USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1001 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 84 THR OG1 : rot 180:sc=-0.00317 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0.00156 USER MOD Set 2.1: A 56 ASN : amide:sc= 0 X(o=-0.024,f=-0.37) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.0239 K(o=-0.024,f=-0.59) USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.143 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 38:sc= 0.283 USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.763) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 162:sc= 0.853 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -3.16 K(o=-3.2,f=-10!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.126) USER MOD Single : A 34 THR OG1 : rot 180:sc=-5.44e-05 USER MOD Single : A 35 THR OG1 : rot 81:sc= 0.358 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -120:sc= 0.927 USER MOD Single : A 42 HIS : no HD1:sc= -0.537 K(o=-0.54,f=-3.5!) USER MOD Single : A 44 TYR OH : rot 50:sc= -0.629 USER MOD Single : A 49 HIS : no HD1:sc=-0.000903 X(o=-0.0009,f=-0.0009) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.0613 (180deg=-0.368) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -93:sc= 0.35 USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= 0.579 (180deg=0.116) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0272) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00823 X(o=-0.0082,f=-0.036) USER MOD Single : A 87 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 106:sc= 1.12 USER MOD Single : A 98 TYR OH : rot -172:sc= -0.393 USER MOD Single : A 100 ASN : amide:sc= -2.45! C(o=-2.4!,f=-3.5!) USER MOD Single : A 101 SER OG : rot -47:sc= 0.842 USER MOD Single : A 107 TYR OH : rot -140:sc= -0.308 USER MOD Single : A 111 MET CE :methyl 141:sc= -1.63 (180deg=-2.64) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 113 HIS : no HD1:sc= -5.94 K(o=-5.1,f=-14!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0.89 (180deg=0.491) USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= -0.0753 (180deg=-0.413) USER MOD Single : A 119 ASN : amide:sc= -0.571 X(o=-0.57,f=-1) USER MOD Single : A 120 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.5) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 154:sc= -0.0128 (180deg=-0.35) USER MOD Single : A 128 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.539 10.866 4.390 1.00 0.00 N ATOM 2 CA ALA A 1 -13.715 11.225 2.954 1.00 0.00 C ATOM 3 C ALA A 1 -13.198 10.083 2.063 1.00 0.00 C ATOM 4 O ALA A 1 -12.441 9.268 2.575 1.00 0.00 O ATOM 5 CB ALA A 1 -13.018 12.563 2.632 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.098 11.661 4.895 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.467 10.659 4.812 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.929 10.027 4.466 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.777 11.361 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.161 12.803 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.448 13.354 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.952 12.478 2.844 1.00 0.00 H new ATOM 13 N PRO A 2 -13.605 9.980 0.777 1.00 0.00 N ATOM 14 CA PRO A 2 -13.084 8.982 -0.169 1.00 0.00 C ATOM 15 C PRO A 2 -11.648 9.255 -0.679 1.00 0.00 C ATOM 16 O PRO A 2 -11.134 8.508 -1.509 1.00 0.00 O ATOM 17 CB PRO A 2 -14.117 8.908 -1.308 1.00 0.00 C ATOM 18 CG PRO A 2 -14.690 10.323 -1.329 1.00 0.00 C ATOM 19 CD PRO A 2 -14.697 10.718 0.152 1.00 0.00 C ATOM 0 HA PRO A 2 -12.968 8.024 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.654 8.644 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.886 8.162 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.074 10.998 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.692 10.346 -1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.557 11.793 0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.651 10.469 0.617 1.00 0.00 H new ATOM 27 N ILE A 3 -11.003 10.310 -0.174 1.00 0.00 N ATOM 28 CA ILE A 3 -9.659 10.789 -0.487 1.00 0.00 C ATOM 29 C ILE A 3 -8.931 11.050 0.844 1.00 0.00 C ATOM 30 O ILE A 3 -9.183 12.052 1.514 1.00 0.00 O ATOM 31 CB ILE A 3 -9.753 11.999 -1.448 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.348 12.341 -1.989 1.00 0.00 C ATOM 33 CG2 ILE A 3 -10.484 13.240 -0.870 1.00 0.00 C ATOM 34 CD1 ILE A 3 -7.850 11.353 -3.062 1.00 0.00 C ATOM 0 H ILE A 3 -11.450 10.901 0.526 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.061 10.055 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.395 11.691 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.363 13.346 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.640 12.353 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.499 14.034 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.507 12.970 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.961 13.589 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.857 11.652 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.803 10.350 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.537 11.358 -3.908 1.00 0.00 H new ATOM 46 N VAL A 4 -8.148 10.060 1.273 1.00 0.00 N ATOM 47 CA VAL A 4 -7.261 10.105 2.449 1.00 0.00 C ATOM 48 C VAL A 4 -5.917 10.753 2.057 1.00 0.00 C ATOM 49 O VAL A 4 -5.653 10.970 0.862 1.00 0.00 O ATOM 50 CB VAL A 4 -7.083 8.693 3.064 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.411 8.097 3.574 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.357 7.693 2.159 1.00 0.00 C ATOM 0 H VAL A 4 -8.109 9.161 0.792 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.715 10.722 3.224 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.429 8.860 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.228 7.108 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.830 8.746 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.115 8.015 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.277 6.733 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.918 7.567 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.359 8.067 1.931 1.00 0.00 H new ATOM 62 N THR A 5 -5.055 11.085 3.025 1.00 0.00 N ATOM 63 CA THR A 5 -3.725 11.668 2.743 1.00 0.00 C ATOM 64 C THR A 5 -2.649 11.223 3.717 1.00 0.00 C ATOM 65 O THR A 5 -2.639 11.630 4.881 1.00 0.00 O ATOM 66 CB THR A 5 -3.650 13.207 2.625 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.048 13.885 3.800 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.368 13.724 1.375 1.00 0.00 C ATOM 0 H THR A 5 -5.251 10.961 4.018 1.00 0.00 H new ATOM 0 HA THR A 5 -3.539 11.262 1.749 1.00 0.00 H new ATOM 0 HB THR A 5 -2.593 13.444 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.732 13.391 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.289 14.810 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.907 13.293 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.419 13.437 1.414 1.00 0.00 H new ATOM 76 N CYS A 6 -1.685 10.456 3.187 1.00 0.00 N ATOM 77 CA CYS A 6 -0.609 9.926 4.017 1.00 0.00 C ATOM 78 C CYS A 6 0.226 11.083 4.627 1.00 0.00 C ATOM 79 O CYS A 6 0.192 12.202 4.108 1.00 0.00 O ATOM 80 CB CYS A 6 0.291 8.973 3.207 1.00 0.00 C ATOM 81 SG CYS A 6 -0.458 7.774 2.054 1.00 0.00 S ATOM 0 H CYS A 6 -1.633 10.195 2.202 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.056 9.356 4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.981 9.590 2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.889 8.407 3.921 1.00 0.00 H new ATOM 86 N ARG A 7 1.072 10.799 5.632 1.00 0.00 N ATOM 87 CA ARG A 7 1.966 11.768 6.317 1.00 0.00 C ATOM 88 C ARG A 7 3.491 11.591 6.108 1.00 0.00 C ATOM 89 O ARG A 7 4.250 11.921 7.019 1.00 0.00 O ATOM 90 CB ARG A 7 1.544 11.844 7.790 1.00 0.00 C ATOM 91 CG ARG A 7 1.740 10.537 8.588 1.00 0.00 C ATOM 92 CD ARG A 7 1.232 10.661 10.035 1.00 0.00 C ATOM 93 NE ARG A 7 -0.213 11.001 10.088 1.00 0.00 N ATOM 94 CZ ARG A 7 -0.775 12.199 10.082 1.00 0.00 C ATOM 95 NH1 ARG A 7 -0.073 13.304 10.134 1.00 0.00 N ATOM 96 NH2 ARG A 7 -2.075 12.288 9.977 1.00 0.00 N ATOM 0 H ARG A 7 1.161 9.855 6.009 1.00 0.00 H new ATOM 0 HA ARG A 7 1.822 12.731 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.111 12.638 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.493 12.128 7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.213 9.725 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.798 10.273 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.403 9.722 10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.805 11.428 10.556 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.854 10.209 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.945 13.260 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.544 14.208 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.640 11.442 9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.525 13.204 9.971 1.00 0.00 H new ATOM 110 N PRO A 8 3.956 11.156 4.912 1.00 0.00 N ATOM 111 CA PRO A 8 5.361 10.915 4.631 1.00 0.00 C ATOM 112 C PRO A 8 6.173 12.205 4.715 1.00 0.00 C ATOM 113 O PRO A 8 5.657 13.324 4.792 1.00 0.00 O ATOM 114 CB PRO A 8 5.391 10.336 3.210 1.00 0.00 C ATOM 115 CG PRO A 8 4.258 11.072 2.528 1.00 0.00 C ATOM 116 CD PRO A 8 3.228 11.077 3.657 1.00 0.00 C ATOM 0 HA PRO A 8 5.807 10.236 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.347 10.518 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.232 9.258 3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.541 12.078 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.899 10.553 1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.550 11.924 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.618 10.174 3.624 1.00 0.00 H new ATOM 124 N LYS A 9 7.486 12.040 4.626 1.00 0.00 N ATOM 125 CA LYS A 9 8.460 13.114 4.679 1.00 0.00 C ATOM 126 C LYS A 9 9.076 13.278 3.295 1.00 0.00 C ATOM 127 O LYS A 9 9.321 12.312 2.571 1.00 0.00 O ATOM 128 CB LYS A 9 9.441 12.788 5.815 1.00 0.00 C ATOM 129 CG LYS A 9 10.577 13.804 5.959 1.00 0.00 C ATOM 130 CD LYS A 9 11.722 13.274 6.835 1.00 0.00 C ATOM 131 CE LYS A 9 11.376 13.316 8.333 1.00 0.00 C ATOM 132 NZ LYS A 9 10.619 12.113 8.792 1.00 0.00 N ATOM 0 H LYS A 9 7.914 11.121 4.511 1.00 0.00 H new ATOM 0 HA LYS A 9 8.032 14.088 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.891 12.736 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.869 11.801 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.964 14.056 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.186 14.724 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.953 12.249 6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.619 13.866 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.297 13.401 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.787 14.210 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.727 12.412 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.413 11.501 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.190 11.587 9.484 1.00 0.00 H new ATOM 146 N LEU A 10 9.325 14.534 2.950 1.00 0.00 N ATOM 147 CA LEU A 10 10.150 14.898 1.803 1.00 0.00 C ATOM 148 C LEU A 10 11.548 15.279 2.333 1.00 0.00 C ATOM 149 O LEU A 10 12.364 14.408 2.656 1.00 0.00 O ATOM 150 CB LEU A 10 9.377 15.915 0.917 1.00 0.00 C ATOM 151 CG LEU A 10 9.836 16.071 -0.560 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.332 15.863 -0.829 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.972 15.240 -1.528 1.00 0.00 C ATOM 0 H LEU A 10 8.958 15.336 3.462 1.00 0.00 H new ATOM 0 HA LEU A 10 10.345 14.085 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.325 15.628 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.439 16.893 1.394 1.00 0.00 H new ATOM 0 HG LEU A 10 9.673 17.130 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.533 15.997 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.909 16.589 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.619 14.855 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.330 15.381 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.040 14.185 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.934 15.565 -1.460 1.00 0.00 H new ATOM 165 N ASP A 11 11.726 16.580 2.585 1.00 0.00 N ATOM 166 CA ASP A 11 12.980 17.280 2.900 1.00 0.00 C ATOM 167 C ASP A 11 12.990 17.700 4.395 1.00 0.00 C ATOM 168 O ASP A 11 13.099 18.861 4.794 1.00 0.00 O ATOM 169 CB ASP A 11 13.119 18.450 1.914 1.00 0.00 C ATOM 170 CG ASP A 11 14.592 18.771 1.687 1.00 0.00 C ATOM 171 OD1 ASP A 11 15.146 19.524 2.512 1.00 0.00 O ATOM 172 OD2 ASP A 11 15.140 18.222 0.708 1.00 0.00 O ATOM 0 H ASP A 11 10.935 17.224 2.574 1.00 0.00 H new ATOM 0 HA ASP A 11 13.853 16.638 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.644 18.196 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.603 19.328 2.304 1.00 0.00 H new ATOM 177 N GLY A 12 12.631 16.735 5.248 1.00 0.00 N ATOM 178 CA GLY A 12 12.491 16.916 6.706 1.00 0.00 C ATOM 179 C GLY A 12 11.098 17.370 7.173 1.00 0.00 C ATOM 180 O GLY A 12 10.716 17.063 8.300 1.00 0.00 O ATOM 0 H GLY A 12 12.424 15.784 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.734 15.975 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.226 17.649 7.038 1.00 0.00 H new ATOM 184 N ARG A 13 10.316 18.065 6.328 1.00 0.00 N ATOM 185 CA ARG A 13 8.893 18.403 6.592 1.00 0.00 C ATOM 186 C ARG A 13 7.948 17.260 6.181 1.00 0.00 C ATOM 187 O ARG A 13 8.252 16.486 5.273 1.00 0.00 O ATOM 188 CB ARG A 13 8.487 19.717 5.885 1.00 0.00 C ATOM 189 CG ARG A 13 7.604 20.643 6.750 1.00 0.00 C ATOM 190 CD ARG A 13 8.380 21.355 7.879 1.00 0.00 C ATOM 191 NE ARG A 13 9.351 22.351 7.359 1.00 0.00 N ATOM 192 CZ ARG A 13 10.258 23.036 8.040 1.00 0.00 C ATOM 193 NH1 ARG A 13 10.386 22.911 9.329 1.00 0.00 N ATOM 194 NH2 ARG A 13 11.069 23.867 7.445 1.00 0.00 N ATOM 0 H ARG A 13 10.652 18.415 5.431 1.00 0.00 H new ATOM 0 HA ARG A 13 8.797 18.547 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.389 20.257 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.952 19.474 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.141 21.393 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.797 20.056 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.674 21.853 8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.910 20.613 8.476 1.00 0.00 H new ATOM 0 HE ARG A 13 9.315 22.530 6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.779 22.272 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.094 23.452 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.012 24.000 6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.759 24.384 7.990 1.00 0.00 H new ATOM 208 N GLU A 14 6.770 17.243 6.802 1.00 0.00 N ATOM 209 CA GLU A 14 5.640 16.357 6.491 1.00 0.00 C ATOM 210 C GLU A 14 4.991 16.824 5.175 1.00 0.00 C ATOM 211 O GLU A 14 4.716 18.021 4.990 1.00 0.00 O ATOM 212 CB GLU A 14 4.621 16.351 7.652 1.00 0.00 C ATOM 213 CG GLU A 14 5.236 15.756 8.928 1.00 0.00 C ATOM 214 CD GLU A 14 4.237 15.807 10.092 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.183 15.126 10.006 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.529 16.581 11.032 1.00 0.00 O ATOM 0 H GLU A 14 6.563 17.876 7.574 1.00 0.00 H new ATOM 0 HA GLU A 14 5.994 15.333 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.283 17.369 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.742 15.773 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.535 14.724 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.138 16.307 9.193 1.00 0.00 H new ATOM 223 N LYS A 15 4.774 15.899 4.233 1.00 0.00 N ATOM 224 CA LYS A 15 4.179 16.172 2.916 1.00 0.00 C ATOM 225 C LYS A 15 2.935 15.292 2.691 1.00 0.00 C ATOM 226 O LYS A 15 3.086 14.079 2.627 1.00 0.00 O ATOM 227 CB LYS A 15 5.229 15.976 1.799 1.00 0.00 C ATOM 228 CG LYS A 15 4.913 16.861 0.580 1.00 0.00 C ATOM 229 CD LYS A 15 5.443 18.307 0.689 1.00 0.00 C ATOM 230 CE