USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 ASN :FLIP amide:sc= -1.69 F(o=-7.2,f=-5.4) USER MOD Set 1.2: A 102 MET CE :methyl -175:sc= -3.66 (180deg=-3.44!) USER MOD Set 2.1: A 59 MET CE :methyl -153:sc= -3.73! (180deg=-7.22!) USER MOD Set 2.2: A 88 MET CE :methyl -179:sc= -0.934 (180deg=-0.941) USER MOD Set 3.1: A 51 THR OG1 : rot 98:sc= -0.0369 USER MOD Set 3.2: A 97 MET CE :methyl -154:sc= -2.06 (180deg=-3.74!) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0.0149 USER MOD Set 5.2: A 32 THR OG1 : rot 135:sc= 0.122 USER MOD Single : A 2 SER OG : rot 16:sc= 0.85 USER MOD Single : A 3 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-1.5) USER MOD Single : A 4 SER OG : rot 43:sc= 0.184 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -7.62! C(o=-7.6!,f=-12!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -45:sc= -0.0155 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -1.28 (180deg=-1.55) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -2.56 F(o=-3.6!,f=-2.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.262) USER MOD Single : A 49 GLN : amide:sc= -0.729 K(o=-0.73,f=-4.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 53:sc= -0.15 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.21) USER MOD Single : A 58 MET CE :methyl 167:sc= -6.35! (180deg=-7.19!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= -0.408! (180deg=-0.997) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 78 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.43) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -172:sc= -2.92 USER MOD Single : A 92 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.4) USER MOD Single : A 93 ASN : amide:sc= -0.64 K(o=-0.64,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0973 USER MOD Single : A 101 LYS NZ :NH3+ -147:sc= 0.904 (180deg=0.289) USER MOD Single : A 103 THR OG1 : rot -166:sc= 1.06 USER MOD Single : A 105 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.73) USER MOD Single : A 106 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.17) USER MOD Single : A 109 SER OG : rot 86:sc= 0.807 USER MOD Single : A 111 TYR OH : rot 100:sc= 0.102 USER MOD Single : A 112 LYS NZ :NH3+ -142:sc= 0.667 (180deg=-4.03!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc=-0.000944 K(o=-0.00094,f=-1.1) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.433 -5.393 10.182 1.00 0.00 N ATOM 2 CA PRO A 1 -13.322 -3.922 10.220 1.00 0.00 C ATOM 3 C PRO A 1 -12.276 -3.458 11.234 1.00 0.00 C ATOM 4 O PRO A 1 -12.503 -2.512 11.988 1.00 0.00 O ATOM 5 CB PRO A 1 -14.703 -3.391 10.586 1.00 0.00 C ATOM 6 CG PRO A 1 -15.442 -4.589 11.106 1.00 0.00 C ATOM 7 CD PRO A 1 -14.814 -5.813 10.470 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.797 -5.806 10.864 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.151 -5.738 9.264 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.994 -3.542 9.252 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.639 -2.606 11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -15.205 -2.961 9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.373 -4.642 12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -16.501 -4.526 10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.839 -6.670 11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.340 -6.106 9.561 1.00 0.00 H new ATOM 17 N SER A 2 -11.131 -4.132 11.243 1.00 0.00 N ATOM 18 CA SER A 2 -10.051 -3.790 12.162 1.00 0.00 C ATOM 19 C SER A 2 -8.713 -4.310 11.645 1.00 0.00 C ATOM 20 O SER A 2 -7.734 -3.568 11.578 1.00 0.00 O ATOM 21 CB SER A 2 -10.333 -4.369 13.550 1.00 0.00 C ATOM 22 OG SER A 2 -11.346 -3.634 14.213 1.00 0.00 O ATOM 0 H SER A 2 -10.927 -4.917 10.625 1.00 0.00 H new ATOM 0 HA SER A 2 -9.997 -2.704 12.