38 10.134 5.396 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 38 11.111 7.376 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.408 7.291 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.947 7.721 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.657 9.199 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.553 9.691 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.368 10.972 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.216 9.533 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.036 8.758 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.642 10.431 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.024 10.021 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.764 11.111 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.146 9.491 -2.682 1.00 0.00 H new TER 647 LYS A 38 ATOM 648 N ARG B 1 -11.032 -0.941 -6.701 1.00 0.00 N ATOM 649 CA ARG B 1 -11.590 -1.873 -5.676 1.00 0.00 C ATOM 650 C ARG B 1 -11.387 -1.349 -4.259 1.00 0.00 C ATOM 651 O ARG B 1 -10.563 -0.464 -4.018 1.00 0.00 O ATOM 652 CB ARG B 1 -10.893 -3.228 -5.801 1.00 0.00 C ATOM 653 CG ARG B 1 -11.558 -4.173 -6.783 1.00 0.00 C ATOM 654 CD ARG B 1 -10.992 -4.014 -8.179 1.00 0.00 C ATOM 655 NE ARG B 1 -11.986 -4.264 -9.208 1.00 0.00 N ATOM 656 CZ ARG B 1 -12.403 -5.479 -9.579 1.00 0.00 C ATOM 657 NH1 ARG B 1 -11.910 -6.571 -8.999 1.00 0.00 N ATOM 658 NH2 ARG B 1 -13.318 -5.601 -10.535 1.00 0.00 N ATOM 0 H1 ARG B 1 -11.308 -1.264 -7.650 1.00 0.00 H new ATOM 0 H2 ARG B 1 -11.404 0.016 -6.539 1.00 0.00 H new ATOM 0 H3 ARG B 1 -9.995 -0.926 -6.628 1.00 0.00 H new ATOM 0 HA ARG B 1 -12.661 -1.964 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -9.860 -3.067 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -10.863 -3.702 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -11.421 -5.201 -6.449 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -12.631 -3.984 -6.801 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -10.597 -3.005 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -10.156 -4.701 -8.310 1.00 0.00 H new ATOM 0 HE ARG B 1 -12.394 -3.457 -9.680 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -11.208 -6.485 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -12.235 -7.493 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -13.701 -4.769 -10.984 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -13.638 -6.527 -10.820 1.00 0.00 H new ATOM 674 N TRP B 2 -12.122 -1.938 -3.322 1.00 0.00 N ATOM 675 CA TRP B 2 -12.019 -1.590 -1.922 1.00 0.00 C ATOM 676 C TRP B 2 -11.190 -2.655 -1.216 1.00 0.00 C ATOM 677 O TRP B 2 -11.553 -3.833 -1.199 1.00 0.00 O ATOM 678 CB TRP B 2 -13.402 -1.483 -1.294 1.00 0.00 C ATOM 679 CG TRP B 2 -14.168 -0.271 -1.735 1.00 0.00 C ATOM 680 CD1 TRP B 2 -15.226 -0.195 -2.601 1.00 0.00 C ATOM 681 CD2 TRP B 2 -13.903 1.052 -1.311 1.00 0.00 C ATOM 682 NE1 TRP B 2 -15.652 1.113 -2.704 1.00 0.00 N ATOM 683 CE2 TRP B 2 -14.838 1.901 -1.924 1.00 0.00 C ATOM 684 CE3 TRP B 2 -12.955 1.586 -0.457 1.00 0.00 C ATOM 685 CZ2 TRP B 2 -14.843 3.278 -1.698 1.00 0.00 C ATOM 686 CZ3 TRP B 2 -12.953 2.949 -0.233 1.00 0.00 C ATOM 687 CH2 TRP B 2 -13.888 3.780 -0.848 1.00 0.00 C ATOM 0 H TRP B 2 -12.805 -2.670 -3.519 1.00 0.00 H new ATOM 0 HA TRP B 2 -11.533 -0.620 -1.819 1.00 0.00 H new ATOM 0 HB2 TRP B 2 -13.975 -2.376 -1.543 1.00 0.00 H new ATOM 0 HB3 TRP B 2 -13.299 -1.463 -0.209 1.00 0.00 H new ATOM 0 HD1 TRP B 2 -15.661 -1.033 -3.125 1.00 0.00 H new ATOM 0 HE1 TRP B 2 -16.439 1.441 -3.265 1.00 0.00 H new ATOM 0 HE3 TRP B 2 -12.229 0.949 0.026 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 -15.568 3.923 -2.172 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 -12.215 3.378 0.429 1.00 0.00 H new ATOM 0 HH2 TRP B 2 -13.861 4.842 -0.652 1.00 0.00 H new ATOM 698 N LEU B 3 -10.058 -2.236 -0.676 1.00 0.00 N ATOM 699 CA LEU B 3 -9.135 -3.155 -0.002 1.00 0.00 C ATOM 700 C LEU B 3 -9.130 -2.972 1.513 1.00 0.00 C ATOM 701 O LEU B 3 -9.016 -1.855 2.014 1.00 0.00 O ATOM 702 CB LEU B 3 -7.707 -2.973 -0.549 1.00 0.00 C ATOM 703 CG LEU B 3 -6.645 -3.871 0.087 1.00 0.00 C ATOM 704 CD1 LEU B 3 -6.712 -5.275 -0.493 1.00 0.00 C ATOM 705 CD2 LEU B 3 -5.260 -3.270 -0.111 1.00 0.00 C ATOM 0 H LEU B 3 -9.749 -1.264 -0.688 1.00 0.00 H new ATOM 0 HA LEU B 3 -9.487 -4.165 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -7.720 -3.159 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -7.412 -1.933 -0.409 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.842 -3.939 1.157 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -5.948 -5.898 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -7.696 -5.702 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -6.540 -5.233 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -4.513 -3.919 