LYS A 15 4.549 19.262 1.501 1.00 0.00 C ATOM 231 NZ LYS A 15 4.897 20.682 1.232 1.00 0.00 N ATOM 0 H LYS A 15 5.012 14.916 4.367 1.00 0.00 H new ATOM 0 HA LYS A 15 3.854 17.212 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.221 16.219 2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.251 14.929 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.337 16.397 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.833 16.892 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.433 18.283 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.564 18.711 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.503 19.087 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.661 19.053 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.279 21.303 1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.889 20.852 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.767 20.886 0.220 1.00 0.00 H new ATOM 245 N PRO A 16 1.714 15.843 2.538 1.00 0.00 N ATOM 246 CA PRO A 16 0.523 15.008 2.378 1.00 0.00 C ATOM 247 C PRO A 16 0.604 14.167 1.090 1.00 0.00 C ATOM 248 O PRO A 16 0.820 14.733 0.014 1.00 0.00 O ATOM 249 CB PRO A 16 -0.667 15.977 2.374 1.00 0.00 C ATOM 250 CG PRO A 16 -0.054 17.295 1.893 1.00 0.00 C ATOM 251 CD PRO A 16 1.368 17.253 2.461 1.00 0.00 C ATOM 0 HA PRO A 16 0.422 14.282 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.460 15.636 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.106 16.077 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.050 17.363 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.610 18.156 2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.063 17.793 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.412 17.722 3.444 1.00 0.00 H new ATOM 259 N PHE A 17 0.392 12.843 1.157 1.00 0.00 N ATOM 260 CA PHE A 17 0.347 11.977 -0.037 1.00 0.00 C ATOM 261 C PHE A 17 -1.101 11.596 -0.396 1.00 0.00 C ATOM 262 O PHE A 17 -1.724 10.796 0.294 1.00 0.00 O ATOM 263 CB PHE A 17 1.237 10.727 0.140 1.00 0.00 C ATOM 264 CG PHE A 17 2.101 10.311 -1.046 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.795 10.689 -2.369 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.228 9.501 -0.817 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.668 10.367 -3.423 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.115 9.187 -1.860 1.00 0.00 C ATOM 269 CZ PHE A 17 3.846 9.638 -3.166 1.00 0.00 C ATOM 0 H PHE A 17 0.247 12.343 2.034 1.00 0.00 H new ATOM 0 HA PHE A 17 0.751 12.546 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.894 10.899 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.592 9.887 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.883 11.230 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.414 9.115 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.435 10.679 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.000 8.602 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.539 9.426 -3.967 1.00 0.00 H new ATOM 279 N LYS A 18 -1.656 12.166 -1.472 1.00 0.00 N ATOM 280 CA LYS A 18 -2.988 11.837 -2.008 1.00 0.00 C ATOM 281 C LYS A 18 -3.143 10.368 -2.315 1.00 0.00 C ATOM 282 O LYS A 18 -2.357 9.792 -3.058 1.00 0.00 O ATOM 283 CB LYS A 18 -3.257 12.637 -3.300 1.00 0.00 C ATOM 284 CG LYS A 18 -2.911 14.134 -3.256 1.00 0.00 C ATOM 285 CD LYS A 18 -3.300 14.778 -4.598 1.00 0.00 C ATOM 286 CE LYS A 18 -2.723 16.191 -4.765 1.00 0.00 C ATOM 287 NZ LYS A 18 -3.519 17.219 -4.047 1.00 0.00 N ATOM 0 H LYS A 18 -1.180 12.889 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.707 12.103 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.691 12.178 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.313 12.537 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.443 14.619 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.846 14.269 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.949 14.147 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.386 14.822 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.697 16.207 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.684 16.441 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.088 18.155 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.491 17.225 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.535 16.998 -3.031 1.00 0.00 H new ATOM 301 N VAL A 19 -4.215 9.827 -1.755 1.00 0.00 N ATOM 302 CA VAL A 19 -4.644 8.452 -1.845 1.00 0.00 C ATOM 303 C VAL A 19 -6.179 8.420 -1.854 1.00 0.00 C ATOM 304 O VAL A 19 -6.868 8.958 -0.991 1.00 0.00 O ATOM 305 CB VAL A 19 -4.009 7.698 -0.668 1.00 0.00 C ATOM 306 CG1 VAL A 19 -4.724 6.393 -0.416 1.00 0.00 C ATOM 307 CG2 VAL A 19 -2.555 7.298 -0.923 1.00 0.00 C ATOM 0 H VAL A 19 -4.850 10.385 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.322 7.960 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.078 8.392 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.256 5.877 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.770 6.591 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.663 5.767 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.165 6.769 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.504 6.647 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.958 8.192 -1.102 1.00 0.00 H new ATOM 317 N ASP A 20 -6.726 7.773 -2.866 1.00 0.00 N ATOM 318 CA ASP A 20 -8.124 7.439 -3.070 1.00 0.00 C ATOM 319 C ASP A 20 -8.486 6.085 -2.441 1.00 0.00 C ATOM 320 O ASP A 20 -7.987 5.026 -2.828 1.00 0.00 O ATOM 321 CB ASP A 20 -8.446 7.510 -4.572 1.00 0.00 C ATOM 322 CG ASP A 20 -7.390 7.050 -5.599 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.274 6.601 -5.239 1.00 0.00 O ATOM 324 OD2 ASP A 20 -7.748 7.155 -6.790 1.00 0.00 O ATOM 0 H ASP A 20 -6.150 7.437 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.749 8.169 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.346 6.918 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.697 8.545 -4.803 1.00 0.00 H new ATOM 329 N VAL A 21 -9.409 6.115 -1.465 1.00 0.00 N ATOM 330 CA VAL A 21 -9.933 4.887 -0.832 1.00 0.00 C ATOM 331 C VAL A 21 -10.552 3.940 -1.843 1.00 0.00 C ATOM 332 O VAL A 21 -10.354 2.730 -1.752 1.00 0.00 O ATOM 333 CB VAL A 21 -10.957 5.144 0.289 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.356 5.616 -0.134 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.244 3.844 1.043 1.00 0.00 C ATOM 0 H VAL A 21 -9.810 6.977 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.052 4.429 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.473 5.936 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.975 5.759 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.274 6.559 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.813 4.866 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.969 4.035 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.647 3.104 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.320 3.466 1.481 1.00 0.00 H new ATOM 345 N ALA A 22 -11.322 4.504 -2.780 1.00 0.00 N ATOM 346 CA ALA A 22 -12.016 3.758 -3.820 1.00 0.00 C ATOM 347 C ALA A 22 -11.018 2.875 -4.577 1.00 0.00 C ATOM 348 O ALA A 22 -11.209 1.666 -4.604 1.00 0.00 O ATOM 349 CB ALA A 22 -12.825 4.718 -4.714 1.00 0.00 C ATOM 0 H ALA A 22 -11.479 5.510 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.748 3.079 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.339 4.148 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.558 5.250 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.151 5.436 -5.180 1.00 0.00 H new ATOM 355 N THR A 23 -9.931 3.448 -5.095 1.00 0.00 N ATOM 356 CA THR A 23 -8.885 2.740 -5.842 1.00 0.00 C ATOM 357 C THR A 23 -8.185 1.726 -4.954 1.00 0.00 C ATOM 358 O THR A 23 -8.227 0.534 -5.255 1.00 0.00 O ATOM 359 CB THR A 23 -7.882 3.760 -6.406 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.555 4.721 -7.186 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.695 3.097 -7.136 1.00 0.00 C ATOM 0 H THR A 23 -9.747 4.447 -5.005 1.00 0.00 H new ATOM 0 HA THR A 23 -9.341 2.196 -6.669 1.00 0.00 H new ATOM 0 HB THR A 23 -7.423 4.283 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.982 5.508 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.022 3.868 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.156 2.451 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.067 2.503 -7.970 1.00 0.00 H new ATOM 369 N ALA A 24 -7.592 2.177 -3.843 1.00 0.00 N ATOM 370 CA ALA A 24 -6.914 1.308 -2.892 1.00 0.00 C ATOM 371 C ALA A 24 -7.743 0.052 -2.572 1.00 0.00 C ATOM 372 O ALA A 24 -7.340 -1.076 -2.856 1.00 0.00 O ATOM 373 CB ALA A 24 -6.614 2.130 -1.638 1.00 0.00 C ATOM 0 H ALA A 24 -7.572 3.163 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.983 0.941 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.105 1.504 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.976 2.974 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.547 2.499 -1.213 1.00 0.00 H new ATOM 379 N GLN A 25 -8.941 0.248 -2.027 1.00 0.00 N ATOM 380 CA GLN A 25 -9.873 -0.848 -1.759 1.00 0.00 C ATOM 381 C GLN A 25 -10.214 -1.651 -3.037 1.00 0.00 C ATOM 382 O GLN A 25 -10.137 -2.881 -2.992 1.00 0.00 O ATOM 383 CB GLN A 25 -11.131 -0.317 -1.052 1.00 0.00 C ATOM 384 CG GLN A 25 -12.116 -1.451 -0.709 1.00 0.00 C ATOM 385 CD GLN A 25 -13.439 -0.932 -0.170 1.00 0.00 C ATOM 386 OE1 GLN A 25 -14.480 -1.108 -0.778 1.00 0.00 O ATOM 387 NE2 GLN A 25 -13.492 -0.317 0.989 1.00 0.00 N ATOM 0 H GLN A 25 -9.294 1.167 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.382 -1.552 -1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.842 0.203 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.626 0.414 -1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.301 -2.049 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.661 -2.112 0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.636 -0.156 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.389 -0.001 1.358 1.00 0.00 H new ATOM 396 N ALA A 26 -10.615 -1.011 -4.145 1.00 0.00 N ATOM 397 CA ALA A 26 -11.072 -1.665 -5.383 1.00 0.00 C ATOM 398 C ALA A 26 -10.022 -2.629 -5.926 1.00 0.00 C ATOM 399 O ALA A 26 -10.265 -3.836 -6.040 1.00 0.00 O ATOM 400 CB ALA A 26 -11.434 -0.629 -6.467 1.00 0.00 C ATOM 0 H ALA A 26 -10.631 0.007 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.967 -2.232 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.767 -1.146 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.233 0.016 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.558 -0.024 -6.699 1.00 0.00 H new ATOM 406 N GLN A 27 -8.842 -2.087 -6.224 1.00 0.00 N ATOM 407 CA GLN A 27 -7.679 -2.833 -6.672 1.00 0.00 C ATOM 408 C GLN A 27 -7.331 -3.966 -5.672 1.00 0.00 C ATOM 409 O GLN A 27 -7.116 -5.090 -6.124 1.00 0.00 O ATOM 410 CB GLN A 27 -6.544 -1.840 -6.997 1.00 0.00 C ATOM 411 CG GLN A 27 -5.613 -1.521 -5.831 1.00 0.00 C ATOM 412 CD GLN A 27 -4.478 -2.531 -5.592 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.607 -2.297 -4.787 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.396 -3.700 -6.192 1.00 0.00 N ATOM 0 H GLN A 27 -8.669 -1.084 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.879 -3.367 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.950 -2.246 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.986 -0.910 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.172 -0.539 -6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.210 -1.450 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.096 -3.968 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.633 -4.337 -5.965 1.00 0.00 H new ATOM 423 N ALA A 28 -7.364 -3.742 -4.343 1.00 0.00 N ATOM 424 CA ALA A 28 -7.082 -4.780 -3.337 1.00 0.00 C ATOM 425 C ALA A 28 -7.989 -6.005 -3.512 1.00 0.00 C ATOM 426 O ALA A 28 -7.540 -7.151 -3.594 1.00 0.00 O ATOM 427 CB ALA A 28 -7.271 -4.231 -1.904 1.00 0.00 C ATOM 0 H ALA A 28 -7.588 -2.833 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.045 -5.080 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.056 -5.018 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.591 -3.395 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.299 -3.892 -1.777 1.00 0.00 H new ATOM 433 N ARG A 29 -9.302 -5.752 -3.574 1.00 0.00 N ATOM 434 CA ARG A 29 -10.322 -6.777 -3.842 1.00 0.00 C ATOM 435 C ARG A 29 -10.063 -7.468 -5.187 1.00 0.00 C ATOM 436 O ARG A 29 -10.255 -8.675 -5.295 1.00 0.00 O ATOM 437 CB ARG A 29 -11.728 -6.141 -3.836 1.00 0.00 C ATOM 438 CG ARG A 29 -12.134 -5.413 -2.544 1.00 0.00 C ATOM 439 CD ARG A 29 -12.438 -6.404 -1.428 1.00 0.00 C ATOM 440 NE ARG A 29 -13.223 -5.774 -0.343 1.00 0.00 N ATOM 441 CZ ARG A 29 -14.538 -5.618 -0.325 1.00 0.00 C ATOM 442 NH1 ARG A 29 -15.296 -6.071 -1.282 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.133 -4.976 0.634 1.00 0.00 N ATOM 0 H ARG A 29 -9.692 -4.819 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.266 -7.528 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.788 -5.433 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.460 -6.924 -4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.332 -4.744 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.010 -4.793 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.990 -7.252 -1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.505 -6.796 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.704 -5.429 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.880 -6.561 -2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.306 -5.935 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.586 -4.578 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.147 -4.870 0.624 1.00 0.00 H new ATOM 457 N LYS A 30 -9.644 -6.706 -6.209 1.00 0.00 N ATOM 458 CA LYS A 30 -9.338 -7.200 -7.565 1.00 0.00 C ATOM 459 C LYS A 30 -8.107 -8.114 -7.643 1.00 0.00 C ATOM 460 O LYS A 30 -8.126 -9.052 -8.452 1.00 0.00 O ATOM 461 CB LYS A 30 -9.148 -6.009 -8.531 1.00 0.00 C ATOM 462 CG LYS A 30 -9.131 -6.443 -10.005 1.00 0.00 C ATOM 463 CD LYS A 30 -10.540 -6.843 -10.477 1.00 0.00 C ATOM 464 CE LYS A 30 -10.536 -7.451 -11.876 1.00 0.00 C ATOM 465 NZ LYS A 30 -9.946 -8.804 -11.817 1.00 0.00 N ATOM 0 H LYS A 30 -9.504 -5.700 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.194 -7.809 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.952 -5.289 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.214 -5.499 -8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.754 -5.629 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.448 -7.283 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.966 -7.559 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.186 -5.965 -10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.552 -7.501 -12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.964 -6.821 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.138 -9.305 -12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.918 -8.729 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.366 -9.332 -11.025 1.00 0.00 H new ATOM 479 N ALA A 31 -7.057 -7.808 -6.881 1.00 0.00 N ATOM 480 CA ALA A 31 -5.867 -8.631 -6.668 1.00 0.00 C ATOM 481 C ALA A 31 -6.185 -9.897 -5.845 1.00 0.00 C ATOM 482 O ALA A 31 -5.678 -10.975 -6.169 1.00 0.00 O ATOM 483 CB ALA A 31 -4.790 -7.754 -6.004 1.00 0.00 C ATOM 0 H ALA A 31 -7.012 -6.928 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.493 -8.995 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.891 -8.347 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.553 -6.913 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.163 -7.380 -5.050 1.00 0.00 H new ATOM 489 N GLY A 32 -7.054 -9.790 -4.830 1.00 0.00 N ATOM 490 CA GLY A 32 -7.401 -10.907 -3.947 1.00 0.00 C ATOM 491 C GLY A 32 -6.226 -11.277 -3.037 1.00 0.00 C ATOM 492 O GLY A 32 -5.310 -10.486 -2.832 1.00 0.00 O ATOM 0 H GLY A 32 -7.537 -8.922 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.265 -10.639 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.688 -11.772 -4.545 1.00 0.00 H new ATOM 496 N LEU A 33 -6.256 -12.478 -2.459 1.00 0.00 N ATOM 497 CA LEU A 33 -5.296 -12.984 -1.465 1.00 0.00 C ATOM 498 C LEU A 33 -4.438 -14.115 -2.088 1.00 0.00 C ATOM 499 O LEU A 33 -4.143 -15.115 -1.433 1.00 0.00 O ATOM 500 CB LEU A 33 -6.075 -13.472 -0.220 1.00 0.00 C ATOM 501 CG LEU A 33 -7.188 -12.529 0.292 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.151 -13.296 1.188 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.635 -11.369 1.116 1.00 0.00 C ATOM 0 H LEU A 33 -6.982 -13.160 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.615 -12.191 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.522 -14.439 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.363 -13.635 0.589 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.688 -12.136 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.931 -12.623 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.604 -14.110 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.608 -13.704 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.457 -10.737 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.101 -11.760 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.952 -10.781 0.503 1.00 0.00 H new ATOM 515 N THR A 34 -4.134 -14.031 -3.391 1.00 0.00 N ATOM 516 CA THR A 34 -3.436 -15.096 -4.139 1.00 0.00 C ATOM 517 C THR A 34 -2.641 -14.545 -5.324 1.00 0.00 C ATOM 518 O THR A 34 -3.196 -14.008 -6.293 1.00 0.00 O ATOM 519 CB THR A 34 -4.394 -16.190 -4.651 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.235 -16.678 -3.632 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.610 -17.386 -5.212 1.00 0.00 C ATOM 0 H THR A 34 -4.365 -13.219 -3.963 1.00 0.00 H new ATOM 0 HA THR A 34 -2.748 -15.541 -3.420 1.00 0.00 H new ATOM 0 HB THR A 34 -4.997 -15.722 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.827 -17.368 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.308 -18.144 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.983 -17.054 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.982 -17.809 -4.428 1.00 0.00 H new ATOM 529 N THR A 35 -1.320 -14.734 -5.274 1.00 0.00 N ATOM 530 CA THR A 35 -0.355 -14.387 -6.325 1.00 0.00 C ATOM 531 C THR A 35 0.222 -15.649 -6.974 1.00 0.00 C ATOM 532 O THR A 35 0.361 -16.678 -6.320 1.00 0.00 O ATOM 533 CB THR A 35 0.780 -13.497 -5.789 1.00 0.00 C ATOM 534 OG1 THR A 35 1.678 -13.308 -6.865 1.00 0.00 O ATOM 535 CG2 THR A 35 1.573 -14.034 -4.593 1.00 0.00 C ATOM 0 H THR A 35 -0.870 -15.154 -4.460 1.00 0.00 H new ATOM 0 HA THR A 35 -0.895 -13.818 -7.082 1.00 0.00 H new ATOM 0 HB THR A 35 0.307 -12.590 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.341 -12.600 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.342 -13.314 -4.313 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.899 -14.191 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.043 -14.980 -4.863 1.00 0.00 H new ATOM 543 N GLY A 36 0.549 -15.562 -8.270 1.00 0.00 N ATOM 544 CA GLY A 36 1.300 -16.586 -8.999 1.00 0.00 C ATOM 545 C GLY A 36 1.341 -16.339 -10.520 1.00 0.00 C ATOM 546 O GLY A 36 1.059 -17.242 -11.296 1.00 0.00 O ATOM 0 H GLY A 36 0.293 -14.762 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.320 -16.622 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.853 -17.561 -8.807 1.00 0.00 H new ATOM 550 N LYS A 37 1.572 -15.079 -10.932 1.00 0.00 N ATOM 551 CA LYS A 37 1.543 -14.578 -12.328 1.00 0.00 C ATOM 552 C LYS A 37 2.822 -13.789 -12.638 1.00 0.00 C ATOM 553 O LYS A 37 3.499 -14.073 -13.612 1.00 0.00 O ATOM 554 CB LYS A 37 0.239 -13.798 -12.663 1.00 0.00 C ATOM 555 CG LYS A 37 -0.336 -12.884 -11.560 1.00 0.00 C ATOM 556 CD LYS A 37 -1.233 -13.587 -10.518 1.00 0.00 C ATOM 557 CE LYS A 37 -2.712 -13.669 -10.905 1.00 0.00 C ATOM 558 NZ LYS A 37 -3.543 -13.853 -9.678 1.00 0.00 N ATOM 0 H LYS A 37 1.797 -14.339 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 37 1.524 -15.440 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.428 -13.186 -13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.528 -14.523 -12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.494 -12.407 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.913 -12.090 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.857 -14.597 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.148 -13.059 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.012 -12.760 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.873 -14.499 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.547 -13.908 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.263 -14.732 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.399 -13.047 -9.037 1.00 0.00 H new ATOM 572 N SER A 38 3.183 -12.856 -11.755 1.00 0.00 N ATOM 573 CA SER A 38 4.346 -11.971 -11.890 1.00 0.00 C ATOM 574 C SER A 38 5.089 -11.741 -10.571 1.00 0.00 C ATOM 575 O SER A 38 6.310 -11.875 -10.466 1.00 0.00 O ATOM 576 CB SER A 38 3.791 -10.648 -12.416 1.00 0.00 C ATOM 577 OG SER A 38 2.765 -10.121 -11.558 1.00 0.00 O ATOM 0 H SER A 38 2.658 -12.689 -10.897 1.00 0.00 H new ATOM 0 HA SER A 38 5.080 -12.423 -12.557 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.600 -9.923 -12.503 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.387 -10.796 -13.418 1.00 0.00 H new ATOM 0 HG SER A 38 1.931 -10.029 -12.064 1.00 0.00 H new ATOM 583 N GLY A 39 4.330 -11.369 -9.551 1.00 0.00 N ATOM 584 CA GLY A 39 4.854 -11.030 -8.243 1.00 0.00 C ATOM 585 C GLY A 39 3.909 -10.122 -7.478 1.00 0.00 C ATOM 586 O GLY A 39 4.410 -9.249 -6.778 1.00 0.00 O ATOM 0 H GLY A 39 3.315 -11.294 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.024 -11.942 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.821 -10.539 -8.354 1.00 0.00 H new ATOM 590 N ASP A 40 2.589 -10.260 -7.644 1.00 0.00 N ATOM 591 CA ASP A 40 1.577 -9.555 -6.857 1.00 0.00 C ATOM 592 C ASP A 40 0.198 -10.275 -6.833 1.00 0.00 C ATOM 593 O ASP A 40 -0.090 -11.128 -7.697 1.00 0.00 O ATOM 594 CB ASP A 40 1.519 -8.061 -7.241 1.00 0.00 C ATOM 595 CG ASP A 40 1.521 -7.739 -8.735 1.00 0.00 C ATOM 596 OD1 ASP A 40 0.557 -8.167 -9.407 1.00 0.00 O ATOM 597 OD2 ASP A 40 2.472 -7.033 -9.147 1.00 0.00 O ATOM 0 H ASP A 40 2.187 -10.881 -8.347 1.00 0.00 H new ATOM 0 HA ASP A 40 1.891 -9.586 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.620 -7.631 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.370 -7.558 -6.783 1.00 0.00 H new ATOM 602 N PRO A 41 -0.630 -10.028 -5.787 1.00 0.00 N ATOM 603 CA PRO A 41 -0.342 -9.276 -4.540 1.00 0.00 C ATOM 604 C PRO A 41 0.739 -9.916 -3.653 1.00 0.00 C ATOM 605 O PRO A 41 1.215 -11.003 -3.954 1.00 0.00 O ATOM 606 CB PRO A 41 -1.698 -9.214 -3.824 1.00 0.00 C ATOM 607 CG PRO A 41 -2.436 -10.468 -4.271 1.00 0.00 C ATOM 608 CD PRO A 41 -1.940 -10.658 -5.696 1.00 0.00 C ATOM 0 HA PRO A 41 0.075 -8.295 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.572 -9.195 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.248 -8.314 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.196 -11.325 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.517 -10.337 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.874 -11.718 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.633 -10.208 -6.407 1.00 0.00 H new ATOM 616 N HIS A 42 1.180 -9.265 -2.572 1.00 0.00 N ATOM 617 CA HIS A 42 2.222 -9.825 -1.687 1.00 0.00 C ATOM 618 C HIS A 42 1.613 -10.139 -0.326 1.00 0.00 C ATOM 619 O HIS A 42 0.782 -9.379 0.158 1.00 0.00 O ATOM 620 CB HIS A 42 3.423 -8.872 -1.546 1.00 0.00 C ATOM 621 CG HIS A 42 3.728 -8.021 -2.758 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.228 -6.763 -3.054 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.431 -8.462 -3.835 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.624 -6.454 -4.309 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.351 -7.479 -4.798 1.00 0.00 N ATOM 0 H HIS A 42 0.835 -8.349 -2.284 1.00 0.00 H new ATOM 0 HA HIS A 42 2.599 -10.744 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.243 -8.212 -0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.307 -9.463 -1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.953 -9.404 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.396 -5.538 -4.833 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.772 -7.520 -5.726 1.00 0.00 H new ATOM 634 N ARG A 43 2.036 -11.232 0.311 1.00 0.00 N ATOM 635 CA ARG A 43 1.667 -11.578 1.693 1.00 0.00 C ATOM 636 C ARG A 43 2.267 -10.556 2.652 1.00 0.00 C ATOM 637 O ARG A 43 3.479 -10.393 2.663 1.00 0.00 O ATOM 638 CB ARG A 43 2.202 -12.984 2.010 1.00 0.00 C ATOM 639 CG ARG A 43 1.215 -14.054 1.523 1.00 0.00 C ATOM 640 CD ARG A 43 -0.010 -14.192 2.448 1.00 0.00 C ATOM 641 NE ARG A 43 0.364 -14.580 3.819 1.00 0.00 N ATOM 642 CZ ARG A 43 0.825 -15.741 4.258 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.915 -16.797 3.497 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.212 -15.842 5.496 1.00 0.00 N ATOM 0 H ARG A 43 2.656 -11.916 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 43 0.583 -11.568 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.170 -13.128 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.359 -13.087 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.880 -13.803 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.727 -15.014 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.550 -13.246 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.692 -14.936 2.036 1.00 0.00 H new ATOM 0 HE ARG A 43 0.253 -13.855 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.624 -16.748 2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.277 -17.671 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.158 -15.033 6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.569 -16.730 5.848 1.00 0.00 H new ATOM 658 N TYR A 44 1.420 -9.905 3.438 1.00 0.00 N ATOM 659 CA TYR A 44 1.802 -9.074 4.572 1.00 0.00 C ATOM 660 C TYR A 44 1.679 -9.929 5.848 1.00 0.00 C ATOM 661 O TYR A 44 0.698 -10.657 6.053 1.00 0.00 O ATOM 662 CB TYR A 44 0.901 -7.832 4.571 1.00 0.00 C ATOM 663 CG TYR A 44 1.147 -6.809 5.653 1.00 0.00 C ATOM 664 CD1 TYR A 44 0.855 -7.112 6.998 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.665 -5.548 5.307 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.056 -6.156 8.003 1.00 0.00 C ATOM 667 CE2 TYR A 44 1.917 -4.605 6.312 1.00 0.00 C ATOM 668 CZ TYR A 44 1.607 -4.911 7.650 1.00 0.00 C ATOM 669 OH TYR A 44 1.978 -4.048 8.608 1.00 0.00 O ATOM 0 H TYR A 44 0.410 -9.943 3.298 1.00 0.00 H new ATOM 0 HA TYR A 44 2.833 -8.724 4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.007 -7.337 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.134 -8.164 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.473 -8.089 7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.867 -5.308 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.793 -6.371 9.028 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.348 -3.647 6.061 1.00 0.00 H new ATOM 0 HH TYR A 44 2.541 -4.510 9.264 1.00 0.00 H new ATOM 679 N PHE A 45 2.699 -9.845 6.694 1.00 0.00 N ATOM 680 CA PHE A 45 2.792 -10.436 8.029 1.00 0.00 C ATOM 681 C PHE A 45 2.844 -9.300 9.071 1.00 0.00 C ATOM 682 O PHE A 45 3.316 -8.208 8.765 1.00 0.00 O ATOM 683 CB PHE A 45 4.071 -11.294 8.078 1.00 0.00 C ATOM 684 CG PHE A 45 4.316 -11.927 9.436 1.00 0.00 C ATOM 685 CD1 PHE A 45 3.523 -13.006 9.874 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.255 -11.351 10.313 1.00 0.00 C ATOM 687 CE1 PHE A 45 3.662 -13.498 11.186 1.00 0.00 C ATOM 688 CE2 PHE A 45 5.347 -11.802 11.642 1.00 0.00 C ATOM 689 CZ PHE A 45 4.557 -12.882 12.076 1.00 0.00 C ATOM 0 H PHE A 45 3.543 -9.327 6.451 1.00 0.00 H new ATOM 0 HA PHE A 45 1.930 -11.065 8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.003 -12.080 7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.927 -10.673 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.807 -13.457 9.202 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.905 -10.562 9.965 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.080 -14.349 11.508 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.025 -11.319 12.330 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.639 -13.237 13.093 1.00 0.00 H new ATOM 699 N ALA A 46 2.436 -9.567 10.312 1.00 0.00 N ATOM 700 CA ALA A 46 2.473 -8.649 11.460 1.00 0.00 C ATOM 701 C ALA A 46 3.898 -8.362 12.016 1.00 0.00 C ATOM 702 O ALA A 46 4.122 -8.276 13.223 1.00 0.00 O ATOM 703 CB ALA A 46 1.589 -9.270 12.532 1.00 0.00 C ATOM 0 H ALA A 46 2.049 -10.477 10.561 1.00 0.00 H new ATOM 0 HA ALA A 46 2.116 -7.671 11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.579 -8.628 13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.574 -9.377 12.149 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.980 -10.251 12.803 1.00 0.00 H new ATOM 709 N GLY A 47 4.893 -8.266 11.133 1.00 0.00 N ATOM 710 CA GLY A 47 6.301 -8.024 11.473 1.00 0.00 C ATOM 711 C GLY A 47 6.593 -6.535 11.620 1.00 0.00 C ATOM 712 O GLY A 47 7.342 -6.108 12.501 1.00 0.00 O ATOM 0 H GLY A 47 4.739 -8.357 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.545 -8.537 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.941 -8.447 10.699 1.00 0.00 H new ATOM 716 N ASP A 48 5.974 -5.736 10.755 1.00 0.00 N ATOM 717 CA ASP A 48 6.082 -4.289 10.786 1.00 0.00 C ATOM 718 C ASP A 48 5.138 -3.720 11.866 1.00 0.00 C ATOM 719 O ASP A 48 3.949 -4.015 11.894 1.00 0.00 O ATOM 720 CB ASP A 48 5.752 -3.709 9.407 1.00 0.00 C ATOM 721 CG ASP A 48 6.594 -4.332 8.302 1.00 0.00 C ATOM 722 OD1 ASP A 48 7.757 -3.882 8.193 1.00 0.00 O ATOM 723 OD2 ASP A 48 6.062 -5.244 7.634 1.00 0.00 O ATOM 0 H ASP A 48 5.377 -6.084 10.005 1.00 0.00 H new ATOM 0 HA ASP A 48 7.104 -4.006 11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.696 -3.870 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.914 -2.631 9.420 1.00 0.00 H new ATOM 728 N HIS A 49 5.625 -2.820 12.733 1.00 0.00 N ATOM 729 CA HIS A 49 4.853 -2.169 13.844 1.00 0.00 C ATOM 730 C HIS A 49 3.503 -1.470 13.498 1.00 0.00 C ATOM 731 O HIS A 49 2.811 -0.885 14.355 1.00 0.00 O ATOM 732 CB HIS A 49 5.683 -1.011 14.411 1.00 0.00 C ATOM 733 CG HIS A 49 6.987 -1.337 15.070 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.142 -0.575 15.003 1.00 0.00 N ATOM 735 CD2 HIS A 49 7.188 -2.370 15.936 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.047 -1.160 15.815 1.00 0.00 C ATOM 737 NE2 HIS A 49 8.490 -2.255 16.385 1.00 0.00 N ATOM 0 H HIS A 49 6.594 -2.504 12.694 1.00 0.00 H new ATOM 0 HA HIS A 49 4.644 -3.017 14.496 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.885 -0.315 13.597 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.065 -0.482 15.137 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.472 -3.128 16.216 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.055 -0.811 15.984 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.954 -2.888 17.036 1.00 0.00 H new ATOM 746 N ILE A 50 3.286 -1.301 12.198 1.00 0.00 N ATOM 747 CA ILE A 50 2.057 -0.877 11.536 1.00 0.00 C ATOM 748 C ILE A 50 0.836 -1.667 12.057 1.00 0.00 C ATOM 749 O ILE A 50 0.496 -2.751 11.607 1.00 0.00 O ATOM 750 CB ILE A 50 2.189 -1.031 10.004 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.592 -0.895 9.401 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.259 -0.061 9.284 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.545 -1.113 7.878 1.00 0.00 C ATOM 0 H ILE A 50 4.030 -1.472 11.522 1.00 0.00 H new ATOM 0 HA ILE A 50 1.897 0.175 11.770 1.00 0.00 H new ATOM 0 HB ILE A 50 1.911 -2.073 9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.995 0.094 9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.263 -1.622 9.858 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.367 -0.185 8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.227 -0.265 9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.517 0.962 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.549 -1.013 7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.163 -2.111 7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.890 -0.369 7.424 1.00 0.00 H new ATOM 765 N ARG A 51 0.134 -1.052 13.009 1.00 0.00 N ATOM 766 CA ARG A 51 -1.066 -1.620 13.670 1.00 0.00 C ATOM 767 C ARG A 51 -2.413 -1.121 13.137 1.00 0.00 C ATOM 768 O ARG A 51 -3.478 -1.616 13.489 1.00 0.00 O ATOM 769 CB ARG A 51 -0.938 -1.296 15.155 1.00 0.00 C ATOM 770 CG ARG A 51 -1.342 0.148 15.441 1.00 0.00 C ATOM 771 CD ARG A 51 -0.841 0.622 16.788 1.00 0.00 C ATOM 772 NE ARG A 51 -0.808 2.100 16.807 1.00 0.00 N ATOM 773 CZ ARG A 51 0.166 2.872 16.358 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.249 2.368 15.827 1.00 0.00 N ATOM 775 NH2 ARG A 51 0.071 4.168 16.454 1.00 0.00 N ATOM 0 H ARG A 51 0.380 -0.125 13.357 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.082 -2.690 13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.566 -1.974 15.733 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.090 -1.460 15.479 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.947 0.796 14.659 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.428 0.234 15.408 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.491 0.252 17.581 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.155 0.222 16.979 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.619 2.571 17.207 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.357 1.357 15.752 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.986 2.986 15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.757 4.589 16.877 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.824 4.762 16.107 1.00 0.00 H new ATOM 789 N TRP A 52 -2.330 -0.039 12.357 1.00 0.00 N ATOM 790 CA TRP A 52 -3.447 0.585 11.614 1.00 0.00 C ATOM 791 C TRP A 52 -4.585 1.174 12.508 1.00 0.00 C ATOM 792 O TRP A 52 -5.679 1.503 12.056 1.00 0.00 O ATOM 793 CB TRP A 52 -3.922 -0.441 10.576 1.00 0.00 C ATOM 794 CG TRP A 52 -2.860 -0.989 9.648 1.00 0.00 C ATOM 795 CD1 TRP A 52 -1.951 -1.977 9.864 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.612 -0.536 8.294 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.122 -2.100 8.761 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.488 -1.225 7.760 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.198 0.471 7.511 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.958 -0.904 6.505 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.661 0.825 6.271 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.574 0.108 5.748 1.00 0.00 C ATOM 0 H TRP A 52 -1.448 0.453 12.215 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.090 1.484 11.112 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.380 -1.277 11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.702 0.020 9.970 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.885 -2.576 10.760 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.341 -2.754 8.697 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.079 0.981 7.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.091 -1.424 6.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.082 1.650 5.715 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.208 0.335 4.758 1.00 0.00 H new ATOM 813 N GLY A 53 -4.285 1.306 13.810 1.00 0.00 N ATOM 814 CA GLY A 53 -5.272 1.511 14.876 1.00 0.00 C ATOM 815 C GLY A 53 -6.368 0.431 14.964 1.00 0.00 C ATOM 816 O GLY A 53 -7.406 0.700 15.560 1.00 0.00 O ATOM 0 H GLY A 53 -3.326 1.272 14.156 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.749 1.556 15.831 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.749 2.480 14.728 1.00 0.00 H new ATOM 820 N VAL A 54 -6.156 -0.781 14.428 1.00 0.00 N ATOM 821 CA VAL A 54 -7.162 -1.855 14.313 1.00 0.00 C ATOM 822 C VAL A 54 -6.685 -3.108 15.042 1.00 0.00 C ATOM 823 O VAL A 54 -5.582 -3.587 14.785 1.00 0.00 O ATOM 824 CB VAL A 54 -7.336 -2.240 12.831 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.232 -3.475 12.615 1.00 0.00 C ATOM 826 CG2 VAL A 54 -7.898 -1.130 11.939 1.00 0.00 C ATOM 0 H VAL A 54 -5.249 -1.052 14.049 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.095 -1.491 14.743 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.308 -2.453 12.537 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.309 -3.687 11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.796 -4.334 13.125 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.225 -3.279 13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.985 -1.495 10.915 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.882 -0.834 12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.228 -0.270 11.963 1.00 0.00 H new ATOM 836 N ASN A 55 -7.577 -3.746 15.808 1.00 0.00 N ATOM 837 CA ASN A 55 -7.276 -4.969 16.564 1.00 0.00 C ATOM 838 C ASN A 55 -6.794 -6.165 15.695 1.00 0.00 C ATOM 839 O ASN A 55 -5.857 -6.872 16.034 1.00 0.00 O ATOM 840 CB ASN A 55 -8.558 -5.313 17.335 1.00 0.00 C ATOM 841 CG ASN A 55 -8.261 -6.299 18.440 1.00 0.00 C ATOM 842 OD1 ASN A 55 -7.719 -5.963 19.470 1.00 0.00 O ATOM 843 ND2 ASN A 55 -8.616 -7.552 18.310 1.00 0.00 N ATOM 0 H ASN A 55 -8.538 -3.425 15.922 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.430 -4.783 17.226 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.991 -4.406 17.756 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.298 -5.733 16.654 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.434 -8.214 19.064 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.074 -7.866 17.455 1.00 0.00 H new ATOM 850 N ASN A 56 -7.471 -6.418 14.565 1.00 0.00 N ATOM 851 CA ASN A 56 -7.126 -7.457 13.571 1.00 0.00 C ATOM 852 C ASN A 56 -5.808 -7.227 12.816 1.00 0.00 C ATOM 853 O ASN A 56 -5.154 -8.206 12.451 1.00 0.00 O ATOM 854 CB ASN A 56 -8.249 -7.586 12.518 1.00 0.00 C ATOM 855 CG ASN A 56 -9.366 -8.541 12.896 1.00 0.00 C ATOM 856 OD1 ASN A 56 -9.546 -8.931 14.038 1.00 0.00 O ATOM 857 ND2 ASN A 56 -10.131 -8.984 11.926 1.00 0.00 N ATOM 0 H ASN A 56 -8.303 -5.889 14.305 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.005 -8.365 14.162 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.677 -6.599 12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.810 -7.917 11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.874 -9.653 12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.982 -8.659 10.971 1.00 0.00 H new ATOM 864 N CYS A 57 -5.491 -5.967 12.492 1.00 0.00 N ATOM 865 CA CYS A 57 -4.224 -5.601 11.876 1.00 0.00 C ATOM 866 C CYS A 57 -3.047 -5.588 12.878 1.00 0.00 C ATOM 867 O CYS A 57 -1.953 -5.950 12.469 1.00 0.00 O ATOM 868 CB CYS A 57 -4.404 -4.270 11.151 1.00 0.00 C ATOM 869 SG CYS A 57 -5.858 -4.223 10.070 1.00 0.00 S ATOM 0 H CYS A 57 -6.113 -5.175 12.653 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.948 -6.366 11.150 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.484 -3.472 11.889 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.513 -4.066 10.557 1.00 0.00 H new ATOM 874 N ASP A 58 -3.279 -5.271 14.167 1.00 0.00 N ATOM 875 CA ASP A 58 -2.355 -5.378 15.329 1.00 0.00 C ATOM 876 C ASP A 58 -2.291 -6.799 15.956 1.00 0.00 C ATOM 877 O ASP A 58 -1.947 -6.980 17.124 1.00 0.00 O ATOM 878 CB ASP A 58 -2.803 -4.344 16.392 1.00 0.00 C ATOM 879 CG ASP A 58 -1.704 -3.915 17.395 1.00 0.00 C ATOM 880 OD1 ASP A 58 -0.553 -3.687 16.949 1.00 0.00 O ATOM 881 OD2 ASP A 58 -2.051 -3.606 18.556 1.00 0.00 O ATOM 0 H ASP A 58 -4.187 -4.904 14.452 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.346 -5.175 14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.172 -3.456 15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.641 -4.761 16.951 1.00 0.00 H new ATOM 886 N LYS A 59 -2.674 -7.840 15.209 1.00 0.00 N ATOM 887 CA LYS A 59 -2.523 -9.248 15.624 1.00 0.00 C ATOM 888 C LYS A 59 -1.065 -9.701 15.521 1.00 0.00 C ATOM 889 O LYS A 59 -0.285 -9.085 14.823 1.00 0.00 O ATOM 890 CB LYS A 59 -3.398 -10.096 14.704 1.00 0.00 C ATOM 891 CG LYS A 59 -4.840 -10.181 15.194 1.00 0.00 C ATOM 892 CD LYS A 59 -5.016 -11.182 16.351 1.00 0.00 C ATOM 893 CE LYS A 59 -6.455 -11.705 16.339 1.00 0.00 C ATOM 894 NZ LYS A 59 -6.637 -12.664 15.220 1.00 0.00 N ATOM 0 H LYS A 59 -3.102 -7.733 14.289 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.827 -9.360 16.665 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.382 -9.673 13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.981 -11.100 14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.168 -9.194 15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.485 -10.473 14.365 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.314 -12.009 16.245 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.798 -10.699 17.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.681 -12.193 17.287 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.152 -10.874 16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.417 -13.314 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.860 -12.142 14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.761 -13.208 15.083 1.00 0.00 H new ATOM 908 N ALA A 60 -0.725 -10.833 16.139 1.00 0.00 N ATOM 909 CA ALA A 60 0.616 -11.434 16.071 1.00 0.00 C ATOM 910 C ALA A 60 0.775 -12.433 14.900 1.00 0.00 C ATOM 911 O ALA A 60 1.676 -12.316 14.081 1.00 0.00 O ATOM 912 CB ALA A 60 0.889 -12.094 17.429 1.00 0.00 C ATOM 0 H ALA A 60 -1.379 -11.369 16.710 1.00 0.00 H new ATOM 0 HA ALA A 60 1.352 -10.656 15.867 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.878 -12.553 17.418 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.847 -11.340 18.215 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.136 -12.859 17.620 1.00 0.00 H new ATOM 918 N ASP A 61 -0.146 -13.394 14.790 1.00 0.00 N ATOM 919 CA ASP A 61 -0.203 -14.407 13.724 1.00 0.00 C ATOM 920 C ASP A 61 -1.343 -14.113 12.723 1.00 0.00 C ATOM 921 O ASP A 61 -2.139 -14.967 12.330 1.00 0.00 O ATOM 922 CB ASP A 61 -0.258 -15.802 14.366 1.00 0.00 C ATOM 923 CG ASP A 61 0.081 -16.883 13.337 1.00 0.00 C ATOM 924 OD1 ASP A 61 1.009 -16.624 12.530 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.587 -17.939 13.386 1.00 0.00 O ATOM 0 H ASP A 61 -0.903 -13.495 15.466 1.00 0.00 H new ATOM 0 HA ASP A 61 0.701 -14.371 13.116 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.443 -15.853 15.199 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.252 -15.981 14.775 1.00 0.00 H new ATOM 930 N ALA A 62 -1.518 -12.835 12.378 1.00 0.00 N ATOM 931 CA ALA A 62 -2.463 -12.441 11.333 1.00 0.00 C ATOM 932 C ALA A 62 -1.928 -12.697 9.918 1.00 0.00 C ATOM 933 O ALA A 62 -0.737 -12.850 9.654 1.00 0.00 O ATOM 934 CB ALA A 62 -2.910 -10.986 11.523 1.00 0.00 C ATOM 0 H ALA A 62 -1.018 -12.057 12.807 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.340 -13.080 11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.612 -10.715 10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.395 -10.878 12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.041 -10.329 11.476 1.00 0.00 H new ATOM 940 N ILE A 63 -2.868 -12.671 8.975 1.00 0.00 N ATOM 941 CA ILE A 63 -2.634 -12.859 7.552 1.00 0.00 C ATOM 942 C ILE A 63 -3.227 -11.634 6.869 1.00 0.00 C ATOM 943 O ILE A 63 -4.446 -11.514 6.751 1.00 0.00 O ATOM 944 CB ILE A 63 -3.214 -14.211 7.067 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.657 -15.412 7.875 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.918 -14.363 5.560 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.435 -16.713 7.626 1.00 0.00 C ATOM 0 H ILE A 63 -3.851 -12.512 9.194 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.575 -12.929 7.304 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.291 -14.211 7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.610 -15.565 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.688 -15.174 8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.321 -15.311 5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.383 -13.543 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.840 -14.342 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.999 -17.517 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.477 -16.575 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.382 -16.972 6.569 1.00 0.00 H new ATOM 959 N LEU A 64 -2.365 -10.710 6.466 1.00 0.00 N ATOM 960 CA LEU A 64 -2.692 -9.577 5.615 1.00 0.00 C ATOM 961 C LEU A 64 -1.999 -9.745 4.245 1.00 0.00 C ATOM 962 O LEU A 64 -1.330 -10.742 3.961 1.00 0.00 O ATOM 963 CB LEU A 64 -2.343 -8.265 6.363 1.00 0.00 C ATOM 964 CG LEU A 64 -3.377 -7.695 7.366 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.508 -8.521 8.657 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.103 -6.219 7.690 1.00 0.00 C ATOM 0 H LEU A 64 -1.381 -10.731 6.734 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.760 -9.528 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.410 -8.428 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.148 -7.497 5.614 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.338 -7.766 6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.250 -8.061 9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.822 -9.535 8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.545 -8.553 9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.850 -5.857 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.110 -6.121 8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.154 -5.630 6.774 1.00 0.00 H new ATOM 978 N TRP A 65 -2.209 -8.779 3.364 1.00 0.00 N ATOM 979 CA TRP A 65 -1.609 -8.647 2.041 1.00 0.00 C ATOM 980 C TRP A 65 -1.277 -7.184 1.760 1.00 0.00 C ATOM 981 O TRP A 65 -1.848 -6.302 2.396 1.00 0.00 O ATOM 982 CB TRP A 65 -2.589 -9.194 1.004 1.00 0.00 C ATOM 983 CG TRP A 65 -2.698 -10.686 0.999 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.351 -11.426 1.919 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.064 -11.638 0.104 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.132 -12.768 1.679 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.367 -12.956 0.543 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.225 -11.512 -1.014 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.876 -14.088 -0.130 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.706 -12.635 -1.681 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.056 -13.929 -1.262 1.00 0.00 C ATOM 0 H TRP A 65 -2.849 -8.011 3.567 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.680 -9.215 1.992 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.575 -8.768 1.191 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.279 -8.859 0.014 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.954 -11.029 2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.489 -13.523 2.264 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.971 -10.525 -1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.128 -15.078 0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.036 -12.503 -2.518 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.699 -14.793 -1.803 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.397 -6.943 0.787 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.002 -5.623 0.283 1.00 0.00 C ATOM 1004 C GLU A 66 0.005 -5.581 -1.263 1.00 0.00 C ATOM 1005 O GLU A 66 0.431 -6.541 -1.926 1.00 0.00 O ATOM 1006 CB GLU A 66 1.351 -5.142 0.872 1.00 0.00 C ATOM 1007 CG GLU A 66 2.601 -5.912 0.400 1.00 0.00 C ATOM 1008 CD GLU A 66 3.883 -5.050 0.289 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.352 -4.478 1.291 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.377 -4.889 -0.856 1.00 0.00 O ATOM 0 H GLU A 66 0.085 -7.701 0.303 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.760 -4.920 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.480 -4.089 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.296 -5.207 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.789 -6.733 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.392 -6.357 -0.573 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.402 -4.452 -1.857 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.356 -4.268 -3.311 1.00 0.00 C ATOM 1019 C TYR A 67 -0.133 -2.792 -3.725 1.00 0.00 C ATOM 1020 O TYR A 67 -0.833 -1.918 -3.230 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.628 -4.850 -3.921 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.549 -4.964 -5.436 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.498 -3.829 -6.259 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -1.526 -6.221 -6.050 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.543 -3.964 -7.654 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -1.522 -6.372 -7.448 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.553 -5.233 -8.271 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.678 -5.372 -9.619 1.00 0.00 O ATOM 0 H TYR A 67 -0.769 -3.648 -1.348 1.00 0.00 H new ATOM 0 HA TYR A 67 0.510 -4.803 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.813 -5.836 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.477 -4.222 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.424 -2.847 -5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.511 -7.105 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.571 -3.077 -8.270 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.495 -7.358 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.662 -6.324 -9.853 1.00 0.00 H new ATOM 1038 N PRO A 68 0.872 -2.468 -4.568 1.00 0.00 N ATOM 1039 CA PRO A 68 1.236 -1.101 -4.997 1.00 0.00 C ATOM 1040 C PRO A 68 0.233 -0.427 -5.945 1.00 0.00 C ATOM 1041 O PRO A 68 -0.196 -1.015 -6.932 1.00 0.00 O ATOM 1042 CB PRO A 68 2.583 -1.236 -5.712 1.00 0.00 C ATOM 1043 CG PRO A 68 2.491 -2.665 -6.253 1.00 0.00 C ATOM 1044 CD PRO A 68 1.788 -3.422 -5.151 1.00 0.00 C ATOM 0 HA PRO A 68 1.258 -0.462 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.701 -0.501 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.425 -1.107 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.930 -2.704 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.478 -3.080 -6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.257 -4.289 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.498 -3.791 -4.411 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.052 0.853 -5.683 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.135 1.620 -6.325 1.00 0.00 C ATOM 1054 C ILE A 69 -0.681 2.980 -6.804 1.00 0.00 C ATOM 1055 O ILE A 69 0.317 3.538 -6.348 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.356 1.821 -5.401 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -2.096 2.711 -4.168 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -2.888 0.460 -4.989 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -3.417 3.155 -3.527 1.00 0.00 C ATOM 0 H ILE A 69 0.474 1.401 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.427 1.012 -7.181 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.100 2.370 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.499 2.164 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.517 3.587 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.751 0.589 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.185 -0.098 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.110 -0.089 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.208 3.781 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.001 3.722 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.982 2.277 -3.213 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.475 3.564 -7.680 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.175 4.842 -8.263 1.00 0.00 C ATOM 1073 C TYR A 70 -2.091 5.880 -7.599 1.00 0.00 C ATOM 1074 O TYR A 70 -3.307 5.736 -7.576 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.267 4.666 -9.779 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.108 3.870 -10.404 1.00 0.00 C ATOM 1077 CD1 TYR A 70 0.161 2.517 -10.085 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.728 4.507 -11.341 1.00 0.00 C ATOM 1079 CE1 TYR A 70 1.293 1.873 -10.619 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.914 3.884 -11.810 1.00 0.00 C ATOM 1081 CZ TYR A 70 2.242 2.563 -11.387 1.00 0.00 C ATOM 1082 OH TYR A 70 3.404 1.883 -11.637 1.00 0.00 O ATOM 0 H TYR A 70 -2.351 3.156 -8.005 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.170 5.224 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.205 4.164 -10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.306 5.651 -10.244 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.505 1.977 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.462 5.487 -11.709 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.435 0.819 -10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.569 4.411 -12.488 1.00 0.00 H new ATOM 0 HH TYR A 70 4.068 2.106 -10.951 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.474 6.876 -6.958 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.173 8.051 -6.440 1.00 0.00 C ATOM 1094 C TRP A 71 -2.754 8.897 -7.568 1.00 0.00 C ATOM 1095 O TRP A 71 -2.364 8.775 -8.734 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.193 8.904 -5.625 1.00 0.00 C ATOM 1097 CG TRP A 71 0.117 9.238 -6.284 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.383 10.227 -7.168 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.375 8.559 -6.074 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.730 10.188 -7.521 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.400 9.176 -6.845 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.723 7.453 -5.289 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.712 8.655 -6.829 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 3.063 7.103 -5.102 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.062 7.658 -5.912 1.00 0.00 C ATOM 0 H TRP A 71 -0.469 6.888 -6.784 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.995 7.708 -5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.690 9.838 -5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.982 8.382 -4.692 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.339 10.938 -7.543 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.168 10.821 -8.190 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.947 6.864 -4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.448 9.027 -7.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.330 6.400 -4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 71 5.085 7.322 -5.830 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.593 9.860 -7.167 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.314 10.757 -8.086 1.00 0.00 C ATOM 1118 C VAL A 72 -3.323 11.382 -9.090 1.00 0.00 C ATOM 1119 O VAL A 72 -2.351 12.027 -8.690 1.00 0.00 O ATOM 1120 CB VAL A 72 -5.071 11.856 -7.310 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.868 12.803 -8.240 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.984 11.323 -6.181 1.00 0.00 C ATOM 0 H VAL A 72 -3.794 10.042 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.053 10.172 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.279 12.429 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.380 13.556 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.184 13.294 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.602 12.227 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.478 12.160 -5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.735 10.657 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.383 10.776 -5.454 1.00 0.00 H new ATOM 1132 N GLY A 73 -3.550 11.159 -10.390 1.00 0.00 N ATOM 1133 CA GLY A 73 -2.794 11.727 -11.525 1.00 0.00 C ATOM 1134 C GLY A 73 -1.638 10.851 -12.040 1.00 0.00 C ATOM 1135 O GLY A 73 -1.260 10.943 -13.213 1.00 0.00 O ATOM 0 H GLY A 73 -4.304 10.546 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.486 11.910 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.391 12.695 -11.226 1.00 0.00 H new ATOM 1139 N LYS A 74 -1.070 10.010 -11.157 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.105 8.966 -11.527 1.00 0.00 C ATOM 1141 C LYS A 74 -0.826 7.953 -12.431 1.00 0.00 C ATOM 1142 O LYS A 74 -1.589 7.123 -11.961 1.00 0.00 O ATOM 1143 CB LYS A 74 0.509 8.319 -10.263 1.00 0.00 C ATOM 1144 CG LYS A 74 1.931 7.778 -10.485 1.00 0.00 C ATOM 1145 CD LYS A 74 2.312 6.706 -9.452 1.00 0.00 C ATOM 1146 CE LYS A 74 3.675 6.096 -9.806 1.00 0.00 C ATOM 1147 NZ LYS A 74 4.760 7.083 -9.609 1.00 0.00 N ATOM 0 H LYS A 74 -1.272 10.039 -10.158 1.00 0.00 H new ATOM 0 HA LYS A 74 0.734 9.388 -12.080 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.530 9.056 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.134 7.504 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.005 7.357 -11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.644 8.601 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.349 7.146 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.551 5.926 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.858 5.219 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.669 5.758 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.667 6.585 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.807 7.716 -10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.570 7.642 -8.753 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.599 8.032 -13.737 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.027 7.006 -14.689 1.00 0.00 C ATOM 1163 C ASN A 75 -0.030 5.844 -14.717 1.00 0.00 C ATOM 1164 O ASN A 75 1.059 5.953 -14.144 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.100 7.623 -16.091 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.141 8.708 -16.211 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -3.128 8.772 -15.507 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -1.979 9.582 -17.166 1.00 0.00 N ATOM 0 H ASN A 75 -0.109 8.814 -14.171 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.003 6.631 -14.382 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.125 8.034 -16.351 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.318 6.838 -16.815 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.678 10.310 -17.315 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.153 9.538 -17.763 1.00 0.00 H new ATOM 1175 N ALA A 76 -0.412 4.802 -15.472 1.00 0.00 N ATOM 1176 CA ALA A 76 0.247 3.500 -15.639 1.00 0.00 C ATOM 1177 C ALA A 76 0.004 2.553 -14.439 1.00 0.00 C ATOM 1178 O ALA A 76 0.894 1.817 -14.012 1.00 0.00 O ATOM 1179 CB ALA A 76 1.723 3.706 -15.908 1.00 0.00 C ATOM 0 H ALA A 76 -1.265 4.855 -16.029 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.200 3.003 -16.500 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.209 2.738 -16.031 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.849 4.294 -16.817 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.175 4.235 -15.069 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.218 2.639 -13.908 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.800 1.781 -12.855 1.00 0.00 C ATOM 1187 C GLU A 77 -1.269 0.341 -12.911 1.00 0.00 C ATOM 1188 O GLU A 77 -1.218 -0.277 -13.975 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.339 1.761 -12.890 1.00 0.00 C ATOM 1190 CG GLU A 77 -3.900 1.378 -11.496 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.353 0.878 -11.541 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.203 1.599 -12.107 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -5.607 -0.223 -11.000 1.00 0.00 O ATOM 0 H GLU A 77 -1.876 3.354 -14.218 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.483 2.232 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.716 2.740 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.684 1.047 -13.638 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.270 0.603 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.842 2.245 -10.838 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.828 -0.166 -11.759 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.084 -1.414 -11.651 1.00 0.00 C ATOM 1202 C TRP A 78 -0.765 -2.599 -12.339 1.00 0.00 C ATOM 1203 O TRP A 78 -1.951 -2.884 -12.123 1.00 0.00 O ATOM 1204 CB TRP A 78 0.113 -1.769 -10.181 1.00 0.00 C ATOM 1205 CG TRP A 78 1.345 -2.556 -9.867 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.427 -3.903 -9.910 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.652 -2.087 -9.415 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.680 -4.311 -9.505 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.494 -3.223 -9.233 1.00 0.00 C ATOM 1210 CE3 TRP A 78 3.191 -0.834 -9.049 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.807 -3.087 -8.759 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.519 -0.682 -8.613 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.337 -1.811 -8.462 1.00 0.00 C ATOM 0 H TRP A 78 -0.983 0.291 -10.860 1.00 0.00 H new ATOM 0 HA TRP A 78 0.866 -1.241 -12.157 1.00 0.00 H new ATOM 0 HB2 TRP A 78 0.136 -0.846 -9.602 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.755 -2.336 -9.843 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.629 -4.563 -10.216 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.970 -5.285 -9.417 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.559 0.040 -9.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.419 -3.966 -8.