USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 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 15 CYS SG : rot 180:sc= -0.882 USER MOD Set 1.2: A 59 TYR OH : rot -30:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot 64:sc= 0.719 USER MOD Set 2.2: A 38 LYS NZ :NH3+ -148:sc= 0.713 (180deg=0) USER MOD Single : A 1 MET CE :methyl -133:sc= -1.88 (180deg=-4.76!) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1.05 (180deg=-1.1) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.17) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 170:sc= -0.0224 (180deg=-0.191) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.525 K(o=0.53,f=-0.012) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 34 SER OG : rot 160:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.801) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.315 K(o=-0.32,f=-5.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 29:sc= 0.271 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.620 2.138 2.060 1.00 0.00 N ATOM 2 CA MET A 1 13.098 3.474 2.400 1.00 0.00 C ATOM 3 C MET A 1 11.718 3.259 3.016 1.00 0.00 C ATOM 4 O MET A 1 11.317 2.114 3.240 1.00 0.00 O ATOM 5 CB MET A 1 13.057 4.384 1.150 1.00 0.00 C ATOM 6 CG MET A 1 14.182 5.420 1.074 1.00 0.00 C ATOM 7 SD MET A 1 15.734 4.896 0.308 1.00 0.00 S ATOM 8 CE MET A 1 16.355 3.763 1.569 1.00 0.00 C ATOM 0 H1 MET A 1 14.154 2.190 1.169 1.00 0.00 H new ATOM 0 H2 MET A 1 14.247 1.807 2.820 1.00 0.00 H new ATOM 0 H3 MET A 1 12.828 1.473 1.950 1.00 0.00 H new ATOM 0 HA MET A 1 13.744 3.988 3.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.099 3.757 0.260 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.100 4.905 1.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.809 6.285 0.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.401 5.756 2.087 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.405 3.979 1.767 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.780 3.889 2.486 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.256 2.736 1.216 1.00 0.00 H new ATOM 18 N ARG A 2 10.952 4.319 3.261 1.00 0.00 N ATOM 19 CA ARG A 2 9.504 4.212 3.226 1.00 0.00 C ATOM 20 C ARG A 2 8.962 5.105 2.122 1.00 0.00 C ATOM 21 O ARG A 2 9.616 6.053 1.686 1.00 0.00 O ATOM 22 CB ARG A 2 8.891 4.473 4.607 1.00 0.00 C ATOM 23 CG ARG A 2 9.018 5.937 5.011 1.00 0.00 C ATOM 24 CD ARG A 2 8.399 6.216 6.378 1.00 0.00 C ATOM 25 NE ARG A 2 8.698 7.590 6.769 1.00 0.00 N ATOM 26 CZ ARG A 2 8.306 8.227 7.867 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.698 7.594 8.867 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.533 9.530 7.917 1.00 0.00 N ATOM 0 H ARG A 2 11.308 5.249 3.483 1.00 0.00 H new ATOM 0 HA ARG A 2 9.209 3.191 2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.839 4.188 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.385 3.846 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.071 6.217 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.534 6.562 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.321 6.063 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.794 5.520 7.118 1.00 0.00 H new ATOM 0 HE ARG A 2 9.277 8.125 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.521 6.591 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.409 8.111 9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.990 9.999 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.251 10.066 8.738 1.00 0.00 H new ATOM 42 N TYR A 3 7.759 4.785 1.673 1.00 0.00 N ATOM 43 CA TYR A 3 7.167 5.348 0.473 1.00 0.00 C ATOM 44 C TYR A 3 5.667 5.426 0.697 1.00 0.00 C ATOM 45 O TYR A 3 5.068 4.412 1.061 1.00 0.00 O ATOM 46 CB TYR A 3 7.463 4.436 -0.726 1.00 0.00 C ATOM 47 CG TYR A 3 8.913 4.025 -0.914 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.805 4.893 -1.565 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.353 2.754 -0.493 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.096 4.453 -1.910 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.646 2.312 -0.829 1.00 0.00 C ATOM 52 CZ TYR A 3 11.484 3.132 -1.612 1.00 0.00 C ATOM 53 OH TYR A 3 12.676 2.651 -2.050 1.00 0.00 O ATOM 0 H TYR A 3 7.155 4.112 2.144 1.00 0.00 H new ATOM 0 HA TYR A 3 7.578 6.336 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.861 3.533 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.130 4.942 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.499 5.901 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.699 2.120 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.786 5.124 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.995 1.348 -0.488 1.00 0.00 H new ATOM 0 HH TYR A 3 12.783 1.723 -1.753 1.00 0.00 H new ATOM 63 N VAL A 4 5.055 6.595 0.504 1.00 0.00 N ATOM 64 CA VAL A 4 3.622 6.796 0.625 1.00 0.00 C ATOM 65 C VAL A 4 2.979 6.753 -0.756 1.00 0.00 C ATOM 66 O VAL A 4 3.130 7.650 -1.586 1.00 0.00 O ATOM 67 CB VAL A 4 3.300 8.018 1.492 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.800 9.374 1.010 1.00 0.00 C ATOM 69 CG2 VAL A 4 1.797 8.082 1.782 1.00 0.00 C ATOM 0 H VAL A 4 5.560 7.445 0.253 1.00 0.00 H new ATOM 0 HA VAL A 4 3.161 5.976 1.176 1.00 0.00 H new ATOM 0 HB VAL A 4 3.879 7.842 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.500 10.145 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.887 9.354 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.371 9.594 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.582 8.955 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.248 8.157 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.490 7.180 2.311 1.00 0.00 H new ATOM 79 N LEU A 5 2.294 5.648 -1.009 1.00 0.00 N ATOM 80 CA LEU A 5 1.532 5.329 -2.212 1.00 0.00 C ATOM 81 C LEU A 5 0.206 6.090 -2.181 1.00 0.00 C ATOM 82 O LEU A 5 -0.230 6.523 -1.111 1.00 0.00 O ATOM 83 CB LEU A 5 1.227 3.823 -2.254 1.00 0.00 C ATOM 84 CG LEU A 5 2.326 2.851 -1.785 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.859 1.433 -2.108 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.708 3.074 -2.402 1.00 0.00 C ATOM 0 H LEU A 5 2.252 4.891 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 5 2.115 5.612 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.341 3.644 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.967 3.563 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 5 2.461 3.027 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.617 0.718 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.925 1.230 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.702 1.338 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.407 2.338 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.645 2.967 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.059 4.076 -2.156 1.00 0.00 H new ATOM 98 N TYR A 6 -0.485 6.187 -3.314 1.00 0.00 N ATOM 99 CA TYR A 6 -1.776 6.849 -3.452 1.00 0.00 C ATOM 100 C TYR A 6 -2.737 5.879 -4.141 1.00 0.00 C ATOM 101 O TYR A 6 -2.644 5.663 -5.349 1.00 0.00 O ATOM 102 CB TYR A 6 -1.575 8.160 -4.228 1.00 0.00 C ATOM 103 CG TYR A 6 -2.746 9.120 -4.223 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.473 9.362 -3.040 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.057 9.844 -5.389 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.499 10.316 -3.021 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.080 10.802 -5.377 1.00 0.00 C ATOM 108 CZ TYR A 6 -4.793 11.054 -4.185 1.00 0.00 C ATOM 109 OH TYR A 6 -5.792 11.973 -4.157 1.00 0.00 O ATOM 0 H TYR A 6 -0.148 5.792 -4.192 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.211 7.113 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.707 8.674 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.337 7.914 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.238 8.809 -2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.504 9.660 -6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.063 10.485 -2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.322 11.346 -6.278 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.870 12.398 -5.037 1.00 0.00 H new ATOM 119 N VAL A 7 -3.588 5.215 -3.362 1.00 0.00 N ATOM 120 CA VAL A 7 -4.400 4.068 -3.765 1.00 0.00 C ATOM 121 C VAL A 7 -5.887 4.466 -3.658 1.00 0.00 C ATOM 122 O VAL A 7 -6.485 4.285 -2.598 1.00 0.00 O ATOM 123 CB VAL A 7 -3.995 2.829 -2.929 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.759 