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.637 -5.412 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.420 -4.355 14.146 1.00 0.00 H new ATOM 0 HG SER A 2 -11.821 -3.073 13.565 1.00 0.00 H new ATOM 28 N HIS A 3 -8.680 -5.586 11.282 1.00 0.00 N ATOM 29 CA HIS A 3 -7.460 -6.203 10.772 1.00 0.00 C ATOM 30 C HIS A 3 -7.765 -7.103 9.582 1.00 0.00 C ATOM 31 O HIS A 3 -7.115 -8.128 9.375 1.00 0.00 O ATOM 32 CB HIS A 3 -6.768 -6.987 11.883 1.00 0.00 C ATOM 33 CG HIS A 3 -6.245 -6.108 12.974 1.00 0.00 C ATOM 34 ND1 HIS A 3 -7.043 -5.597 13.974 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.999 -5.631 13.207 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.313 -4.841 14.774 1.00 0.00 C ATOM 37 NE2 HIS A 3 -5.069 -4.847 14.332 1.00 0.00 N ATOM 0 H HIS A 3 -9.482 -6.214 11.331 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.788 -5.416 10.430 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.470 -7.705 12.306 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.944 -7.560 11.458 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.116 -5.830 12.618 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.673 -4.308 15.642 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.287 -4.350 14.757 1.00 0.00 H new ATOM 46 N SER A 4 -8.754 -6.696 8.797 1.00 0.00 N ATOM 47 CA SER A 4 -9.157 -7.434 7.607 1.00 0.00 C ATOM 48 C SER A 4 -10.311 -6.736 6.907 1.00 0.00 C ATOM 49 O SER A 4 -11.382 -6.546 7.484 1.00 0.00 O ATOM 50 CB SER A 4 -9.560 -8.869 7.948 1.00 0.00 C ATOM 51 OG SER A 4 -10.562 -8.896 8.949 1.00 0.00 O ATOM 0 H SER A 4 -9.297 -5.849 8.966 1.00 0.00 H new ATOM 0 HA SER A 4 -8.296 -7.466 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.925 -9.370 7.051 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.686 -9.423 8.290 1.00 0.00 H new ATOM 0 HG SER A 4 -11.235 -8.211 8.756 1.00 0.00 H new ATOM 57 N GLY A 5 -10.086 -6.361 5.657 1.00 0.00 N ATOM 58 CA GLY A 5 -11.111 -5.693 4.890 1.00 0.00 C ATOM 59 C GLY A 5 -11.031 -6.036 3.420 1.00 0.00 C ATOM 60 O GLY A 5 -10.045 -5.712 2.758 1.00 0.00 O ATOM 0 H GLY A 5 -9.208 -6.509 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.092 -5.972 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.014 -4.615 5.017 1.00 0.00 H new ATOM 64 N ALA A 6 -12.070 -6.697 2.911 1.00 0.00 N ATOM 65 CA ALA A 6 -12.123 -7.094 1.502 1.00 0.00 C ATOM 66 C ALA A 6 -11.440 -6.060 0.614 1.00 0.00 C ATOM 67 O ALA A 6 -11.842 -4.897 0.577 1.00 0.00 O ATOM 68 CB ALA A 6 -13.565 -7.302 1.071 1.00 0.00 C ATOM 0 H ALA A 6 -12.889 -6.970 3.454 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.584 -8.035 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.592 -7.597 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.017 -8.085 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.121 -6.374 1.202 1.00 0.00 H new ATOM 74 N ALA A 7 -10.390 -6.483 -0.081 1.00 0.00 N ATOM 75 CA ALA A 7 -9.639 -5.574 -0.945 1.00 0.00 C ATOM 76 C ALA A 7 -9.364 -6.183 -2.317 1.00 0.00 C ATOM 77 O ALA A 7 -9.243 -7.398 -2.455 1.00 0.00 O ATOM 78 CB ALA A 7 -8.326 -5.187 -0.272 1.00 0.00 C ATOM 0 H ALA A 7 -10.040 -7.441 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.250 -4.685 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.771 -4.510 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.535 -4.692 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.733 -6.083 -0.090 1.00 0.00 H new ATOM 84 N ILE A 8 -9.252 -5.328 -3.331 1.00 0.00 N ATOM 85 CA ILE A 8 -8.973 -5.791 -4.686 1.00 0.00 C ATOM 86 C ILE A 8 -7.502 -5.620 -5.014 1.00 0.00 C ATOM 87 O ILE A 8 -6.950 -4.524 -4.913 1.00 0.00 O ATOM 88 CB ILE A 8 -9.832 -5.058 -5.742 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.245 -5.625 -5.735 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.235 -5.160 -7.138 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.267 -4.650 -5.238 1.00 0.00 C ATOM 0 H ILE A 8 -9.350 -4.317 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.234 -6.849 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.855 -4.001 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.510 -5.937 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.269 -6.517 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.873 -4.630 