USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 943 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 NoAdj-H: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 109 CYS SG : rot -110:sc= 1.15 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0.0376 USER MOD Set 1.3: A 111 SER OG : rot 180:sc= 1.08 USER MOD Set 2.1: A 53 SER OG : rot -170:sc= 0.336 USER MOD Set 2.2: A 68 ASN : amide:sc= 0.866 K(o=1.2,f=-4.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.253! C(o=-0.25!,f=-4.6!) USER MOD Single : A 18 ASN : amide:sc= -1.18! C(o=-1.2!,f=-3.2!) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0695 (180deg=-0.331) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0.996 (180deg=0.863) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0465 F(o=-0.68,f=-0.046) USER MOD Single : A 32 GLN : amide:sc= 0.564 K(o=0.56,f=-4.6!) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0378 F(o=-0.85,f=-0.038) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc=-0.000408 (180deg=-0.066) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.23) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc=-0.00442 (180deg=-0.0544) USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.317) USER MOD Single : A 62 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.5!) USER MOD Single : A 63 GLN : amide:sc= -2.15! C(o=-2.2!,f=-13!) USER MOD Single : A 69 SER OG : rot -94:sc= 1.5 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.711 F(o=-2.9!,f=-0.71) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.16) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 40:sc= 0.295 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= 0.174 USER MOD Single : A 91 SER OG : rot -154:sc= 0.965 USER MOD Single : A 94 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.75) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 50:sc= -0.245 USER MOD Single : A 104 ASN : amide:sc= -4.81! C(o=-4.8!,f=-6.4!) USER MOD Single : A 107 GLN : amide:sc= -1.74 K(o=-1.7,f=-3) USER MOD Single : A 108 TYR OH : rot -143:sc= -0.0437 USER MOD Single : A 112 ASN : amide:sc= 0.0917 K(o=0.092,f=-5.5!) USER MOD Single : A 113 GLN :FLIP amide:sc= -0.213 F(o=-2.7!,f=-0.21) USER MOD Single : A 116 GLN :FLIP amide:sc= -0.167 F(o=-2.5!,f=-0.17) USER MOD Single : A 120 TYR OH : rot -15:sc= -3.21! USER MOD Single : A 123 LYS NZ :NH3+ -162:sc= -0.0689 (180deg=-0.428) USER MOD Single : A 124 GLN : amide:sc= 0.107 K(o=0.11,f=-0.93) USER MOD Single : A 126 SER OG : rot 81:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 10.072 -20.948 -3.606 1.00 0.00 N ATOM 2 CA PRO A 5 9.321 -21.649 -4.643 1.00 0.00 C ATOM 3 C PRO A 5 8.392 -20.685 -5.367 1.00 0.00 C ATOM 4 O PRO A 5 8.449 -20.535 -6.599 1.00 0.00 O ATOM 5 CB PRO A 5 8.520 -22.706 -3.859 1.00 0.00 C ATOM 6 CG PRO A 5 8.473 -22.198 -2.451 1.00 0.00 C ATOM 7 CD PRO A 5 9.725 -21.419 -2.243 1.00 0.00 C ATOM 0 HA PRO A 5 9.957 -22.090 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.517 -22.824 -4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.002 -23.682 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.595 -21.571 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.407 -23.024 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.570 -20.585 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.516 -22.037 -1.819 1.00 0.00 H new ATOM 15 N VAL A 6 7.610 -20.000 -4.583 1.00 0.00 N ATOM 16 CA VAL A 6 6.622 -19.084 -4.996 1.00 0.00 C ATOM 17 C VAL A 6 6.046 -18.558 -3.682 1.00 0.00 C ATOM 18 O VAL A 6 6.447 -19.055 -2.618 1.00 0.00 O ATOM 19 CB VAL A 6 5.531 -19.821 -5.844 1.00 0.00 C ATOM 20 CG1 VAL A 6 4.718 -20.813 -5.019 1.00 0.00 C ATOM 21 CG2 VAL A 6 4.649 -18.850 -6.579 1.00 0.00 C ATOM 0 H VAL A 6 7.662 -20.084 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 6 7.006 -18.283 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 6 6.064 -20.408 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.977 -21.295 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.383 -21.569 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.213 -20.285 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.905 -19.399 -7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.146 -18.201 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.256 -18.245 -7.252 1.00 0.00 H new ATOM 31 N CYS A 7 5.164 -17.597 -3.705 1.00 0.00 N ATOM 32 CA CYS A 7 4.613 -17.137 -2.490 1.00 0.00 C ATOM 33 C CYS A 7 3.322 -17.881 -2.199 1.00 0.00 C ATOM 34 O CYS A 7 2.438 -17.973 -3.031 1.00 0.00 O ATOM 35 CB CYS A 7 4.391 -15.634 -2.481 1.00 0.00 C ATOM 36 SG CYS A 7 3.716 -15.011 -0.919 1.00 0.00 S ATOM 0 H CYS A 7 4.824 -17.131 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 7 5.335 -17.343 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.338 -15.134 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.712 -15.370 -3.292 1.00 0.00 H new ATOM 41 N ARG A 8 3.254 -18.409 -1.022 1.00 0.00 N ATOM 42 CA ARG A 8 2.122 -19.145 -0.533 1.00 0.00 C ATOM 43 C ARG A 8 1.407 -18.348 0.518 1.00 0.00 C ATOM 44 O ARG A 8 0.473 -18.812 1.155 1.00 0.00 O ATOM 45 CB ARG A 8 2.603 -20.464 0.060 1.00 0.00 C ATOM 46 CG ARG A 8 3.255 -21.375 -0.955 1.00 0.00 C ATOM 47 CD ARG A 8 2.277 -21.706 -2.056 1.00 0.00 C ATOM 48 NE ARG A 8 1.086 -22.402 -1.532 1.00 0.00 N ATOM 49 CZ ARG A 8 -0.037 -22.642 -2.214 1.00 0.00 C ATOM 50 NH1 ARG A 8 -0.140 -22.278 -3.488 1.00 0.00 N ATOM 51 NH2 ARG A 8 -1.055 -23.255 -1.620 1.00 0.00 N ATOM 0 H ARG A 8 4.012 -18.340 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 8 1.434 -19.341 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.313 -20.257 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.756 -20.981 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.138 -20.893 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.593 -22.291 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.971 -20.789 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.766 -22.332 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 8 1.124 -22.728 -0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.641 -21.813 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.000 -22.464 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.978 -23.542 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.913 -23.439 -2.140 1.00 0.00 H new ATOM 65 N HIS A 9 1.794 -17.101 0.640 1.00 0.00 N ATOM 66 CA HIS A 9 1.240 -16.213 1.675 1.00 0.00 C ATOM 67 C HIS A 9 0.061 -15.476 1.157 1.00 0.00 C ATOM 68 O HIS A 9 -0.504 -14.676 1.846 1.00 0.00 O ATOM 69 CB HIS A 9 2.263 -15.193 2.187 1.00 0.00 C ATOM 70 CG HIS A 9 3.384 -15.786 2.955 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.665 -15.686 2.517 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.361 -16.447 4.135 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.412 -16.291 3.431 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.653 -16.765 4.433 1.00 0.00 N ATOM 0 H HIS A 9 2.493 -16.662 0.040 1.00 0.00 H new ATOM 0 HA HIS A 9 0.952 -16.859 2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.670 -14.646 1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.750 -14.467 2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.488 -16.678 4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.486 -16.389 3.377 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.980 -17.267 5.259 1.00 0.00 H new ATOM 82 N ILE A 10 -0.291 -15.771 -0.067 1.00 0.00 N ATOM 83 CA ILE A 10 -1.461 -15.215 -0.755 1.00 0.00 C ATOM 84 C ILE A 10 -2.694 -15.512 0.063 1.00 0.00 C ATOM 85 O ILE A 10 -3.579 -14.682 0.218 1.00 0.00 O ATOM 86 CB ILE A 10 -1.572 -15.872 -2.136 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.232 -15.691 -2.850 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.751 -15.311 -2.931 1.00 0.00 C ATOM 89 CD1 ILE A 10 -0.191 -16.133 -4.290 1.00 0.00 C ATOM 0 H ILE A 10 0.237 -16.425 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.362 -14.136 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.779 -16.937 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.043 -14.637 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.529 -16.243 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.799 -15.799 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.677 -15.495 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.619 -14.238 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.806 -15.959 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.427 -17.195 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.922 -15.565 -4.866 1.00 0.00 H new ATOM 101 N ARG A 11 -2.684 -16.672 0.613 1.00 0.00 N ATOM 102 CA ARG A 11 -3.723 -17.150 1.532 1.00 0.00 C ATOM 103 C ARG A 11 -3.997 -16.137 2.684 1.00 0.00 C ATOM 104 O ARG A 11 -5.141 -15.792 2.964 1.00 0.00 O ATOM 105 CB ARG A 11 -3.277 -18.488 2.126 1.00 0.00 C ATOM 106 CG ARG A 11 -3.124 -19.595 1.093 1.00 0.00 C ATOM 107 CD ARG A 11 -2.527 -20.854 1.704 1.00 0.00 C ATOM 108 NE ARG A 11 -3.360 -21.410 2.790 1.00 0.00 N ATOM 109 CZ ARG A 11 -2.987 -22.381 3.659 1.00 0.00 C ATOM 110 NH1 ARG A 11 -1.772 -22.900 3.617 1.00 0.00 N ATOM 111 NH2 ARG A 11 -3.839 -22.803 4.585 1.00 0.00 N ATOM 0 H ARG A 11 -1.944 -17.355 0.449 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.649 -17.264 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.326 -18.348 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.002 -18.802 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.097 -19.826 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.488 -19.248 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.402 -21.607 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.534 -20.629 2.092 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.300 -21.029 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.100 -22.570 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.506 -23.630 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.773 -22.397 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.560 -23.534 5.240 1.00 0.00 H new ATOM 125 N LYS A 12 -2.929 -15.638 3.311 1.00 0.00 N ATOM 126 CA LYS A 12 -3.054 -14.728 4.459 1.00 0.00 C ATOM 127 C LYS A 12 -2.731 -13.292 4.061 1.00 0.00 C ATOM 128 O LYS A 12 -2.675 -12.388 4.904 1.00 0.00 O ATOM 129 CB LYS A 12 -2.062 -15.151 5.548 1.00 0.00 C ATOM 130 CG LYS A 12 -2.221 -16.588 5.996 1.00 0.00 C ATOM 131 CD LYS A 12 -1.252 -16.958 7.110 1.00 0.00 C ATOM 132 CE LYS A 12 0.212 -16.837 6.694 1.00 0.00 C ATOM 133 NZ LYS A 12 1.121 -17.286 7.767 1.00 0.00 N ATOM 0 H LYS A 12 -1.967 -15.847 3.045 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.081 -14.779 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.047 -15.006 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.183 -14.496 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.243 -16.748 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.063 -17.251 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.434 -16.314 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.449 -17.981 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.386 -17.431 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.434 -15.801 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.107 -17.190 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.972 -16.703 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.926 -18.282 7.993 1.00 0.00 H new ATOM 147 N GLY A 13 -2.492 -13.099 2.795 1.00 0.00 N ATOM 148 CA GLY A 13 -2.038 -11.838 2.305 1.00 0.00 C ATOM 149 C GLY A 13 -2.964 -11.221 1.327 1.00 0.00 C ATOM 150 O GLY A 13 -2.740 -10.107 0.911 1.00 0.00 O ATOM 0 H GLY A 13 -2.608 -13.814 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.902 -11.157 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.061 -11.968 1.838 1.00 0.00 H new ATOM 154 N LEU A 14 -3.978 -11.935 0.930 1.00 0.00 N ATOM 155 CA LEU A 14 -4.929 -11.405 0.011 1.00 0.00 C ATOM 156 C LEU A 14 -6.311 -11.704 0.529 1.00 0.00 C ATOM 157 O LEU A 14 -6.649 -12.870 0.744 1.00 0.00 O ATOM 158 CB LEU A 14 -4.702 -12.051 -1.342 1.00 0.00 C ATOM 159 CG LEU A 14 -4.935 -11.172 -2.541 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.209 -11.717 -3.724 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.385 -11.063 -2.865 1.00 0.00 C ATOM 0 H LEU A 14 -4.163 -12.891 1.234 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.820 -10.326 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.676 -12.418 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.355 -12.920 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.559 -10.178 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.384 -11.074 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.141 -11.754 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.571 -12.722 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.516 -10.421 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.785 -12.054 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.916 -10.635 -2.015 1.00 0.00 H new ATOM 173 N GLU A 15 -7.094 -10.685 0.782 1.00 0.00 N ATOM 174 CA GLU A 15 -8.441 -10.917 1.243 1.00 0.00 C ATOM 175 C GLU A 15 -9.379 -10.142 0.333 1.00 0.00 C ATOM 176 O GLU A 15 -9.702 -8.996 0.591 1.00 0.00 O ATOM 177 CB GLU A 15 -8.617 -10.536 2.702 1.00 0.00 C ATOM 178 CG GLU A 15 -9.732 -11.260 3.399 1.00 0.00 C ATOM 179 CD GLU A 15 -11.082 -11.019 2.774 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.701 -9.997 3.061 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.511 -11.839 1.932 1.00 0.00 O ATOM 0 H GLU A 15 -6.830 -9.705 0.680 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.672 -11.981 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.685 -10.732 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.800 -9.463 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.522 -12.330 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.762 -10.948 4.443 1.00 0.00 H new ATOM 188 N GLN A 16 -9.801 -10.786 -0.709 1.00 0.00 N ATOM 189 CA GLN A 16 -10.564 -10.175 -1.780 1.00 0.00 C ATOM 190 C GLN A 16 -11.819 -9.455 -1.287 1.00 0.00 C ATOM 191 O GLN A 16 -12.154 -8.391 -1.786 1.00 0.00 O ATOM 192 CB GLN A 16 -10.961 -11.225 -2.834 1.00 0.00 C ATOM 193 CG GLN A 16 -9.855 -12.230 -3.170 1.00 0.00 C ATOM 194 CD GLN A 16 -9.868 -13.420 -2.237 1.00 0.00 C ATOM 195 OE1 GLN A 16 -9.231 -13.414 -1.186 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.588 -14.428 -2.604 1.00 0.00 N ATOM 0 H GLN A 16 -9.625 -11.780 -0.853 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.909 -9.426 -2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.834 -11.770 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.259 -10.711 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.977 -12.573 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.886 -11.735 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.102 -14.394 -3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.642 -15.258 -2.013 1.00 0.00 H new ATOM 205 N GLY A 17 -12.465 -10.020 -0.269 1.00 0.00 N ATOM 206 CA GLY A 17 -13.704 -9.475 0.247 1.00 0.00 C ATOM 207 C GLY A 17 -13.571 -8.058 0.753 1.00 0.00 C ATOM 208 O GLY A 17 -14.331 -7.160 0.330 1.00 0.00 O ATOM 0 H GLY A 17 -12.143 -10.860 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.460 -9.503 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.062 -10.110 1.057 1.00 0.00 H new ATOM 212 N ASN A 18 -12.602 -7.826 1.624 1.00 0.00 N ATOM 213 CA ASN A 18 -12.427 -6.497 2.201 1.00 0.00 C ATOM 214 C ASN A 18 -11.733 -5.540 1.218 1.00 0.00 C ATOM 215 O ASN A 18 -11.868 -4.323 1.337 1.00 0.00 O ATOM 216 CB ASN A 18 -11.719 -6.521 3.592 1.00 0.00 C ATOM 217 CG ASN A 18 -10.222 -6.585 3.600 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.576 -5.997 4.471 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.655 -7.321 2.744 1.00 0.00 N ATOM 0 H ASN A 18 -11.933 -8.526 1.945 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.429 -6.109 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.021 -5.629 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.096 -7.379 4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.642 -7.439 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.210 -7.797 2.033 1.00 0.00 H new ATOM 226 N LEU A 19 -11.047 -6.111 0.219 1.00 0.00 N ATOM 227 CA LEU A 19 -10.358 -5.334 -0.835 1.00 0.00 C ATOM 228 C LEU A 19 -11.319 -4.421 -1.518 1.00 0.00 C ATOM 229 O LEU A 19 -11.133 -3.209 -1.510 1.00 0.00 O ATOM 230 CB LEU A 19 -9.716 -6.267 -1.876 1.00 0.00 C ATOM 231 CG LEU A 19 -8.257 -6.694 -1.677 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.320 -5.710 -2.312 1.00 0.00 C ATOM 233 CD2 LEU A 19 -7.906 -6.800 -0.236 1.00 0.00 C ATOM 0 H LEU A 19 -10.951 -7.121 0.113 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.574 -4.746 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.322 -7.172 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.789 -5.779 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.154 -7.672 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.291 -6.035 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.525 -5.650 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.462 -4.728 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.864 -7.105 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.048 -5.832 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.548 -7.541 0.241 1.00 0.00 H new ATOM 245 N LYS A 20 -12.403 -4.989 -2.014 1.00 0.00 N ATOM 246 CA LYS A 20 -13.421 -4.225 -2.736 1.00 0.00 C ATOM 247 C LYS A 20 -13.936 -3.063 -1.893 1.00 0.00 C ATOM 248 O LYS A 20 -14.072 -1.935 -2.381 1.00 0.00 O ATOM 249 CB LYS A 20 -14.607 -5.110 -3.165 1.00 0.00 C ATOM 250 CG LYS A 20 -14.402 -6.013 -4.380 1.00 0.00 C ATOM 251 CD LYS A 20 -13.350 -7.078 -4.171 1.00 0.00 C ATOM 252 CE LYS A 20 -13.200 -7.969 -5.394 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.451 -8.673 -5.721 1.00 0.00 N ATOM 0 H LYS A 20 -12.608 -5.985 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.940 -3.834 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.882 -5.740 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.458 -4.459 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.348 -6.493 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.121 -5.399 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.394 -6.606 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.616 -7.687 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.891 -7.365 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.410 -8.698 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.250 -9.448 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.868 -9.062 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.120 -8.007 -6.158 1.00 0.00 H new ATOM 267 N LYS A 21 -14.089 -3.313 -0.611 1.00 0.00 N ATOM 268 CA LYS A 21 -14.696 -2.369 0.290 1.00 0.00 C ATOM 269 C LYS A 21 -13.752 -1.205 0.544 1.00 0.00 C ATOM 270 O LYS A 21 -14.181 -0.040 0.634 1.00 0.00 O ATOM 271 CB LYS A 21 -15.029 -3.061 1.601 1.00 0.00 C ATOM 272 CG LYS A 21 -15.723 -4.402 1.435 1.00 0.00 C ATOM 273 CD LYS A 21 -17.109 -4.270 0.842 1.00 0.00 C ATOM 274 CE LYS A 21 -17.760 -5.636 0.654 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.020 -6.483 -0.317 1.00 0.00 N ATOM 0 H LYS A 21 -13.793 -4.182 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.612 -1.985 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.109 -3.208 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.666 -2.405 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.117 -5.044 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.792 -4.894 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.729 -3.655 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.049 -3.757 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.810 -6.148 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.786 -5.503 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.576 -7.336 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.861 -5.947 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.104 -6.759 0.091 1.00 0.00 H new ATOM 289 N ALA A 22 -12.478 -1.503 0.608 1.00 0.00 N ATOM 290 CA ALA A 22 -11.504 -0.499 0.914 1.00 0.00 C ATOM 291 C ALA A 22 -11.202 0.361 -0.291 1.00 0.00 C ATOM 292 O ALA A 22 -11.076 1.579 -0.174 1.00 0.00 O ATOM 293 CB ALA A 22 -10.247 -1.137 1.446 1.00 0.00 C ATOM 0 H ALA A 22 -12.096 -2.436 0.451 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.918 0.151 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.515 -0.363 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.478 -1.697 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.837 -1.814 0.696 1.00 0.00 H new ATOM 299 N LEU A 23 -11.178 -0.252 -1.464 1.00 0.00 N ATOM 300 CA LEU A 23 -10.814 0.449 -2.686 1.00 0.00 C ATOM 301 C LEU A 23 -11.945 1.372 -3.133 1.00 0.00 C ATOM 302 O LEU A 23 -11.794 2.174 -4.054 1.00 0.00 O ATOM 303 CB LEU A 23 -10.447 -0.525 -3.791 1.00 0.00 C ATOM 304 CG LEU A 23 -9.535 -1.705 -3.389 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.112 -2.502 -4.584 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.331 -1.297 -2.532 1.00 0.00 C ATOM 0 H LEU A 23 -11.407 -1.237 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.935 1.058 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.368 -0.932 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.954 0.032 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.146 -2.342 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.471 -3.324 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.993 -2.902 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.563 -1.861 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.740 -2.180 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.715 -0.588 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.681 -0.832 -1.610 1.00 0.00 H new ATOM 318 N VAL A 24 -13.082 1.223 -2.490 1.00 0.00 N ATOM 319 CA VAL A 24 -14.219 2.129 -2.689 1.00 0.00 C ATOM 320 C VAL A 24 -13.889 3.516 -2.134 1.00 0.00 C ATOM 321 O VAL A 24 -14.016 4.525 -2.811 1.00 0.00 O ATOM 322 CB VAL A 24 -15.505 1.617 -1.963 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.615 2.648 -2.014 1.00 0.00 C ATOM 324 CG2 VAL A 24 -15.989 0.332 -2.566 1.00 0.00 C ATOM 0 H VAL A 24 -13.256 0.478 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.406 2.172 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.236 1.442 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.495 2.261 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.283 3.564 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.866 2.861 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.885 -0.001 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.222 0.489 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.212 -0.427 -2.476 1.00 0.00 H new ATOM 334 N ASN A 25 -13.399 3.533 -0.916 1.00 0.00 N ATOM 335 CA ASN A 25 -13.187 4.780 -0.179 1.00 0.00 C ATOM 336 C ASN A 25 -11.740 5.194 -0.231 1.00 0.00 C ATOM 337 O ASN A 25 -11.322 6.143 0.436 1.00 0.00 O ATOM 338 CB ASN A 25 -13.605 4.596 1.291 1.00 0.00 C ATOM 339 CG ASN A 25 -15.087 4.317 1.468 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.887 5.232 1.630 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.469 3.058 1.468 1.00 0.00 N ATOM 0 H ASN A 25 -13.134 2.693 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.794 5.557 -0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.034 3.774 1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.343 5.494 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.452 2.823 1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.782 2.317 1.331 1.00 0.00 H new ATOM 348 N VAL A 26 -10.988 4.492 -1.021 1.00 0.00 N ATOM 349 CA VAL A 26 -9.582 4.680 -1.118 1.00 0.00 C ATOM 350 C VAL A 26 -9.227 5.921 -1.951 1.00 0.00 C ATOM 351 O VAL A 26 -10.052 6.448 -2.719 1.00 0.00 O ATOM 352 CB VAL A 26 -8.994 3.421 -1.748 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.966 3.393 -3.230 1.00 0.00 C ATOM 354 CG2 VAL A 26 -7.763 2.933 -1.108 1.00 0.00 C ATOM 0 H VAL A 26 -11.348 3.756 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.165 4.848 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.742 2.666 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.529 2.454 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.982 3.479 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.367 4.226 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.417 2.036 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.994 3.703 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.965 2.698 -0.063 1.00 0.00 H new ATOM 364 N GLU A 27 -8.024 6.376 -1.782 1.00 0.00 N ATOM 365 CA GLU A 27 -7.504 7.483 -2.510 1.00 0.00 C ATOM 366 C GLU A 27 -6.379 6.954 -3.337 1.00 0.00 C ATOM 367 O GLU A 27 -5.304 6.755 -2.842 1.00 0.00 O ATOM 368 CB GLU A 27 -6.931 8.458 -1.562 1.00 0.00 C ATOM 369 CG GLU A 27 -6.813 9.809 -2.110 1.00 0.00 C ATOM 370 CD GLU A 27 -8.132 10.521 -2.142 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.623 10.914 -1.072 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.723 10.666 -3.225 1.00 0.00 O ATOM 0 H GLU A 27 -7.363 5.975 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.281 7.955 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.553 8.491 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.945 8.114 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.106 10.383 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.405 9.756 -3.120 1.00 0.00 H new ATOM 379 N TRP A 28 -6.625 6.724 -4.547 1.00 0.00 N ATOM 380 CA TRP A 28 -5.678 6.029 -5.394 1.00 0.00 C ATOM 381 C TRP A 28 -4.395 6.723 -5.632 1.00 0.00 C ATOM 382 O TRP A 28 -4.355 7.905 -5.943 1.00 0.00 O ATOM 383 CB TRP A 28 -6.299 5.559 -6.662 1.00 0.00 C ATOM 384 CG TRP A 28 -7.031 4.309 -6.480 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.336 4.095 -6.673 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.476 3.084 -6.036 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.640 2.799 -6.394 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.503 2.157 -6.006 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.194 2.682 -5.671 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.304 0.861 -5.628 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.999 1.391 -5.287 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.049 0.495 -5.275 1.00 0.00 C ATOM 0 H TRP A 28 -7.487 7.001 -5.016 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.398 5.156 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.977 6.325 -7.040 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.524 5.419 -7.416 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.044 4.841 -7.002 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.566 2.378 -6.464 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.371 3.381 -5.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.119 0.152 -5.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.014 1.065 -4.989 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.864 -0.526 -4.976 1.00 0.00 H new ATOM 403 N ASN A 29 -3.339 5.946 -5.399 1.00 0.00 N ATOM 404 CA ASN A 29 -1.954 6.316 -5.604 1.00 0.00 C ATOM 405 C ASN A 29 -1.544 7.345 -4.590 1.00 0.00 C ATOM 406 O ASN A 29 -0.516 8.015 -4.721 1.00 0.00 O ATOM 407 CB ASN A 29 -1.727 6.779 -7.028 1.00 0.00 C ATOM 408 CG ASN A 29 -0.427 6.275 -7.632 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.563 6.039 -6.824 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 -0.336 6.080 -8.839 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.439 4.995 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.320 5.442 -5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.559 6.444 -7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.730 7.869 -7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.130 6.275 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.534 5.723 -9.234 1.00 0.00 H new ATOM 417 N ILE A 30 -2.320 7.401 -3.543 1.00 0.00 N ATOM 418 CA ILE A 30 -2.104 8.285 -2.459 1.00 0.00 C ATOM 419 C ILE A 30 -2.130 7.460 -1.215 1.00 0.00 C ATOM 420 O ILE A 30 -3.150 6.851 -0.896 1.00 0.00 O ATOM 421 CB ILE A 30 -3.214 9.382 -2.334 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.368 10.177 -3.645 1.00 0.00 C ATOM 423 CG2 ILE A 30 -2.970 10.293 -1.127 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.168 11.469 -3.539 1.00 0.00 C ATOM 0 H ILE A 30 -3.143 6.809 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.156 8.799 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.163 8.876 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.374 10.416 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.845 9.535 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.760 11.042 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.971 9.696 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.006 10.789 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.215 11.949 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.178 11.244 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.684 12.139 -2.829 1.00 0.00 H new ATOM 436 N CYS A 31 -1.005 7.342 -0.576 1.00 0.00 N ATOM 437 CA CYS A 31 -0.956 6.718 0.707 1.00 0.00 C ATOM 438 C CYS A 31 -1.893 7.443 1.663 1.00 0.00 C ATOM 439 O CYS A 31 -1.635 8.555 2.111 1.00 0.00 O ATOM 440 CB CYS A 31 0.482 6.605 1.246 1.00 0.00 C ATOM 441 SG CYS A 31 0.637 6.225 2.989 1.00 0.00 S ATOM 0 H CYS A 31 -0.106 7.672 -0.926 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.304 5.690 0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.002 5.834 0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.997 7.546 1.052 1.00 0.00 H new ATOM 446 N GLN A 32 -2.988 6.787 1.923 1.00 0.00 N ATOM 447 CA GLN A 32 -4.085 7.259 2.791 1.00 0.00 C ATOM 448 C GLN A 32 -3.533 7.509 4.139 1.00 0.00 C ATOM 449 O GLN A 32 -3.922 8.422 4.848 1.00 0.00 O ATOM 450 CB GLN A 32 -5.060 6.129 2.946 1.00 0.00 C ATOM 451 CG GLN A 32 -5.505 5.550 1.677 1.00 0.00 C ATOM 452 CD GLN A 32 -6.365 4.377 1.936 1.00 0.00 C ATOM 453 OE1 GLN A 32 -5.882 3.249 2.004 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.617 