0.346 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -5.054 -3.174 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -5.220 -2.286 0.356 1.00 0.00 H new ATOM 717 N CYS B 4 -9.218 -4.097 2.229 1.00 0.00 N ATOM 718 CA CYS B 4 -9.193 -4.102 3.697 1.00 0.00 C ATOM 719 C CYS B 4 -8.113 -5.069 4.178 1.00 0.00 C ATOM 720 O CYS B 4 -8.158 -6.260 3.862 1.00 0.00 O ATOM 721 CB CYS B 4 -10.568 -4.509 4.277 1.00 0.00 C ATOM 722 SG CYS B 4 -11.426 -3.161 5.154 1.00 0.00 S ATOM 0 H CYS B 4 -9.308 -5.024 1.813 1.00 0.00 H new ATOM 0 HA CYS B 4 -8.969 -3.094 4.047 1.00 0.00 H new ATOM 0 HB2 CYS B 4 -11.203 -4.864 3.465 1.00 0.00 H new ATOM 0 HB3 CYS B 4 -10.429 -5.345 4.962 1.00 0.00 H new ATOM 0 HG CYS B 4 -12.460 -2.783 4.463 1.00 0.00 H new ATOM 727 N ILE B 5 -7.126 -4.550 4.913 1.00 0.00 N ATOM 728 CA ILE B 5 -6.021 -5.383 5.395 1.00 0.00 C ATOM 729 C ILE B 5 -5.397 -4.846 6.691 1.00 0.00 C ATOM 730 O ILE B 5 -5.871 -3.860 7.259 1.00 0.00 O ATOM 731 CB ILE B 5 -4.939 -5.541 4.306 1.00 0.00 C ATOM 732 CG1 ILE B 5 -4.919 -4.359 3.345 1.00 0.00 C ATOM 733 CG2 ILE B 5 -5.160 -6.833 3.537 1.00 0.00 C ATOM 734 CD1 ILE B 5 -3.673 -4.372 2.532 1.00 0.00 C ATOM 0 H ILE B 5 -7.069 -3.569 5.185 1.00 0.00 H new ATOM 0 HA ILE B 5 -6.445 -6.361 5.623 1.00 0.00 H new ATOM 0 HB ILE B 5 -3.971 -5.574 4.807 1.00 0.00 H new ATOM 0 HG12 ILE B 5 -5.789 -4.400 2.689 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -4.986 -3.426 3.905 1.00 0.00 H new ATOM 0 HG21 ILE B 5 -4.392 -6.936 2.771 1.00 0.00 H new ATOM 0 HG22 ILE B 5 -5.104 -7.679 4.223 1.00 0.00 H new ATOM 0 HG23 ILE B 5 -6.143 -6.812 3.065 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -3.674 -3.521 1.851 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -2.808 -4.307 3.191 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -3.623 -5.297 1.957 1.00 0.00 H new ATOM 746 N TRP B 6 -4.355 -5.538 7.171 1.00 0.00 N ATOM 747 CA TRP B 6 -3.683 -5.173 8.433 1.00 0.00 C ATOM 748 C TRP B 6 -2.466 -4.252 8.245 1.00 0.00 C ATOM 749 O TRP B 6 -1.331 -4.711 8.100 1.00 0.00 O ATOM 750 CB TRP B 6 -3.261 -6.447 9.193 1.00 0.00 C ATOM 751 CG TRP B 6 -2.710 -6.193 10.571 1.00 0.00 C ATOM 752 CD1 TRP B 6 -1.411 -6.367 10.932 1.00 0.00 C ATOM 753 CD2 TRP B 6 -3.400 -5.738 11.763 1.00 0.00 C ATOM 754 NE1 TRP B 6 -1.230 -6.048 12.251 1.00 0.00 N ATOM 755 CE2 TRP B 6 -2.428 -5.658 12.784 1.00 0.00 C ATOM 756 CE3 TRP B 6 -4.727 -5.384 12.083 1.00 0.00 C ATOM 757 CZ2 TRP B 6 -2.732 -5.246 14.078 1.00 0.00 C ATOM 758 CZ3 TRP B 6 -5.020 -4.976 13.370 1.00 0.00 C ATOM 759 CH2 TRP B 6 -4.025 -4.909 14.352 1.00 0.00 C ATOM 0 H TRP B 6 -3.956 -6.354 6.707 1.00 0.00 H new ATOM 0 HA TRP B 6 -4.412 -4.606 9.012 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -4.123 -7.109 9.276 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -2.509 -6.974 8.605 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -0.630 -6.710 10.270 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -0.344 -6.094 12.755 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -5.503 -5.431 11.333 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -1.969 -5.195 14.841 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.034 -4.704 13.623 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -4.287 -4.584 15.348 1.00 0.00 H new ATOM 770 N LEU B 7 -2.728 -2.948 8.308 1.00 0.00 N ATOM 771 CA LEU B 7 -1.703 -1.908 8.209 1.00 0.00 C ATOM 772 C LEU B 7 -1.891 -0.971 9.400 1.00 0.00 C ATOM 773 O LEU B 7 -2.843 -0.192 9.427 1.00 0.00 O ATOM 774 CB LEU B 7 -1.860 -1.133 6.894 1.00 0.00 C ATOM 775 CG LEU B 7 -1.775 -1.991 5.639 1.00 0.00 C ATOM 776 CD1 LEU B 7 -0.546 -2.890 5.689 1.00 0.00 C ATOM 777 CD2 LEU B 7 -3.043 -2.815 5.459 1.00 0.00 C ATOM 0 H LEU B 7 -3.671 -2.578 8.431 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.706 -2.348 8.219 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.821 -0.619 6.903 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.088 -0.365 6.846 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.680 -1.329 4.778 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.501 -3.496 4.784 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.352 -2.276 5.759 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.608 -3.542 6.560 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.959 -3.420 4.556 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.178 -3.468 6.321 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.901 -2.148 5.370 1.00 0.00 H new ATOM 789 N SER B 8 -1.024 -1.087 10.405 1.00 0.00 N ATOM 790 CA SER B 8 -1.146 -0.293 11.619 1.00 0.00 C ATOM 791 C SER B 8 -0.843 1.197 11.396 1.00 0.00 C ATOM 792 O SER B 8 -1.333 1.802 10.445 1.00 0.00 O ATOM 793 CB SER B 8 -0.263 -0.900 12.717 1.00 0.00 C ATOM 794 OG SER B 8 -0.577 -0.356 