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.908 0.302 -8.395 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.357 -1.707 -8.124 1.00 0.00 H new ATOM 1224 N ALA A 79 0.043 -3.326 -13.121 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.478 -4.419 -13.924 1.00 0.00 C ATOM 1226 C ALA A 79 -0.607 -5.742 -13.130 1.00 0.00 C ATOM 1227 O ALA A 79 -0.144 -5.880 -11.999 1.00 0.00 O ATOM 1228 CB ALA A 79 0.385 -4.586 -15.178 1.00 0.00 C ATOM 0 H ALA A 79 1.048 -3.173 -13.209 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.494 -4.163 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.005 -5.406 -15.781 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.363 -3.665 -15.760 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.412 -4.807 -14.886 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.226 -6.754 -13.746 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.467 -8.079 -13.138 1.00 0.00 C ATOM 1236 C LYS A 80 -0.309 -9.066 -13.327 1.00 0.00 C ATOM 1237 O LYS A 80 0.144 -9.709 -12.387 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.758 -8.652 -13.748 1.00 0.00 C ATOM 1239 CG LYS A 80 -4.021 -8.083 -13.072 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.337 -8.858 -11.781 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.835 -10.279 -12.089 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.234 -10.242 -12.567 1.00 0.00 N ATOM 0 H LYS A 80 -1.583 -6.680 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.559 -7.941 -12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.785 -8.427 -14.814 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.753 -9.738 -13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.874 -7.028 -12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.867 -8.145 -13.757 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.444 -8.911 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.094 -8.322 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.198 -10.739 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.766 -10.898 -11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.596 -11.213 -12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.820 -9.717 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.272 -9.770 -13.493 1.00 0.00 H new ATOM 1256 N ASP A 81 0.144 -9.249 -14.556 1.00 0.00 N ATOM 1257 CA ASP A 81 1.227 -10.165 -14.905 1.00 0.00 C ATOM 1258 C ASP A 81 2.561 -9.406 -15.110 1.00 0.00 C ATOM 1259 O ASP A 81 3.395 -9.808 -15.913 1.00 0.00 O ATOM 1260 CB ASP A 81 0.767 -11.063 -16.066 1.00 0.00 C ATOM 1261 CG ASP A 81 0.399 -10.288 -17.342 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -0.477 -9.394 -17.217 1.00 0.00 O ATOM 1263 OD2 ASP A 81 0.930 -10.635 -18.414 1.00 0.00 O ATOM 0 H ASP A 81 -0.238 -8.754 -15.362 1.00 0.00 H new ATOM 0 HA ASP A 81 1.454 -10.842 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.560 -11.773 -16.300 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.097 -11.644 -15.743 1.00 0.00 H new ATOM 1268 N VAL A 82 2.825 -8.355 -14.298 1.00 0.00 N ATOM 1269 CA VAL A 82 4.029 -7.509 -14.428 1.00 0.00 C ATOM 1270 C VAL A 82 4.746 -7.322 -13.091 1.00 0.00 C ATOM 1271 O VAL A 82 4.200 -6.758 -12.151 1.00 0.00 O ATOM 1272 CB VAL A 82 3.664 -6.161 -15.071 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.852 -5.222 -15.247 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.090 -6.374 -16.485 1.00 0.00 C ATOM 0 H VAL A 82 2.208 -8.072 -13.536 1.00 0.00 H new ATOM 0 HA VAL A 82 4.732 -8.023 -15.084 1.00 0.00 H new ATOM 0 HB VAL A 82 2.944 -5.715 -14.384 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.516 -4.292 -15.706 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.293 -5.007 -14.274 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.597 -5.694 -15.887 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.837 -5.409 -16.924 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.832 -6.873 -17.108 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.193 -6.991 -16.425 1.00 0.00 H new ATOM 1284 N LYS A 83 5.989 -7.812 -12.989 1.00 0.00 N ATOM 1285 CA LYS A 83 6.832 -7.647 -11.790 1.00 0.00 C ATOM 1286 C LYS A 83 7.162 -6.162 -11.549 1.00 0.00 C ATOM 1287 O LYS A 83 7.277 -5.397 -12.501 1.00 0.00 O ATOM 1288 CB LYS A 83 8.128 -8.458 -11.960 1.00 0.00 C ATOM 1289 CG LYS A 83 8.755 -8.812 -10.602 1.00 0.00 C ATOM 1290 CD LYS A 83 9.920 -9.784 -10.797 1.00 0.00 C ATOM 1291 CE LYS A 83 10.459 -10.231 -9.434 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.465 -11.312 -9.593 1.00 0.00 N ATOM 0 H LYS A 83 6.443 -8.336 -13.737 1.00 0.00 H new ATOM 0 HA LYS A 83 6.283 -8.015 -10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.916 -9.373 -12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.841 -7.885 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.106 -7.906 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.003 -9.259 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.590 -10.651 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.712 -9.305 -11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.909 -9.382 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.637 -10.582 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.817 -11.599 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.026 -12.129 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.258 -10.966 -10.170 1.00 0.00 H new ATOM 1306 N THR A 84 7.480 -5.786 -10.306 1.00 0.00 N ATOM 1307 CA THR A 84 7.862 -4.411 -9.881 1.00 0.00 C ATOM 1308 C THR A 84 8.889 -3.696 -10.782 1.00 0.00 C ATOM 1309 O THR A 84 8.689 -2.550 -11.156 1.00 0.00 O ATOM 1310 CB THR A 84 8.396 -4.389 -8.440 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.518 -5.231 -8.380 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.436 -4.916 -7.370 1.00 0.00 C ATOM 0 H THR A 84 7.482 -6.447 -9.529 1.00 0.00 H new ATOM 0 HA THR A 84 6.925 -3.860 -9.965 1.00 0.00 H new ATOM 0 HB THR A 84 8.588 -3.338 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.878 -5.232 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.913 -4.855 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.527 -4.314 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.184 -5.954 -7.587 1.00 0.00 H new ATOM 1320 N SER A 85 9.980 -4.374 -11.147 1.00 0.00 N ATOM 1321 CA SER A 85 11.031 -3.904 -12.069 1.00 0.00 C ATOM 1322 C SER A 85 10.557 -3.685 -13.510 1.00 0.00 C ATOM 1323 O SER A 85 10.910 -2.693 -14.143 1.00 0.00 O ATOM 1324 CB SER A 85 12.151 -4.947 -12.093 1.00 0.00 C ATOM 1325 OG SER A 85 12.494 -5.228 -10.750 1.00 0.00 O ATOM 0 H SER A 85 10.169 -5.312 -10.793 1.00 0.00 H new ATOM 0 HA SER A 85 11.359 -2.934 -11.695 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.822 -5.852 -12.603 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.015 -4.570 -12.639 1.00 0.00 H new ATOM 0 HG SER A 85 13.210 -5.896 -10.728 1.00 0.00 H new ATOM 1331 N GLN A 86 9.788 -4.640 -14.043 1.00 0.00 N ATOM 1332 CA GLN A 86 9.139 -4.503 -15.346 1.00 0.00 C ATOM 1333 C GLN A 86 8.127 -3.331 -15.340 1.00 0.00 C ATOM 1334 O GLN A 86 8.038 -2.635 -16.344 1.00 0.00 O ATOM 1335 CB GLN A 86 8.496 -5.849 -15.735 1.00 0.00 C ATOM 1336 CG GLN A 86 7.880 -5.852 -17.150 1.00 0.00 C ATOM 1337 CD GLN A 86 8.920 -5.798 -18.267 1.00 0.00 C ATOM 1338 OE1 GLN A 86 9.881 -6.543 -18.301 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.772 -4.950 -19.260 1.00 0.00 N ATOM 0 H GLN A 86 9.599 -5.530 -13.581 1.00 0.00 H new ATOM 0 HA GLN A 86 9.880 -4.255 -16.106 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.250 -6.634 -15.674 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.721 -6.095 -15.009 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.274 -6.750 -17.272 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.209 -4.999 -17.247 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.979 -4.308 -19.269 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.450 -4.934 -20.022 1.00 0.00 H new ATOM 1348 N GLN A 87 7.401 -3.103 -14.231 1.00 0.00 N ATOM 1349 CA GLN A 87 6.305 -2.140 -14.037 1.00 0.00 C ATOM 1350 C GLN A 87 6.545 -0.738 -14.631 1.00 0.00 C ATOM 1351 O GLN A 87 7.219 0.123 -14.055 1.00 0.00 O ATOM 1352 CB GLN A 87 5.910 -2.065 -12.545 1.00 0.00 C ATOM 1353 CG GLN A 87 4.460 -1.589 -12.393 1.00 0.00 C ATOM 1354 CD GLN A 87 3.469 -2.612 -12.944 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.776 -2.364 -13.911 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.413 -3.807 -12.415 1.00 0.00 N ATOM 0 H GLN A 87 7.582 -3.632 -13.378 1.00 0.00 H new ATOM 0 HA GLN A 87 5.470 -2.533 -14.617 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.027 -3.045 -12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.579 -1.383 -12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.246 -1.405 -11.340 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.332 -0.641 -12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.988 -4.033 -11.603 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.795 -4.513 -12.814 1.00 0.00 H new ATOM 1365 N LYS A 88 5.947 -0.484 -15.802 1.00 0.00 N ATOM 1366 CA LYS A 88 6.225 0.712 -16.614 1.00 0.00 C ATOM 1367 C LYS A 88 5.330 1.872 -16.210 1.00 0.00 C ATOM 1368 O LYS A 88 4.517 2.332 -17.004 1.00 0.00 O ATOM 1369 CB LYS A 88 6.130 0.407 -18.122 1.00 0.00 C ATOM 1370 CG LYS A 88 7.100 -0.676 -18.614 1.00 0.00 C ATOM 1371 CD LYS A 88 8.599 -0.383 -18.403 1.00 0.00 C ATOM 1372 CE LYS A 88 9.045 0.649 -19.446 1.00 0.00 C ATOM 1373 NZ LYS A 88 10.519 0.675 -19.602 1.00 0.00 N ATOM 0 H LYS A 88 5.252 -1.105 -16.217 1.00 0.00 H new ATOM 0 HA LYS A 88 7.253 1.015 -16.417 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.111 0.097 -18.354 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.318 1.325 -18.678 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.858 -1.611 -18.108 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.927 -0.835 -19.678 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.773 -0.003 -17.396 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.182 -1.299 -18.503 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.582 0.419 -20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.693 1.638 -19.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.780 1.385 -20.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.960 0.920 -18.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.852 -0.262 -19.908 1.00 0.00 H new ATOM 1387 N GLY A 89 5.507 2.354 -14.982 1.00 0.00 N ATOM 1388 CA GLY A 89 4.640 3.411 -14.457 1.00 0.00 C ATOM 1389 C GLY A 89 5.165 4.172 -13.248 1.00 0.00 C ATOM 1390 O GLY A 89 5.057 5.393 -13.146 1.00 0.00 O ATOM 0 H GLY A 89 6.232 2.036 -14.338 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.450 4.127 -15.257 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.680 2.967 -14.192 1.00 0.00 H new ATOM 1394 N GLY A 90 5.771 3.450 -12.316 1.00 0.00 N ATOM 1395 CA GLY A 90 6.512 4.034 -11.210 1.00 0.00 C ATOM 1396 C GLY A 90 6.636 3.097 -10.007 1.00 0.00 C ATOM 1397 O GLY A 90 5.666 2.425 -9.679 1.00 0.00 O ATOM 0 H GLY A 90 5.761 2.430 -12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.510 4.308 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.019 4.954 -10.896 1.00 0.00 H new ATOM 1401 N PRO A 91 7.737 3.158 -9.236 1.00 0.00 N ATOM 1402 CA PRO A 91 7.973 2.386 -8.006 1.00 0.00 C ATOM 1403 C PRO A 91 7.131 2.846 -6.792 1.00 0.00 C ATOM 1404 O PRO A 91 7.573 2.665 -5.658 1.00 0.00 O ATOM 1405 CB PRO A 91 9.492 2.514 -7.774 1.00 0.00 C ATOM 1406 CG PRO A 91 9.800 3.912 -8.310 1.00 0.00 C ATOM 1407 CD PRO A 91 8.882 4.002 -9.524 1.00 0.00 C ATOM 0 HA PRO A 91 7.652 1.351 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.749 2.420 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.049 1.744 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.581 4.687 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.849 4.021 -8.584 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.571 5.032 -9.700 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.395 3.666 -10.425 1.00 0.00 H new ATOM 1415 N THR A 92 5.944 3.438 -7.031 1.00 0.00 N ATOM 1416 CA THR A 92 4.964 3.949 -6.041 1.00 0.00 C ATOM 1417 C THR A 92 5.100 3.270 -4.670 1.00 0.00 C ATOM 1418 O THR A 92 4.822 2.074 -4.519 1.00 0.00 O ATOM 1419 CB THR A 92 3.496 3.929 -6.515 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.662 4.223 -5.411 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.078 2.630 -7.199 1.00 0.00 C ATOM 0 H THR A 92 5.618 3.584 -7.986 1.00 0.00 H new ATOM 0 HA THR A 92 5.230 5.000 -5.933 1.00 0.00 H new ATOM 0 HB THR A 92 3.390 4.690 -7.288 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.319 5.137 -5.494 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.033 2.698 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.700 2.465 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.202 1.798 -6.506 1.00 0.00 H new ATOM 1429 N PRO A 93 5.574 4.010 -3.651 1.00 0.00 N ATOM 1430 CA PRO A 93 5.808 3.430 -2.344 1.00 0.00 C ATOM 1431 C PRO A 93 4.502 3.149 -1.604 1.00 0.00 C ATOM 1432 O PRO A 93 4.502 2.463 -0.587 1.00 0.00 O ATOM 1433 CB PRO A 93 6.601 4.501 -1.611 1.00 0.00 C ATOM 1434 CG PRO A 93 6.107 5.816 -2.173 1.00 0.00 C ATOM 1435 CD PRO A 93 5.977 5.412 -3.643 1.00 0.00 C ATOM 0 HA PRO A 93 6.324 2.472 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.436 4.446 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.672 4.380 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.159 6.131 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.814 6.631 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.238 6.031 -4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.923 5.547 -4.168 1.00 0.00 H new ATOM 1443 N ILE A 94 3.413 3.756 -2.088 1.00 0.00 N ATOM 1444 CA ILE A 94 2.058 3.585 -1.592 1.00 0.00 C ATOM 1445 C ILE A 94 1.520 2.223 -2.040 1.00 0.00 C ATOM 1446 O ILE A 94 1.540 1.911 -3.232 1.00 0.00 O ATOM 1447 CB ILE A 94 1.115 4.722 -2.042 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.614 6.088 -1.539 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.301 4.514 -1.468 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.857 7.290 -2.097 1.00 0.00 C ATOM 0 H ILE A 94 3.463 4.408 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 94 2.093 3.627 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 94 1.097 4.704 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.546 6.106 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.669 6.190 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.950 5.326 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.701 3.564 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.254 4.505 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.278 8.208 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.946 7.304 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.195 7.218 -1.820 1.00 0.00 H new ATOM 1462 N ARG A 95 1.046 1.404 -1.101 1.00 0.00 N ATOM 1463 CA ARG A 95 0.461 0.087 -1.373 1.00 0.00 C ATOM 1464 C ARG A 95 -0.760 -0.118 -0.474 1.00 0.00 C ATOM 1465 O ARG A 95 -0.691 0.147 0.728 1.00 0.00 O ATOM 1466 CB ARG A 95 1.523 -1.012 -1.160 1.00 0.00 C ATOM 1467 CG ARG A 95 2.933 -0.645 -1.661 1.00 0.00 C ATOM 1468 CD ARG A 95 3.909 -1.789 -1.440 1.00 0.00 C ATOM 1469 NE ARG A 95 5.055 -1.662 -2.340 1.00 0.00 N ATOM 1470 CZ ARG A 95 6.234 -2.197 -2.117 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.498 -2.874 -1.032 1.00 0.00 N ATOM 1472 NH2 ARG A 95 7.171 -2.022 -3.007 1.00 0.00 N ATOM 0 H ARG A 95 1.057 1.641 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 95 0.132 0.028 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.578 -1.245 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.196 -1.919 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.892 -0.398 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.287 0.245 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.250 -1.790 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.408 -2.742 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 95 4.931 -1.123 -3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.776 -3.002 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.426 -3.275 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.979 -1.481 -3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.096 -2.426 -2.860 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.892 -0.543 -1.031 1.00 0.00 N ATOM 1487 CA VAL A 96 -3.040 -0.949 -0.206 1.00 0.00 C ATOM 1488 C VAL A 96 -2.655 -2.152 0.660 1.00 0.00 C ATOM 1489 O VAL A 96 -1.892 -3.004 0.206 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.271 -1.236 -1.077 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.121 -2.487 -1.913 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.521 -1.411 -0.220 1.00 0.00 C ATOM 0 H VAL A 96 -2.044 -0.617 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.311 -0.128 0.458 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.365 -0.373 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.022 -2.638 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.263 -2.381 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.970 -3.346 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.378 -1.613 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.378 -2.245 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.702 -0.500 0.350 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.206 -2.235 1.872 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.114 -3.340 2.829 1.00 0.00 C ATOM 1504 C VAL A 97 -4.500 -3.788 3.288 1.00 0.00 C ATOM 1505 O VAL A 97 -5.397 -3.032 3.663 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.225 -2.999 4.035 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -1.868 -4.212 4.906 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.915 -2.388 3.538 1.00 0.00 C ATOM 0 H VAL A 97 -3.773 -1.471 2.239 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.639 -4.169 2.305 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.802 -2.307 