4.622 2.137 1.00 0.00 N ATOM 0 H GLN A 32 -3.171 5.864 1.529 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.546 8.152 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.601 5.346 3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.931 6.486 3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.054 6.294 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.643 5.255 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.967 5.578 2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.256 3.860 2.364 1.00 0.00 H new ATOM 463 N ASP A 33 -2.617 6.687 4.471 1.00 0.00 N ATOM 464 CA ASP A 33 -1.987 6.753 5.756 1.00 0.00 C ATOM 465 C ASP A 33 -1.097 8.011 5.895 1.00 0.00 C ATOM 466 O ASP A 33 -0.703 8.358 6.971 1.00 0.00 O ATOM 467 CB ASP A 33 -1.236 5.477 6.056 1.00 0.00 C ATOM 468 CG ASP A 33 -1.048 5.287 7.533 1.00 0.00 C ATOM 469 OD1 ASP A 33 -2.067 5.215 8.264 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.084 5.176 7.987 1.00 0.00 O ATOM 0 H ASP A 33 -2.271 5.941 3.867 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.769 6.849 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.781 4.627 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.264 5.501 5.564 1.00 0.00 H new ATOM 475 N CYS A 34 -0.773 8.678 4.764 1.00 0.00 N ATOM 476 CA CYS A 34 -0.119 9.948 4.774 1.00 0.00 C ATOM 477 C CYS A 34 -1.153 11.053 4.930 1.00 0.00 C ATOM 478 O CYS A 34 -0.937 12.071 5.581 1.00 0.00 O ATOM 479 CB CYS A 34 0.589 10.162 3.449 1.00 0.00 C ATOM 480 SG CYS A 34 2.281 9.570 3.266 1.00 0.00 S ATOM 0 H CYS A 34 -0.971 8.324 3.828 1.00 0.00 H new ATOM 0 HA CYS A 34 0.593 9.971 5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.012 9.689 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.589 11.232 3.244 1.00 0.00 H new ATOM 485 N LYS A 35 -2.278 10.787 4.366 1.00 0.00 N ATOM 486 CA LYS A 35 -3.321 11.671 4.174 1.00 0.00 C ATOM 487 C LYS A 35 -4.040 11.950 5.472 1.00 0.00 C ATOM 488 O LYS A 35 -4.386 13.085 5.778 1.00 0.00 O ATOM 489 CB LYS A 35 -4.190 10.946 3.233 1.00 0.00 C ATOM 490 CG LYS A 35 -5.328 11.683 2.783 1.00 0.00 C ATOM 491 CD LYS A 35 -6.277 10.813 2.035 1.00 0.00 C ATOM 492 CE LYS A 35 -7.626 11.318 2.322 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.685 10.659 1.543 1.00 0.00 N ATOM 0 H LYS A 35 -2.488 9.857 4.003 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.001 12.645 3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.598 10.652 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.534 10.028 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.837 12.128 3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.003 12.503 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.071 10.845 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.178 9.773 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.834 11.187 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.653 12.389 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.602 10.802 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.718 11.068 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.485 9.641 1.477 1.00 0.00 H new ATOM 507 N THR A 36 -4.252 10.924 6.229 1.00 0.00 N ATOM 508 CA THR A 36 -4.878 11.060 7.484 1.00 0.00 C ATOM 509 C THR A 36 -3.861 10.884 8.578 1.00 0.00 C ATOM 510 O THR A 36 -4.201 10.556 9.725 1.00 0.00 O ATOM 511 CB THR A 36 -6.065 10.083 7.628 1.00 0.00 C ATOM 512 OG1 THR A 36 -5.728 8.782 7.087 1.00 0.00 O ATOM 513 CG2 THR A 36 -7.290 10.633 6.935 1.00 0.00 C ATOM 0 H THR A 36 -3.992 9.968 5.985 1.00 0.00 H new ATOM 0 HA THR A 36 -5.295 12.064 7.567 1.00 0.00 H new ATOM 0 HB THR A 36 -6.284 9.970 8.690 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.492 8.177 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.117 9.932 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.562 11.589 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.076 10.776 5.876 1.00 0.00 H new ATOM 521 N ASP A 37 -2.600 11.117 8.226 1.00 0.00 N ATOM 522 CA ASP A 37 -1.536 11.010 9.198 1.00 0.00 C ATOM 523 C ASP A 37 -1.576 12.195 10.116 1.00 0.00 C ATOM 524 O ASP A 37 -1.149 13.303 9.783 1.00 0.00 O ATOM 525 CB ASP A 37 -0.135 10.894 8.606 1.00 0.00 C ATOM 526 CG ASP A 37 0.870 10.421 9.659 1.00 0.00 C ATOM 527 OD1 ASP A 37 0.891 10.957 10.761 1.00 0.00 O ATOM 528 OD2 ASP A 37 1.601 9.451 9.404 1.00 0.00 O ATOM 0 H ASP A 37 -2.300 11.377 7.286 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.720 10.076 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.147 10.195 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.177 11.860 8.209 1.00 0.00 H new ATOM 533 N ASN A 38 -2.183 11.975 11.207 1.00 0.00 N ATOM 534 CA ASN A 38 -2.239 12.958 12.287 1.00 0.00 C ATOM 535 C ASN A 38 -1.226 12.580 13.364 1.00 0.00 C ATOM 536 O ASN A 38 -1.114 13.228 14.417 1.00 0.00 O ATOM 537 CB ASN A 38 -3.611 12.925 12.891 1.00 0.00 C ATOM 538 CG ASN A 38 -3.959 14.162 13.730 1.00 0.00 C ATOM 539 OD1 ASN A 38 -3.559 15.334 13.287 1.00 0.00 O flip ATOM 540 ND2 ASN A 38 -4.658 14.055 14.745 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.674 11.105 11.413 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.015 13.951 11.898 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.345 12.824 12.092 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.698 12.038 13.518 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.954 13.133 15.066 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.939 14.889 15.261 1.00 0.00 H new ATOM 547 N LYS A 39 -0.499 11.538 13.087 1.00 0.00 N ATOM 548 CA LYS A 39 0.471 10.973 14.015 1.00 0.00 C ATOM 549 C LYS A 39 1.748 11.772 13.986 1.00 0.00 C ATOM 550 O LYS A 39 2.309 12.111 15.036 1.00 0.00 O ATOM 551 CB LYS A 39 0.802 9.548 13.637 1.00 0.00 C ATOM 552 CG LYS A 39 -0.364 8.628 13.555 1.00 0.00 C ATOM 553 CD LYS A 39 0.136 7.277 13.171 1.00 0.00 C ATOM 554 CE LYS A 39 -0.980 6.292 12.996 1.00 0.00 C ATOM 555 NZ LYS A 39 -1.726 6.036 14.248 1.00 0.00 N ATOM 0 H LYS A 39 -0.555 11.039 12.199 1.00 0.00 H new ATOM 0 HA LYS A 39 0.031 11.000 15.012 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.309 9.553 12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.508 9.150 14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.882 8.584 14.513 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.083 8.990 12.821 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.703 7.351 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.823 6.914 13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.670 6.663 12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.573 5.352 12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.405 5.263 14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.060 5.768 15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.238 6.896 14.529 1.00 0.00 H new ATOM 569 N VAL A 40 2.218 12.044 12.796 1.00 0.00 N ATOM 570 CA VAL A 40 3.424 12.809 12.596 1.00 0.00 C ATOM 571 C VAL A 40 3.211 14.259 12.981 1.00 0.00 C ATOM 572 O VAL A 40 2.060 14.728 13.092 1.00 0.00 O ATOM 573 CB VAL A 40 3.945 12.726 11.144 1.00 0.00 C ATOM 574 CG1 VAL A 40 4.301 11.303 10.776 1.00 0.00 C ATOM 575 CG2 VAL A 40 2.952 13.317 10.149 1.00 0.00 C ATOM 0 H VAL A 40 1.772 11.739 11.931 1.00 0.00 H new ATOM 0 HA VAL A 40 4.181 12.368 13.244 1.00 0.00 H new ATOM 0 HB VAL A 40 4.852 13.328 11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.665 11.273 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.078 10.937 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.417 10.672 10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.357 13.239 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.011 12.770 10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.777 14.366 10.389 1.00 0.00 H new ATOM 585 N LYS A 41 4.290 14.970 13.180 1.00 0.00 N ATOM 586 CA LYS A 41 4.204 16.340 13.601 1.00 0.00 C ATOM 587 C LYS A 41 3.825 17.239 12.463 1.00 0.00 C ATOM 588 O LYS A 41 2.844 17.975 12.552 1.00 0.00 O ATOM 589 CB LYS A 41 5.494 16.820 14.248 1.00 0.00 C ATOM 590 CG LYS A 41 5.829 16.102 15.531 1.00 0.00 C ATOM 591 CD LYS A 41 7.046 16.700 16.189 1.00 0.00 C ATOM 592 CE LYS A 41 7.317 16.024 17.511 1.00 0.00 C ATOM 593 NZ LYS A 41 8.437 16.641 18.232 1.00 0.00 N ATOM 0 H LYS A 41 5.240 14.620 13.056 1.00 0.00 H new ATOM 0 HA LYS A 41 3.417 16.387 14.354 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.315 16.689 13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.414 17.888 14.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.980 16.156 16.213 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.006 15.046 15.325 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.911 16.592 15.534 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.895 17.768 16.344 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.421 16.068 18.130 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.534 14.970 17.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.586 16.144 19.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.299 16.576 17.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.220 17.641 18.420 1.00 0.00 H new ATOM 607 N ASP A 42 4.547 17.163 11.382 1.00 0.00 N ATOM 608 CA ASP A 42 4.285 18.070 10.296 1.00 0.00 C ATOM 609 C ASP A 42 3.579 17.357 9.190 1.00 0.00 C ATOM 610 O ASP A 42 3.870 16.202 8.884 1.00 0.00 O ATOM 611 CB ASP A 42 5.547 18.677 9.692 1.00 0.00 C ATOM 612 CG ASP A 42 6.591 19.126 10.692 1.00 0.00 C ATOM 613 OD1 ASP A 42 6.442 20.211 11.311 1.00 0.00 O ATOM 614 OD2 ASP A 42 7.613 18.422 10.855 1.00 0.00 O ATOM 0 H ASP A 42 5.306 16.499 11.227 1.00 0.00 H new ATOM 0 HA ASP A 42 3.681 18.869 10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.999 17.944 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.262 19.533 9.080 1.00 0.00 H new ATOM 619 N LYS A 43 2.693 18.054 8.585 1.00 0.00 N ATOM 620 CA LYS A 43 1.958 17.592 7.426 1.00 0.00 C ATOM 621 C LYS A 43 1.833 18.682 6.413 1.00 0.00 C ATOM 622 O LYS A 43 1.065 18.565 5.464 1.00 0.00 O ATOM 623 CB LYS A 43 0.570 17.011 7.748 1.00 0.00 C ATOM 624 CG LYS A 43 0.508 15.528 8.038 1.00 0.00 C ATOM 625 CD LYS A 43 1.178 14.714 6.947 1.00 0.00 C ATOM 626 CE LYS A 43 0.667 15.033 5.525 1.00 0.00 C ATOM 627 NZ LYS A 43 -0.772 14.767 5.345 1.00 0.00 N ATOM 0 H LYS A 43 2.436 18.997 8.878 1.00 0.00 H new ATOM 0 HA LYS A 43 2.545 16.768 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.169 17.544 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.091 17.222 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.991 15.324 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.533 15.219 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.253 14.890 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.021 13.655 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.865 16.081 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.231 14.442 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.046 14.986 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.967 13.765 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.320 15.362 5.999 1.00 0.00 H new ATOM 641 N ALA A 44 2.608 19.730 6.590 1.00 0.00 N ATOM 642 CA ALA A 44 2.636 20.834 5.643 1.00 0.00 C ATOM 643 C ALA A 44 3.259 20.363 4.338 1.00 0.00 C ATOM 644 O ALA A 44 2.973 20.902 3.262 1.00 0.00 O ATOM 645 CB ALA A 44 3.426 21.997 6.219 1.00 0.00 C ATOM 0 H ALA A 44 3.234 19.845 7.387 1.00 0.00 H new ATOM 0 HA ALA A 44 1.618 21.173 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.440 22.818 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.958 22.332 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.447 21.677 6.424 1.00 0.00 H new ATOM 651 N GLU A 45 4.074 19.310 4.459 1.00 0.00 N ATOM 652 CA GLU A 45 4.780 18.708 3.366 1.00 0.00 C ATOM 653 C GLU A 45 5.796 19.651 2.783 1.00 0.00 C ATOM 654 O GLU A 45 5.566 20.309 1.761 1.00 0.00 O ATOM 655 CB GLU A 45 3.843 18.094 2.318 1.00 0.00 C ATOM 656 CG GLU A 45 3.083 16.880 2.838 1.00 0.00 C ATOM 657 CD GLU A 45 2.031 16.386 1.883 1.00 0.00 C ATOM 658 OE1 GLU A 45 2.203 16.520 0.656 1.00 0.00 O ATOM 659 OE2 GLU A 45 1.004 15.864 2.339 1.00 0.00 O ATOM 0 H GLU A 45 4.254 18.853 5.353 1.00 0.00 H new ATOM 0 HA GLU A 45 5.339 17.863 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.129 18.849 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.425 17.804 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.790 16.075 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.612 17.134 3.788 1.00 0.00 H new ATOM 666 N GLU A 46 6.918 19.734 3.493 1.00 0.00 N ATOM 667 CA GLU A 46 8.054 20.540 3.145 1.00 0.00 C ATOM 668 C GLU A 46 8.529 20.145 1.749 1.00 0.00 C ATOM 669 O GLU A 46 9.015 20.964 0.961 1.00 0.00 O ATOM 670 CB GLU A 46 9.137 20.255 4.171 1.00 0.00 C ATOM 671 CG GLU A 46 10.278 21.202 4.126 1.00 0.00 C ATOM 672 CD GLU A 46 11.390 20.817 5.057 1.00 0.00 C ATOM 673 OE1 GLU A 46 11.386 21.244 6.232 1.00 0.00 O ATOM 674 OE2 GLU A 46 12.297 20.068 4.628 1.00 0.00 O ATOM 0 H GLU A 46 7.052 19.214 4.360 1.00 0.00 H new ATOM 0 HA GLU A 46 7.809 21.602 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.695 20.282 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.512 19.243 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.663 21.251 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.925 22.201 4.382 1.00 0.00 H new ATOM 681 N GLU A 47 8.334 18.895 1.443 1.00 0.00 N ATOM 682 CA GLU A 47 8.634 18.359 0.205 1.00 0.00 C ATOM 683 C GLU A 47 7.354 17.837 -0.353 1.00 0.00 C ATOM 684 O GLU A 47 6.990 16.687 -0.193 1.00 0.00 O ATOM 685 CB GLU A 47 9.650 17.276 0.321 1.00 0.00 C ATOM 686 CG GLU A 47 10.071 16.691 -1.000 1.00 0.00 C ATOM 687 CD GLU A 47 11.247 15.774 -0.862 1.00 0.00 C ATOM 688 OE1 GLU A 47 12.341 16.254 -0.514 1.00 0.00 O ATOM 689 OE2 GLU A 47 11.112 14.558 -1.085 1.00 0.00 O ATOM 0 H GLU A 47 7.944 18.217 2.097 1.00 0.00 H new ATOM 0 HA GLU A 47 9.065 19.114 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.530 17.670 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.248 16.480 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.235 16.144 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.320 17.497 -1.690 1.00 0.00 H new ATOM 696 N THR A 48 6.627 18.729 -0.864 1.00 0.00 N ATOM 697 CA THR A 48 5.356 18.441 -1.497 1.00 0.00 C ATOM 698 C THR A 48 5.556 17.598 -2.769 1.00 0.00 C ATOM 699 O THR A 48 4.642 16.940 -3.258 1.00 0.00 O ATOM 700 CB THR A 48 4.532 19.744 -1.781 1.00 0.00 C ATOM 701 OG1 THR A 48 3.254 19.429 -2.353 1.00 0.00 O ATOM 702 CG2 THR A 48 5.280 20.680 -2.717 1.00 0.00 C ATOM 0 H THR A 48 6.876 19.718 -0.871 1.00 0.00 H new ATOM 0 HA THR A 48 4.765 17.850 -0.797 1.00 0.00 H new ATOM 0 HB THR A 48 4.386 20.244 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.757 20.257 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.681 21.573 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.230 20.964 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.466 20.175 -3.665 1.00 0.00 H new ATOM 710 N GLU A 49 6.770 17.582 -3.250 1.00 0.00 N ATOM 711 CA GLU A 49 