13.989 1.00 0.00 O ATOM 0 H SER B 8 -0.229 -1.726 10.399 1.00 0.00 H new ATOM 0 HA SER B 8 -2.187 -0.328 11.939 1.00 0.00 H new ATOM 0 HB2 SER B 8 -0.397 -1.982 12.738 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.786 -0.713 12.488 1.00 0.00 H new ATOM 0 HG SER B 8 -0.001 -0.762 14.670 1.00 0.00 H new ATOM 800 N ASP B 9 -0.074 1.786 12.305 1.00 0.00 N ATOM 801 CA ASP B 9 0.256 3.211 12.250 1.00 0.00 C ATOM 802 C ASP B 9 1.527 3.492 11.462 1.00 0.00 C ATOM 803 O ASP B 9 1.609 4.489 10.741 1.00 0.00 O ATOM 804 CB ASP B 9 0.412 3.740 13.661 1.00 0.00 C ATOM 805 CG ASP B 9 0.674 5.235 13.714 1.00 0.00 C ATOM 806 OD1 ASP B 9 1.843 5.643 13.542 1.00 0.00 O ATOM 807 OD2 ASP B 9 -0.290 5.997 13.932 1.00 0.00 O ATOM 0 H ASP B 9 0.338 1.295 13.098 1.00 0.00 H new ATOM 0 HA ASP B 9 -0.561 3.715 11.733 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -0.491 3.516 14.228 1.00 0.00 H new ATOM 0 HB3 ASP B 9 1.233 3.216 14.150 1.00 0.00 H new ATOM 812 N GLN B 10 2.519 2.622 11.618 1.00 0.00 N ATOM 813 CA GLN B 10 3.803 2.763 10.946 1.00 0.00 C ATOM 814 C GLN B 10 3.702 2.429 9.456 1.00 0.00 C ATOM 815 O GLN B 10 4.587 1.786 8.886 1.00 0.00 O ATOM 816 CB GLN B 10 4.859 1.878 11.620 1.00 0.00 C ATOM 817 CG GLN B 10 5.676 2.604 12.679 1.00 0.00 C ATOM 818 CD GLN B 10 7.165 2.335 12.568 1.00 0.00 C ATOM 819 OE1 GLN B 10 7.612 1.599 11.687 1.00 0.00 O ATOM 820 NE2 GLN B 10 7.953 2.930 13.461 1.00 0.00 N ATOM 0 H GLN B 10 2.454 1.798 12.216 1.00 0.00 H new ATOM 0 HA GLN B 10 4.106 3.806 11.031 1.00 0.00 H new ATOM 0 HB2 GLN B 10 4.364 1.022 12.078 1.00 0.00 H new ATOM 0 HB3 GLN B 10 5.533 1.487 10.858 1.00 0.00 H new ATOM 0 HG2 GLN B 10 5.499 3.676 12.594 1.00 0.00 H new ATOM 0 HG3 GLN B 10 5.330 2.301 13.667 1.00 0.00 H new ATOM 0 HE21 GLN B 10 7.548 3.533 14.177 1.00 0.00 H new ATOM 0 HE22 GLN B 10 8.962 2.783 13.429 1.00 0.00 H new ATOM 829 N THR B 11 2.625 2.896 8.827 1.00 0.00 N ATOM 830 CA THR B 11 2.408 2.677 7.400 1.00 0.00 C ATOM 831 C THR B 11 1.323 3.572 6.787 1.00 0.00 C ATOM 832 O THR B 11 1.492 4.064 5.675 1.00 0.00 O ATOM 833 CB THR B 11 2.171 1.210 7.139 1.00 0.00 C ATOM 834 OG1 THR B 11 2.591 0.848 5.832 1.00 0.00 O ATOM 835 CG2 THR B 11 0.741 0.798 7.304 1.00 0.00 C ATOM 0 H THR B 11 1.887 3.430 9.286 1.00 0.00 H new ATOM 0 HA THR B 11 3.319 2.981 6.885 1.00 0.00 H new ATOM 0 HB THR B 11 2.763 0.688 7.891 1.00 0.00 H new ATOM 0 HG1 THR B 11 3.368 0.253 5.891 1.00 0.00 H new ATOM 0 HG21 THR B 11 0.644 -0.269 7.101 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.418 1.004 8.325 1.00 0.00 H new ATOM 0 HG23 THR B 11 0.118 1.358 6.607 1.00 0.00 H new ATOM 843 N LEU B 12 0.249 3.832 7.517 1.00 0.00 N ATOM 844 CA LEU B 12 -0.800 4.721 7.039 1.00 0.00 C ATOM 845 C LEU B 12 -0.317 6.143 7.270 1.00 0.00 C ATOM 846 O LEU B 12 -0.425 7.017 6.409 1.00 0.00 O ATOM 847 CB LEU B 12 -2.102 4.484 7.805 1.00 0.00 C ATOM 848 CG LEU B 12 -2.498 3.027 8.021 1.00 0.00 C ATOM 849 CD1 LEU B 12 -3.658 2.940 9.000 1.00 0.00 C ATOM 850 CD2 LEU B 12 -2.863 2.339 6.706 1.00 0.00 C ATOM 0 H LEU B 12 0.081 3.440 8.443 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.001 4.538 5.983 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -2.019 4.965 8.780 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.910 4.984 7.271 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.635 2.506 8.437 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.933 1.895 9.147 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.362 3.375 9.955 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.512 3.487 8.601 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.139 1.303 6.902 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.704 2.858 6.245 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.007 2.365 6.032 1.00 0.00 H new ATOM 862 N GLU B 13 0.265 6.322 8.452 1.00 0.00 N ATOM 863 CA GLU B 13 0.851 7.584 8.877 1.00 0.00 C ATOM 864 C GLU B 13 2.292 7.670 8.387 1.00 0.00 C ATOM 865 O GLU B 13 2.824 8.754 8.140 1.00 0.00 O ATOM 866 CB GLU B 13 0.861 7.642 10.392 1.00 0.00 C ATOM 867 CG GLU B 13 -0.515 7.531 11.021 1.00 0.00 C ATOM 868 CD GLU B 13 -0.884 8.753 11.839 1.00 0.00 C ATOM 869 OE1 GLU B 13 -0.456 8.837 13.009 1.00 0.00 O ATOM 870 OE2 GLU B 13 -1.600 9.628 11.309 1.00 0.00 O ATOM 0 H GLU B 13 0.343 5.582 9.150 1.00 0.00 H new ATOM 0 HA GLU B 13 0.266 8.407 8.466 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.490 6.837 10.772 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.319 8.580 10.707 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.258 7.386 10.237 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.548 6.648 11.659 1.00 0.00 H new ATOM 877 N ASP B 14 2.903 6.486 8.285 1.00 0.00 N ATOM 878 CA ASP B 14 4.287 6.296 7.859 1.00 0.00 C ATOM 879 C ASP B 14 