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.239 -3.891 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.781 -4.662 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.330 -4.945 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.281 -2.144 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.401 -3.103 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.128 -1.480 2.973 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.695 -5.091 3.209 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.943 -5.787 3.468 1.00 0.00 C ATOM 1520 C TYR A 98 -5.677 -7.079 4.230 1.00 0.00 C ATOM 1521 O TYR A 98 -4.567 -7.597 4.247 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.704 -6.027 2.158 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.888 -6.431 0.952 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -5.021 -5.524 0.302 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.994 -7.754 0.502 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.219 -5.971 -0.765 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.280 -8.160 -0.628 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.418 -7.264 -1.275 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.789 -7.670 -2.393 1.00 0.00 O ATOM 0 H TYR A 98 -3.944 -5.729 2.947 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.579 -5.165 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.450 -6.802 2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.246 -5.114 1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.974 -4.494 0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.625 -8.456 1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.460 -5.328 -1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.392 -9.166 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.144 -8.540 -2.670 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.716 -7.588 4.880 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.613 -8.781 5.706 1.00 0.00 C ATOM 1541 C ALA A 99 -7.140 -9.964 4.908 1.00 0.00 C ATOM 1542 O ALA A 99 -7.875 -9.789 3.936 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.297 -8.554 7.063 1.00 0.00 C ATOM 0 H ALA A 99 -7.652 -7.185 4.849 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.577 -9.009 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.211 -9.456 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.816 -7.723 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.350 -8.322 6.905 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.762 -11.166 5.319 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.377 -12.392 4.855 1.00 0.00 C ATOM 1551 C ASN A 100 -8.650 -12.745 5.632 1.00 0.00 C ATOM 1552 O ASN A 100 -9.564 -13.247 5.012 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.308 -13.502 4.819 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.862 -14.884 4.506 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -7.387 -15.546 5.379 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -6.813 -15.377 3.288 1.00 0.00 N ATOM 0 H ASN A 100 -6.010 -11.314 5.992 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.741 -12.261 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.557 -13.245 4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.800 -13.535 5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.211 -16.296 3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -6.377 -14.840 2.538 1.00 0.00 H new ATOM 1563 N SER A 101 -8.737 -12.495 6.942 1.00 0.00 N ATOM 1564 CA SER A 101 -9.875 -12.853 7.837 1.00 0.00 C ATOM 1565 C SER A 101 -10.597 -14.208 7.562 1.00 0.00 C ATOM 1566 O SER A 101 -11.769 -14.349 7.901 1.00 0.00 O ATOM 1567 CB SER A 101 -10.842 -11.659 8.089 1.00 0.00 C ATOM 1568 OG SER A 101 -11.590 -11.159 6.988 1.00 0.00 O ATOM 0 H SER A 101 -7.989 -12.016 7.444 1.00 0.00 H new ATOM 0 HA SER A 101 -9.380 -13.066 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.548 -11.960 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.256 -10.835 8.495 1.00 0.00 H new ATOM 0 HG SER A 101 -10.997 -11.038 6.217 1.00 0.00 H new ATOM 1574 N ARG A 102 -9.869 -15.223 7.030 1.00 0.00 N ATOM 1575 CA ARG A 102 -10.320 -16.521 6.464 1.00 0.00 C ATOM 1576 C ARG A 102 -10.987 -16.394 5.063 1.00 0.00 C ATOM 1577 O ARG A 102 -12.076 -16.909 4.834 1.00 0.00 O ATOM 1578 CB ARG A 102 -11.191 -17.258 7.497 1.00 0.00 C ATOM 1579 CG ARG A 102 -11.432 -18.739 7.171 1.00 0.00 C ATOM 1580 CD ARG A 102 -12.844 -19.043 7.668 1.00 0.00 C ATOM 1581 NE ARG A 102 -13.367 -20.247 7.031 1.00 0.00 N ATOM 1582 CZ ARG A 102 -14.584 -20.717 7.189 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -15.432 -20.174 8.017 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -14.971 -21.741 6.493 1.00 0.00 N ATOM 0 H ARG A 102 -8.853 -15.146 6.982 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.437 -17.130 6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.716 -17.185 8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.154 -16.752 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.345 -18.924 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.697 -19.374 7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.834 -19.173 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.500 -18.199 7.455 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.739 -20.764 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.158 -19.359 8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.369 -20.564 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.332 -22.176 5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.914 -22.111 6.611 1.00 0.00 H new ATOM 1598 N GLY A 103 -10.305 -15.754 4.107 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.763 -15.504 2.718 1.00 0.00 C ATOM 1600 C GLY A 103 -11.797 -14.366 2.545 1.00 0.00 C ATOM 1601 O GLY A 103 -12.820 -14.546 1.892 1.00 0.00 O ATOM 0 H GLY A 103 -9.374 -15.375 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.892 -15.275 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.195 -16.425 2.327 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.513 -13.190 3.108 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.347 -11.991 3.206 1.00 0.00 C ATOM 1607 C ALA A 104 -11.464 -10.737 3.402 1.00 0.00 C ATOM 1608 O ALA A 104 -10.927 -10.471 4.479 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.348 -12.201 4.351 1.00 0.00 C ATOM 0 H ALA A 104 -10.606 -13.039 3.549 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.906 -11.825 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.983 -11.320 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.967 -13.073 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.806 -12.359 5.283 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.289 -9.965 2.324 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.653 -8.635 2.357 1.00 0.00 C ATOM 1617 C VAL A 105 -11.481 -7.645 3.163 1.00 0.00 C ATOM 1618 O VAL A 105 -12.626 -7.353 2.814 1.00 0.00 O ATOM 1619 CB VAL A 105 -10.423 -8.055 0.951 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -10.009 -6.566 0.991 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -9.393 -8.894 0.186 1.00 0.00 C ATOM 0 H VAL A 105 -11.587 -10.246 1.390 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.684 -8.783 2.834 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.374 -8.102 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.858 -6.203 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.794 -5.983 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.082 -6.461 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.243 -8.469 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.448 -8.893 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.755 -9.918 0.091 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.810 -7.035 4.146 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.353 -5.938 4.958 1.00 0.00 C ATOM 1633 C GLN A 106 -10.846 -4.545 4.553 1.00 0.00 C ATOM 1634 O GLN A 106 -11.400 -3.573 5.042 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.110 -6.212 6.459 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.711 -5.798 6.953 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.498 -6.038 8.447 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -9.466 -7.151 8.955 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.295 -4.993 9.216 1.00 0.00 N ATOM 0 H GLN A 106 -9.858 -7.293 4.405 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.425 -5.916 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.862 -5.680 7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.252 -7.275 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.958 -6.352 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.556 -4.741 6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.316 -4.054 8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.116 -5.120 10.212 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.805 -4.433 3.706 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.102 -3.159 3.470 1.00 0.00 C ATOM 1650 C TYR A 107 -8.713 -2.481 4.815 1.00 0.00 C ATOM 1651 O TYR A 107 -9.308 -1.496 5.238 1.00 0.00 O ATOM 1652 CB TYR A 107 -9.956 -2.321 2.490 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.467 -0.903 2.295 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.189 -0.663 1.762 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.227 0.166 2.809 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.696 0.656 1.721 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.719 1.476 2.779 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.476 1.732 2.175 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.038 3.008 2.026 1.00 0.00 O ATOM 0 H TYR A 107 -9.431 -5.216 3.171 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.136 -3.300 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -9.975 -2.823 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.983 -2.292 2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.591 -1.481 1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.204 -0.022 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.705 0.842 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.283 2.285 3.219 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.256 3.525 2.830 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.721 -3.064 5.517 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.122 -2.505 6.741 1.00 0.00 C ATOM 1671 C CYS A 108 -6.637 -1.037 6.594 1.00 0.00 C ATOM 1672 O CYS A 108 -6.652 -0.275 7.558 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.959 -3.418 7.149 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.239 -2.886 8.703 1.00 0.00 S ATOM 0 H CYS A 108 -7.307 -3.955 5.242 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.895 -2.471 7.509 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.313 -4.445 7.241 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.197 -3.412 6.370 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.214 -0.657 5.391 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.906 0.707 4.953 1.00 0.00 C ATOM 1681 C GLY A 109 -4.788 0.680 3.917 1.00 0.00 C ATOM 1682 O GLY A 109 -4.384 -0.388 3.480 1.00 0.00 O ATOM 0 H GLY A 109 -6.067 -1.337 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.796 1.171 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.607 1.314 5.808 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.283 1.830 3.475 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.148 1.934 2.523 1.00 0.00 C ATOM 1688 C VAL A 110 -1.905 2.393 3.272 1.00 0.00 C ATOM 1689 O VAL A 110 -2.048 3.193 4.182 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.462 2.976 1.430 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.667 2.758 0.143 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.916 2.963 0.981 1.00 0.00 C ATOM 0 H VAL A 110 -4.647 2.737 3.765 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.985 0.958 2.066 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.199 3.915 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.935 3.524 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.600 2.820 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.898 1.774 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.066 3.720 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.163 1.981 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.562 3.178 1.832 1.00 0.00 H new ATOM 1702 N MET A 111 -0.697 1.941 2.937 1.00 0.00 N ATOM 1703 CA MET A 111 0.562 2.393 3.553 1.00 0.00 C ATOM 1704 C MET A 111 1.414 3.118 2.535 1.00 0.00 C ATOM 1705 O MET A 111 1.143 3.045 1.339 1.00 0.00 O ATOM 1706 CB MET A 111 1.353 1.251 4.233 1.00 0.00 C ATOM 1707 CG MET A 111 1.515 -0.038 3.410 1.00 0.00 C ATOM 1708 SD MET A 111 2.812 -0.173 2.158 1.00 0.00 S ATOM 1709 CE MET A 111 2.802 -2.002 2.102 1.00 0.00 C ATOM 0 H MET A 111 -0.557 1.235 2.214 1.00 0.00 H new ATOM 0 HA MET A 111 0.293 3.086 4.351 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.345 1.624 4.487 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.857 1.000 5.171 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.665 -0.854 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 111 0.564 -0.221 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.928 -2.335 1.072 1.00 0.00 H new ATOM 0 HE2 MET A 111 3.619 -2.389 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.853 -2.373 2.490 1.00 0.00 H new ATOM 1719 N THR A 112 2.445 3.803 3.020 1.00 0.00 N ATOM 1720 CA THR A 112 3.528 4.372 2.242 1.00 0.00 C ATOM 1721 C THR A 112 4.828 4.458 3.025 1.00 0.00 C ATOM 1722 O THR A 112 4.888 4.260 4.234 1.00 0.00 O ATOM 1723 CB THR A 112 3.125 5.756 1.734 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.938 6.012 0.607 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.093 6.906 2.762 1.00 0.00 C ATOM 0 H THR A 112 2.548 3.983 4.019 1.00 0.00 H new ATOM 0 HA THR A 112 3.710 3.705 1.399 1.00 0.00 H new ATOM 0 HB THR A 112 2.067 5.729 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.718 6.893 0.238 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.792 7.829 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.380 6.669 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.085 7.034 3.195 1.00 0.00 H new ATOM 1733 N HIS A 113 5.905 4.756 2.313 1.00 0.00 N ATOM 1734 CA HIS A 113 7.187 5.109 2.915 1.00 0.00 C ATOM 1735 C HIS A 113 7.296 6.584 3.291 1.00 0.00 C ATOM 1736 O HIS A 113 6.782 7.439 2.566 1.00 0.00 O ATOM 1737 CB HIS A 113 8.279 4.853 1.886 1.00 0.00 C ATOM 1738 CG HIS A 113 8.198 3.517 1.170 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.755 3.164 -0.052 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.558 2.419 1.658 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.436 1.883 -0.296 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.677 1.416 0.721 1.00 0.00 N ATOM 0 H HIS A 113 5.916 4.760 1.293 1.00 0.00 H new ATOM 0 HA HIS A 113 7.283 4.510 3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.246 5.648 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.247 4.922 2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.049 2.347 2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.737 1.317 -1.165 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.265 0.485 0.783 1.00 0.00 H new ATOM 1751 N SER A 114 8.178 6.854 4.266 1.00 0.00 N ATOM 1752 CA SER A 114 8.478 8.227 4.706 1.00 0.00 C ATOM 1753 C SER A 114 9.648 8.889 3.977 1.00 0.00 C ATOM 1754 O SER A 114 9.819 10.089 4.092 1.00 0.00 O ATOM 1755 CB SER A 114 8.825 8.269 6.202 1.00 0.00 C ATOM 1756 OG SER A 114 8.197 7.252 6.958 1.00 0.00 O ATOM 0 H SER A 114 8.699 6.135 4.768 1.00 0.00 H new ATOM 0 HA SER A 114 7.564 8.775 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.905 8.182 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.538 9.240 