7.126 16.824 -4.404 1.00 0.00 C ATOM 712 C GLU A 49 7.752 15.509 -3.989 1.00 0.00 C ATOM 713 O GLU A 49 8.656 14.999 -4.648 1.00 0.00 O ATOM 714 CB GLU A 49 8.084 17.621 -5.231 1.00 0.00 C ATOM 715 CG GLU A 49 7.513 18.940 -5.672 1.00 0.00 C ATOM 716 CD GLU A 49 8.537 19.783 -6.340 1.00 0.00 C ATOM 717 OE1 GLU A 49 8.740 19.631 -7.558 1.00 0.00 O ATOM 718 OE2 GLU A 49 9.197 20.595 -5.641 1.00 0.00 O ATOM 0 H GLU A 49 7.545 18.104 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 49 6.234 16.607 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.994 17.797 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.369 17.041 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.681 18.767 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.111 19.470 -4.809 1.00 0.00 H new ATOM 725 N GLU A 50 7.302 14.975 -2.896 1.00 0.00 N ATOM 726 CA GLU A 50 7.730 13.665 -2.505 1.00 0.00 C ATOM 727 C GLU A 50 6.906 12.654 -3.275 1.00 0.00 C ATOM 728 O GLU A 50 5.674 12.647 -3.193 1.00 0.00 O ATOM 729 CB GLU A 50 7.621 13.425 -0.982 1.00 0.00 C ATOM 730 CG GLU A 50 6.231 13.614 -0.386 1.00 0.00 C ATOM 731 CD GLU A 50 6.149 13.153 1.051 1.00 0.00 C ATOM 732 OE1 GLU A 50 6.740 13.796 1.942 1.00 0.00 O ATOM 733 OE2 GLU A 50 5.506 12.118 1.320 1.00 0.00 O ATOM 0 H GLU A 50 6.641 15.422 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 50 8.789 13.559 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.955 12.410 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.310 14.101 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.955 14.667 -0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.505 13.062 -0.983 1.00 0.00 H new ATOM 740 N LYS A 51 7.546 11.860 -4.065 1.00 0.00 N ATOM 741 CA LYS A 51 6.862 10.853 -4.784 1.00 0.00 C ATOM 742 C LYS A 51 7.407 9.479 -4.440 1.00 0.00 C ATOM 743 O LYS A 51 8.300 8.947 -5.104 1.00 0.00 O ATOM 744 CB LYS A 51 6.780 11.103 -6.311 1.00 0.00 C ATOM 745 CG LYS A 51 8.078 11.296 -7.070 1.00 0.00 C ATOM 746 CD LYS A 51 8.707 12.651 -6.837 1.00 0.00 C ATOM 747 CE LYS A 51 7.831 13.814 -7.334 1.00 0.00 C ATOM 748 NZ LYS A 51 7.578 13.768 -8.782 1.00 0.00 N ATOM 0 H LYS A 51 8.553 11.894 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 51 5.824 10.895 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.253 10.261 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.164 11.988 -6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.783 10.519 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.891 11.168 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.899 12.778 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.672 12.689 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.879 13.796 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.316 14.758 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.070 14.628 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.483 13.711 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.001 12.932 -9.007 1.00 0.00 H new ATOM 762 N PRO A 52 6.923 8.916 -3.346 1.00 0.00 N ATOM 763 CA PRO A 52 7.323 7.619 -2.896 1.00 0.00 C ATOM 764 C PRO A 52 6.561 6.558 -3.647 1.00 0.00 C ATOM 765 O PRO A 52 5.617 6.860 -4.407 1.00 0.00 O ATOM 766 CB PRO A 52 6.886 7.636 -1.431 1.00 0.00 C ATOM 767 CG PRO A 52 5.658 8.457 -1.434 1.00 0.00 C ATOM 768 CD PRO A 52 5.910 9.512 -2.454 1.00 0.00 C ATOM 0 HA PRO A 52 8.383 7.407 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.692 6.629 -1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.654 8.069 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.783 7.860 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.470 8.892 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.000 9.766 -2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.274 10.431 -1.995 1.00 0.00 H new ATOM 776 N SER A 53 6.961 5.355 -3.463 1.00 0.00 N ATOM 777 CA SER A 53 6.282 4.268 -4.017 1.00 0.00 C ATOM 778 C SER A 53 5.035 4.008 -3.181 1.00 0.00 C ATOM 779 O SER A 53 5.087 4.044 -1.937 1.00 0.00 O ATOM 780 CB SER A 53 7.244 3.092 -4.051 1.00 0.00 C ATOM 781 OG SER A 53 8.003 3.036 -2.828 1.00 0.00 O ATOM 0 H SER A 53 7.783 5.104 -2.913 1.00 0.00 H new ATOM 0 HA SER A 53 5.949 4.452 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.690 2.163 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.918 3.188 -4.902 1.00 0.00 H new ATOM 0 HG SER A 53 8.724 2.379 -2.920 1.00 0.00 H new ATOM 787 N VAL A 54 3.934 3.797 -3.835 1.00 0.00 N ATOM 788 CA VAL A 54 2.692 3.604 -3.131 1.00 0.00 C ATOM 789 C VAL A 54 2.306 2.176 -3.263 1.00 0.00 C ATOM 790 O VAL A 54 2.051 1.672 -4.359 1.00 0.00 O ATOM 791 CB VAL A 54 1.558 4.557 -3.601 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.322 4.364 -2.747 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.020 5.995 -3.501 1.00 0.00 C ATOM 0 H VAL A 54 3.864 3.753 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 54 2.844 3.859 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 54 1.315 4.324 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.464 5.038 -3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.022 3.333 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.561 4.582 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.221 6.658 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.276 6.224 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.896 6.140 -4.132 1.00 0.00 H new ATOM 803 N TRP A 55 2.350 1.524 -2.168 1.00 0.00 N ATOM 804 CA TRP A 55 2.095 0.147 -2.089 1.00 0.00 C ATOM 805 C TRP A 55 0.749 -0.074 -1.445 1.00 0.00 C ATOM 806 O TRP A 55 0.460 0.448 -0.358 1.00 0.00 O ATOM 807 CB TRP A 55 3.203 -0.554 -1.304 1.00 0.00 C ATOM 808 CG TRP A 55 4.580 -0.393 -1.888 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.427 0.637 -1.672 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.275 -1.302 -2.765 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.600 0.437 -2.339 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.535 -0.741 -3.022 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.957 -2.528 -3.353 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.478 -1.361 -3.839 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.892 -3.144 -4.163 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.139 -2.560 -4.398 1.00 0.00 C ATOM 0 H TRP A 55 2.573 1.953 -1.270 1.00 0.00 H new ATOM 0 HA TRP A 55 2.079 -0.280 -3.092 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.208 -0.169 -0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.970 -1.617 -1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.207 1.498 -1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.400 1.070 -2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.996 -2.988 -3.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.442 -0.910 -4.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.655 -4.092 -4.622 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.849 -3.067 -5.034 1.00 0.00 H new ATOM 827 N LEU A 56 -0.076 -0.793 -2.120 1.00 0.00 N ATOM 828 CA LEU A 56 -1.372 -1.102 -1.618 1.00 0.00 C ATOM 829 C LEU A 56 -1.383 -2.501 -1.037 1.00 0.00 C ATOM 830 O LEU A 56 -1.014 -3.455 -1.720 1.00 0.00 O ATOM 831 CB LEU A 56 -2.427 -1.006 -2.697 1.00 0.00 C ATOM 832 CG LEU A 56 -3.826 -1.328 -2.209 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.614 -0.081 -1.893 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.533 -2.238 -3.160 1.00 0.00 C ATOM 0 H LEU A 56 0.127 -1.186 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.605 -0.372 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.419 0.002 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.168 -1.687 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.734 -1.869 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.610 -0.358 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.103 0.484 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.699 0.533 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.534 -2.451 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.607 -1.758 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.975 -3.169 -3.255 1.00 0.00 H new ATOM 846 N CYS A 57 -1.789 -2.604 0.211 1.00 0.00 N ATOM 847 CA CYS A 57 -1.928 -3.866 0.914 1.00 0.00 C ATOM 848 C CYS A 57 -2.947 -4.737 0.189 1.00 0.00 C ATOM 849 O CYS A 57 -4.127 -4.411 0.171 1.00 0.00 O ATOM 850 CB CYS A 57 -2.437 -3.571 2.336 1.00 0.00 C ATOM 851 SG CYS A 57 -2.458 -4.976 3.495 1.00 0.00 S ATOM 0 H CYS A 57 -2.038 -1.795 0.780 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.970 -4.385 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.817 -2.784 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.449 -3.174 2.261 1.00 0.00 H new ATOM 856 N LEU A 58 -2.504 -5.859 -0.368 1.00 0.00 N ATOM 857 CA LEU A 58 -3.364 -6.786 -1.110 1.00 0.00 C ATOM 858 C LEU A 58 -4.240 -7.551 -0.174 1.00 0.00 C ATOM 859 O LEU A 58 -5.132 -8.299 -0.565 1.00 0.00 O ATOM 860 CB LEU A 58 -2.454 -7.705 -1.878 1.00 0.00 C ATOM 861 CG LEU A 58 -1.875 -7.084 -3.124 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.551 -7.687 -3.449 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.814 -7.349 -4.265 1.00 0.00 C ATOM 0 H LEU A 58 -1.530 -6.157 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.025 -6.249 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.638 -8.021 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.008 -8.603 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.744 -6.014 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.152 -7.224 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.138 -7.521 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.669 -8.758 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.412 -6.907 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.926 -8.425 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.786 -6.908 -4.046 1.00 0.00 H new ATOM 875 N LYS A 59 -3.964 -7.355 1.054 1.00 0.00 N ATOM 876 CA LYS A 59 -4.691 -7.959 2.088 1.00 0.00 C ATOM 877 C LYS A 59 -5.898 -7.126 2.517 1.00 0.00 C ATOM 878 O LYS A 59 -6.962 -7.673 2.741 1.00 0.00 O ATOM 879 CB LYS A 59 -3.786 -8.263 3.268 1.00 0.00 C ATOM 880 CG LYS A 59 -4.520 -8.860 4.423 1.00 0.00 C ATOM 881 CD LYS A 59 -5.087 -10.229 4.066 1.00 0.00 C ATOM 882 CE LYS A 59 -5.567 -11.002 5.277 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.793 -10.441 5.881 1.00 0.00 N ATOM 0 H LYS A 59 -3.205 -6.753 1.374 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.085 -8.899 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.000 -8.948 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.297 -7.344 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.848 -8.953 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.329 -8.196 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.916 -10.103 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.323 -10.810 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.753 -12.036 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.776 -11.018 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.660 -10.342 6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.989 -9.508 5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.594 -11.078 5.696 1.00 0.00 H new ATOM 897 N CYS A 60 -5.736 -5.824 2.652 1.00 0.00 N ATOM 898 CA CYS A 60 -6.868 -5.009 3.128 1.00 0.00 C ATOM 899 C CYS A 60 -7.169 -3.767 2.307 1.00 0.00 C ATOM 900 O CYS A 60 -8.144 -3.097 2.575 1.00 0.00 O ATOM 901 CB CYS A 60 -6.666 -4.605 4.567 1.00 0.00 C ATOM 902 SG CYS A 60 -5.406 -3.342 4.792 1.00 0.00 S ATOM 0 H CYS A 60 -4.876 -5.313 2.452 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.733 -5.663 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.611 -4.239 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.393 -5.486 5.148 1.00 0.00 H new ATOM 907 N GLY A 61 -6.345 -3.436 1.369 1.00 0.00 N ATOM 908 CA GLY A 61 -6.586 -2.234 0.595 1.00 0.00 C ATOM 909 C GLY A 61 -6.067 -0.974 1.284 1.00 0.00 C ATOM 910 O GLY A 61 -6.460 0.139 0.941 1.00 0.00 O ATOM 0 H GLY A 61 -5.509 -3.961 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.108 -2.333 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.656 -2.131 0.416 1.00 0.00 H new ATOM 914 N HIS A 62 -5.243 -1.157 2.296 1.00 0.00 N ATOM 915 CA HIS A 62 -4.558 -0.044 2.934 1.00 0.00 C ATOM 916 C HIS A 62 -3.434 0.398 2.037 1.00 0.00 C ATOM 917 O HIS A 62 -2.546 -0.391 1.702 1.00 0.00 O ATOM 918 CB HIS A 62 -4.003 -0.429 4.306 1.00 0.00 C ATOM 919 CG HIS A 62 -3.203 0.653 4.974 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.831 0.765 4.867 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.598 1.667 5.763 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.446 1.815 5.579 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.484 2.405 6.146 1.00 0.00 N ATOM 0 H HIS A 62 -5.029 -2.070 2.698 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.272 0.765 3.088 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.833 -0.705 4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.376 -1.314 4.196 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.220 0.147 4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.617 1.875 6.053 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.422 2.144 5.682 1.00 0.00 H new ATOM 931 N GLN A 63 -3.470 1.620 1.676 1.00 0.00 N ATOM 932 CA GLN A 63 -2.523 2.165 0.775 1.00 0.00 C ATOM 933 C GLN A 63 -1.505 3.011 1.537 1.00 0.00 C ATOM 934 O GLN A 63 -1.857 3.972 2.247 1.00 0.00 O ATOM 935 CB GLN A 63 -3.295 2.950 -0.192 1.00 0.00 C ATOM 936 CG GLN A 63 -2.593 3.402 -1.411 1.00 0.00 C ATOM 937 CD GLN A 63 -3.567 3.971 -2.388 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.360 3.954 -3.562 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.657 4.420 -1.921 1.00 0.00 N ATOM 0 H GLN A 63 -4.170 2.287 2.002 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.947 1.398 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.156 2.356 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.682 3.831 0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.847 4.153 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.060 2.566 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.816 4.426 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.375 4.775 -2.553 1.00 0.00 H new ATOM 948 N GLY A 64 -0.282 2.628 1.397 1.00 0.00 N ATOM 949 CA GLY A 64 0.789 3.189 2.102 1.00 0.00 C ATOM 950 C GLY A 64 1.956 3.421 1.233 1.00 0.00 C ATOM 951 O GLY A 64 2.053 2.891 0.151 1.00 0.00 O ATOM 0 H GLY A 64 -0.003 1.883 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.475 4.133 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.072 2.527 2.921 1.00 0.00 H new ATOM 955 N CYS A 65 2.819 4.227 1.698 1.00 0.00 N ATOM 956 CA CYS A 65 3.982 4.565 0.988 1.00 0.00 C ATOM 957 C CYS A 65 5.108 3.646 1.471 1.00 0.00 C ATOM 958 O CYS A 65 5.200 3.353 2.683 1.00 0.00 O ATOM 959 CB CYS A 65 4.261 6.036 1.216 1.00 0.00 C ATOM 960 SG CYS A 65 4.396 6.465 2.957 1.00 0.00 S ATOM 0 H CYS A 65 2.736 4.683 2.607 1.00 0.00 H new ATOM 0 HA CYS A 65 3.881 4.421 