4.682 7.177 6.678 1.00 0.00 C ATOM 880 O ASP B 14 5.873 7.409 6.461 1.00 0.00 O ATOM 881 CB ASP B 14 4.539 4.825 7.488 1.00 0.00 C ATOM 882 CG ASP B 14 6.007 4.450 7.553 1.00 0.00 C ATOM 883 OD1 ASP B 14 6.506 4.192 8.669 1.00 0.00 O ATOM 884 OD2 ASP B 14 6.658 4.413 6.487 1.00 0.00 O ATOM 0 H ASP B 14 2.431 5.609 8.504 1.00 0.00 H new ATOM 0 HA ASP B 14 4.903 6.588 8.709 1.00 0.00 H new ATOM 0 HB2 ASP B 14 3.973 4.182 8.163 1.00 0.00 H new ATOM 0 HB3 ASP B 14 4.165 4.639 6.481 1.00 0.00 H new ATOM 889 N LEU B 15 3.705 7.682 5.921 1.00 0.00 N ATOM 890 CA LEU B 15 4.038 8.539 4.796 1.00 0.00 C ATOM 891 C LEU B 15 3.139 9.761 4.672 1.00 0.00 C ATOM 892 O LEU B 15 2.567 10.022 3.610 1.00 0.00 O ATOM 893 CB LEU B 15 4.124 7.785 3.453 1.00 0.00 C ATOM 894 CG LEU B 15 2.958 6.894 3.008 1.00 0.00 C ATOM 895 CD1 LEU B 15 2.971 5.576 3.724 1.00 0.00 C ATOM 896 CD2 LEU B 15 1.615 7.574 3.143 1.00 0.00 C ATOM 0 H LEU B 15 2.709 7.516 6.064 1.00 0.00 H new ATOM 0 HA LEU B 15 5.040 8.901 5.029 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.283 8.528 2.672 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.017 7.161 3.486 1.00 0.00 H new ATOM 0 HG LEU B 15 3.106 6.705 1.945 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.131 4.969 3.385 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.904 5.055 3.511 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.887 5.744 4.798 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.829 6.895 2.813 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.447 7.844 4.186 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.599 8.474 2.528 1.00 0.00 H new ATOM 908 N GLU B 16 3.070 10.553 5.736 1.00 0.00 N ATOM 909 CA GLU B 16 2.292 11.782 5.699 1.00 0.00 C ATOM 910 C GLU B 16 2.787 12.663 4.544 1.00 0.00 C ATOM 911 O GLU B 16 2.039 13.477 4.014 1.00 0.00 O ATOM 912 CB GLU B 16 2.397 12.533 7.034 1.00 0.00 C ATOM 913 CG GLU B 16 1.399 12.063 8.087 1.00 0.00 C ATOM 914 CD GLU B 16 1.944 12.166 9.499 1.00 0.00 C ATOM 915 OE1 GLU B 16 2.031 13.298 10.023 1.00 0.00 O ATOM 916 OE2 GLU B 16 2.280 11.114 10.083 1.00 0.00 O ATOM 0 H GLU B 16 3.537 10.368 6.624 1.00 0.00 H new ATOM 0 HA GLU B 16 1.243 11.534 5.538 1.00 0.00 H new ATOM 0 HB2 GLU B 16 3.407 12.416 7.427 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.246 13.597 6.854 1.00 0.00 H new ATOM 0 HG2 GLU B 16 0.489 12.657 8.009 1.00 0.00 H new ATOM 0 HG3 GLU B 16 1.123 11.028 7.883 1.00 0.00 H new ATOM 923 N LYS B 17 4.056 12.474 4.153 1.00 0.00 N ATOM 924 CA LYS B 17 4.659 13.222 3.068 1.00 0.00 C ATOM 925 C LYS B 17 4.354 12.596 1.701 1.00 0.00 C ATOM 926 O LYS B 17 4.001 13.305 0.760 1.00 0.00 O ATOM 927 CB LYS B 17 6.161 13.309 3.273 1.00 0.00 C ATOM 928 CG LYS B 17 6.558 13.898 4.617 1.00 0.00 C ATOM 929 CD LYS B 17 7.970 14.463 4.587 1.00 0.00 C ATOM 930 CE LYS B 17 8.018 15.886 5.112 1.00 0.00 C ATOM 931 NZ LYS B 17 7.386 16.016 6.457 1.00 0.00 N ATOM 0 H LYS B 17 4.683 11.796 4.587 1.00 0.00 H new ATOM 0 HA LYS B 17 4.227 14.223 3.077 1.00 0.00 H new ATOM 0 HB2 LYS B 17 6.590 12.311 3.182 1.00 0.00 H new ATOM 0 HB3 LYS B 17 6.593 13.916 2.478 1.00 0.00 H new ATOM 0 HG2 LYS B 17 5.856 14.686 4.891 1.00 0.00 H new ATOM 0 HG3 LYS B 17 6.490 13.129 5.386 1.00 0.00 H new ATOM 0 HD2 LYS B 17 8.627 13.832 5.186 1.00 0.00 H new ATOM 0 HD3 LYS B 17 8.350 14.439 3.565 1.00 0.00 H new ATOM 0 HE2 LYS B 17 9.056 16.215 5.167 1.00 0.00 H new ATOM 0 HE3 LYS B 17 7.511 16.547 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 7.825 16.806 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 6.368 16.198 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 7.524 15.135 6.992 1.00 0.00 H new ATOM 945 N MET B 18 4.485 11.264 1.598 1.00 0.00 N ATOM 946 CA MET B 18 4.211 10.554 0.338 1.00 0.00 C ATOM 947 C MET B 18 2.774 10.791 -0.109 1.00 0.00 C ATOM 948 O MET B 18 2.463 10.712 -1.295 1.00 0.00 O ATOM 949 CB MET B 18 4.467 9.048 0.481 1.00 0.00 C ATOM 950 CG MET B 18 5.797 8.725 1.136 1.00 0.00 C ATOM 951 SD MET B 18 6.460 7.088 0.706 1.00 0.00 S ATOM 952 CE MET B 18 5.162 5.957 1.238 1.00 0.00 C ATOM 0 H MET B 18 4.777 10.660 2.366 1.00 0.00 H new ATOM 0 HA MET B 18 4.890 10.950 -0.417 1.00 0.00 H new ATOM 0 HB2 MET B 18 3.663 8.604 1.068 1.00 0.00 H new ATOM 0 HB3 MET B 18 4.434 8.586 -0.505 1.00 0.00 H new ATOM 0 HG2 MET B 18 6.524 9.486 0.851 1.00 0.00 H new ATOM 0 HG3 MET B 18 5.681 8.785 2.218 1.00 0.00 H new ATOM 0 HE1 MET B 18 5.000 5.201 0.469 1.00 0.00 H new ATOM 0 HE2 MET B 18 5.461 5.472 2.167 1.00 0.00 H new ATOM 0 HE3 MET B 18 4.239 6.513 1.400 1.00 0.00 H new ATOM 962 N ALA B 19 1.904 11.079 0.856 1.00 0.00 N ATOM 963 CA ALA B 19 0.490 11.339 0.565 1.00 0.00 C ATOM 964 C ALA B 19 0.161 12.840 0.559 1.00 0.00 C ATOM 965 O ALA B 19 -0.213 13.377 -0.477 1.00 0.00 