1.543 -3.308 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.491 2.511 -3.050 1.00 0.00 C ATOM 0 H VAL A 7 -3.738 5.474 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.228 3.784 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.253 3.112 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.420 0.720 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.828 1.697 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.570 1.302 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.255 1.635 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.244 2.311 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.909 3.362 -2.696 1.00 0.00 H new ATOM 135 N PRO A 8 -6.497 5.081 -4.685 1.00 0.00 N ATOM 136 CA PRO A 8 -7.896 5.492 -4.643 1.00 0.00 C ATOM 137 C PRO A 8 -8.925 4.443 -4.180 1.00 0.00 C ATOM 138 O PRO A 8 -9.965 4.844 -3.657 1.00 0.00 O ATOM 139 CB PRO A 8 -8.241 6.013 -6.039 1.00 0.00 C ATOM 140 CG PRO A 8 -6.933 6.019 -6.837 1.00 0.00 C ATOM 141 CD PRO A 8 -5.835 5.658 -5.845 1.00 0.00 C ATOM 0 HA PRO A 8 -7.976 6.249 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.985 5.376 -6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.667 7.015 -5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.972 5.300 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.751 6.998 -7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.134 4.948 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.261 6.541 -5.564 1.00 0.00 H new ATOM 149 N ASP A 9 -8.686 3.132 -4.323 1.00 0.00 N ATOM 150 CA ASP A 9 -9.684 2.122 -3.927 1.00 0.00 C ATOM 151 C ASP A 9 -9.756 1.925 -2.413 1.00 0.00 C ATOM 152 O ASP A 9 -10.666 1.246 -1.929 1.00 0.00 O ATOM 153 CB ASP A 9 -9.437 0.772 -4.624 1.00 0.00 C ATOM 154 CG ASP A 9 -10.107 0.693 -5.995 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.116 1.710 -6.727 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.483 -0.418 -6.427 1.00 0.00 O ATOM 0 H ASP A 9 -7.822 2.747 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.647 2.513 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.364 0.616 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.812 -0.034 -3.993 1.00 0.00 H new ATOM 161 N ILE A 10 -8.867 2.538 -1.623 1.00 0.00 N ATOM 162 CA ILE A 10 -8.958 2.515 -0.160 1.00 0.00 C ATOM 163 C ILE A 10 -10.022 3.537 0.314 1.00 0.00 C ATOM 164 O ILE A 10 -9.872 4.169 1.354 1.00 0.00 O ATOM 165 CB ILE A 10 -7.572 2.730 0.513 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.453 1.990 -0.253 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.581 2.350 2.026 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.115 1.876 0.463 1.00 0.00 C ATOM 0 H ILE A 10 -8.067 3.062 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.283 1.524 0.156 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.358 3.798 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.804 0.985 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.292 2.500 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.591 2.518 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.310 2.967 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.849 1.299 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.409 1.338 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.728 2.873 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.248 1.334 1.399 1.00 0.00 H new ATOM 180 N SER A 11 -11.115 3.733 -0.426 1.00 0.00 N ATOM 181 CA SER A 11 -12.246 4.533 0.025 1.00 0.00 C ATOM 182 C SER A 11 -13.009 3.877 1.187 1.00 0.00 C ATOM 183 O SER A 11 -13.812 4.565 1.823 1.00 0.00 O ATOM 184 CB SER A 11 -13.198 4.749 -1.152 1.00 0.00 C ATOM 185 OG SER A 11 -12.653 5.638 -2.102 1.00 0.00 O ATOM 0 H SER A 11 -11.237 3.338 -1.358 1.00 0.00 H new ATOM 0 HA SER A 11 -11.856 5.482 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.412 3.792 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.147 5.142 -0.786 1.00 0.00 H new ATOM 0 HG SER A 11 -11.846 5.243 -2.494 1.00 0.00 H new ATOM 191 N CYS A 12 -12.805 2.582 1.468 1.00 0.00 N ATOM 192 CA CYS A 12 -13.573 1.817 2.451 1.00 0.00 C ATOM 193 C CYS A 12 -12.654 1.016 3.373 1.00 0.00 C ATOM 194 O CYS A 12 -11.519 0.699 3.023 1.00 0.00 O ATOM 195 CB CYS A 12 -14.526 0.891 1.692 1.00 0.00 C ATOM 196 SG CYS A 12 -15.970 1.825 1.124 1.00 0.00 S ATOM 0 H CYS A 12 -12.084 2.028 1.006 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.139 2.499 3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.012 0.445 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.843 0.072 2.338 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.773 1.032 0.479 1.00 0.00 H new ATOM 202 N ASN A 13 -13.134 0.649 4.564 1.00 0.00 N ATOM 203 CA ASN A 13 -12.236 0.094 5.579 1.00 0.00 C ATOM 204 C ASN A 13 -11.935 -1.386 5.339 1.00 0.00 C ATOM 205 O ASN A 13 -10.785 -1.799 5.438 1.00 0.00 O ATOM 206 CB ASN A 13 -12.757 0.330 6.994 1.00 0.00 C ATOM 207 CG ASN A 13 -11.638 -0.023 7.963 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.519 -1.163 8.396 1.00 0.00 O ATOM 209 ND2 ASN A 13 -10.783 0.928 8.297 1.00 0.00 N ATOM 0 H ASN A 13 -14.112 0.723 4.844 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.294 0.634 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.060 1.369 7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.637 -0.284 7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.007 0.719 8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.899 1.871 7.926 1.00 0.00 H new ATOM 216 N HIS A 14 -12.918 -2.186 4.917 1.00 0.00 N ATOM 217 CA HIS A 14 -12.659 -3.560 4.467 1.00 0.00 C ATOM 218 C HIS A 14 -11.732 -3.598 3.255 1.00 0.00 C ATOM 219 O HIS A 14 -11.027 -4.594 3.060 1.00 0.00 O ATOM 220 CB HIS A 14 -13.992 -4.243 4.154 1.00 0.00 C ATOM 221 CG HIS A 14 -13.874 -5.611 3.520 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.970 -5.879 2.171 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.626 -6.795 4.162 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.797 -7.200 2.003 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.577 -7.804 3.189 1.00 0.00 N ATOM 0 H HIS A 14 -13.899 -1.909 4.877 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.150 -4.097 5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.562 -4.335 5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.566 -3.599 3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.492 -6.928 5.225 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.829 -7.708 1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.408 -8.798 3.347 1.00 0.00 H new ATOM 233 N CYS A 15 -11.681 -2.522 2.464 1.00 0.00 N ATOM 234 CA CYS A 15 -10.683 -2.436 1.425 1.00 0.00 C ATOM 235 C CYS A 15 -9.286 -2.433 2.050 1.00 0.00 C ATOM 236 O CYS A 15 -8.366 -3.019 1.484 1.00 0.00 O ATOM 237 CB CYS A 15 -10.937 -1.235 0.516 1.00 0.00 C ATOM 238 SG CYS A 15 -12.542 -1.475 -0.295 1.00 0.00 S ATOM 0 H CYS A 15 -12.309 -1.721 2.530 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.749 -3.314 0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.937 -0.312 1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.144 -1.145 -0.227 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.789 -0.466 -1.076 1.00 0.00 H new ATOM 244 N LYS A 16 -9.069 -1.772 3.193 1.00 0.00 N ATOM 245 CA LYS A 16 -7.732 -1.600 3.775 1.00 0.00 C ATOM 246 C LYS A 16 -7.084 -2.949 4.053 1.00 0.00 C ATOM 247 O LYS A 16 -5.915 -3.155 3.717 1.00 0.00 O ATOM 248 CB LYS A 16 -7.842 -0.725 5.027 1.00 0.00 C ATOM 249 CG LYS A 16 -6.489 -0.373 5.639 1.00 0.00 C ATOM 250 CD LYS A 16 -6.621 0.369 6.975 1.00 0.00 C ATOM 251 CE LYS A 16 -5.794 -0.283 8.092 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.543 -1.321 8.832 1.00 0.00 N ATOM 0 H LYS A 16 -9.814 -1.341 3.740 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.078 -1.093 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.369 0.195 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.446 -1.243 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.914 -1.287 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.927 0.245 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.301 1.403 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.670 0.395 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.897 -0.727 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.464 0.487 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.935 -1.726 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.386 -0.896 9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.836 -2.073 8.175 1.00 0.00 H new ATOM 266 N MET A 17 -7.875 -3.899 4.553 1.00 0.00 N ATOM 267 CA MET A 17 -7.456 -5.280 4.754 1.00 0.00 C ATOM 268 C MET A 17 -6.846 -5.894 3.493 1.00 0.00 C ATOM 269 O MET A 17 -5.909 -6.683 3.601 1.00 0.00 O ATOM 270 CB MET A 17 -8.645 -6.132 5.168 1.00 0.00 C ATOM 271 CG MET A 17 -9.294 -5.782 6.505 1.00 0.00 C ATOM 272 SD MET A 17 -10.960 -6.486 6.670 1.00 0.00 S ATOM 273 CE MET A 17 -10.612 -8.249 6.430 1.00 0.00 C ATOM 0 H MET A 17 -8.840 -3.724 4.833 1.00 0.00 H new ATOM 0 HA MET A 17 -6.696 -5.264 5.535 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.405 -6.061 4.390 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.324 -7.173 5.206 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.666 -6.147 7.318 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.349 -4.698 6.607 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.499 -8.832 6.677 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.338 -8.428 5.390 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.789 -8.549 7.079 1.00 0.00 H new ATOM 283 N ARG A 18 -7.353 -5.540 2.304 1.00 0.00 N ATOM 284 CA ARG A 18 -6.887 -6.089 1.031 1.00 0.00 C ATOM 285 C ARG A 18 -5.396 -5.824 0.881 1.00 0.00 C ATOM 286 O ARG A 18 -4.646 -6.731 0.530 1.00 0.00 O ATOM 287 CB ARG A 18 -7.694 -5.538 -0.156 1.00 0.00 C ATOM 288 CG ARG A 18 -9.199 -5.794 0.030 1.00 0.00 C ATOM 289 CD ARG A 18 -9.964 -6.281 -1.205 1.00 0.00 C ATOM 290 NE ARG A 18 -10.388 -7.690 -1.169 1.00 0.00 N ATOM 291 CZ ARG A 18 -9.621 -8.781 -1.240 1.00 0.00 C ATOM 292 NH1 ARG A 18 -8.300 -8.693 -1.214 1.00 0.00 N ATOM 293 NH2 ARG A 18 -10.208 -9.967 -1.332 1.00 0.00 N ATOM 0 H ARG A 18 -8.105 -4.858 2.202 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.049 -7.167 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.514 -4.468 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.354 -6.006 -1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.325 -6.531 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.663 -4.871 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.848 -5.656 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.336 -6.130 -2.083 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.391 -7.853 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.851 -7.780 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.731 -9.538 -1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.226 -10.032 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.642 -10.813 -1.387 1.00 0.00 H new ATOM 307 N ILE A 19 -4.961 -4.602 1.208 1.00 0.00 N ATOM 308 CA ILE A 19 -3.566 -4.226 1.132 1.00 0.00 C ATOM 309 C ILE A 19 -2.828 -4.998 2.206 1.00 0.00 C ATOM 310 O ILE A 19 -1.957 -5.793 1.864 1.00 0.00 O ATOM 311 CB ILE A 19 -3.388 -2.699 1.255 1.00 0.00 C ATOM 312 CG1 ILE A 19 -3.972 -1.997 0.015 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.912 -2.308 1.386 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.427 -1.610 0.204 1.00 0.00 C ATOM 0 H ILE A 19 -5.575 -3.854 1.531 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.148 -4.481 0.158 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.916 -2.385 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.386 -1.104 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.883 -2.656 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.829 -1.224 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.490 -2.775 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.366 -2.646 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.793 -1.118 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.020 -2.505 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.515 -0.929 1.050 1.00 0.00 H new ATOM 326 N SER A 20 -3.134 -4.762 3.486 1.00 0.00 N ATOM 327 CA SER A 20 -2.296 -5.219 4.573 1.00 0.00 C ATOM 328 C SER A 20 -2.095 -6.726 4.539 1.00 0.00 C ATOM 329 O SER A 20 -0.973 -7.187 4.706 1.00 0.00 O ATOM 330 CB SER A 20 -2.916 -4.830 5.903 1.00 0.00 C ATOM 331 OG SER A 20 -3.583 -3.575 5.853 1.00 0.00 O ATOM 0 H SER A 20 -3.965 -4.252 3.785 1.00 0.00 H new ATOM 0 HA SER A 20 -1.323 -4.742 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.624 -5.601 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.137 -4.793 6.665 1.00 0.00 H new ATOM 0 HG SER A 20 -3.965 -3.372 6.732 1.00 0.00 H new ATOM 337 N LYS A 21 -3.159 -7.487 4.275 1.00 0.00 N ATOM 338 CA LYS A 21 -3.077 -8.936 4.235 1.00 0.00 C ATOM 339 C LYS A 21 -2.047 -9.365 3.183 1.00 0.00 C ATOM 340 O LYS A 21 -1.134 -10.127 3.480 1.00 0.00 O ATOM 341 CB LYS A 21 -4.487 -9.491 3.981 1.00 0.00 C ATOM 342 CG LYS A 21 -4.550 -11.022 3.938 1.00 0.00 C ATOM 343 CD LYS A 21 -5.988 -11.536 4.104 1.00 0.00 C ATOM 344 CE LYS A 21 -6.966 -11.058 3.023 1.00 0.00 C ATOM 345 NZ LYS A 21 -8.269 -11.746 3.147 1.00 0.00 N ATOM 0 H LYS A 21 -4.090 -7.115 4.086 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.729 -9.347 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.156 -9.131 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.859 -9.095 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.144 -11.377 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.923 -11.434 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.972 -12.626 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.362 -11.222 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.110 -9.981 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.544 -11.246 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.913 -11.406 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.131 -12.772 3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.680 -11.545 4.081 1.00 0.00 H new ATOM 359 N ALA A 22 -2.157 -8.814 1.972 1.00 0.00 N ATOM 360 CA ALA A 22 -1.222 -9.039 0.879 1.00 0.00 C ATOM 361 C ALA A 22 0.191 -8.517 1.179 1.00 0.00 C ATOM 362 O ALA A 22 1.160 -9.054 0.642 1.00 0.00 O ATOM 363 CB ALA A 22 -1.808 -8.372 -0.369 1.00 0.00 C ATOM 0 H ALA A 22 -2.920 -8.184 1.723 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.101 -10.112 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.133 -8.520 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.777 -8.816 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.932 -7.305 -0.187 1.00 0.00 H new ATOM 369 N LEU A 23 0.333 -7.478 2.009 1.00 0.00 N ATOM 370 CA LEU A 23 1.634 -6.953 2.407 1.00 0.00 C ATOM 371 C LEU A 23 2.332 -7.901 3.375 1.00 0.00 C ATOM 372 O LEU A 23 3.537 -8.109 3.261 1.00 0.00 O ATOM 373 CB LEU A 23 1.514 -5.588 3.092 1.00 0.00 C ATOM 374 CG LEU A 23 1.130 -4.389 2.225 1.00 0.00 C ATOM 375 CD1 LEU A 23 1.154 -3.138 3.109 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.075 -4.219 1.036 1.00 0.00 C ATOM 0 H LEU A 23 -0.455 -6.980 2.422 1.00 0.00 H new ATOM 0 HA LEU A 23 2.215 -6.850 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.775 -5.676 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.470 -5.366 3.567 1.00 0.00 H new ATOM 0 HG LEU A 23 0.134 -4.550 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.883 -2.266 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.441 -3.256 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.155 -3.001 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.766 -3.356 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.092 -4.066 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.042 -5.114 0.414 1.00 0.00 H new ATOM 388 N GLU A 24 1.613 -8.454 4.350 1.00 0.00 N ATOM 389 CA GLU A 24 2.204 -9.389 5.303 1.00 0.00 C ATOM 390 C GLU A 24 2.775 -10.598 4.568 1.00 0.00 C ATOM 391 O GLU A 24 3.885 -11.030 4.866 1.00 0.00 O ATOM 392 CB GLU A 24 1.185 -9.827 6.358 1.00 0.00 C ATOM 393 CG GLU A 24 0.755 -8.639 7.227 1.00 0.00 C ATOM 394 CD GLU A 24 0.479 -9.058 8.662 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.459 -9.307 9.404 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.690 -8.995 9.105 1.00 0.00 O ATOM 0 H GLU A 24 0.621 -8.270 4.500 1.00 0.00 H new ATOM 0 HA GLU A 24 3.015 -8.878 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.312 -10.260 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.618 -10.605 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.536 -7.878 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.140 -8.184 6.803 1.00 0.00 H new ATOM 403 N GLU A 25 2.071 -11.095 3.551 1.00 0.00 N ATOM 404 CA GLU A 25 2.523 -12.218 2.739 1.00 0.00 C ATOM 405 C GLU A 25 3.704 -11.817 1.847 1.00 0.00 C ATOM 406 O GLU A 25 4.422 -12.681 1.345 1.00 0.00 O ATOM 407 CB GLU A 25 1.361 -12.741 1.886 1.00 0.00 C ATOM 408 CG GLU A 25 0.236 -13.315 2.759 1.00 0.00 C ATOM 409 CD GLU A 25 -0.878 -13.975 1.952 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.577 -14.741 1.008 1.00 0.00 O ATOM 411 OE2 GLU A 25 -2.080 -13.773 2.267 1.00 0.00 O ATOM 0 H GLU A 25 1.164 -10.724 3.268 1.00 0.00 H new ATOM 0 HA GLU A 25 2.864 -13.010 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.968 -11.932 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.725 -13.512 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.658 -14.046 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.189 -12.514 3.364 1.00 0.00 H new ATOM 418 N LEU A 26 3.928 -10.516 1.661 1.00 0.00 N ATOM 419 CA LEU A 26 5.065 -9.944 0.951 1.00 0.00 C ATOM 420 C LEU A 26 6.332 -9.977 1.815 1.00 0.00 C ATOM 421 O LEU A 26 7.447 -9.976 1.293 1.00 0.00 O ATOM 422 CB LEU A 26 4.718 -8.494 0.553 1.00 0.00 C ATOM 423 CG LEU A 26 5.009 -8.161 -0.918 1.00 0.00 C ATOM 424 CD1 LEU A 26 4.318 -6.844 -1.273 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.482 -8.047 -1.309 1.00 0.00 C ATOM 0 H LEU A 26 3.292 -9.803 2.018 1.00 0.00 H new ATOM 0 HA LEU A 26 5.267 -10.536 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.661 -8.317 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.281 -7.810 1.188 1.00 0.00 H new ATOM 0 HG LEU A 26 4.626 -9.015 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.518 -6.598 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.243 -6.945 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.700 -6.049 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.559 -7.809 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.953 -7.257 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.985 -8.994 -1.112 1.00 0.00 H new ATOM 437 N GLY A 27 6.179 -10.012 3.141 1.00 0.00 N ATOM 438 CA GLY A 27 7.289 -9.937 4.079 1.00 0.00 C ATOM 439 C GLY A 27 7.685 -8.493 4.395 1.00 0.00 C ATOM 440 O GLY A 27 8.868 -8.202 4.580 1.00 0.00 O ATOM 0 H GLY A 27 5.268 -10.094 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.016 -10.447 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.148 -10.465 3.665 1.00 0.00 H new ATOM 444 N VAL A 28 6.718 -7.572 4.427 1.00 0.00 N ATOM 445 CA VAL A 28 6.888 -6.249 5.027 1.00 0.00 C ATOM 446 C VAL A 28 7.001 -6.395 6.552 1.00 0.00 C ATOM 447 O VAL A 28 6.628 -7.439 7.099 1.00 0.00 O ATOM 448 CB VAL A 28 5.710 -5.345 4.610 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.425 -5.662 5.383 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.016 -3.848 4.751 1.00 0.00 C ATOM 0 H VAL A 28 5.789 -7.726 4.034 1.00 0.00 H new ATOM 0 HA VAL A 28 7.805 -5.779 4.672 1.00 0.00 H new ATOM 0 HB VAL A 28 5.558 -5.568 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.627 -4.997 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.135 -6.697 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.597 -5.518 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.146 -3.268 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.252 -3.621 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.867 -3.590 4.121 1.00 0.00 H new ATOM 460 N LYS A 29 7.433 -5.341 7.256 1.00 0.00 N ATOM 461 CA LYS A 29 7.255 -5.263 8.709 1.00 0.00 C ATOM 462 C LYS A 29 6.733 -3.934 9.241 1.00 0.00 C ATOM 463 O LYS A 29 6.415 -3.867 10.428 1.00 0.00 O ATOM 464 CB LYS A 29 8.565 -5.693 9.403 1.00 0.00 C ATOM 465 CG LYS A 29 8.438 -7.066 10.090 1.00 0.00 C ATOM 466 CD LYS A 29 9.662 -7.977 9.908 1.00 0.00 C ATOM 467 CE LYS A 29 9.420 -9.076 8.869 1.00 0.00 C ATOM 468 NZ LYS A 29 8.608 -10.195 9.393 1.00 0.00 N ATOM 0 H LYS A 29 7.905 -4.536 6.845 1.00 0.00 H new ATOM 0 HA LYS A 29 6.451 -5.956 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.368 -5.730 8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.845 -4.943 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.269 -6.912 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.558 -7.576 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.518 -7.375 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.917 -8.434 10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.919 -8.645 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.380 -9.461 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.477 -10.908 8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.095 -10.628 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.680 -9.838 9.697 1.00 0.00 H new ATOM 482 N ASN A 30 6.569 -2.891 8.424 1.00 0.00 N ATOM 483 CA ASN A 30 6.039 -1.610 8.872 1.00 0.00 C ATOM 484 C ASN A 30 5.302 -1.035 7.677 1.00 0.00 C ATOM 485 O ASN A 30 5.838 -1.022 6.565 1.00 0.00 O ATOM 486 CB ASN A 30 7.153 -0.654 9.321 1.00 0.00 C ATOM 487 CG ASN A 30 7.821 -1.064 10.617 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.267 -0.880 11.699 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.027 -1.595 10.525 1.00 0.00 N ATOM 0 H ASN A 30 6.802 -2.916 7.431 1.00 0.00 H new ATOM 0 HA ASN A 30 5.389 -1.742 9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.907 -0.595 8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.736 0.346 9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.530 -1.867 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.455 -1.733 9.609 1.00 0.00 H new ATOM 496 N TYR A 31 4.056 -0.637 7.892 1.00 0.00 N ATOM 497 CA TYR A 31 3.189 -0.037 6.898 1.00 0.00 C ATOM 498 C TYR A 31 2.119 0.761 7.626 1.00 0.00 C ATOM 499 O TYR A 31 1.867 0.555 8.816 1.00 0.00 O ATOM 500 CB TYR A 31 2.635 -1.117 5.963 1.00 0.00 C ATOM 501 CG TYR A 31 1.662 -2.072 6.619 1.00 0.00 C ATOM 502 CD1 TYR A 31 0.330 -1.662 6.798 1.00 0.00 C ATOM 503 CD2 TYR A 31 2.099 -3.307 7.136 1.00 0.00 C ATOM 504 CE1 TYR A 31 -0.551 -2.446 7.553 1.00 0.00 C ATOM 505 CE2 TYR A 31 1.224 -4.110 7.885 1.00 0.00 C ATOM 506 CZ TYR A 31 -0.102 -3.661 8.111 1.00 0.00 C ATOM 507 OH TYR A 31 -0.988 -4.361 8.859 1.00 0.00 O ATOM 0 H TYR A 31 3.607 -0.729 8.803 1.00 0.00 H new ATOM 0 HA TYR A 31 3.732 0.654 6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.139 -0.633 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.468 -1.689 5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.015 -0.741 6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.111 -3.638 6.956 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.570 -2.122 7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.556 -5.057 8.284 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.563 -5.180 9.188 1.00 0.00 H new ATOM 517 N GLU A 32 1.478 1.667 6.902 1.00 0.00 N ATOM 518 CA GLU A 32 0.531 2.628 7.456 1.00 0.00 C ATOM 519 C GLU A 32 -0.477 3.023 6.384 1.00 0.00 C ATOM 520 O GLU A 32 -0.203 3.864 5.529 1.00 0.00 O ATOM 521 CB GLU A 32 1.266 3.863 8.002 1.00 0.00 C ATOM 522 CG GLU A 32 1.323 3.873 9.529 1.00 0.00 C ATOM 523 CD GLU A 32 1.805 5.240 9.992 1.00 0.00 C ATOM 524 OE1 GLU A 32 1.015 6.210 9.936 1.00 0.00 O ATOM 525 OE2 GLU A 32 3.011 5.373 10.300 1.00 0.00 O ATOM 0 H GLU A 32 1.603 1.758 5.894 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.001 2.167 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.280 3.886 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.765 4.766 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.338 3.659 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.996 3.094 9.887 1.00 0.00 H new ATOM 532 N VAL A 33 -1.646 2.400 6.400 1.00 0.00 N ATOM 533 CA VAL A 33 -2.725 2.635 5.463 1.00 0.00 C ATOM 534 C VAL A 33 -3.834 3.478 6.112 1.00 0.00 C ATOM 535 O VAL A 33 -4.400 3.096 7.137 1.00 0.00 O ATOM 536 CB VAL A 33 -3.148 1.293 4.828 1.00 0.00 C ATOM 537 CG1 VAL A 33 -3.250 0.138 5.820 1.00 0.00 C ATOM 538 CG2 VAL A 33 -4.302 1.557 3.862 1.00 0.00 C ATOM 0 H VAL A 33 -1.874 1.689 7.095 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.405 3.252 4.623 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.354 0.880 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.552 -0.768 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.281 -0.023 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.990 0.378 