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.186 6.307 0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.464 6.626 0.763 1.00 0.00 H new ATOM 965 N GLY A 66 5.898 3.159 0.551 1.00 0.00 N ATOM 966 CA GLY A 66 6.918 2.192 0.873 1.00 0.00 C ATOM 967 C GLY A 66 8.230 2.791 1.287 1.00 0.00 C ATOM 968 O GLY A 66 8.274 3.861 1.877 1.00 0.00 O ATOM 0 H GLY A 66 5.855 3.417 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.554 1.552 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.082 1.552 0.006 1.00 0.00 H new ATOM 972 N ARG A 67 9.300 2.101 0.930 1.00 0.00 N ATOM 973 CA ARG A 67 10.682 2.422 1.310 1.00 0.00 C ATOM 974 C ARG A 67 11.067 3.868 1.027 1.00 0.00 C ATOM 975 O ARG A 67 11.723 4.513 1.833 1.00 0.00 O ATOM 976 CB ARG A 67 11.633 1.525 0.537 1.00 0.00 C ATOM 977 CG ARG A 67 13.081 1.654 0.947 1.00 0.00 C ATOM 978 CD ARG A 67 13.983 1.016 -0.072 1.00 0.00 C ATOM 979 NE ARG A 67 14.024 1.824 -1.304 1.00 0.00 N ATOM 980 CZ ARG A 67 14.884 1.664 -2.311 1.00 0.00 C ATOM 981 NH1 ARG A 67 15.703 0.618 -2.331 1.00 0.00 N ATOM 982 NH2 ARG A 67 14.904 2.558 -3.300 1.00 0.00 N ATOM 0 H ARG A 67 9.237 1.268 0.345 1.00 0.00 H new ATOM 0 HA ARG A 67 10.752 2.264 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.322 0.488 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.547 1.753 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.339 2.707 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.232 1.183 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.988 0.914 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.629 0.011 -0.301 1.00 0.00 H new ATOM 0 HE ARG A 67 13.335 2.570 -1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.675 -0.066 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.359 0.499 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.266 3.354 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.557 2.446 -4.075 1.00 0.00 H new ATOM 996 N ASN A 68 10.591 4.372 -0.075 1.00 0.00 N ATOM 997 CA ASN A 68 11.026 5.668 -0.612 1.00 0.00 C ATOM 998 C ASN A 68 10.284 6.836 0.024 1.00 0.00 C ATOM 999 O ASN A 68 10.218 7.925 -0.549 1.00 0.00 O ATOM 1000 CB ASN A 68 10.787 5.695 -2.114 1.00 0.00 C ATOM 1001 CG ASN A 68 11.390 4.500 -2.841 1.00 0.00 C ATOM 1002 OD1 ASN A 68 12.386 3.908 -2.409 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.809 4.141 -3.945 1.00 0.00 N ATOM 0 H ASN A 68 9.884 3.907 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 68 12.086 5.778 -0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.714 5.723 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.208 6.612 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.173 3.352 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.989 4.648 -4.278 1.00 0.00 H new ATOM 1010 N SER A 69 9.737 6.628 1.181 1.00 0.00 N ATOM 1011 CA SER A 69 9.055 7.675 1.863 1.00 0.00 C ATOM 1012 C SER A 69 9.762 7.957 3.179 1.00 0.00 C ATOM 1013 O SER A 69 10.660 7.203 3.572 1.00 0.00 O ATOM 1014 CB SER A 69 7.617 7.282 2.105 1.00 0.00 C ATOM 1015 OG SER A 69 7.526 6.130 2.904 1.00 0.00 O ATOM 0 H SER A 69 9.752 5.735 1.673 1.00 0.00 H new ATOM 0 HA SER A 69 9.064 8.578 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.090 8.104 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.122 7.104 1.150 1.00 0.00 H new ATOM 0 HG SER A 69 7.459 5.338 2.330 1.00 0.00 H new ATOM 1021 N GLN A 70 9.377 9.015 3.855 1.00 0.00 N ATOM 1022 CA GLN A 70 9.979 9.358 5.122 1.00 0.00 C ATOM 1023 C GLN A 70 9.417 8.520 6.259 1.00 0.00 C ATOM 1024 O GLN A 70 10.122 8.186 7.205 1.00 0.00 O ATOM 1025 CB GLN A 70 9.844 10.854 5.407 1.00 0.00 C ATOM 1026 CG GLN A 70 8.425 11.418 5.401 1.00 0.00 C ATOM 1027 CD GLN A 70 8.403 12.917 5.661 1.00 0.00 C ATOM 1028 OE1 GLN A 70 9.254 13.454 6.390 1.00 0.00 O ATOM 1029 NE2 GLN A 70 7.479 13.615 5.046 1.00 0.00 N ATOM 0 H GLN A 70 8.646 9.656 3.546 1.00 0.00 H new ATOM 0 HA GLN A 70 11.042 9.127 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.289 11.058 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.432 11.398 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.957 11.211 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.830 10.910 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.794 13.145 4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.445 14.628 5.159 1.00 0.00 H new ATOM 1038 N GLU A 71 8.168 8.172 6.158 1.00 0.00 N ATOM 1039 CA GLU A 71 7.529 7.380 7.195 1.00 0.00 C ATOM 1040 C GLU A 71 7.529 5.907 6.919 1.00 0.00 C ATOM 1041 O GLU A 71 7.622 5.113 7.854 1.00 0.00 O ATOM 1042 CB GLU A 71 6.123 7.842 7.442 1.00 0.00 C ATOM 1043 CG GLU A 71 6.033 9.022 8.355 1.00 0.00 C ATOM 1044 CD GLU A 71 6.540 8.685 9.745 1.00 0.00 C ATOM 1045 OE1 GLU A 71 5.867 7.911 10.464 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.614 9.183 10.143 1.00 0.00 O ATOM 0 H GLU A 71 7.563 8.418 5.374 1.00 0.00 H new ATOM 0 HA GLU A 71 8.134 7.538 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.660 8.095 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.548 7.019 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.614 9.847 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.998 9.360 8.415 1.00 0.00 H new ATOM 1053 N GLN A 72 7.422 5.540 5.650 1.00 0.00 N ATOM 1054 CA GLN A 72 7.370 4.133 5.234 1.00 0.00 C ATOM 1055 C GLN A 72 6.171 3.446 5.858 1.00 0.00 C ATOM 1056 O GLN A 72 6.283 2.385 6.469 1.00 0.00 O ATOM 1057 CB GLN A 72 8.683 3.415 5.563 1.00 0.00 C ATOM 1058 CG GLN A 72 9.829 3.907 4.740 1.00 0.00 C ATOM 1059 CD GLN A 72 11.086 3.286 5.109 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.313 2.167 4.603 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 11.838 3.804 5.933 1.00 0.00 N flip ATOM 0 H GLN A 72 7.368 6.202 4.876 1.00 0.00 H new ATOM 0 HA GLN A 72 7.249 4.089 4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.913 3.553 6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.558 2.344 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.626 3.711 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.915 4.988 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.615 4.720 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.685 3.317 6.228 1.00 0.00 H new ATOM 1070 N HIS A 73 5.003 4.060 5.660 1.00 0.00 N ATOM 1071 CA HIS A 73 3.777 3.636 6.218 1.00 0.00 C ATOM 1072 C HIS A 73 3.412 2.205 5.828 1.00 0.00 C ATOM 1073 O HIS A 73 2.814 1.495 6.608 1.00 0.00 O ATOM 1074 CB HIS A 73 2.703 4.612 5.804 1.00 0.00 C ATOM 1075 CG HIS A 73 2.751 5.970 6.479 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.560 7.121 5.769 1.00 0.00 N ATOM 1077 CD2 HIS A 73 2.847 6.287 7.784 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.525 8.078 6.611 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.695 7.640 7.851 1.00 0.00 N ATOM 0 H HIS A 73 4.912 4.895 5.081 1.00 0.00 H new ATOM 0 HA HIS A 73 3.874 3.624 7.304 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.769 4.760 4.726 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.731 4.161 6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.011 5.609 8.608 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.376 9.115 6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.709 8.209 8.697 1.00 0.00 H new ATOM 1087 N ALA A 74 3.812 1.786 4.637 1.00 0.00 N ATOM 1088 CA ALA A 74 3.557 0.421 4.182 1.00 0.00 C ATOM 1089 C ALA A 74 4.373 -0.577 5.016 1.00 0.00 C ATOM 1090 O ALA A 74 3.908 -1.683 5.344 1.00 0.00 O ATOM 1091 CB ALA A 74 3.880 0.284 2.702 1.00 0.00 C ATOM 0 H ALA A 74 4.314 2.368 3.966 1.00 0.00 H new ATOM 0 HA ALA A 74 2.499 0.197 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.684 -0.739 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.257 0.970 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.931 0.522 2.535 1.00 0.00 H new ATOM 1097 N LEU A 75 5.553 -0.169 5.416 1.00 0.00 N ATOM 1098 CA LEU A 75 6.387 -1.018 6.223 1.00 0.00 C ATOM 1099 C LEU A 75 5.951 -1.005 7.655 1.00 0.00 C ATOM 1100 O LEU A 75 5.980 -2.033 8.315 1.00 0.00 O ATOM 1101 CB LEU A 75 7.853 -0.696 6.100 1.00 0.00 C ATOM 1102 CG LEU A 75 8.596 -1.392 4.968 1.00 0.00 C ATOM 1103 CD1 LEU A 75 8.204 -0.900 3.583 1.00 0.00 C ATOM 1104 CD2 LEU A 75 10.050 -1.266 5.196 1.00 0.00 C ATOM 0 H LEU A 75 5.954 0.743 5.196 1.00 0.00 H new ATOM 0 HA LEU A 75 6.260 -2.028 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.958 0.381 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.341 -0.952 7.040 1.00 0.00 H new ATOM 0 HG LEU A 75 8.306 -2.443 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.775 -1.442 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.139 -1.071 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.417 0.166 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.589 -1.762 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.324 -0.211 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.311 -1.731 6.147 1.00 0.00 H new ATOM 1116 N LYS A 76 5.572 0.167 8.164 1.00 0.00 N ATOM 1117 CA LYS A 76 4.944 0.251 9.481 1.00 0.00 C ATOM 1118 C LYS A 76 3.701 -0.627 9.500 1.00 0.00 C ATOM 1119 O LYS A 76 3.408 -1.299 10.500 1.00 0.00 O ATOM 1120 CB LYS A 76 4.551 1.696 9.790 1.00 0.00 C ATOM 1121 CG LYS A 76 5.694 2.682 9.639 1.00 0.00 C ATOM 1122 CD LYS A 76 5.258 4.112 9.907 1.00 0.00 C ATOM 1123 CE LYS A 76 5.035 4.378 11.387 1.00 0.00 C ATOM 1124 NZ LYS A 76 4.658 5.782 11.639 1.00 0.00 N ATOM 0 H LYS A 76 5.687 1.063 7.690 1.00 0.00 H new ATOM 0 HA LYS A 76 5.652 -0.091 10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.737 1.992 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.168 1.750 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.496 2.414 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.102 2.611 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.015 4.798 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.338 4.318 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.252 3.718 11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.944 4.140 11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.630 5.955 12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.358 6.414 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.720 5.968 11.231 1.00 0.00 H new ATOM 1138 N HIS A 77 3.030 -0.689 8.358 1.00 0.00 N ATOM 1139 CA HIS A 77 1.840 -1.490 8.217 1.00 0.00 C ATOM 1140 C HIS A 77 2.211 -2.952 8.270 1.00 0.00 C ATOM 1141 O HIS A 77 1.457 -3.757 8.801 1.00 0.00 O ATOM 1142 CB HIS A 77 1.067 -1.142 6.952 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.305 -1.735 6.875 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.386 -1.194 7.516 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.776 -2.805 6.177 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.461 -1.916 7.198 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.151 -2.910 6.384 1.00 0.00 N ATOM 0 H HIS A 77 3.300 -0.186 7.513 1.00 0.00 H new ATOM 0 HA HIS A 77 1.169 -1.270 9.047 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.984 -0.058 6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.641 -1.476 6.088 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.372 -0.380 8.130 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.181 -3.465 5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.458 -1.714 7.560 1.00 0.00 H new ATOM 1155 N TYR A 78 3.377 -3.298 7.750 1.00 0.00 N ATOM 1156 CA TYR A 78 3.852 -4.657 7.896 1.00 0.00 C ATOM 1157 C TYR A 78 4.203 -4.941 9.345 1.00 0.00 C ATOM 1158 O TYR A 78 3.994 -6.048 9.849 1.00 0.00 O ATOM 1159 CB TYR A 78 5.047 -4.909 7.005 1.00 0.00 C ATOM 1160 CG TYR A 78 5.701 -6.267 7.209 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.986 -7.448 7.020 1.00 0.00 C ATOM 1162 CD2 TYR A 78 7.027 -6.364 7.613 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.579 -8.679 7.223 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.623 -7.591 7.816 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.896 -8.743 7.620 1.00 0.00 C ATOM 1166 OH TYR A 78 7.489 -9.969 7.815 1.00 0.00 O ATOM 0 H TYR A 78 3.997 -2.672 7.236 1.00 0.00 H new ATOM 0 HA TYR A 78 3.052 -5.332 7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.735 -4.821 5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.789 -4.130 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.953 -7.400 6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.601 -5.463 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.013 -9.586 7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.656 -7.648 8.127 1.00 0.00 H new ATOM 0 HH TYR A 78 8.420 -9.842 8.092 1.00 0.00 H new ATOM 1176 N LEU A 79 4.721 -3.944 10.032 1.00 0.00 N ATOM 1177 CA LEU A 79 5.096 -4.096 11.416 1.00 0.00 C ATOM 1178 C LEU A 79 3.905 -3.923 12.331 1.00 0.00 C ATOM 1179 O LEU A 79 4.048 -3.936 13.560 1.00 0.00 O ATOM 1180 CB LEU A 79 6.195 -3.106 11.790 1.00 0.00 C ATOM 1181 CG LEU A 79 7.472 -3.190 10.965 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.524 -2.256 11.521 1.00 0.00 C ATOM 1183 CD2 LEU A 79 7.977 -4.618 10.906 1.00 0.00 C ATOM 0 H LEU A 79 4.891 -3.015 9.648 1.00 0.00 H new ATOM 0 HA LEU A 79 5.478 -5.109 11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.794 -2.096 11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.452 -3.256 12.839 1.00 0.00 H new ATOM 0 HG LEU A 79 7.250 -2.874 9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.430 -2.329 10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.152 -1.232 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.749 -2.533 12.551 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.890 -4.657 10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.186 -4.972 11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.219 -5.253 10.448 1.00 0.00 H new ATOM 1195 N THR A 80 2.756 -3.705 11.749 1.00 0.00 N ATOM 1196 CA THR A 80 1.533 -3.661 12.526 1.00 0.00 C ATOM 1197 C THR A 80 1.107 -5.131 12.859 1.00 0.00 C ATOM 1198 O THR A 80 0.687 -5.874 11.972 1.00 0.00 O ATOM 1199 CB THR A 80 0.399 -2.934 11.751 1.00 0.00 C ATOM 1200 OG1 THR A 80 0.875 -1.655 11.291 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.796 -2.691 12.662 1.00 0.00 C ATOM 0 H THR A 80 2.635 -3.555 10.747 1.00 0.00 H new ATOM 0 HA THR A 80 1.710 -3.101 13.444 1.00 0.00 H new ATOM 0 HB THR A 80 0.102 -3.561 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.798 -1.744 10.975 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.581 -2.181 12.104 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.173 -3.645 13.030 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.490 -2.072 13.506 1.00 0.00 H new ATOM 1209 N PRO A 81 1.211 -5.569 14.133 1.00 0.00 N ATOM 1210 CA PRO A 81 0.977 -6.986 14.536 1.00 0.00 C ATOM 1211 C PRO A 81 -0.483 -7.311 14.759 1.00 0.00 C ATOM 1212 O PRO A 81 -0.873 -8.008 15.700 1.00 0.00 O ATOM 1213 CB PRO A 81 1.715 -7.069 15.826 1.00 0.00 C ATOM 1214 CG PRO A 81 1.620 -5.707 16.435 1.00 0.00 C ATOM 1215 CD PRO A 81 1.541 -4.730 15.297 1.00 0.00 C ATOM 0 HA PRO A 81 1.300 -7.688 13.767 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.276 -7.822 16.480 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.755 -7.354 15.665 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.740 -5.629 17.074 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.488 -5.502 17.062 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.777 -3.972 15.473 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.485 -4.204 15.156 1.00 0.00 H new ATOM 1223 N ARG A 82 -1.237 -6.878 13.865 1.00 0.00 N ATOM 1224 CA ARG A 82 -2.675 -6.987 13.935 1.00 0.00 C ATOM 1225 C ARG A 82 -3.204 -8.335 13.376 1.00 0.00 C ATOM 1226 O ARG A 82 -3.508 -8.434 12.239 1.00 0.00 O ATOM 1227 CB ARG A 82 -3.256 -5.753 13.176 1.00 0.00 C ATOM 1228 CG ARG A 82 -2.660 -5.520 11.740 1.00 0.00 C ATOM 1229 CD ARG A 82 -3.491 -6.148 10.646 1.00 0.00 C ATOM 1230 NE ARG A 82 -4.867 -5.612 10.633 1.00 0.00 N ATOM 1231 CZ ARG A 82 -5.981 -6.359 10.758 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -5.889 -7.649 11.061 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -7.174 -5.802 10.653 1.00 0.00 N ATOM 0 H ARG A 82 -0.899 -6.416 13.021 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.004 -6.984 14.974 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.336 -5.873 13.090 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.081 -4.860 13.776 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.578 -4.449 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.650 -5.928 11.701 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.020 -5.966 9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.522 -7.228 10.787 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.982 -4.605 10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.973 -8.076 11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.734 -8.212 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.256 -4.801 10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.014 -6.373 10.749 1.00 0.00 H new ATOM 1247 N SER A 83 -3.415 -9.316 14.244 1.00 0.00 N ATOM 1248 CA SER A 83 -3.918 -10.670 13.861 1.00 0.00 C ATOM 1249 C SER A 83 -3.157 -11.296 12.614 1.00 0.00 C ATOM 1250 O SER A 83 -2.212 -12.093 12.768 1.00 0.00 O ATOM 1251 CB SER A 83 -5.429 -10.599 13.608 1.00 0.00 C ATOM 1252 OG SER A 83 -6.087 -9.907 14.670 1.00 0.00 O ATOM 0 H SER A 83 -3.247 -9.215 15.245 1.00 0.00 H new ATOM 0 HA SER A 83 -3.714 -11.342 14.695 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.621 -10.091 12.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.835 -11.606 13.517 1.00 0.00 H new ATOM 0 HG SER A 83 -7.050 -9.871 14.490 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.576 -10.889 11.414 1.00 0.00 N ATOM 1259 CA GLU A 84 -2.985 -11.287 10.158 1.00 0.00 C ATOM 1260 C GLU A 84 -1.833 -10.324 9.854 1.00 0.00 C ATOM 1261 O GLU A 84 -1.878 -9.168 10.238 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.013 -11.166 9.041 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.275 -11.961 9.246 1.00 0.00 C ATOM 1264 CD GLU A 84 -5.063 -13.450 9.245 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -4.724 -14.021 10.304 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -5.250 -14.075 8.182 1.00 0.00 O ATOM 0 H GLU A 84 -4.364 -10.252 11.298 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.637 -12.318 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.279 -10.115 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.550 -11.483 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.727 -11.669 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.986 -11.704 8.461 1.00 0.00 H new ATOM 1273 N PRO A 85 -0.832 -10.757 9.134 1.00 0.00 N ATOM 1274 CA PRO A 85 0.364 -9.938 8.906 1.00 0.00 C ATOM 1275 C PRO A 85 0.192 -8.845 7.861 1.00 0.00 C ATOM 1276 O PRO A 85 0.866 -7.825 7.935 1.00 0.00 O ATOM 1277 CB PRO A 85 1.398 -10.958 8.469 1.00 0.00 C ATOM 1278 CG PRO A 85 0.593 -12.031 7.783 1.00 0.00 C ATOM 1279 CD PRO A 85 -0.738 -12.081 8.499 1.00 0.00 C ATOM 0 HA PRO A 85 0.633 -9.378 9.801 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.131 -10.517 7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.949 -11.357 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.458 -11.801 6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.101 -12.994 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.561 -12.254 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.768 -12.883 9.236 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.708 -9.070 6.895 1.00 0.00 N ATOM 1288 CA HIS A 86 -0.963 -8.094 5.817 1.00 0.00 C ATOM 1289 C HIS A 86 0.324 -7.780 5.081 1.00 0.00 C ATOM 1290 O HIS A 86 0.597 -6.640 4.734 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.544 -6.813 6.414 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.936 -6.950 6.902 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.837 -6.008 6.619 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.523 -7.935 7.627 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.979 -6.397 7.162 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.832 -7.573 7.787 1.00 0.00 N ATOM 0 H HIS A 86 -1.273 -9.917 6.834 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.676 -8.521 5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.911 -6.490 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.510 -6.026 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.049 -8.830 8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.904 -5.842 7.109 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.554 -8.095 8.284 1.00 0.00 H new ATOM 1304 N CYS A 87 1.014 -8.818 4.719 1.00 0.00 N ATOM 1305 CA CYS A 87 2.385 -8.689 4.253 1.00 0.00 C ATOM 1306 C CYS A 87 2.498 -8.570 2.770 1.00 0.00 C ATOM 1307 O CYS A 87 3.597 -8.725 2.202 1.00 0.00 O ATOM 1308 CB CYS A 87 3.165 -9.902 4.705 1.00 0.00 C ATOM 1309 SG CYS A 87 2.303 -11.475 4.424 1.00 0.00 S ATOM 0 H CYS A 87 0.659 -9.774 4.733 1.00 0.00 H new ATOM 0 HA CYS A 87 2.784 -7.768 4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.121 -9.924 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.386 -9.805 5.768 1.00 0.00 H new ATOM 0 HG CYS A 87 2.814 -12.393 5.190 1.00 0.00 H new ATOM 1315 N LEU A 88 1.399 -8.320 2.146 1.00 0.00 N ATOM 1316 CA LEU A 88 1.332 -8.277 0.719 1.00 0.00 C ATOM 1317 C LEU A 88 0.912 -6.960 0.274 1.00 0.00 C ATOM 1318 O LEU A 88 -0.118 -6.450 0.699 1.00 0.00 O ATOM 1319 CB LEU A 88 0.444 -9.364 0.152 1.00 0.00 C ATOM 1320 CG LEU A 88 0.968 -10.759 0.331 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.293 -11.735 -0.559 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.429 -10.833 0.115 1.00 0.00 C ATOM 0 H LEU A 88 0.511 -8.137 2.613 1.00 0.00 H new ATOM 0 HA LEU A 88 2.334 -8.469 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.537 -9.296 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.300 -9.178 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 88 0.748 -11.024 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.708 -12.729 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.775 -11.747 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.449 -11.448 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.766 -11.860 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.664 -10.509 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.936 -10.185 0.830 1.00 0.00 H new ATOM 1334 N VAL A 89 1.722 -6.390 -0.561 1.00 0.00 N ATOM 1335 CA VAL A 89 1.446 -5.104 -1.113 1.00 0.00 C ATOM 1336 C VAL A 89 1.776 -5.112 -2.582 1.00 0.00 C ATOM 1337 O VAL A 89 2.650 -5.853 -3.018 1.00 0.00 O ATOM 1338 CB VAL A 89 2.262 -3.973 -0.433 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.937 -3.837 1.035 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.750 -4.172 -0.631 1.00 0.00 C ATOM 0 H VAL A 89 2.597 -6.806 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 89 0.388 -4.903 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 89 1.970 -3.043 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.533 -3.033 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.878 -3.608 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.165 -4.772 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.293 -3.363 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.051 -5.125 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.979 -4.171 -1.697 1.00 0.00 H new ATOM 1350 N LEU A 90 1.045 -4.379 -3.342 1.00 0.00 N ATOM 1351 CA LEU A 90 1.357 -4.213 -4.725 1.00 0.00 C ATOM 1352 C LEU A 90 1.802 -2.791 -4.940 1.00 0.00 C ATOM 1353 O LEU A 90 1.434 -1.906 -4.175 1.00 0.00 O ATOM 1354 CB LEU A 90 0.130 -4.576 -5.601 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.023 -3.585 -5.607 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.817 -2.544 -6.661 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.359 -4.254 -5.775 1.00 0.00 C ATOM 0 H LEU A 90 0.215 -3.876 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 90 2.164 -4.884 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.472 -4.706 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.252 -5.541 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.032 -3.103 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.653 -1.844 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.110 -2.006 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.758 -3.023 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.146 -3.500 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.378 -4.795 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.522 -4.952 -4.954 1.00 0.00 H new ATOM 1369 N SER A 91 2.566 -2.567 -5.944 1.00 0.00 N ATOM 1370 CA SER A 91 3.060 -1.260 -6.233 1.00 0.00 C ATOM 1371 C SER A 91 2.155 -0.556 -7.227 1.00 0.00 C ATOM 1372 O SER A 91 1.702 -1.144 -8.191 1.00 0.00 O ATOM 1373 CB SER A 91 4.491 -1.357 -6.783 1.00 0.00 C ATOM 1374 OG SER A 91 4.548 -1.770 -8.131 1.00 0.00 O ATOM 0 H SER A 91 2.873 -3.287 -6.598 1.00 0.00 H new ATOM 0 HA SER A 91 3.073 -0.675 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.975 -0.385 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.060 -2.058 -6.172 1.00 0.00 H new ATOM 0 HG SER A 91 5.410 -2.202 -8.304 1.00 0.00 H new ATOM 1380 N LEU A 92 1.901 0.688 -6.992 1.00 0.00 N ATOM 1381 CA LEU A 92 1.133 1.507 -7.912 1.00 0.00 C ATOM 1382 C LEU A 92 2.064 2.210 -8.867 1.00 0.00 C ATOM 1383 O LEU A 92 1.677 3.117 -9.600 1.00 0.00 O ATOM 1384 CB LEU A 92 0.330 2.501 -7.117 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.797 1.883 -6.322 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.284 2.834 -5.320 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.927 1.564 -7.232 1.00 0.00 C ATOM 0 H LEU A 92 2.215 1.181 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 92 0.455 0.885 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.996 3.028 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.084 3.246 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.425 0.981 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.096 2.380 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.471 3.098 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.648 3.733 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.740 1.118 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.278 2.478 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.592 0.861 -7.995 1.00 0.00 H new ATOM 1399 N ASP A 93 3.282 1.754 -8.868 1.00 0.00 N ATOM 1400 CA ASP A 93 4.324 2.336 -9.668 1.00 0.00 C ATOM 1401 C ASP A 93 4.537 1.521 -10.898 1.00 0.00 C ATOM 1402 O ASP A 93 4.413 2.021 -12.021 1.00 0.00 O ATOM 1403 CB ASP A 93 5.631 2.457 -8.871 1.00 0.00 C ATOM 1404 CG ASP A 93 5.594 3.553 -7.829 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.982 3.358 -6.743 1.00 0.00 O ATOM 1406 OD2 ASP A 93 6.179 4.638 -8.084 1.00 0.00 O ATOM 0 H ASP A 93 3.585 0.958 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 93 4.015 3.341 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.840 1.506 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.453 2.648 -9.561 1.00 0.00 H new ATOM 1411 N ASN A 94 4.813 0.258 -10.709 1.00 0.00 N ATOM 1412 CA ASN A 94 5.062 -0.609 -11.854 1.00 0.00 C ATOM 1413 C ASN A 94 4.150 -1.806 -11.775 1.00 0.00 C ATOM 1414 O ASN A 94 4.184 -2.693 -12.623 1.00 0.00 O ATOM 1415 CB ASN A 94 6.547 -1.033 -11.917 1.00 0.00 C ATOM 1416 CG ASN A 94 6.919 -1.797 -13.195 1.00 0.00 C ATOM 1417 OD1 ASN A 94 6.304 -1.623 -14.263 1.00 0.00 O ATOM 1418 ND2 ASN A 94 7.930 -2.623 -13.109 1.00 0.00 N ATOM 0 H ASN A 94 4.873 -0.196 -9.798 1.00 0.00 H new ATOM 0 HA ASN A 94 4.849 -0.063 -12.773 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.173 -0.144 -11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.774 -1.657 -11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.233 -3.145 -13.931 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.415 -2.745 -12.220 1.00 0.00 H new ATOM 1425 N TRP A 95 3.307 -1.802 -10.746 1.00 0.00 N ATOM 1426 CA TRP A 95 2.356 -2.861 -10.502 1.00 0.00 C ATOM 1427 C TRP A 95 3.046 -4.175 -10.287 1.00 0.00 C ATOM 1428 O TRP A 95 2.977 -5.087 -11.123 1.00 0.00 O ATOM 1429 CB TRP A 95 1.273 -2.945 -11.586 1.00 0.00 C ATOM 1430 CG TRP A 95 0.439 -1.713 -11.646 1.00 0.00 C ATOM 1431 CD1 TRP A 95 0.670 -0.603 -12.391 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.753 -1.461 -10.911 1.00 0.00 C ATOM 1433 NE1 TRP A 95 -0.307 0.320 -12.164 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -1.194 -0.179 -11.260 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.488 -2.198 -9.996 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -2.344 0.387 -10.721 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.625 -1.643 -9.461 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -3.045 -0.362 -9.823 1.00 0.00 C ATOM 0 H TRP A 95 3.272 -1.052 -10.056 1.00 0.00 H new ATOM 0 HA TRP A 95 1.835 -2.611 -9.578 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.744 -3.110 -12.555 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.633 -3.806 -11.392 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.504 -0.470 -13.064 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.364 1.239 -12.602 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.173 -3.190 -9.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.668 1.378 -11.