O ATOM 966 CB ALA B 19 -0.422 10.589 1.523 1.00 0.00 C ATOM 0 H ALA B 19 2.149 11.139 1.844 1.00 0.00 H new ATOM 0 HA ALA B 19 0.307 10.965 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -1.462 10.804 1.279 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -0.242 9.518 1.433 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -0.216 10.907 2.545 1.00 0.00 H new ATOM 972 N ARG B 20 0.282 13.517 1.707 1.00 0.00 N ATOM 973 CA ARG B 20 -0.032 14.946 1.785 1.00 0.00 C ATOM 974 C ARG B 20 0.942 15.790 0.986 1.00 0.00 C ATOM 975 O ARG B 20 0.562 16.436 0.009 1.00 0.00 O ATOM 976 CB ARG B 20 -0.056 15.411 3.237 1.00 0.00 C ATOM 977 CG ARG B 20 -1.293 14.968 4.007 1.00 0.00 C ATOM 978 CD ARG B 20 -0.935 14.328 5.334 1.00 0.00 C ATOM 979 NE ARG B 20 0.144 15.034 6.022 1.00 0.00 N ATOM 980 CZ ARG B 20 -0.035 16.083 6.830 1.00 0.00 C ATOM 981 NH1 ARG B 20 -1.255 16.562 7.061 1.00 0.00 N ATOM 982 NH2 ARG B 20 1.015 16.657 7.410 1.00 0.00 N ATOM 0 H ARG B 20 0.592 13.102 2.586 1.00 0.00 H new ATOM 0 HA ARG B 20 -1.021 15.080 1.347 1.00 0.00 H new ATOM 0 HB2 ARG B 20 0.831 15.031 3.744 1.00 0.00 H new ATOM 0 HB3 ARG B 20 0.004 16.499 3.261 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -1.939 15.828 4.182 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -1.861 14.260 3.404 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -1.817 14.307 5.974 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -0.639 13.293 5.166 1.00 0.00 H new ATOM 0 HE ARG B 20 1.098 14.704 5.875 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -2.065 16.128 6.619 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -1.380 17.363 7.680 1.00 0.00 H new ATOM 0 HH21 ARG B 20 1.953 16.296 7.237 1.00 0.00 H new ATOM 0 HH22 ARG B 20 0.882 17.458 8.027 1.00 0.00 H new ATOM 996 N ARG B 21 2.187 15.786 1.418 1.00 0.00 N ATOM 997 CA ARG B 21 3.244 16.544 0.768 1.00 0.00 C ATOM 998 C ARG B 21 3.270 16.290 -0.743 1.00 0.00 C ATOM 999 O ARG B 21 3.575 17.190 -1.528 1.00 0.00 O ATOM 1000 CB ARG B 21 4.590 16.184 1.389 1.00 0.00 C ATOM 1001 CG ARG B 21 5.490 17.383 1.642 1.00 0.00 C ATOM 1002 CD ARG B 21 5.212 18.019 2.997 1.00 0.00 C ATOM 1003 NE ARG B 21 3.839 18.515 3.105 1.00 0.00 N ATOM 1004 CZ ARG B 21 3.400 19.643 2.539 1.00 0.00 C ATOM 1005 NH1 ARG B 21 4.223 20.407 1.822 1.00 0.00 N ATOM 1006 NH2 ARG B 21 2.132 20.009 2.690 1.00 0.00 N ATOM 0 H ARG B 21 2.498 15.256 2.232 1.00 0.00 H new ATOM 0 HA ARG B 21 3.046 17.605 0.920 1.00 0.00 H new ATOM 0 HB2 ARG B 21 4.417 15.666 2.332 1.00 0.00 H new ATOM 0 HB3 ARG B 21 5.108 15.485 0.732 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.533 17.072 1.593 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.341 18.123 0.855 1.00 0.00 H new ATOM 0 HD2 ARG B 21 5.395 17.287 3.784 1.00 0.00 H new ATOM 0 HD3 ARG B 21 5.908 18.842 3.159 1.00 0.00 H new ATOM 0 HE ARG B 21 3.174 17.964 3.648 1.00 0.00 H new ATOM 0 HH11 ARG B 21 5.198 20.133 1.701 1.00 0.00 H new ATOM 0 HH12 ARG B 21 3.878 21.266 1.394 1.00 0.00 H new ATOM 0 HH21 ARG B 21 1.496 19.429 3.237 1.00 0.00 H new ATOM 0 HH22 ARG B 21 1.795 20.870 2.259 1.00 0.00 H new ATOM 1020 N GLU B 22 2.940 15.057 -1.135 1.00 0.00 N ATOM 1021 CA GLU B 22 2.912 14.663 -2.546 1.00 0.00 C ATOM 1022 C GLU B 22 1.602 15.069 -3.230 1.00 0.00 C ATOM 1023 O GLU B 22 1.508 15.034 -4.458 1.00 0.00 O ATOM 1024 CB GLU B 22 3.106 13.150 -2.679 1.00 0.00 C ATOM 1025 CG GLU B 22 4.529 12.692 -2.399 1.00 0.00 C ATOM 1026 CD GLU B 22 5.455 12.909 -3.581 1.00 0.00 C ATOM 1027 OE1 GLU B 22 6.032 14.012 -3.688 1.00 0.00 O ATOM 1028 OE2 GLU B 22 5.603 11.977 -4.399 1.00 0.00 O ATOM 0 H GLU B 22 2.687 14.309 -0.489 1.00 0.00 H new ATOM 0 HA GLU B 22 3.729 15.187 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU B 22 2.428 12.643 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU B 22 2.826 12.843 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU B 22 4.917 13.231 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU B 22 4.521 11.634 -2.138 1.00 0.00 H new ATOM 1035 N GLY B 23 0.585 15.426 -2.436 1.00 0.00 N ATOM 1036 CA GLY B 23 -0.705 15.796 -2.997 1.00 0.00 C ATOM 1037 C GLY B 23 -1.621 14.590 -3.145 1.00 0.00 C ATOM 1038 O GLY B 23 -2.793 14.729 -3.500 1.00 0.00 O ATOM 0 H GLY B 23 0.635 15.464 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.181 16.538 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.558 16.263 -3.971 1.00 0.00 H new ATOM 1042 N LEU B 24 -1.073 13.403 -2.867 1.00 0.00 N ATOM 1043 CA LEU B 24 -1.803 12.151 -2.955 1.00 0.00 C ATOM 1044 C LEU B 24 -2.827 12.013 -1.826 1.00 0.00 C ATOM 1045 O LEU B 24 -2.923 12.857 -0.932 1.00 0.00 O ATOM 1046 CB LEU B 24 -0.803 10.978 -2.874 1.00 0.00 C ATOM 1047 CG LEU B 24 0.129 10.845 -4.073 1.00 0.00 C ATOM 1048 CD1 LEU B 24 1.270 9.895 -3.758 