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.614 0.619 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.140 1.991 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.976 2.249 3.086 1.00 0.00 H new ATOM 548 N SER A 34 -4.172 4.611 5.494 1.00 0.00 N ATOM 549 CA SER A 34 -5.188 5.553 5.941 1.00 0.00 C ATOM 550 C SER A 34 -6.308 5.577 4.905 1.00 0.00 C ATOM 551 O SER A 34 -6.070 5.837 3.721 1.00 0.00 O ATOM 552 CB SER A 34 -4.546 6.928 6.133 1.00 0.00 C ATOM 553 OG SER A 34 -5.473 7.870 6.638 1.00 0.00 O ATOM 0 H SER A 34 -3.721 4.906 4.628 1.00 0.00 H new ATOM 0 HA SER A 34 -5.615 5.255 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.702 6.844 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.150 7.281 5.181 1.00 0.00 H new ATOM 0 HG SER A 34 -4.989 8.619 7.044 1.00 0.00 H new ATOM 559 N VAL A 35 -7.527 5.276 5.353 1.00 0.00 N ATOM 560 CA VAL A 35 -8.713 5.157 4.512 1.00 0.00 C ATOM 561 C VAL A 35 -9.313 6.543 4.239 1.00 0.00 C ATOM 562 O VAL A 35 -9.892 6.770 3.175 1.00 0.00 O ATOM 563 CB VAL A 35 -9.722 4.220 5.214 1.00 0.00 C ATOM 564 CG1 VAL A 35 -10.946 3.856 4.364 1.00 0.00 C ATOM 565 CG2 VAL A 35 -9.063 2.898 5.657 1.00 0.00 C ATOM 0 H VAL A 35 -7.720 5.104 6.340 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.451 4.728 3.545 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.058 4.801 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.601 3.196 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.487 4.764 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.620 3.349 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.805 2.267 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.665 2.380 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.252 3.111 6.354 1.00 0.00 H new ATOM 575 N GLU A 36 -9.146 7.505 5.157 1.00 0.00 N ATOM 576 CA GLU A 36 -9.532 8.879 4.861 1.00 0.00 C ATOM 577 C GLU A 36 -8.647 9.403 3.738 1.00 0.00 C ATOM 578 O GLU A 36 -9.159 9.912 2.739 1.00 0.00 O ATOM 579 CB GLU A 36 -9.483 9.794 6.094 1.00 0.00 C ATOM 580 CG GLU A 36 -10.753 9.648 6.945 1.00 0.00 C ATOM 581 CD GLU A 36 -11.076 10.926 7.721 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.427 11.207 8.755 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.055 11.615 7.349 1.00 0.00 O ATOM 0 H GLU A 36 -8.755 7.357 6.087 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.574 8.882 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.608 9.550 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.372 10.831 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.594 9.394 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.627 8.822 7.645 1.00 0.00 H new ATOM 590 N GLU A 37 -7.332 9.240 3.877 1.00 0.00 N ATOM 591 CA GLU A 37 -6.364 9.871 2.988 1.00 0.00 C ATOM 592 C GLU A 37 -6.114 9.053 1.710 1.00 0.00 C ATOM 593 O GLU A 37 -5.383 9.514 0.833 1.00 0.00 O ATOM 594 CB GLU A 37 -5.038 10.090 3.728 1.00 0.00 C ATOM 595 CG GLU A 37 -5.097 10.792 5.090 1.00 0.00 C ATOM 596 CD GLU A 37 -3.789 10.574 5.844 1.00 0.00 C ATOM 597 OE1 GLU A 37 -2.710 10.958 5.329 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.851 9.989 6.954 1.00 0.00 O ATOM 0 H GLU A 37 -6.911 8.667 4.608 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.787 10.829 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.567 9.117 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.382 10.669 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.274 11.859 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.932 10.404 5.673 1.00 0.00 H new ATOM 605 N LYS A 38 -6.698 7.852 1.596 1.00 0.00 N ATOM 606 CA LYS A 38 -6.510 6.895 0.500 1.00 0.00 C ATOM 607 C LYS A 38 -5.026 6.609 0.220 1.00 0.00 C ATOM 608 O LYS A 38 -4.577 6.554 -0.929 1.00 0.00 O ATOM 609 CB LYS A 38 -7.280 7.345 -0.753 1.00 0.00 C ATOM 610 CG LYS A 38 -8.765 7.653 -0.497 1.00 0.00 C ATOM 611 CD LYS A 38 -9.465 7.822 -1.846 1.00 0.00 C ATOM 612 CE LYS A 38 -10.889 8.365 -1.728 1.00 0.00 C ATOM 613 NZ LYS A 38 -11.615 8.182 -3.003 1.00 0.00 N ATOM 0 H LYS A 38 -7.347 7.505 2.302 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.933 5.941 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.800 8.234 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.207 6.566 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.227 6.845 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.866 8.560 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.878 8.496 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.493 6.859 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.416 7.851 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.862 9.423 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.296 8.958 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.937 8.184 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.123 7.275 -2.986 1.00 0.00 H new ATOM 627 N LYS A 39 -4.233 6.417 1.276 1.00 0.00 N ATOM 628 CA LYS A 39 -2.783 6.231 1.179 1.00 0.00 C ATOM 629 C LYS A 39 -2.372 4.957 1.872 1.00 0.00 C ATOM 630 O LYS A 39 -3.040 4.512 2.802 1.00 0.00 O ATOM 631 CB LYS A 39 -2.064 7.434 1.808 1.00 0.00 C ATOM 632 CG LYS A 39 -1.889 8.547 0.770 1.00 0.00 C ATOM 633 CD LYS A 39 -1.944 9.932 1.385 1.00 0.00 C ATOM 634 CE LYS A 39 -0.786 10.240 2.331 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.028 11.479 3.094 1.00 0.00 N ATOM 0 H LYS A 39 -4.583 6.386 2.234 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.503 6.158 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.637 7.806 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.091 7.126 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.934 8.417 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.668 8.458 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.953 10.673 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.882 10.039 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.647 9.408 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.137 10.338 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.123 11.854 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.479 12.184 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.653 11.274 3.900 1.00 0.00 H new ATOM 649 N VAL A 40 -1.223 4.426 1.468 1.00 0.00 N ATOM 650 CA VAL A 40 -0.490 3.396 2.174 1.00 0.00 C ATOM 651 C VAL A 40 0.928 3.919 2.260 1.00 0.00 C ATOM 652 O VAL A 40 1.463 4.336 1.241 1.00 0.00 O ATOM 653 CB VAL A 40 -0.497 2.059 1.409 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.131 0.980 2.296 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.886 1.593 0.979 1.00 0.00 C ATOM 0 H VAL A 40 -0.764 4.717 0.605 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.937 3.198 3.148 1.00 0.00 H new ATOM 0 HB VAL A 40 0.073 2.222 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.132 0.028 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.156 1.260 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.447 0.883 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.803 0.645 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.514 1.461 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.333 2.340 0.323 1.00 0.00 H new ATOM 665 N VAL A 41 1.549 3.872 3.425 1.00 0.00 N ATOM 666 CA VAL A 41 2.992 3.869 3.533 1.00 0.00 C ATOM 667 C VAL A 41 3.398 2.408 3.624 1.00 0.00 C ATOM 668 O VAL A 41 2.724 1.635 4.307 1.00 0.00 O ATOM 669 CB VAL A 41 3.462 4.689 4.747 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.982 4.885 4.714 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.782 6.061 4.753 1.00 0.00 C ATOM 0 H VAL A 41 1.064 3.835 4.322 1.00 0.00 H new ATOM 0 HA VAL A 41 3.464 4.343 2.672 1.00 0.00 H new ATOM 0 HB VAL A 41 3.191 4.140 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.293 5.467 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.475 3.913 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.261 5.414 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.123 6.632 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.038 6.598 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.701 5.931 4.807 1.00 0.00 H new ATOM 681 N VAL A 42 4.475 2.028 2.951 1.00 0.00 N ATOM 682 CA VAL A 42 5.217 0.806 3.207 1.00 0.00 C ATOM 683 C VAL A 42 6.657 1.196 3.489 1.00 0.00 C ATOM 684 O VAL A 42 7.182 2.108 2.848 1.00 0.00 O ATOM 685 CB VAL A 42 5.140 -0.165 2.012 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.821 -0.942 2.079 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.283 0.538 0.646 1.00 0.00 C ATOM 0 H VAL A 42 4.867 2.580 2.188 1.00 0.00 H new ATOM 0 HA VAL A 42 4.785 0.284 4.061 1.00 0.00 H new ATOM 0 HB VAL A 42 5.987 -0.847 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.761 -1.630 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.777 -1.505 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.985 -0.244 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.220 -0.202 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.483 1.269 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.247 1.044 0.596 1.00 0.00 H new ATOM 697 N GLU A 43 7.283 0.485 4.417 1.00 0.00 N ATOM 698 CA GLU A 43 8.704 0.546 4.700 1.00 0.00 C ATOM 699 C GLU A 43 9.315 -0.748 4.164 1.00 0.00 C ATOM 700 O GLU A 43 9.221 -1.813 4.785 1.00 0.00 O ATOM 701 CB GLU A 43 8.881 0.753 6.204 1.00 0.00 C ATOM 702 CG GLU A 43 10.324 0.930 6.694 1.00 0.00 C ATOM 703 CD GLU A 43 10.990 -0.392 7.110 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.567 -1.032 8.109 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.986 -0.776 6.465 1.00 0.00 O ATOM 0 H GLU A 43 6.790 -0.177 5.017 1.00 0.00 H new ATOM 0 HA GLU A 43 9.216 1.378 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.308 1.632 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.445 -0.101 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.915 1.394 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.331 1.615 7.542 1.00 0.00 H new ATOM 712 N THR A 44 9.867 -0.685 2.954 1.00 0.00 N ATOM 713 CA THR A 44 10.631 -1.778 2.386 1.00 0.00 C ATOM 714 C THR A 44 11.763 -1.223 1.519 1.00 0.00 C ATOM 715 O THR A 44 11.880 -0.012 1.329 1.00 0.00 O ATOM 716 CB THR A 44 9.664 -2.769 1.709 1.00 0.00 C ATOM 717 OG1 THR A 44 10.251 -4.052 1.673 1.00 0.00 O ATOM 718 CG2 THR A 44 9.247 -2.363 0.296 1.00 0.00 C ATOM 0 H THR A 44 9.793 0.129 2.344 1.00 0.00 H new ATOM 0 HA THR A 44 11.145 -2.365 3.147 1.00 0.00 H new ATOM 0 HB THR A 44 8.756 -2.769 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.635 -4.682 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.567 -3.111 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.745 -1.396 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.131 -2.292 -0.338 1.00 0.00 H new ATOM 726 N GLU A 45 12.624 -2.104 1.008 1.00 0.00 N ATOM 727 CA GLU A 45 13.786 -1.732 0.206 1.00 0.00 C ATOM 728 C GLU A 45 13.512 -1.980 -1.281 1.00 0.00 C ATOM 729 O GLU A 45 14.037 -1.255 -2.122 1.00 0.00 O ATOM 730 CB GLU A 45 15.026 -2.477 0.745 1.00 0.00 C ATOM 731 CG GLU A 45 16.329 -1.667 0.673 1.00 0.00 C ATOM 732 CD GLU A 45 17.228 -2.038 -0.507 1.00 0.00 C ATOM 733 OE1 GLU A 45 16.985 -1.566 -1.639 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.198 -2.799 -0.285 1.00 0.00 O ATOM 0 H GLU A 45 12.531 -3.111 1.143 1.00 0.00 H new ATOM 0 HA GLU A 45 13.989 -0.665 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.844 -2.759 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.154 -3.401 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.083 -0.607 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.885 -1.810 1.599 1.00 0.00 H new ATOM 741 N ASN A 46 12.648 -2.946 -1.626 1.00 0.00 N ATOM 742 CA ASN A 46 12.177 -3.128 -3.003 1.00 0.00 C ATOM 743 C ASN A 46 10.724 -2.703 -3.103 1.00 0.00 C ATOM 744 O ASN A 46 9.813 -3.508 -2.893 1.00 0.00 O ATOM 745 CB ASN A 46 12.362 -4.545 -3.571 1.00 0.00 C ATOM 746 CG ASN A 46 11.924 -4.565 -5.043 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.649 -3.534 -5.654 1.00 0.00 O ATOM 748 ND2 ASN A 46 11.825 -5.722 -5.664 1.00 0.00 N ATOM 0 H ASN A 46 12.260 -3.617 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 46 12.811 -2.493 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.405 -4.849 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.774 -5.259 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.524 -5.754 -6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.050 -6.586 -5.171 1.00 0.00 H new ATOM 755 N LEU A 47 10.517 -1.428 -3.427 1.00 0.00 N ATOM 756 CA LEU A 47 9.191 -0.871 -3.635 1.00 0.00 C ATOM 757 C LEU A 47 8.439 -1.601 -4.748 1.00 0.00 C ATOM 758 O LEU A 47 7.239 -1.820 -4.633 1.00 0.00 O ATOM 759 CB LEU A 47 9.319 0.621 -3.968 1.00 0.00 C ATOM 760 CG LEU A 47 7.961 1.324 -4.146 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.081 1.204 -2.897 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.209 2.798 -4.439 1.00 0.00 C ATOM 0 H LEU A 47 11.271 -0.753 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 47 8.615 -0.999 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.876 1.117 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.901 0.733 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 47 7.436 0.841 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.134 1.715 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.893 0.152 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.590 1.660 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.255 3.309 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.752 3.248 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.798 2.894 -5.351 1.00 0.00 H new ATOM 774 N ASP A 48 9.117 -2.000 -5.820 1.00 0.00 N ATOM 775 CA ASP A 48 8.454 -2.501 -7.023 1.00 0.00 C ATOM 776 C ASP A 48 7.728 -3.828 -6.774 1.00 0.00 C ATOM 777 O ASP A 48 6.670 -4.093 -7.348 1.00 0.00 O ATOM 778 CB ASP A 48 9.502 -2.634 -8.132 1.00 0.00 C ATOM 779 CG ASP A 48 8.890 -3.121 -9.439 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.339 -2.274 -10.175 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.013 -4.340 -9.724 1.00 0.00 O ATOM 0 H ASP A 48 10.135 -1.986 -5.881 1.00 0.00 H new ATOM 0 HA ASP A 48 7.683 -1.793 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.983 -1.669 -8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.280 -3.329 -7.815 1.00 0.00 H new ATOM 786 N SER A 49 8.235 -4.646 -5.849 1.00 0.00 N ATOM 787 CA SER A 49 7.561 -5.855 -5.388 1.00 0.00 C ATOM 788 C SER A 49 6.219 -5.508 -4.725 1.00 0.00 C ATOM 789 O SER A 49 5.241 -6.250 -4.882 1.00 0.00 O ATOM 790 CB SER A 49 8.489 -6.631 -4.448 1.00 0.00 C ATOM 791 OG SER A 49 8.326 -8.021 -4.651 1.00 0.00 O ATOM 0 H SER A 49 9.134 -4.483 -5.396 1.00 0.00 H new ATOM 0 HA SER A 49 7.334 -6.496 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.526 -6.347 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.266 -6.377 -3.412 1.00 0.00 H new ATOM 0 HG SER A 49 8.923 -8.512 -4.049 1.00 0.00 H new ATOM 797 N VAL A 50 6.147 -4.370 -4.025 1.00 0.00 N ATOM 798 CA VAL A 50 4.922 -3.851 -3.439 1.00 0.00 C ATOM 799 C VAL A 50 3.985 -3.390 -4.547 1.00 0.00 C ATOM 800 O VAL A 50 2.826 -3.786 -4.547 1.00 0.00 O ATOM 801 CB VAL A 50 5.185 -2.717 -2.428 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.932 -2.517 -1.570 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.390 -2.987 -1.520 1.00 0.00 C ATOM 0 H VAL A 50 6.959 -3.778 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 50 4.451 -4.657 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 50 5.418 -1.819 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.107 -1.717 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.091 -2.252 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.705 -3.440 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.521 -2.152 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.220 -3.902 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.287 -3.100 -2.129 1.00 0.00 H new ATOM 813 N LEU A 51 4.440 -2.566 -5.492 1.00 0.00 N ATOM 814 CA LEU A 51 3.588 -2.021 -6.535 1.00 0.00 C ATOM 815 C LEU A 51 2.946 -3.114 -7.369 1.00 0.00 C ATOM 816 O LEU A 51 1.750 -3.059 -7.644 1.00 0.00 O ATOM 817 CB LEU A 51 4.469 -1.127 -7.391 1.00 0.00 C ATOM 818 CG LEU A 51 4.721 0.240 -6.741 1.00 0.00 C ATOM 819 CD1 LEU A 51 3.669 1.205 -7.266 1.00 0.00 C ATOM 820 CD2 LEU A 51 4.672 0.388 -5.212 1.00 0.00 C ATOM 0 H LEU A 51 5.412 -2.261 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 51 2.764 -1.459 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.423 -1.624 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.999 -0.983 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 51 5.762 0.428 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.822 2.188 