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.240 -4.714 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.164 -6.208 -7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.253 -5.115 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.024 -4.357 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.269 -3.767 -5.878 1.00 0.00 H new ATOM 103 N PHE A 9 -6.878 -6.713 -5.407 1.00 0.00 N ATOM 104 CA PHE A 9 -5.461 -6.693 -5.758 1.00 0.00 C ATOM 105 C PHE A 9 -5.256 -7.048 -7.226 1.00 0.00 C ATOM 106 O PHE A 9 -5.820 -8.019 -7.722 1.00 0.00 O ATOM 107 CB PHE A 9 -4.677 -7.660 -4.872 1.00 0.00 C ATOM 108 CG PHE A 9 -3.188 -7.467 -4.947 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.625 -6.227 -4.690 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.354 -8.522 -5.276 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.257 -6.044 -4.760 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.985 -8.347 -5.348 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.436 -7.104 -5.089 1.00 0.00 C ATOM 0 H PHE A 9 -7.323 -7.627 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.090 -5.682 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.000 -7.537 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.918 -8.683 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.263 -5.394 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.779 -9.494 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.831 -5.073 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.346 -9.178 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.633 -6.963 -5.144 1.00 0.00 H new ATOM 123 N GLU A 10 -4.445 -6.251 -7.917 1.00 0.00 N ATOM 124 CA GLU A 10 -4.170 -6.487 -9.330 1.00 0.00 C ATOM 125 C GLU A 10 -5.459 -6.496 -10.135 1.00 0.00 C ATOM 126 O GLU A 10 -5.590 -7.241 -11.106 1.00 0.00 O ATOM 127 CB GLU A 10 -3.432 -7.814 -9.512 1.00 0.00 C ATOM 128 CG GLU A 10 -2.142 -7.903 -8.716 1.00 0.00 C ATOM 129 CD GLU A 10 -1.403 -9.207 -8.941 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.992 -10.128 -9.547 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.235 -9.310 -8.511 1.00 0.00 O ATOM 0 H GLU A 10 -3.969 -5.440 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.539 -5.676 -9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.090 -8.631 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.208 -7.954 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.493 -7.071 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.367 -7.796 -7.655 1.00 0.00 H new ATOM 138 N LYS A 11 -6.423 -5.679 -9.711 1.00 0.00 N ATOM 139 CA LYS A 11 -7.716 -5.612 -10.381 1.00 0.00 C ATOM 140 C LYS A 11 -8.550 -6.839 -10.029 1.00 0.00 C ATOM 141 O LYS A 11 -9.680 -6.991 -10.494 1.00 0.00 O ATOM 142 CB LYS A 11 -7.545 -5.507 -11.902 1.00 0.00 C ATOM 143 CG LYS A 11 -6.501 -4.488 -12.327 1.00 0.00 C ATOM 144 CD LYS A 11 -6.467 -4.324 -13.838 1.00 0.00 C ATOM 145 CE LYS A 11 -5.342 -3.398 -14.272 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.800 -1.987 -14.394 1.00 0.00 N ATOM 0 H LYS A 11 -6.331 -5.057 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.233 -4.716 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.268 -6.485 -12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.503 -5.242 -12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.718 -3.527 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.519 -4.801 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.339 -5.299 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.421 -3.926 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.527 -3.454 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.944 -3.734 -15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.004 -1.388 -14.