1.00 0.00 C ATOM 1049 CD2 LEU B 24 -0.642 10.384 -5.298 1.00 0.00 C ATOM 0 H LEU B 24 -0.103 13.292 -2.573 1.00 0.00 H new ATOM 0 HA LEU B 24 -2.340 12.137 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.199 11.096 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -1.363 10.049 -2.763 1.00 0.00 H new ATOM 0 HG LEU B 24 0.556 11.824 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.925 9.813 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.838 10.277 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.868 8.912 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU B 24 0.039 10.295 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.100 9.415 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.420 11.111 -5.533 1.00 0.00 H new ATOM 1061 N SER B 25 -3.560 10.914 -1.881 1.00 0.00 N ATOM 1062 CA SER B 25 -4.571 10.568 -0.887 1.00 0.00 C ATOM 1063 C SER B 25 -4.191 9.242 -0.220 1.00 0.00 C ATOM 1064 O SER B 25 -3.277 8.560 -0.682 1.00 0.00 O ATOM 1065 CB SER B 25 -5.951 10.464 -1.552 1.00 0.00 C ATOM 1066 OG SER B 25 -6.103 9.230 -2.236 1.00 0.00 O ATOM 0 H SER B 25 -3.471 10.224 -2.627 1.00 0.00 H new ATOM 0 HA SER B 25 -4.618 11.348 -0.127 1.00 0.00 H new ATOM 0 HB2 SER B 25 -6.730 10.561 -0.795 1.00 0.00 H new ATOM 0 HB3 SER B 25 -6.082 11.289 -2.252 1.00 0.00 H new ATOM 0 HG SER B 25 -6.991 9.192 -2.648 1.00 0.00 H new ATOM 1072 N LYS B 26 -4.882 8.880 0.864 1.00 0.00 N ATOM 1073 CA LYS B 26 -4.587 7.629 1.583 1.00 0.00 C ATOM 1074 C LYS B 26 -4.478 6.429 0.629 1.00 0.00 C ATOM 1075 O LYS B 26 -3.644 5.546 0.836 1.00 0.00 O ATOM 1076 CB LYS B 26 -5.652 7.341 2.658 1.00 0.00 C ATOM 1077 CG LYS B 26 -5.485 8.146 3.943 1.00 0.00 C ATOM 1078 CD LYS B 26 -5.562 7.244 5.178 1.00 0.00 C ATOM 1079 CE LYS B 26 -4.398 7.476 6.165 1.00 0.00 C ATOM 1080 NZ LYS B 26 -3.114 7.848 5.479 1.00 0.00 N ATOM 0 H LYS B 26 -5.644 9.427 1.264 1.00 0.00 H new ATOM 0 HA LYS B 26 -3.620 7.768 2.067 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -6.637 7.547 2.240 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -5.625 6.279 2.903 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -4.526 8.665 3.928 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -6.260 8.910 3.999 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -6.507 7.419 5.691 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -5.560 6.201 4.861 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -4.673 8.266 6.864 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -4.241 6.572 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -2.308 7.524 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -3.077 7.397 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -3.067 8.881 5.367 1.00 0.00 H new ATOM 1094 N SER B 27 -5.324 6.395 -0.406 1.00 0.00 N ATOM 1095 CA SER B 27 -5.317 5.296 -1.373 1.00 0.00 C ATOM 1096 C SER B 27 -4.325 5.533 -2.501 1.00 0.00 C ATOM 1097 O SER B 27 -3.524 4.655 -2.809 1.00 0.00 O ATOM 1098 CB SER B 27 -6.722 5.080 -1.939 1.00 0.00 C ATOM 1099 OG SER B 27 -6.971 5.921 -3.055 1.00 0.00 O ATOM 0 H SER B 27 -6.021 7.116 -0.594 1.00 0.00 H new ATOM 0 HA SER B 27 -4.999 4.398 -0.844 1.00 0.00 H new ATOM 0 HB2 SER B 27 -6.839 4.038 -2.235 1.00 0.00 H new ATOM 0 HB3 SER B 27 -7.462 5.276 -1.163 1.00 0.00 H new ATOM 0 HG SER B 27 -7.284 5.379 -3.809 1.00 0.00 H new ATOM 1105 N GLU B 28 -4.374 6.713 -3.115 1.00 0.00 N ATOM 1106 CA GLU B 28 -3.458 7.033 -4.203 1.00 0.00 C ATOM 1107 C GLU B 28 -2.001 6.994 -3.725 1.00 0.00 C ATOM 1108 O GLU B 28 -1.082 6.969 -4.545 1.00 0.00 O ATOM 1109 CB GLU B 28 -3.798 8.388 -4.830 1.00 0.00 C ATOM 1110 CG GLU B 28 -4.308 8.270 -6.254 1.00 0.00 C ATOM 1111 CD GLU B 28 -3.278 7.672 -7.196 1.00 0.00 C ATOM 1112 OE1 GLU B 28 -2.379 8.416 -7.643 1.00 0.00 O ATOM 1113 OE2 GLU B 28 -3.369 6.460 -7.484 1.00 0.00 O ATOM 0 H GLU B 28 -5.032 7.456 -2.880 1.00 0.00 H new ATOM 0 HA GLU B 28 -3.576 6.272 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -4.552 8.886 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.910 9.020 -4.819 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -5.206 7.652 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -4.596 9.257 -6.616 1.00 0.00 H new ATOM 1120 N MET B 29 -1.794 6.925 -2.399 1.00 0.00 N ATOM 1121 CA MET B 29 -0.462 6.813 -1.835 1.00 0.00 C ATOM 1122 C MET B 29 -0.104 5.355 -1.831 1.00 0.00 C ATOM 1123 O MET B 29 1.021 4.956 -2.139 1.00 0.00 O ATOM 1124 CB MET B 29 -0.432 7.375 -0.363 1.00 0.00 C ATOM 1125 CG MET B 29 -0.191 6.355 0.753 1.00 0.00 C ATOM 1126 SD MET B 29 1.243 5.312 0.482 1.00 0.00 S ATOM 1127 CE MET B 29 2.302 6.490 -0.343 1.00 0.00 C ATOM 0 H MET B 29 -2.542 6.946 -1.706 1.00 0.00 H new ATOM 0 HA MET B 29 0.249 7.391 -2.425 1.00 0.00 H new ATOM 0 HB2 MET B 29 0.347 8.136 -0.304 