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.753 1.281 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.676 0.839 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.875 1.424 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.684 0.105 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.423 -0.259 -4.760 1.00 0.00 H new ATOM 832 N LYS A 52 3.711 -4.153 -7.692 1.00 0.00 N ATOM 833 CA LYS A 52 3.152 -5.305 -8.367 1.00 0.00 C ATOM 834 C LYS A 52 2.141 -6.005 -7.481 1.00 0.00 C ATOM 835 O LYS A 52 1.099 -6.383 -8.000 1.00 0.00 O ATOM 836 CB LYS A 52 4.229 -6.280 -8.833 1.00 0.00 C ATOM 837 CG LYS A 52 4.774 -5.928 -10.234 1.00 0.00 C ATOM 838 CD LYS A 52 5.002 -7.190 -11.080 1.00 0.00 C ATOM 839 CE LYS A 52 5.783 -8.276 -10.325 1.00 0.00 C ATOM 840 NZ LYS A 52 5.706 -9.574 -11.010 1.00 0.00 N ATOM 0 H LYS A 52 4.710 -4.215 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 52 2.643 -4.940 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.050 -6.280 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.819 -7.290 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.072 -5.268 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.711 -5.381 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.038 -7.592 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.545 -6.922 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.826 -7.975 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.387 -8.373 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.244 -10.283 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.712 -9.872 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.107 -9.487 -11.966 1.00 0.00 H new ATOM 854 N LYS A 53 2.390 -6.190 -6.176 1.00 0.00 N ATOM 855 CA LYS A 53 1.353 -6.723 -5.300 1.00 0.00 C ATOM 856 C LYS A 53 0.104 -5.851 -5.371 1.00 0.00 C ATOM 857 O LYS A 53 -0.980 -6.411 -5.445 1.00 0.00 O ATOM 858 CB LYS A 53 1.866 -6.893 -3.860 1.00 0.00 C ATOM 859 CG LYS A 53 0.875 -7.641 -2.952 1.00 0.00 C ATOM 860 CD LYS A 53 0.814 -9.154 -3.223 1.00 0.00 C ATOM 861 CE LYS A 53 1.886 -9.911 -2.429 1.00 0.00 C ATOM 862 NZ LYS A 53 2.501 -10.992 -3.228 1.00 0.00 N ATOM 0 H LYS A 53 3.278 -5.983 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 53 1.081 -7.719 -5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.812 -7.434 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.069 -5.910 -3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.154 -7.478 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.120 -7.216 -3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.173 -9.533 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.950 -9.340 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.659 -9.214 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.441 -10.333 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.220 -11.480 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.768 -11.671 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.948 -10.586 -4.075 1.00 0.00 H new ATOM 876 N LEU A 54 0.213 -4.523 -5.359 1.00 0.00 N ATOM 877 CA LEU A 54 -0.959 -3.658 -5.411 1.00 0.00 C ATOM 878 C LEU A 54 -1.755 -3.905 -6.685 1.00 0.00 C ATOM 879 O LEU A 54 -2.969 -4.092 -6.633 1.00 0.00 O ATOM 880 CB LEU A 54 -0.491 -2.209 -5.249 1.00 0.00 C ATOM 881 CG LEU A 54 -0.500 -1.760 -3.781 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.917 -1.382 -3.343 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.047 -2.760 -2.754 1.00 0.00 C ATOM 0 H LEU A 54 1.102 -4.025 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.647 -3.881 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.516 -2.107 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.137 -1.553 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 54 0.185 -0.912 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.903 -1.066 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.284 -0.565 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.574 -2.245 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.013 -2.326 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.543 -3.676 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.087 -2.990 -2.988 1.00 0.00 H new ATOM 895 N GLU A 55 -1.076 -3.969 -7.822 1.00 0.00 N ATOM 896 CA GLU A 55 -1.737 -4.200 -9.094 1.00 0.00 C ATOM 897 C GLU A 55 -2.224 -5.654 -9.238 1.00 0.00 C ATOM 898 O GLU A 55 -3.179 -5.903 -9.981 1.00 0.00 O ATOM 899 CB GLU A 55 -0.768 -3.829 -10.213 1.00 0.00 C ATOM 900 CG GLU A 55 -0.482 -2.319 -10.257 1.00 0.00 C ATOM 901 CD GLU A 55 0.592 -1.914 -11.273 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.196 -2.791 -11.939 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.852 -0.693 -11.378 1.00 0.00 O ATOM 0 H GLU A 55 -0.064 -3.863 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.629 -3.576 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.168 -4.370 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.182 -4.147 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.407 -1.792 -10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.171 -1.990 -9.265 1.00 0.00 H new ATOM 910 N GLU A 56 -1.608 -6.628 -8.552 1.00 0.00 N ATOM 911 CA GLU A 56 -2.060 -8.020 -8.579 1.00 0.00 C ATOM 912 C GLU A 56 -3.350 -8.145 -7.778 1.00 0.00 C ATOM 913 O GLU A 56 -4.304 -8.756 -8.260 1.00 0.00 O ATOM 914 CB GLU A 56 -0.962 -9.052 -8.216 1.00 0.00 C ATOM 915 CG GLU A 56 -0.841 -9.565 -6.766 1.00 0.00 C ATOM 916 CD GLU A 56 -1.733 -10.768 -6.417 1.00 0.00 C ATOM 917 OE1 GLU A 56 -2.841 -10.944 -6.962 1.00 0.00 O ATOM 918 OE2 GLU A 56 -1.352 -11.584 -5.546 1.00 0.00 O ATOM 0 H GLU A 56 -0.787 -6.471 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.286 -8.289 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.108 -9.921 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.002 -8.614 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.198 -9.838 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.081 -8.747 -6.087 1.00 0.00 H new ATOM 925 N ILE A 57 -3.429 -7.475 -6.621 1.00 0.00 N ATOM 926 CA ILE A 57 -4.615 -7.459 -5.773 1.00 0.00 C ATOM 927 C ILE A 57 -5.706 -6.541 -6.335 1.00 0.00 C ATOM 928 O ILE A 57 -6.680 -6.256 -5.635 1.00 0.00 O ATOM 929 CB ILE A 57 -4.282 -7.170 -4.290 1.00 0.00 C ATOM 930 CG1 ILE A 57 -3.892 -5.707 -3.987 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.261 -8.165 -3.719 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.369 -5.217 -2.617 1.00 0.00 C ATOM 0 H ILE A 57 -2.657 -6.923 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.027 -8.468 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.225 -7.322 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.808 -5.610 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.309 -5.061 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.059 -7.921 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.663 -9.176 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.335 -8.105 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.059 -4.182 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.456 -5.281 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.932 -5.839 -1.836 1.00 0.00 H new ATOM 944 N ASP A 58 -5.579 -6.101 -7.589 1.00 0.00 N ATOM 945 CA ASP A 58 -6.595 -5.377 -8.349 1.00 0.00 C ATOM 946 C ASP A 58 -6.725 -3.909 -7.911 1.00 0.00 C ATOM 947 O ASP A 58 -7.720 -3.254 -8.241 1.00 0.00 O ATOM 948 CB ASP A 58 -7.944 -6.119 -8.225 1.00 0.00 C ATOM 949 CG ASP A 58 -8.851 -6.049 -9.442 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.435 -6.522 -10.526 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.032 -5.677 -9.264 1.00 0.00 O ATOM 0 H ASP A 58 -4.724 -6.248 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.285 -5.352 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.742 -7.167 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.483 -5.713 -7.369 1.00 0.00 H new ATOM 956 N TYR A 59 -5.742 -3.385 -7.161 1.00 0.00 N ATOM 957 CA TYR A 59 -5.724 -2.041 -6.583 1.00 0.00 C ATOM 958 C TYR A 59 -4.581 -1.218 -7.222 1.00 0.00 C ATOM 959 O TYR A 59 -3.549 -0.992 -6.584 1.00 0.00 O ATOM 960 CB TYR A 59 -5.563 -2.100 -5.049 1.00 0.00 C ATOM 961 CG TYR A 59 -6.785 -2.422 -4.202 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.677 -3.457 -4.537 1.00 0.00 C ATOM 963 CD2 TYR A 59 -7.016 -1.676 -3.032 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.797 -3.741 -3.738 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.114 -1.975 -2.213 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.021 -2.988 -2.571 1.00 0.00 C ATOM 967 OH TYR A 59 -10.088 -3.225 -1.766 1.00 0.00 O ATOM 0 H TYR A 59 -4.901 -3.916 -6.933 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.676 -1.555 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.799 -2.844 -4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.176 -1.136 -4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.497 -4.044 -5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.347 -0.872 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.480 -4.530 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.265 -1.422 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.833 -3.567 -2.303 1.00 0.00 H new ATOM 977 N PRO A 60 -4.723 -0.758 -8.475 1.00 0.00 N ATOM 978 CA PRO A 60 -3.712 0.028 -9.167 1.00 0.00 C ATOM 979 C PRO A 60 -3.520 1.388 -8.482 1.00 0.00 C ATOM 980 O PRO A 60 -4.449 2.198 -8.378 1.00 0.00 O ATOM 981 CB PRO A 60 -4.216 0.142 -10.610 1.00 0.00 C ATOM 982 CG PRO A 60 -5.731 0.020 -10.479 1.00 0.00 C ATOM 983 CD PRO A 60 -5.855 -0.990 -9.348 1.00 0.00 C ATOM 0 HA PRO A 60 -2.725 -0.434 -9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.929 1.092 -11.060 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.805 -0.646 -11.241 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.200 0.973 -10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.195 -0.335 -11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.794 -0.860 -8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.847 -2.009 -9.734 1.00 0.00 H new ATOM 991 N VAL A 61 -2.307 1.646 -7.998 1.00 0.00 N ATOM 992 CA VAL A 61 -1.914 2.920 -7.405 1.00 0.00 C ATOM 993 C VAL A 61 -1.960 4.024 -8.487 1.00 0.00 C ATOM 994 O VAL A 61 -1.781 3.737 -9.675 1.00 0.00 O ATOM 995 CB VAL A 61 -0.523 2.726 -6.752 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.563 2.380 -7.761 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.085 3.916 -5.897 1.00 0.00 C ATOM 0 H VAL A 61 -1.554 0.959 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.599 3.245 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.652 1.871 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.514 2.256 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.304 1.452 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.650 3.184 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.897 3.715 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.034 4.811 -6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.805 4.072 -5.094 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.183 5.284 -8.109 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.025 6.442 -8.990 1.00 0.00 C ATOM 1009 C GLU A 62 -0.525 6.780 -9.097 1.00 0.00 C ATOM 1010 O GLU A 62 0.073 6.626 -10.160 1.00 0.00 O ATOM 1011 CB GLU A 62 -2.896 7.612 -8.485 1.00 0.00 C ATOM 1012 CG GLU A 62 -2.862 8.816 -9.445 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.013 9.822 -9.269 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.208 9.478 -9.420 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.758 11.030 -9.086 1.00 0.00 O ATOM 0 H GLU A 62 -2.483 5.532 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.378 6.224 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.925 7.272 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.548 7.924 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.917 9.342 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.878 8.445 -10.470 1.00 0.00 H new ATOM 1022 N SER A 63 0.111 7.177 -7.989 1.00 0.00 N ATOM 1023 CA SER A 63 1.555 7.389 -7.865 1.00 0.00 C ATOM 1024 C SER A 63 1.986 7.148 -6.412 1.00 0.00 C ATOM 1025 O SER A 63 1.158 6.827 -5.555 1.00 0.00 O ATOM 1026 CB SER A 63 1.923 8.812 -8.312 1.00 0.00 C ATOM 1027 OG SER A 63 2.038 8.897 -9.716 1.00 0.00 O ATOM 0 H SER A 63 -0.388 7.367 -7.120 1.00 0.00 H new ATOM 0 HA SER A 63 2.080 6.684 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.163 9.512 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.865 9.108 -7.850 1.00 0.00 H new ATOM 0 HG SER A 63 1.452 8.232 -10.133 1.00 0.00 H new ATOM 1033 N TYR A 64 3.278 7.299 -6.123 1.00 0.00 N ATOM 1034 CA TYR A 64 3.856 7.238 -4.787 1.00 0.00 C ATOM 1035 C TYR A 64 4.888 8.356 -4.631 1.00 0.00 C ATOM 1036 O TYR A 64 5.277 8.977 -5.624 1.00 0.00 O ATOM 1037 CB TYR A 64 4.491 5.860 -4.571 1.00 0.00 C ATOM 1038 CG TYR A 64 5.513 5.434 -5.611 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.846 5.874 -5.533 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.134 4.555 -6.642 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.803 5.388 -6.440 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.094 4.030 -7.527 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.445 4.426 -7.408 1.00 0.00 C ATOM 1044 OH TYR A 64 8.409 3.876 -8.196 1.00 0.00 O ATOM 0 H TYR A 64 3.977 7.474 -6.845 1.00 0.00 H new ATOM 0 HA TYR A 64 3.082 7.379 -4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.971 5.851 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.696 5.115 -4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.135 6.587 -4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.096 4.280 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.818 5.753 -6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.800 3.328 -8.293 1.00 0.00 H new ATOM 0 HH TYR A 64 8.001 3.230 -8.810 1.00 0.00 H new ATOM 1054 N GLN A 65 5.360 8.590 -3.404 1.00 0.00 N ATOM 1055 CA GLN A 65 6.431 9.516 -3.103 1.00 0.00 C ATOM 1056 C GLN A 65 7.208 8.939 -1.924 1.00 0.00 C ATOM 1057 O GLN A 65 6.652 8.206 -1.101 1.00 0.00 O ATOM 1058 CB GLN A 65 5.850 10.915 -2.806 1.00 0.00 C ATOM 1059 CG GLN A 65 4.973 10.942 -1.558 1.00 0.00 C ATOM 1060 CD GLN A 65 3.960 12.079 -1.517 1.00 0.00 C ATOM 1061 OE1 GLN A 65 2.868 11.957 -2.063 1.00 0.00 O ATOM 1062 NE2 GLN A 65 4.256 13.168 -0.831 1.00 0.00 N ATOM 0 H GLN A 65 4.991 8.123 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 65 7.108 9.641 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.669 11.624 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.264 11.249 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.439 9.995 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.615 11.014 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.168 13.256 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.573 13.921 -0.750 1.00 0.00 H new ATOM 1071 N GLU A 66 8.483 9.273 -1.844 1.00 0.00 N ATOM 1072 CA GLU A 66 9.367 8.951 -0.735 1.00 0.00 C ATOM 1073 C GLU A 66 8.896 9.706 0.511 1.00 0.00 C ATOM 1074 O GLU A 66 8.451 10.854 0.392 1.00 0.00 O ATOM 1075 CB GLU A 66 10.793 9.368 -1.138 1.00 0.00 C ATOM 1076 CG GLU A 66 11.808 8.297 -0.749 1.00 0.00 C ATOM 1077 CD GLU A 66 13.180 8.612 -1.346 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.972 9.361 -0.723 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.446 8.166 -2.481 1.00 0.00 O ATOM 0 H GLU A 66 8.952 9.799 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 66 9.355 7.885 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.835 9.540 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.050 10.310 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.883 8.237 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.468 7.322 -1.099 1.00 0.00 H new ATOM 1086 N VAL A 67 8.997 9.111 1.702 1.00 0.00 N ATOM 1087 CA VAL A 67 8.722 9.786 2.968 1.00 0.00 C ATOM 1088 C VAL A 67 9.695 9.238 4.005 1.00 0.00 C ATOM 1089 O VAL A 67 9.692 9.676 5.175 1.00 0.00 O ATOM 1090 CB VAL A 67 7.206 9.709 3.279 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.658 8.315 3.600 1.00 0.00 C ATOM 1092 CG2 VAL A 67 6.791 10.682 4.385 1.00 0.00 C ATOM 0 H VAL A 67 9.275 8.136 1.813 1.00 0.00 H new ATOM 0 HA VAL A 67 8.909 10.860 2.950 1.00 0.00 H new ATOM 0 HB VAL A 67 6.753 10.000 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.589 8.382 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.827 7.653 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.168 7.917 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.720 10.591 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.336 10.447 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.021 11.702 4.077 1.00 0.00 H new TER 1102 VAL A 67