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.205 -2.209 -8.747 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.944 0.044 -9.383 1.00 0.00 H new ATOM 1449 N SER A 96 3.832 -4.224 -9.247 1.00 0.00 N ATOM 1450 CA SER A 96 4.440 -5.448 -8.859 1.00 0.00 C ATOM 1451 C SER A 96 3.873 -5.830 -7.545 1.00 0.00 C ATOM 1452 O SER A 96 3.168 -5.044 -6.933 1.00 0.00 O ATOM 1453 CB SER A 96 5.935 -5.309 -8.719 1.00 0.00 C ATOM 1454 OG SER A 96 6.502 -4.668 -9.866 1.00 0.00 O ATOM 0 H SER A 96 4.061 -3.424 -8.657 1.00 0.00 H new ATOM 0 HA SER A 96 4.245 -6.200 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.168 -4.732 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.384 -6.294 -8.589 1.00 0.00 H new ATOM 0 HG SER A 96 7.472 -4.588 -9.750 1.00 0.00 H new ATOM 1460 N VAL A 97 4.178 -6.984 -7.103 1.00 0.00 N ATOM 1461 CA VAL A 97 3.750 -7.416 -5.830 1.00 0.00 C ATOM 1462 C VAL A 97 4.956 -7.654 -4.960 1.00 0.00 C ATOM 1463 O VAL A 97 5.951 -8.189 -5.425 1.00 0.00 O ATOM 1464 CB VAL A 97 2.892 -8.688 -5.940 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.733 -9.330 -4.616 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.534 -8.356 -6.455 1.00 0.00 C ATOM 0 H VAL A 97 4.737 -7.665 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 97 3.128 -6.643 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 97 3.401 -9.367 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.123 -10.227 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.713 -9.600 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.246 -8.636 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.939 -9.267 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.047 -7.658 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.620 -7.900 -7.441 1.00 0.00 H new ATOM 1476 N TRP A 98 4.867 -7.264 -3.728 1.00 0.00 N ATOM 1477 CA TRP A 98 5.921 -7.469 -2.813 1.00 0.00 C ATOM 1478 C TRP A 98 5.385 -8.263 -1.650 1.00 0.00 C ATOM 1479 O TRP A 98 4.273 -7.958 -1.126 1.00 0.00 O ATOM 1480 CB TRP A 98 6.524 -6.160 -2.298 1.00 0.00 C ATOM 1481 CG TRP A 98 7.812 -6.420 -1.602 1.00 0.00 C ATOM 1482 CD1 TRP A 98 8.023 -6.529 -0.260 1.00 0.00 C ATOM 1483 CD2 TRP A 98 9.061 -6.673 -2.230 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.330 -6.848 -0.021 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.988 -6.933 -1.215 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.487 -6.702 -3.563 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.307 -7.229 -1.482 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.803 -6.991 -3.832 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.706 -7.255 -2.795 1.00 0.00 C ATOM 0 H TRP A 98 4.052 -6.792 -3.336 1.00 0.00 H new ATOM 0 HA TRP A 98 6.719 -8.002 -3.330 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.685 -5.474 -3.130 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.826 -5.675 -1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.270 -6.385 0.501 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.746 -6.998 0.898 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.793 -6.501 -4.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 12.005 -7.434 -0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.145 -7.015 -4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.735 -7.483 -3.032 1.00 0.00 H new ATOM 1500 N CYS A 99 6.130 -9.283 -1.256 1.00 0.00 N ATOM 1501 CA CYS A 99 5.800 -10.028 -0.092 1.00 0.00 C ATOM 1502 C CYS A 99 6.873 -9.786 0.889 1.00 0.00 C ATOM 1503 O CYS A 99 8.002 -10.211 0.674 1.00 0.00 O ATOM 1504 CB CYS A 99 5.645 -11.539 -0.346 1.00 0.00 C ATOM 1505 SG CYS A 99 5.491 -12.499 1.184 1.00 0.00 S ATOM 0 H CYS A 99 6.969 -9.601 -1.741 1.00 0.00 H new ATOM 0 HA CYS A 99 4.826 -9.697 0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.765 -11.710 -0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.506 -11.898 -0.909 1.00 0.00 H new ATOM 1510 N TYR A 100 6.538 -9.119 1.954 1.00 0.00 N ATOM 1511 CA TYR A 100 7.538 -8.733 2.952 1.00 0.00 C ATOM 1512 C TYR A 100 8.162 -9.948 3.616 1.00 0.00 C ATOM 1513 O TYR A 100 9.356 -10.014 3.818 1.00 0.00 O ATOM 1514 CB TYR A 100 6.941 -7.860 4.027 1.00 0.00 C ATOM 1515 CG TYR A 100 6.386 -6.537 3.600 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.219 -5.474 3.240 1.00 0.00 C ATOM 1517 CD2 TYR A 100 5.025 -6.330 3.602 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.696 -4.258 2.894 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.494 -5.110 3.250 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.340 -4.079 2.896 1.00 0.00 C ATOM 1521 OH TYR A 100 4.823 -2.857 2.557 1.00 0.00 O ATOM 0 H TYR A 100 5.586 -8.823 2.169 1.00 0.00 H new ATOM 0 HA TYR A 100 8.305 -8.176 2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.143 -8.421 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.708 -7.678 4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.290 -5.614 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.364 -7.137 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.351 -3.444 2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.424 -4.961 3.251 1.00 0.00 H new ATOM 0 HH TYR A 100 5.222 -2.555 1.714 1.00 0.00 H new ATOM 1531 N VAL A 101 7.354 -10.926 3.879 1.00 0.00 N ATOM 1532 CA VAL A 101 7.789 -12.083 4.652 1.00 0.00 C ATOM 1533 C VAL A 101 8.572 -13.106 3.785 1.00 0.00 C ATOM 1534 O VAL A 101 9.316 -13.940 4.300 1.00 0.00 O ATOM 1535 CB VAL A 101 6.584 -12.711 5.379 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.544 -13.080 4.388 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.968 -13.892 6.269 1.00 0.00 C ATOM 0 H VAL A 101 6.381 -10.961 3.575 1.00 0.00 H new ATOM 0 HA VAL A 101 8.497 -11.748 5.410 1.00 0.00 H new ATOM 0 HB VAL A 101 6.179 -11.962 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.692 -13.524 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.219 -12.188 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.955 -13.799 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.075 -14.289 6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.428 -14.671 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.675 -13.560 7.029 1.00 0.00 H new ATOM 1547 N CYS A 102 8.409 -13.034 2.469 1.00 0.00 N ATOM 1548 CA CYS A 102 9.240 -13.836 1.593 1.00 0.00 C ATOM 1549 C CYS A 102 10.462 -13.019 1.288 1.00 0.00 C ATOM 1550 O CYS A 102 11.571 -13.537 1.150 1.00 0.00 O ATOM 1551 CB CYS A 102 8.552 -14.149 0.277 1.00 0.00 C ATOM 1552 SG CYS A 102 7.398 -15.518 0.229 1.00 0.00 S ATOM 0 H CYS A 102 7.725 -12.442 1.998 1.00 0.00 H new ATOM 0 HA CYS A 102 9.465 -14.781 2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.019 -13.253 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.326 -14.340 -0.466 1.00 0.00 H new ATOM 1557 N ASP A 103 10.216 -11.723 1.240 1.00 0.00 N ATOM 1558 CA ASP A 103 11.192 -10.692 0.898 1.00 0.00 C ATOM 1559 C ASP A 103 11.620 -10.830 -0.545 1.00 0.00 C ATOM 1560 O ASP A 103 12.800 -10.976 -0.874 1.00 0.00 O ATOM 1561 CB ASP A 103 12.386 -10.638 1.874 1.00 0.00 C ATOM 1562 CG ASP A 103 13.355 -9.488 1.596 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.960 -8.307 1.716 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.549 -9.747 1.295 1.00 0.00 O ATOM 0 H ASP A 103 9.294 -11.339 1.446 1.00 0.00 H new ATOM 0 HA ASP A 103 10.700 -9.726 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.008 -10.545 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.930 -11.581 1.821 1.00 0.00 H new ATOM 1569 N ASN A 104 10.638 -10.831 -1.417 1.00 0.00 N ATOM 1570 CA ASN A 104 10.870 -10.872 -2.808 1.00 0.00 C ATOM 1571 C ASN A 104 9.649 -10.252 -3.489 1.00 0.00 C ATOM 1572 O ASN A 104 8.634 -9.921 -2.820 1.00 0.00 O ATOM 1573 CB ASN A 104 11.033 -12.308 -3.288 1.00 0.00 C ATOM 1574 CG ASN A 104 9.713 -13.012 -3.295 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.335 -13.644 -2.379 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.020 -12.898 -4.346 1.00 0.00 N ATOM 0 H ASN A 104 9.652 -10.803 -1.159 1.00 0.00 H new ATOM 0 HA ASN A 104 11.784 -10.329 -3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.461 -12.316 -4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.731 -12.837 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.113 -13.360 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.368 -12.344 -5.129 1.00 0.00 H new ATOM 1583 N GLU A 105 9.728 -10.177 -4.796 1.00 0.00 N ATOM 1584 CA GLU A 105 8.694 -9.670 -5.636 1.00 0.00 C ATOM 1585 C GLU A 105 7.893 -10.826 -6.235 1.00 0.00 C ATOM 1586 O GLU A 105 8.483 -11.778 -6.745 1.00 0.00 O ATOM 1587 CB GLU A 105 9.392 -8.973 -6.730 1.00 0.00 C ATOM 1588 CG GLU A 105 8.501 -8.149 -7.589 1.00 0.00 C ATOM 1589 CD GLU A 105 9.277 -7.366 -8.603 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.702 -7.956 -9.618 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.531 -6.174 -8.387 1.00 0.00 O ATOM 0 H GLU A 105 10.552 -10.482 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 105 8.011 -9.024 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.164 -8.332 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.898 -9.711 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.786 -8.796 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.924 -7.466 -6.965 1.00 0.00 H new ATOM 1598 N VAL A 106 6.597 -10.756 -6.198 1.00 0.00 N ATOM 1599 CA VAL A 106 5.793 -11.853 -6.687 1.00 0.00 C ATOM 1600 C VAL A 106 5.383 -11.605 -8.132 1.00 0.00 C ATOM 1601 O VAL A 106 5.018 -10.480 -8.505 1.00 0.00 O ATOM 1602 CB VAL A 106 4.558 -12.136 -5.797 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.918 -13.457 -6.214 1.00 0.00 C ATOM 1604 CG2 VAL A 106 4.976 -12.200 -4.331 1.00 0.00 C ATOM 0 H VAL A 106 6.069 -9.960 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 106 6.412 -12.749 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 106 3.834 -11.331 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.049 -13.654 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.606 -13.397 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.641 -14.264 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.101 -12.399 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.706 -12.998 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.419 -11.249 -4.037 1.00 0.00 H new ATOM 1614 N GLN A 107 5.441 -12.660 -8.923 1.00 0.00 N ATOM 1615 CA GLN A 107 5.249 -12.592 -10.364 1.00 0.00 C ATOM 1616 C GLN A 107 3.780 -12.675 -10.745 1.00 0.00 C ATOM 1617 O GLN A 107 3.321 -11.906 -11.575 1.00 0.00 O ATOM 1618 CB GLN A 107 6.036 -13.716 -11.088 1.00 0.00 C ATOM 1619 CG GLN A 107 7.480 -13.926 -10.597 1.00 0.00 C ATOM 1620 CD GLN A 107 7.545 -14.678 -9.265 1.00 0.00 C ATOM 1621 OE1 GLN A 107 6.692 -15.526 -8.971 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.476 -14.340 -8.435 1.00 0.00 N ATOM 0 H GLN A 107 5.625 -13.603 -8.580 1.00 0.00 H new ATOM 0 HA GLN A 107 5.633 -11.623 -10.684 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.490 -14.652 -10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.061 -13.491 -12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.039 -14.480 -11.351 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.967 -12.957 -10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.167 -13.639 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.520 -14.775 -7.513 1.00 0.00 H new ATOM 1631 N TYR A 108 3.057 -13.603 -10.097 1.00 0.00 N ATOM 1632 CA TYR A 108 1.611 -13.916 -10.329 1.00 0.00 C ATOM 1633 C TYR A 108 1.226 -14.186 -11.789 1.00 0.00 C ATOM 1634 O TYR A 108 2.033 -14.070 -12.717 1.00 0.00 O ATOM 1635 CB TYR A 108 0.621 -12.931 -9.642 1.00 0.00 C ATOM 1636 CG TYR A 108 0.833 -11.497 -9.961 1.00 0.00 C ATOM 1637 CD1 TYR A 108 0.251 -10.904 -11.070 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.646 -10.744 -9.167 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.493 -9.590 -11.366 1.00 0.00 C ATOM 1640 CE2 TYR A 108 1.891 -9.450 -9.443 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.321 -8.863 -10.543 1.00 0.00 C ATOM 1642 OH TYR A 108 1.594 -7.559 -10.825 1.00 0.00 O ATOM 0 H TYR A 108 3.466 -14.186 -9.367 1.00 0.00 H new ATOM 0 HA TYR A 108 1.498 -14.872 -9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.395 -13.204 -9.928 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.694 -13.061 -8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.400 -11.484 -11.707 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.103 -11.195 -8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.041 -9.131 -12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.537 -8.873 -8.798 1.00 0.00 H new ATOM 0 HH TYR A 108 2.524 -7.361 -10.589 1.00 0.00 H new ATOM 1652 N CYS A 109 0.010 -14.585 -11.967 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.540 -14.878 -13.248 1.00 0.00 C ATOM 1654 C CYS A 109 -1.948 -14.342 -13.247 1.00 0.00 C ATOM 1655 O CYS A 109 -2.531 -14.181 -12.175 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.540 -16.403 -13.483 1.00 0.00 C ATOM 1657 SG CYS A 109 -1.199 -16.934 -15.083 1.00 0.00 S ATOM 0 H CYS A 109 -0.649 -14.720 -11.200 1.00 0.00 H new ATOM 0 HA CYS A 109 0.046 -14.422 -14.046 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.482 -16.769 -13.389 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.122 -16.877 -12.693 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.336 -17.539 -14.905 1.00 0.00 H new ATOM 1663 N SER A 110 -2.494 -14.078 -14.405 1.00 0.00 N ATOM 1664 CA SER A 110 -3.834 -13.539 -14.528 1.00 0.00 C ATOM 1665 C SER A 110 -4.913 -14.536 -14.052 1.00 0.00 C ATOM 1666 O SER A 110 -6.023 -14.139 -13.690 1.00 0.00 O ATOM 1667 CB SER A 110 -4.054 -13.101 -15.970 1.00 0.00 C ATOM 1668 OG SER A 110 -3.586 -14.101 -16.876 1.00 0.00 O ATOM 0 H SER A 110 -2.024 -14.230 -15.297 1.00 0.00 H new ATOM 0 HA SER A 110 -3.930 -12.674 -13.872 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.114 -12.915 -16.141 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.532 -12.162 -16.154 1.00 0.00 H new ATOM 0 HG SER A 110 -3.737 -13.804 -17.798 1.00 0.00 H new ATOM 1674 N SER A 111 -4.573 -15.814 -14.047 1.00 0.00 N ATOM 1675 CA SER A 111 -5.462 -16.853 -13.574 1.00 0.00 C ATOM 1676 C SER A 111 -5.266 -17.095 -12.080 1.00 0.00 C ATOM 1677 O SER A 111 -6.094 -17.719 -11.419 1.00 0.00 O ATOM 1678 CB SER A 111 -5.189 -18.121 -14.367 1.00 0.00 C ATOM 1679 OG SER A 111 -3.782 -18.390 -14.399 1.00 0.00 O ATOM 0 H SER A 111 -3.669 -16.158 -14.372 1.00 0.00 H new ATOM 0 HA SER A 111 -6.497 -16.545 -13.720 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.717 -18.961 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.569 -18.013 -15.383 1.00 0.00 H new ATOM 0 HG SER A 111 -3.617 -19.209 -14.911 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.182 -16.585 -11.554 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.867 -16.747 -10.156 1.00 0.00 C ATOM 1687 C ASN A 112 -4.572 -15.659 -9.401 1.00 0.00 C ATOM 1688 O ASN A 112 -4.627 -14.547 -9.883 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.358 -16.638 -9.926 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.968 -16.811 -8.468 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.967 -15.855 -7.702 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.615 -18.006 -8.087 1.00 0.00 N ATOM 0 H ASN A 112 -3.494 -16.047 -12.080 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.189 -17.731 -9.814 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.849 -17.393 -10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.011 -15.666 -10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.325 -18.169 -7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.628 -18.778 -8.753 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.107 -15.969 -8.231 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.882 -15.000 -7.420 1.00 0.00 C ATOM 1701 C GLN A 113 -5.116 -13.690 -7.195 1.00 0.00 C ATOM 1702 O GLN A 113 -5.709 -12.612 -7.209 