1.00 0.00 H new ATOM 0 HB3 MET B 29 -1.381 7.875 -0.169 1.00 0.00 H new ATOM 0 HG2 MET B 29 -0.070 6.885 1.697 1.00 0.00 H new ATOM 0 HG3 MET B 29 -1.074 5.724 0.853 1.00 0.00 H new ATOM 0 HE1 MET B 29 3.282 6.043 -0.512 1.00 0.00 H new ATOM 0 HE2 MET B 29 1.860 6.768 -1.300 1.00 0.00 H new ATOM 0 HE3 MET B 29 2.411 7.379 0.279 1.00 0.00 H new ATOM 1137 N ILE B 30 -1.083 4.574 -1.436 1.00 0.00 N ATOM 1138 CA ILE B 30 -0.928 3.179 -1.302 1.00 0.00 C ATOM 1139 C ILE B 30 -0.998 2.417 -2.634 1.00 0.00 C ATOM 1140 O ILE B 30 -0.398 1.348 -2.754 1.00 0.00 O ATOM 1141 CB ILE B 30 -1.943 2.743 -0.258 1.00 0.00 C ATOM 1142 CG1 ILE B 30 -1.181 2.472 1.037 1.00 0.00 C ATOM 1143 CG2 ILE B 30 -2.796 1.609 -0.739 1.00 0.00 C ATOM 1144 CD1 ILE B 30 -0.503 1.118 1.085 1.00 0.00 C ATOM 0 H ILE B 30 -2.015 4.914 -1.200 1.00 0.00 H new ATOM 0 HA ILE B 30 0.078 2.927 -0.966 1.00 0.00 H new ATOM 0 HB ILE B 30 -2.670 3.531 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -0.428 3.248 1.172 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -1.873 2.550 1.876 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -3.506 1.332 0.040 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -3.340 1.916 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.164 0.753 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE B 30 0.016 1.004 2.037 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -1.252 0.332 0.984 1.00 0.00 H new ATOM 0 HD13 ILE B 30 0.216 1.042 0.269 1.00 0.00 H new ATOM 1156 N ASN B 31 -1.663 2.982 -3.648 1.00 0.00 N ATOM 1157 CA ASN B 31 -1.705 2.340 -4.967 1.00 0.00 C ATOM 1158 C ASN B 31 -0.309 2.343 -5.553 1.00 0.00 C ATOM 1159 O ASN B 31 0.217 1.317 -5.985 1.00 0.00 O ATOM 1160 CB ASN B 31 -2.635 3.075 -5.962 1.00 0.00 C ATOM 1161 CG ASN B 31 -2.051 3.074 -7.388 1.00 0.00 C ATOM 1162 OD1 ASN B 31 -2.401 2.225 -8.206 1.00 0.00 O ATOM 1163 ND2 ASN B 31 -1.154 4.029 -7.690 1.00 0.00 N ATOM 0 H ASN B 31 -2.170 3.865 -3.584 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.091 1.331 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.614 2.596 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -2.785 4.102 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -0.741 4.065 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -0.886 4.718 -6.987 1.00 0.00 H new ATOM 1170 N VAL B 32 0.250 3.540 -5.593 1.00 0.00 N ATOM 1171 CA VAL B 32 1.541 3.775 -6.150 1.00 0.00 C ATOM 1172 C VAL B 32 2.629 3.077 -5.384 1.00 0.00 C ATOM 1173 O VAL B 32 3.609 2.606 -5.964 1.00 0.00 O ATOM 1174 CB VAL B 32 1.802 5.269 -6.277 1.00 0.00 C ATOM 1175 CG1 VAL B 32 1.841 6.008 -4.952 1.00 0.00 C ATOM 1176 CG2 VAL B 32 3.067 5.426 -7.008 1.00 0.00 C ATOM 0 H VAL B 32 -0.200 4.380 -5.229 1.00 0.00 H new ATOM 0 HA VAL B 32 1.553 3.344 -7.151 1.00 0.00 H new ATOM 0 HB VAL B 32 0.968 5.722 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.032 7.066 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL B 32 0.884 5.893 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL B 32 2.635 5.597 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL B 32 3.292 6.486 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL B 32 3.870 4.942 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL B 32 2.978 4.967 -7.992 1.00 0.00 H new ATOM 1186 N ALA B 33 2.415 2.966 -4.097 1.00 0.00 N ATOM 1187 CA ALA B 33 3.335 2.268 -3.222 1.00 0.00 C ATOM 1188 C ALA B 33 3.627 0.880 -3.752 1.00 0.00 C ATOM 1189 O ALA B 33 4.685 0.307 -3.483 1.00 0.00 O ATOM 1190 CB ALA B 33 2.759 2.126 -1.850 1.00 0.00 C ATOM 0 H ALA B 33 1.600 3.355 -3.623 1.00 0.00 H new ATOM 0 HA ALA B 33 4.252 2.855 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.467 1.599 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA B 33 2.561 3.114 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA B 33 1.828 1.561 -1.903 1.00 0.00 H new ATOM 1196 N LEU B 34 2.663 0.327 -4.483 1.00 0.00 N ATOM 1197 CA LEU B 34 2.803 -0.999 -5.014 1.00 0.00 C ATOM 1198 C LEU B 34 3.439 -1.006 -6.409 1.00 0.00 C ATOM 1199 O LEU B 34 4.047 -2.000 -6.811 1.00 0.00 O ATOM 1200 CB LEU B 34 1.454 -1.693 -5.051 1.00 0.00 C ATOM 1201 CG LEU B 34 0.592 -1.465 -3.826 1.00 0.00 C ATOM 1202 CD1 LEU B 34 -0.714 -2.138 -4.027 1.00 0.00 C ATOM 1203 CD2 LEU B 34 1.306 -1.980 -2.603 1.00 0.00 C ATOM 0 H LEU B 34 1.782 0.787 -4.714 1.00 0.00 H new ATOM 0 HA LEU B 34 3.475 -1.542 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.909 -1.352 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.615 -2.764 -5.171 1.00 0.00 H new ATOM 0 HG LEU B 34 0.410 -0.401 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.343 -1.981 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.206 -1.722 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.554 -3.206 