6.606 1.00 0.00 H new ATOM 0 HG SER A 114 8.460 7.334 7.898 1.00 0.00 H new ATOM 1762 N LYS A 115 10.469 8.149 3.221 1.00 0.00 N ATOM 1763 CA LYS A 115 11.569 8.758 2.443 1.00 0.00 C ATOM 1764 C LYS A 115 11.122 8.948 0.991 1.00 0.00 C ATOM 1765 O LYS A 115 11.449 8.107 0.153 1.00 0.00 O ATOM 1766 CB LYS A 115 12.894 7.989 2.664 1.00 0.00 C ATOM 1767 CG LYS A 115 14.165 8.757 2.254 1.00 0.00 C ATOM 1768 CD LYS A 115 14.302 8.997 0.744 1.00 0.00 C ATOM 1769 CE LYS A 115 15.723 9.457 0.355 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.058 10.787 0.952 1.00 0.00 N ATOM 0 H LYS A 115 10.398 7.136 3.128 1.00 0.00 H new ATOM 0 HA LYS A 115 11.799 9.762 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.972 7.723 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.854 7.056 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.174 9.720 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.037 8.204 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.059 8.079 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.579 9.750 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.449 8.716 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.802 9.515 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.043 11.031 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.423 11.512 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.942 10.743 1.985 1.00 0.00 H new ATOM 1784 N VAL A 116 10.417 10.029 0.664 1.00 0.00 N ATOM 1785 CA VAL A 116 10.006 10.339 -0.715 1.00 0.00 C ATOM 1786 C VAL A 116 10.658 11.640 -1.157 1.00 0.00 C ATOM 1787 O VAL A 116 10.352 12.671 -0.603 1.00 0.00 O ATOM 1788 CB VAL A 116 8.466 10.322 -0.893 1.00 0.00 C ATOM 1789 CG1 VAL A 116 7.642 10.974 0.219 1.00 0.00 C ATOM 1790 CG2 VAL A 116 8.019 10.976 -2.205 1.00 0.00 C ATOM 0 H VAL A 116 10.110 10.722 1.347 1.00 0.00 H new ATOM 0 HA VAL A 116 10.362 9.549 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 116 8.264 9.251 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.582 10.898 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 116 7.838 10.465 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 116 7.919 12.024 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.932 10.937 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.347 12.015 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.459 10.441 -3.047 1.00 0.00 H new ATOM 1800 N ASP A 117 11.562 11.591 -2.141 1.00 0.00 N ATOM 1801 CA ASP A 117 12.168 12.793 -2.737 1.00 0.00 C ATOM 1802 C ASP A 117 11.692 12.920 -4.202 1.00 0.00 C ATOM 1803 O ASP A 117 10.651 13.501 -4.489 1.00 0.00 O ATOM 1804 CB ASP A 117 13.710 12.743 -2.602 1.00 0.00 C ATOM 1805 CG ASP A 117 14.287 12.770 -1.198 1.00 0.00 C ATOM 1806 OD1 ASP A 117 14.455 11.618 -0.775 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.759 13.777 -0.654 1.00 0.00 O ATOM 0 H ASP A 117 11.896 10.718 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 117 11.846 13.688 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.063 11.837 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.124 13.587 -3.153 1.00 0.00 H new ATOM 1812 N LYS A 118 12.412 12.272 -5.131 1.00 0.00 N ATOM 1813 CA LYS A 118 12.147 12.276 -6.590 1.00 0.00 C ATOM 1814 C LYS A 118 11.470 10.976 -7.083 1.00 0.00 C ATOM 1815 O LYS A 118 10.378 10.960 -7.638 1.00 0.00 O ATOM 1816 CB LYS A 118 13.462 12.689 -7.311 1.00 0.00 C ATOM 1817 CG LYS A 118 14.359 11.527 -7.782 1.00 0.00 C ATOM 1818 CD LYS A 118 15.647 11.946 -8.512 1.00 0.00 C ATOM 1819 CE LYS A 118 16.726 10.856 -8.400 1.00 0.00 C ATOM 1820 NZ LYS A 118 17.232 10.749 -7.007 1.00 0.00 N ATOM 0 H LYS A 118 13.226 11.709 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 118 11.393 13.019 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.204 13.299 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.041 13.321 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.632 10.925 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.777 10.886 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.427 12.138 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.022 12.878 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.314 9.898 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 118 17.551 11.086 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.188 10.339 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.265 11.695 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.598 10.138 -6.453 1.00 0.00 H new ATOM 1834 N ASN A 119 12.114 9.855 -6.759 1.00 0.00 N ATOM 1835 CA ASN A 119 11.781 8.470 -7.116 1.00 0.00 C ATOM 1836 C ASN A 119 10.974 7.769 -6.010 1.00 0.00 C ATOM 1837 O ASN A 119 10.814 6.554 -6.043 1.00 0.00 O ATOM 1838 CB ASN A 119 13.101 7.724 -7.428 1.00 0.00 C ATOM 1839 CG ASN A 119 13.693 8.058 -8.790 1.00 0.00 C ATOM 1840 OD1 ASN A 119 13.030 8.508 -9.700 1.00 0.00 O ATOM 1841 ND2 ASN A 119 14.968 7.845 -9.010 1.00 0.00 N ATOM 0 H ASN A 119 12.959 9.893 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 119 11.139 8.464 -7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.833 7.963 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.921 6.650 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.370 8.057 -9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.557 7.467 -8.268 1.00 0.00 H new ATOM 1848 N ASN A 120 10.498 8.526 -5.007 1.00 0.00 N ATOM 1849 CA ASN A 120 9.604 8.038 -3.951 1.00 0.00 C ATOM 1850 C ASN A 120 10.105 6.723 -3.286 1.00 0.00 C ATOM 1851 O ASN A 120 9.325 5.863 -2.889 1.00 0.00 O ATOM 1852 CB ASN A 120 8.122 8.145 -4.423 1.00 0.00 C ATOM 1853 CG ASN A 120 7.807 7.950 -5.906 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.443 6.886 -6.387 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.854 9.013 -6.687 1.00 0.00 N ATOM 0 H ASN A 120 10.731 9.514 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 120 9.632 8.689 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.543 7.411 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.753 9.129 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.590 8.936 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.154 9.911 -6.308 1.00 0.00 H new ATOM 1862 N GLN A 121 11.443 6.610 -3.133 1.00 0.00 N ATOM 1863 CA GLN A 121 12.141 5.356 -2.819 1.00 0.00 C ATOM 1864 C GLN A 121 11.638 4.734 -1.520 1.00 0.00 C ATOM 1865 O GLN A 121 11.057 3.649 -1.519 1.00 0.00 O ATOM 1866 CB GLN A 121 13.669 5.561 -2.748 1.00 0.00 C ATOM 1867 CG GLN A 121 14.365 4.266 -2.277 1.00 0.00 C ATOM 1868 CD GLN A 121 15.848 4.244 -2.618 1.00 0.00 C ATOM 1869 OE1 GLN A 121 16.375 3.290 -3.141 1.00 0.00 O ATOM 1870 NE2 GLN A 121 16.609 5.291 -2.405 1.00 0.00 N ATOM 0 H GLN A 121 12.074 7.406 -3.227 1.00 0.00 H new ATOM 0 HA GLN A 121 11.920 4.666 -3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 121 14.049 5.850 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.901 6.376 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.242 4.163 -1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.877 3.407 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 121 16.218 6.125 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.592 5.271 -2.678 1.00 0.00 H new ATOM 1879 N GLY A 122 11.862 5.446 -0.413 1.00 0.00 N ATOM 1880 CA GLY A 122 11.367 5.044 0.884 1.00 0.00 C ATOM 1881 C GLY A 122 12.256 4.022 1.564 1.00 0.00 C ATOM 1882 O GLY A 122 12.536 2.972 1.003 1.00 0.00 O ATOM 0 H GLY A 122 12.393 6.317 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.279 5.923 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.365 4.630 0.772 1.00 0.00 H new ATOM 1886 N LYS A 123 12.707 4.362 2.769 1.00 0.00 N ATOM 1887 CA LYS A 123 13.569 3.513 3.607 1.00 0.00 C ATOM 1888 C LYS A 123 13.147 3.426 5.072 1.00 0.00 C ATOM 1889 O LYS A 123 13.453 2.440 5.723 1.00 0.00 O ATOM 1890 CB LYS A 123 15.029 3.988 3.542 1.00 0.00 C ATOM 1891 CG LYS A 123 15.233 5.421 4.091 1.00 0.00 C ATOM 1892 CD LYS A 123 16.646 5.655 4.642 1.00 0.00 C ATOM 1893 CE LYS A 123 17.663 5.814 3.514 1.00 0.00 C ATOM 1894 NZ LYS A 123 17.808 7.244 3.159 1.00 0.00 N ATOM 0 H LYS A 123 12.481 5.256 3.206 1.00 0.00 H new ATOM 0 HA LYS A 123 13.463 2.513 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.654 3.297 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.370 3.951 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.035 6.140 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.505 5.609 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.651 6.548 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.934 4.818 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.626 5.408 3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.342 5.245 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.750 7.406 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 17.079 7.505 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 17.697 7.827 4.013 1.00 0.00 H new ATOM 1908 N GLU A 124 12.531 4.485 5.598 1.00 0.00 N ATOM 1909 CA GLU A 124 11.946 4.513 6.934 1.00 0.00 C ATOM 1910 C GLU A 124 10.806 3.499 7.035 1.00 0.00 C ATOM 1911 O GLU A 124 10.331 2.971 6.019 1.00 0.00 O ATOM 1912 CB GLU A 124 11.449 5.945 7.222 1.00 0.00 C ATOM 1913 CG GLU A 124 12.534 6.877 7.783 1.00 0.00 C ATOM 1914 CD GLU A 124 11.924 8.193 8.327 1.00 0.00 C ATOM 1915 OE1 GLU A 124 11.688 9.136 7.531 1.00 0.00 O ATOM 1916 OE2 GLU A 124 11.708 8.279 9.551 1.00 0.00 O ATOM 0 H GLU A 124 12.424 5.365 5.094 1.00 0.00 H new ATOM 0 HA GLU A 124 12.694 4.237 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.055 6.375 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.622 5.897 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.076 6.368 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.259 7.106 7.001 1.00 0.00 H new ATOM 1923 N PHE A 125 10.380 3.258 8.276 1.00 0.00 N ATOM 1924 CA PHE A 125 9.273 2.369 8.587 1.00 0.00 C ATOM 1925 C PHE A 125 8.063 2.692 7.702 1.00 0.00 C ATOM 1926 O PHE A 125 7.815 3.836 7.317 1.00 0.00 O ATOM 1927 CB PHE A 125 8.948 2.425 10.090 1.00 0.00 C ATOM 1928 CG PHE A 125 7.912 3.470 10.492 1.00 0.00 C ATOM 1929 CD1 PHE A 125 8.233 4.844 10.527 1.00 0.00 C ATOM 1930 CD2 PHE A 125 6.576 3.072 10.703 1.00 0.00 C ATOM 1931 CE1 PHE A 125 7.234 5.796 10.799 1.00 0.00 C ATOM 1932 CE2 PHE A 125 5.579 4.025 10.971 1.00 0.00 C ATOM 1933 CZ PHE A 125 5.911 5.389 11.034 1.00 0.00 C ATOM 0 H PHE A 125 10.804 3.683 9.101 1.00 0.00 H new ATOM 0 HA PHE A 125 9.559 1.341 8.365 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.592 1.444 10.405 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.870 2.621 10.638 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.248 5.165 10.345 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.317 2.025 10.658 1.00 0.00 H new ATOM 0 HE1 PHE A 125 7.486 6.846 10.827 1.00 0.00 H new ATOM 0 HE2 PHE A 125 4.558 3.709 11.128 1.00 0.00 H new ATOM 0 HZ PHE A 125 5.151 6.122 11.262 1.00 0.00 H new ATOM 1943 N PHE A 126 7.321 1.656 7.344 1.00 0.00 N ATOM 1944 CA PHE A 126 6.133 1.824 6.525 1.00 0.00 C ATOM 1945 C PHE A 126 5.024 2.501 7.346 1.00 0.00 C ATOM 1946 O PHE A 126 4.563 2.009 8.378 1.00 0.00 O ATOM 1947 CB PHE A 126 5.747 0.462 5.964 1.00 0.00 C ATOM 1948 CG PHE A 126 6.452 -0.003 4.700 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.789 0.324 4.385 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.724 -0.818 3.821 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.385 -0.203 3.222 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.304 -1.310 2.641 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.662 -1.063 2.371 1.00 0.00 C ATOM 0 H PHE A 126 7.521 0.691 7.608 1.00 0.00 H new ATOM 0 HA PHE A 126 6.316 2.485 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.922 -0.283 6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.675 0.471 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.354 0.977 5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.701 -1.071 4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.406 0.055 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.708 -1.877 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.144 -1.526 1.523 1.00 0.00 H new ATOM 1963 N GLU A 127 4.602 3.676 6.914 1.00 0.00 N ATOM 1964 CA GLU A 127 3.534 4.441 7.532 1.00 0.00 C ATOM 1965 C GLU A 127 2.195 4.040 6.941 1.00 0.00 C ATOM 1966 O GLU A 127 1.994 4.101 5.731 1.00 0.00 O ATOM 1967 CB GLU A 127 3.728 5.938 7.322 1.00 0.00 C ATOM 1968 CG GLU A 127 5.155 6.352 7.646 1.00 0.00 C ATOM 1969 CD GLU A 127 5.104 7.800 8.104 1.00 0.00 C ATOM 1970 OE1 GLU A 127 4.734 8.635 7.254 1.00 0.00 O ATOM 1971 OE2 GLU A 127 5.318 8.037 9.314 1.00 0.00 O ATOM 0 H GLU A 127 5.005 4.138 6.099 1.00 0.00 H new ATOM 0 HA GLU A 127 3.556 4.227 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.496 6.197 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.033 6.491 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.574 5.715 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.795 6.247 6.770 1.00 0.00 H new ATOM 1978 N LYS A 128 1.238 3.680 7.792 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.168 3.600 7.422 1.00 0.00 C ATOM 1980 C LYS A 128 -0.710 5.024 7.114 1.00 0.00 C ATOM 1981 O LYS A 128 -0.628 5.917 7.971 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.918 2.772 8.480 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.861 3.219 9.949 1.00 0.00 C ATOM 1984 CD LYS A 128 0.262 2.659 10.844 1.00 0.00 C ATOM 1985 CE LYS A 128 0.115 3.191 12.269 1.00 0.00 C ATOM 1986 NZ LYS A 128 0.414 4.647 12.330 1.00 0.00 N ATOM 0 H LYS A 128 1.420 3.434 8.765 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.330 3.058 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.967 2.735 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.537 1.752 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.785 4.306 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.814 2.961 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.224 1.570 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.234 2.942 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.899 3.009 12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.788 2.650 12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.540 4.934 13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.286 4.845 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.375 5.181 11.913 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.120 5.212 5.850 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.947 6.320 5.350 1.00 0.00 C ATOM 2002 C CYS A 129 -3.279 6.379 6.135 1.00 0.00 C ATOM 2003 O CYS A 129 -3.754 5.329 6.570 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.228 6.024 3.862 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.367 7.401 2.696 1.00 0.00 S ATOM 0 H CYS A 129 -0.869 4.558 5.108 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.440 7.277 5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.434 5.369 3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.157 5.456 3.811 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.871 7.572 6.279 1.00 0.00 N ATOM 2011 CA ASP A 130 -5.092 7.947 7.038 1.00 0.00 C ATOM 2012 C ASP A 130 -5.756 9.155 6.323 1.00 0.00 C ATOM 2013 O ASP A 130 -5.004 9.917 5.658 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.666 8.219 8.519 1.00 0.00 C ATOM 2015 CG ASP A 130 -5.629 7.917 9.697 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -6.863 7.817 9.523 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -5.068 7.795 10.822 1.00 0.00 O ATOM 2018 OXT ASP A 130 -7.002 9.236 6.284 1.00 0.00 O ATOM 0 H ASP A 130 -3.471 8.391 5.822 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.844 7.158 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.754 7.649 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.401 9.274 8.586 1.00 0.00 H new