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.560 -1.929 -15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.156 -1.657 -13.474 1.00 0.00 H new ATOM 160 N VAL A 12 -7.987 -7.706 -9.187 1.00 0.00 N ATOM 161 CA VAL A 12 -8.673 -8.902 -8.753 1.00 0.00 C ATOM 162 C VAL A 12 -9.236 -8.693 -7.373 1.00 0.00 C ATOM 163 O VAL A 12 -8.638 -8.018 -6.540 1.00 0.00 O ATOM 164 CB VAL A 12 -7.747 -10.132 -8.749 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.345 -11.279 -7.938 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.496 -10.556 -10.172 1.00 0.00 C ATOM 0 H VAL A 12 -7.052 -7.592 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.478 -9.094 -9.463 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.803 -9.865 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.665 -12.131 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.495 -10.957 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.303 -11.570 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.841 -11.427 -10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.443 -10.809 -10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.022 -9.739 -10.717 1.00 0.00 H new ATOM 176 N SER A 13 -10.386 -9.269 -7.138 1.00 0.00 N ATOM 177 CA SER A 13 -11.022 -9.125 -5.846 1.00 0.00 C ATOM 178 C SER A 13 -10.478 -10.130 -4.850 1.00 0.00 C ATOM 179 O SER A 13 -10.128 -11.256 -5.203 1.00 0.00 O ATOM 180 CB SER A 13 -12.527 -9.260 -5.963 1.00 0.00 C ATOM 181 OG SER A 13 -12.896 -10.528 -6.475 1.00 0.00 O ATOM 0 H SER A 13 -10.900 -9.836 -7.812 1.00 0.00 H new ATOM 0 HA SER A 13 -10.793 -8.125 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.984 -9.115 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.914 -8.477 -6.615 1.00 0.00 H new ATOM 0 HG SER A 13 -13.872 -10.584 -6.537 1.00 0.00 H new ATOM 187 N GLY A 14 -10.402 -9.703 -3.601 1.00 0.00 N ATOM 188 CA GLY A 14 -9.890 -10.552 -2.553 1.00 0.00 C ATOM 189 C GLY A 14 -10.024 -9.910 -1.195 1.00 0.00 C ATOM 190 O GLY A 14 -10.538 -8.801 -1.072 1.00 0.00 O ATOM 0 H GLY A 14 -10.689 -8.774 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.425 -11.501 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.841 -10.776 -2.747 1.00 0.00 H new ATOM 194 N ILE A 15 -9.565 -10.607 -0.176 1.00 0.00 N ATOM 195 CA ILE A 15 -9.630 -10.098 1.179 1.00 0.00 C ATOM 196 C ILE A 15 -8.264 -9.650 1.638 1.00 0.00 C ATOM 197 O ILE A 15 -7.272 -10.353 1.450 1.00 0.00 O ATOM 198 CB ILE A 15 -10.158 -11.156 2.161 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.381 -11.851 1.556 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.474 -10.528 3.520 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.670 -11.070 1.676 1.00 0.00 C ATOM 0 H ILE A 15 -9.141 -11.531 -0.261 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.319 -9.254 1.170 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.387 -11.907 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.187 -12.047 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.511 -12.818 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.846 -11.296 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.569 -10.085 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.233 -9.755 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.483 -11.637 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.893 -10.896 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.565 -10.113 1.165 1.00 0.00 H new ATOM 213 N ILE A 16 -8.216 -8.492 2.263 1.00 0.00 N ATOM 214 CA ILE A 16 -6.971 -7.975 2.773 1.00 0.00 C ATOM 215 C ILE A 16 -6.995 -8.120 4.281 1.00 0.00 C ATOM 216 O ILE A 16 -7.865 -7.570 4.951 1.00 0.00 O ATOM 217 CB ILE A 16 -6.767 -6.493 2.359 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.673 -6.374 1.297 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.433 -5.612 3.551 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.385 -4.946 0.886 1.00 0.00 C ATOM 0 H ILE A 16 -9.026 -7.894 2.428 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.135 -8.534 2.354 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.711 -6.144 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.757 -6.826 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.968 -6.945 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.298 -4.583 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.247 -5.655 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.514 -5.965 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.599 -4.936 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.289 -4.496 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.059 -4.376 1.756 1.00 0.00 H new ATOM 232 N ALA A 17 -6.067 -8.900 4.807 1.00 0.00 N ATOM 233 CA ALA A 17 -6.021 -9.147 6.236 1.00 0.00 C ATOM 234 C ALA A 17 -4.688 -8.736 6.838 1.00 0.00 C ATOM 235 O ALA A 17 -3.622 -9.117 6.354 1.00 0.00 O ATOM 236 CB ALA A 17 -6.328 -10.611 6.512 1.00 0.00 C ATOM 0 H ALA A 17 -5.339 -9.371 4.269 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.781 -8.531 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.293 -10.794 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.322 -10.852 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.589 -11.238 6.013 1.00 0.00 H new ATOM 242 N ILE A 18 -4.766 -7.942 7.899 1.00 0.00 N ATOM 243 CA ILE A 18 -3.585 -7.449 8.587 1.00 0.00 C ATOM 244 C ILE A 18 -3.334 -8.241 9.868 1.00 0.00 C ATOM 245 O ILE A 18 -4.270 -8.586 10.589 1.00 0.00 O ATOM 246 CB ILE A 18 -3.750 -5.948 8.919 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.654 -5.114 7.640 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.723 -5.484 9.943 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.888 -3.638 7.861 1.00 0.00 C ATOM 0 H ILE A 18 -5.647 -7.624 8.303 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.727 -7.577 7.928 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.736 -5.807 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.668 -5.255 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.382 -5.485 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.870 -4.424 10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.844 -6.055 10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.719 -5.640 9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.804 -3.110 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.885 -3.486 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.144 -3.252 8.557 1.00 0.00 H new ATOM 261 N ASN A 19 -2.067 -8.532 10.146 1.00 0.00 N ATOM 262 CA ASN A 19 -1.706 -9.285 11.342 1.00 0.00 C ATOM 263 C ASN A 19 -0.574 -8.601 12.103 1.00 0.00 C ATOM 264 O ASN A 19 0.563 -8.548 11.635 1.00 0.00 O ATOM 265 CB ASN A 19 -1.309 -10.719 10.975 1.00 0.00 C ATOM 266 CG ASN A 19 -0.076 -10.782 10.094 1.00 0.00 C ATOM 267 OD1 ASN A 19 0.371 -9.773 9.554 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.480 -11.980 9.944 1.00 0.00 N ATOM 0 H ASN A 19 -1.276 -8.259 9.562 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.580 -9.318 11.992 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.126 -11.285 11.888 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.141 -11.201 10.462 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.311 -12.087 9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.076 -12.792 10.411 1.00 0.00 H new ATOM 275 N GLU A 20 -0.895 -8.079 13.283 1.00 0.00 N ATOM 276 CA GLU A 20 0.095 -7.400 14.111 1.00 0.00 C ATOM 277 C GLU A 20 0.749 -8.362 15.100 1.00 0.00 C ATOM 278 O GLU A 20 1.565 -7.956 15.926 1.00 0.00 O ATOM 279 CB GLU A 20 -0.551 -6.237 14.865 1.00 0.00 C ATOM 280 CG GLU A 20 -1.209 -5.213 13.955 1.00 0.00 C ATOM 281 CD GLU A 20 -0.265 -4.687 12.890 1.00 0.00 C ATOM 282 OE1 GLU A 20 0.863 -4.286 13.245 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.654 -4.677 11.704 1.00 0.00 O ATOM 0 H GLU A 20 -1.831 -8.113 13.686 1.00 0.00 H new ATOM 0 HA GLU A 20 0.871 -7.014 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.298 -6.632 15.554 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.208 -5.740 15.469 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.077 -5.664 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.574 -4.380 14.556 1.00 0.00 H new ATOM 290 N ASP A 21 0.396 -9.640 15.006 1.00 0.00 N ATOM 291 CA ASP A 21 0.962 -10.654 15.884 