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.243 -15.588 -6.062 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.127 -14.685 -5.215 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.200 -15.108 -3.767 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -6.358 -14.525 -2.953 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -8.024 -15.915 -3.383 1.00 0.00 N flip ATOM 0 H GLN A 113 -5.026 -16.892 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.788 -14.786 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.752 -16.540 -6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.325 -15.800 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.749 -13.664 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.133 -14.676 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.663 -16.348 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -8.076 -16.159 -2.394 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.812 -13.780 -7.030 1.00 0.00 N ATOM 1717 CA LEU A 114 -2.998 -12.617 -6.803 1.00 0.00 C ATOM 1718 C LEU A 114 -2.978 -11.754 -8.047 1.00 0.00 C ATOM 1719 O LEU A 114 -3.151 -10.542 -7.969 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.599 -13.063 -6.394 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.556 -11.982 -6.171 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -1.016 -10.970 -5.146 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.713 -12.621 -5.712 1.00 0.00 C ATOM 0 H LEU A 114 -3.295 -14.659 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.412 -12.013 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.686 -13.642 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.224 -13.739 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.398 -11.454 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.245 -10.212 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.935 -10.496 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.200 -11.472 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.469 -11.853 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.534 -13.157 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.064 -13.320 -6.471 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.868 -12.395 -9.187 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.908 -11.677 -10.431 1.00 0.00 C ATOM 1737 C GLY A 115 -4.288 -11.142 -10.690 1.00 0.00 C ATOM 1738 O GLY A 115 -4.437 -10.012 -11.126 1.00 0.00 O ATOM 0 H GLY A 115 -2.751 -13.404 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.193 -10.855 -10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.609 -12.335 -11.247 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.311 -11.960 -10.397 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.722 -11.580 -10.539 1.00 0.00 C ATOM 1744 C GLN A 116 -7.029 -10.332 -9.779 1.00 0.00 C ATOM 1745 O GLN A 116 -7.698 -9.414 -10.291 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.640 -12.699 -10.025 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.469 -13.983 -10.768 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.514 -15.030 -10.448 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -8.177 -15.954 -9.610 1.00 0.00 O flip ATOM 1750 NE2 GLN A 116 -9.588 -15.054 -11.042 1.00 0.00 N flip ATOM 0 H GLN A 116 -5.179 -12.911 -10.052 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.900 -11.409 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.439 -12.869 -8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.678 -12.375 -10.105 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.494 -13.776 -11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.483 -14.390 -10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.825 -14.309 -11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.243 -15.819 -10.880 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.502 -10.258 -8.591 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.776 -9.135 -7.770 1.00 0.00 C ATOM 1761 C VAL A 117 -5.999 -7.929 -8.217 1.00 0.00 C ATOM 1762 O VAL A 117 -6.563 -6.884 -8.349 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.656 -9.412 -6.267 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.534 -8.122 -5.484 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.899 -10.137 -5.840 1.00 0.00 C ATOM 0 H VAL A 117 -5.887 -10.960 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.833 -8.907 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.763 -10.006 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.450 -8.348 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.646 -7.581 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.418 -7.507 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.847 -10.351 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.771 -9.515 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.983 -11.072 -6.393 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.717 -8.087 -8.485 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.898 -6.972 -9.033 1.00 0.00 C ATOM 1777 C VAL A 118 -4.525 -6.403 -10.296 1.00 0.00 C ATOM 1778 O VAL A 118 -4.571 -5.197 -10.484 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.434 -7.396 -9.335 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.659 -6.271 -10.030 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.718 -7.771 -8.066 1.00 0.00 C ATOM 0 H VAL A 118 -4.206 -8.958 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.874 -6.207 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.479 -8.258 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.639 -6.600 -10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.148 -6.020 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.639 -5.392 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.695 -8.065 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.705 -6.917 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.235 -8.604 -7.589 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.070 -7.271 -11.103 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.747 -6.883 -12.360 1.00 0.00 C ATOM 1793 C ASP A 119 -6.991 -6.068 -12.015 1.00 0.00 C ATOM 1794 O ASP A 119 -7.237 -4.958 -12.557 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.161 -8.152 -13.114 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.926 -7.891 -14.386 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -8.177 -7.732 -14.336 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -6.306 -7.890 -15.466 1.00 0.00 O ATOM 0 H ASP A 119 -5.070 -8.276 -10.928 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.078 -6.290 -12.983 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.267 -8.728 -13.352 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.772 -8.770 -12.456 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.723 -6.590 -11.051 1.00 0.00 N ATOM 1804 CA TYR A 120 -8.938 -5.967 -10.563 1.00 0.00 C ATOM 1805 C TYR A 120 -8.613 -4.591 -9.953 1.00 0.00 C ATOM 1806 O TYR A 120 -9.198 -3.569 -10.310 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.664 -6.919 -9.549 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.388 -6.211 -8.444 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.600 -5.599 -8.642 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -9.801 -6.111 -7.201 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.193 -4.889 -7.634 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.388 -5.427 -6.195 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.577 -4.806 -6.414 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.137 -4.073 -5.423 1.00 0.00 O ATOM 0 H TYR A 120 -7.490 -7.465 -10.581 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.626 -5.799 -11.392 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.376 -7.537 -10.096 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.928 -7.593 -9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.090 -5.678 -9.601 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.849 -6.591 -7.027 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.140 -4.397 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.917 -5.374 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 120 -12.826 -3.487 -5.799 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.628 -4.560 -9.124 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.250 -3.368 -8.413 1.00 0.00 C ATOM 1826 C VAL A 121 -6.687 -2.346 -9.378 1.00 0.00 C ATOM 1827 O VAL A 121 -6.869 -1.137 -9.207 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.214 -3.683 -7.299 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.723 -2.439 -6.633 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.794 -4.611 -6.267 1.00 0.00 C ATOM 0 H VAL A 121 -7.047 -5.371 -8.911 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.141 -2.959 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.369 -4.172 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.000 -2.701 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.247 -1.795 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.563 -1.913 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.047 -4.814 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.667 -4.146 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.089 -5.546 -6.743 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.066 -2.833 -10.415 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.540 -1.994 -11.420 1.00 0.00 C ATOM 1842 C ARG A 122 -6.659 -1.332 -12.154 1.00 0.00 C ATOM 1843 O ARG A 122 -6.566 -0.167 -12.502 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.622 -2.752 -12.342 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.914 -1.873 -13.327 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.594 -2.503 -13.722 1.00 0.00 C ATOM 1847 NE ARG A 122 -1.858 -1.728 -14.721 1.00 0.00 N ATOM 1848 CZ ARG A 122 -1.222 -2.253 -15.776 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -1.387 -3.544 -16.093 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -0.462 -1.475 -16.529 1.00 0.00 N ATOM 0 H ARG A 122 -5.917 -3.829 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.932 -1.218 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.883 -3.288 -11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.200 -3.501 -12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.536 -1.726 -14.210 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.742 -0.889 -12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.974 -2.618 -12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.780 -3.503 -14.113 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.827 -0.715 -14.606 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.000 -4.133 -15.530 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.900 -3.938 -16.898 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.365 -0.485 -16.304 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.027 -1.865 -17.335 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.746 -2.045 -12.327 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.895 -1.518 -12.907 1.00 0.00 C ATOM 1866 C LYS A 123 -9.622 -0.573 -11.923 1.00 0.00 C ATOM 1867 O LYS A 123 -10.360 0.304 -12.335 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.766 -2.675 -13.327 1.00 0.00 C ATOM 1869 CG LYS A 123 -11.085 -2.249 -13.798 1.00 0.00 C ATOM 1870 CD LYS A 123 -11.844 -3.368 -14.442 1.00 0.00 C ATOM 1871 CE LYS A 123 -13.234 -2.912 -14.849 1.00 0.00 C ATOM 1872 NZ LYS A 123 -14.045 -2.515 -13.674 1.00 0.00 N ATOM 0 H LYS A 123 -7.829 -3.024 -12.053 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.645 -0.915 -13.780 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -9.265 -3.233 -14.118 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -9.888 -3.356 -12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.660 -1.858 -12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.968 -1.433 -14.512 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.302 -3.724 -15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -11.919 -4.207 -13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.154 -2.071 -15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -13.739 -3.716 -15.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -15.052 -2.504 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -13.894 -3.196 -12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -13.759 -1.566 -13.359 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.385 -0.742 -10.618 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.994 0.174 -9.646 1.00 0.00 C ATOM 1888 C GLN A 124 -9.306 1.513 -9.713 1.00 0.00 C ATOM 1889 O GLN A 124 -9.937 2.569 -9.769 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.901 -0.301 -8.195 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.649 -1.560 -7.867 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.816 -1.825 -8.759 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.939 -1.389 -8.523 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.559 -2.573 -9.764 1.00 0.00 N ATOM 0 H GLN A 124 -8.799 -1.475 -10.220 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.048 0.226 -9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.850 -0.452 -7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.268 0.496 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.962 -2.404 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.999 -1.504 -6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.609 -2.911 -9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.304 -2.832 -10.411 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.991 1.441 -9.686 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.133 2.595 -9.689 1.00 0.00 C ATOM 1905 C ALA A 125 -7.131 3.300 -11.030 1.00 0.00 C ATOM 1906 O ALA A 125 -6.959 4.517 -11.094 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.742 2.195 -9.256 1.00 0.00 C ATOM 0 H ALA A 125 -7.484 0.557 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.524 3.318 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.094 3.071 -9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.780 1.776 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.347 1.449 -9.945 1.00 0.00 H new ATOM 1913 N SER A 126 -7.272 2.551 -12.092 1.00 0.00 N ATOM 1914 CA SER A 126 -7.442 3.162 -13.393 1.00 0.00 C ATOM 1915 C SER A 126 -8.902 3.642 -13.545 1.00 0.00 C ATOM 1916 O SER A 126 -9.752 2.886 -14.052 1.00 0.00 O ATOM 1917 CB SER A 126 -7.073 2.178 -14.502 1.00 0.00 C ATOM 1918 OG SER A 126 -5.766 1.640 -14.291 1.00 0.00 O ATOM 1919 OXT SER A 126 -9.216 4.777 -13.127 1.00 0.00 O ATOM 0 H SER A 126 -7.273 1.531 -12.088 1.00 0.00 H new ATOM 0 HA SER A 126 -6.776 4.020 -13.478 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.803 1.369 -14.534 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.112 2.681 -15.468 1.00 0.00 H new ATOM 0 HG SER A 126 -5.812 0.918 -13.630 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.453 7.368 3.784 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.453 -4.300 5.481 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 5.321 -14.765 0.767 1.00 0.00 ZN