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.685 -1.815 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.499 -3.047 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.252 -1.451 -2.484 1.00 0.00 H new ATOM 1215 N GLN B 35 3.264 0.093 -7.160 1.00 0.00 N ATOM 1216 CA GLN B 35 3.785 0.189 -8.519 1.00 0.00 C ATOM 1217 C GLN B 35 5.327 0.266 -8.588 1.00 0.00 C ATOM 1218 O GLN B 35 5.921 -0.335 -9.486 1.00 0.00 O ATOM 1219 CB GLN B 35 3.094 1.347 -9.265 1.00 0.00 C ATOM 1220 CG GLN B 35 1.899 0.873 -10.082 1.00 0.00 C ATOM 1221 CD GLN B 35 1.057 1.994 -10.661 1.00 0.00 C ATOM 1222 OE1 GLN B 35 0.538 1.871 -11.770 1.00 0.00 O ATOM 1223 NE2 GLN B 35 0.904 3.095 -9.932 1.00 0.00 N ATOM 0 H GLN B 35 2.765 0.924 -6.843 1.00 0.00 H new ATOM 0 HA GLN B 35 3.542 -0.743 -9.030 1.00 0.00 H new ATOM 0 HB2 GLN B 35 2.765 2.096 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN B 35 3.813 1.833 -9.924 1.00 0.00 H new ATOM 0 HG2 GLN B 35 2.257 0.244 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN B 35 1.267 0.248 -9.451 1.00 0.00 H new ATOM 0 HE21 GLN B 35 1.347 3.166 -9.016 1.00 0.00 H new ATOM 0 HE22 GLN B 35 0.343 3.869 -10.288 1.00 0.00 H new ATOM 1232 N HIS B 36 5.985 0.960 -7.648 1.00 0.00 N ATOM 1233 CA HIS B 36 7.463 1.030 -7.653 1.00 0.00 C ATOM 1234 C HIS B 36 8.069 -0.222 -7.007 1.00 0.00 C ATOM 1235 O HIS B 36 9.066 -0.760 -7.492 1.00 0.00 O ATOM 1236 CB HIS B 36 7.990 2.256 -6.906 1.00 0.00 C ATOM 1237 CG HIS B 36 7.234 2.530 -5.667 1.00 0.00 C ATOM 1238 ND1 HIS B 36 6.268 3.486 -5.605 1.00 0.00 N ATOM 1239 CD2 HIS B 36 7.250 1.921 -4.464 1.00 0.00 C ATOM 1240 CE1 HIS B 36 5.707 3.462 -4.429 1.00 0.00 C ATOM 1241 NE2 HIS B 36 6.283 2.517 -3.707 1.00 0.00 N ATOM 0 H HIS B 36 5.535 1.472 -6.889 1.00 0.00 H new ATOM 0 HA HIS B 36 7.760 1.101 -8.699 1.00 0.00 H new ATOM 0 HB2 HIS B 36 9.041 2.104 -6.661 1.00 0.00 H new ATOM 0 HB3 HIS B 36 7.938 3.126 -7.560 1.00 0.00 H new ATOM 0 HD1 HIS B 36 6.021 4.123 -6.362 1.00 0.00 H new ATOM 0 HD2 HIS B 36 7.902 1.116 -4.158 1.00 0.00 H new ATOM 0 HE1 HIS B 36 4.905 4.107 -4.100 1.00 0.00 H new ATOM 1250 N TYR B 37 7.455 -0.666 -5.899 1.00 0.00 N ATOM 1251 CA TYR B 37 7.911 -1.841 -5.151 1.00 0.00 C ATOM 1252 C TYR B 37 8.168 -3.042 -6.072 1.00 0.00 C ATOM 1253 O TYR B 37 7.504 -3.199 -7.097 1.00 0.00 O ATOM 1254 CB TYR B 37 6.868 -2.229 -4.105 1.00 0.00 C ATOM 1255 CG TYR B 37 7.192 -3.523 -3.439 1.00 0.00 C ATOM 1256 CD1 TYR B 37 8.409 -3.708 -2.818 1.00 0.00 C ATOM 1257 CD2 TYR B 37 6.299 -4.564 -3.464 1.00 0.00 C ATOM 1258 CE1 TYR B 37 8.731 -4.898 -2.231 1.00 0.00 C ATOM 1259 CE2 TYR B 37 6.602 -5.764 -2.876 1.00 0.00 C ATOM 1260 CZ TYR B 37 7.823 -5.934 -2.255 1.00 0.00 C ATOM 1261 OH TYR B 37 8.133 -7.135 -1.661 1.00 0.00 O ATOM 0 H TYR B 37 6.630 -0.219 -5.499 1.00 0.00 H new ATOM 0 HA TYR B 37 8.851 -1.574 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR B 37 6.800 -1.443 -3.353 1.00 0.00 H new ATOM 0 HB3 TYR B 37 5.890 -2.302 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR B 37 9.121 -2.896 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR B 37 5.345 -4.436 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR B 37 9.690 -5.026 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR B 37 5.888 -6.574 -2.898 1.00 0.00 H new ATOM 0 HH TYR B 37 7.383 -7.756 -1.768 1.00 0.00 H new ATOM 1271 N LYS B 38 9.116 -3.895 -5.658 1.00 0.00 N ATOM 1272 CA LYS B 38 9.483 -5.108 -6.361 1.00 0.00 C ATOM 1273 C LYS B 38 10.243 -4.819 -7.665 1.00 0.00 C ATOM 1274 O LYS B 38 11.145 -5.613 -8.005 1.00 0.00 O ATOM 1275 CB LYS B 38 8.226 -5.935 -6.591 1.00 0.00 C ATOM 1276 CG LYS B 38 7.678 -5.835 -7.993 1.00 0.00 C ATOM 1277 CD LYS B 38 8.330 -6.876 -8.905 1.00 0.00 C ATOM 1278 CE LYS B 38 7.705 -8.269 -8.772 1.00 0.00 C ATOM 1279 NZ LYS B 38 8.571 -9.360 -9.373 1.00 0.00 N ATOM 1280 OXT LYS B 38 9.942 -3.801 -8.327 1.00 0.00 O ATOM 0 H LYS B 38 9.654 -3.747 -4.804 1.00 0.00 H new ATOM 0 HA LYS B 38 10.179 -5.681 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS B 38 8.445 -6.980 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS B 38 7.458 -5.614 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS B 38 6.598 -5.983 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS B 38 7.857 -4.835 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS B 38 8.248 -6.545 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS B 38 9.393 -6.938 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS B 38 7.534 -8.486 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS B 38 6.731 -8.274 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 8.101 -10.280 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 8.714 -9.171 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 9.492 -9.377 -8.890 1.00 0.00 H new TER 1294 LYS B 38