1.00 0.00 C ATOM 292 C ASP A 21 2.360 -11.040 15.418 1.00 0.00 C ATOM 293 O ASP A 21 3.138 -11.627 16.169 1.00 0.00 O ATOM 294 CB ASP A 21 0.064 -11.890 15.910 1.00 0.00 C ATOM 295 CG ASP A 21 0.487 -12.891 16.966 1.00 0.00 C ATOM 296 OD1 ASP A 21 0.082 -12.727 18.136 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.224 -13.840 16.624 1.00 0.00 O ATOM 0 H ASP A 21 -0.280 -9.997 14.330 1.00 0.00 H new ATOM 0 HA ASP A 21 1.028 -10.241 16.891 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.965 -11.584 16.096 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.082 -12.369 14.931 1.00 0.00 H new ATOM 302 N VAL A 22 2.668 -10.709 14.167 1.00 0.00 N ATOM 303 CA VAL A 22 3.962 -11.020 13.589 1.00 0.00 C ATOM 304 C VAL A 22 4.869 -9.794 13.587 1.00 0.00 C ATOM 305 O VAL A 22 4.397 -8.659 13.518 1.00 0.00 O ATOM 306 CB VAL A 22 3.823 -11.539 12.146 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.700 -13.055 12.130 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.638 -10.892 11.438 1.00 0.00 C ATOM 0 H VAL A 22 2.032 -10.223 13.535 1.00 0.00 H new ATOM 0 HA VAL A 22 4.406 -11.800 14.208 1.00 0.00 H new ATOM 0 HB VAL A 22 4.726 -11.262 11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.603 -13.401 11.101 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.589 -13.497 12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.819 -13.355 12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.566 -11.279 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.721 -11.122 11.980 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.779 -9.812 11.406 1.00 0.00 H new ATOM 318 N SER A 23 6.175 -10.031 13.658 1.00 0.00 N ATOM 319 CA SER A 23 7.147 -8.946 13.658 1.00 0.00 C ATOM 320 C SER A 23 8.154 -9.123 12.517 1.00 0.00 C ATOM 321 O SER A 23 8.892 -10.108 12.484 1.00 0.00 O ATOM 322 CB SER A 23 7.877 -8.888 15.002 1.00 0.00 C ATOM 323 OG SER A 23 9.153 -8.284 14.870 1.00 0.00 O ATOM 0 H SER A 23 6.583 -10.964 13.716 1.00 0.00 H new ATOM 0 HA SER A 23 6.614 -8.007 13.506 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.279 -8.326 15.719 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.989 -9.896 15.401 1.00 0.00 H new ATOM 0 HG SER A 23 9.595 -8.259 15.744 1.00 0.00 H new ATOM 329 N PRO A 24 8.200 -8.173 11.562 1.00 0.00 N ATOM 330 CA PRO A 24 7.345 -6.988 11.556 1.00 0.00 C ATOM 331 C PRO A 24 5.947 -7.294 11.032 1.00 0.00 C ATOM 332 O PRO A 24 5.779 -8.127 10.141 1.00 0.00 O ATOM 333 CB PRO A 24 8.067 -6.010 10.615 1.00 0.00 C ATOM 334 CG PRO A 24 9.272 -6.730 10.088 1.00 0.00 C ATOM 335 CD PRO A 24 9.096 -8.188 10.405 1.00 0.00 C ATOM 0 HA PRO A 24 7.200 -6.592 12.561 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.412 -5.703 9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.359 -5.105 11.147 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.370 -6.580 9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.182 -6.344 10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.662 -8.733 9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.047 -8.667 10.638 1.00 0.00 H new ATOM 343 N ALA A 25 4.944 -6.615 11.586 1.00 0.00 N ATOM 344 CA ALA A 25 3.559 -6.816 11.165 1.00 0.00 C ATOM 345 C ALA A 25 3.450 -6.801 9.644 1.00 0.00 C ATOM 346 O ALA A 25 4.191 -6.088 8.969 1.00 0.00 O ATOM 347 CB ALA A 25 2.660 -5.750 11.772 1.00 0.00 C ATOM 0 H ALA A 25 5.064 -5.923 12.325 1.00 0.00 H new ATOM 0 HA ALA A 25 3.231 -7.792 11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.632 -5.914 11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.712 -5.806 12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.991 -4.765 11.444 1.00 0.00 H new ATOM 353 N GLU A 26 2.537 -7.603 9.104 1.00 0.00 N ATOM 354 CA GLU A 26 2.365 -7.678 7.660 1.00 0.00 C ATOM 355 C GLU A 26 0.894 -7.701 7.261 1.00 0.00 C ATOM 356 O GLU A 26 0.009 -7.904 8.092 1.00 0.00 O ATOM 357 CB GLU A 26 3.064 -8.924 7.114 1.00 0.00 C ATOM 358 CG GLU A 26 4.519 -9.042 7.536 1.00 0.00 C ATOM 359 CD GLU A 26 5.235 -10.193 6.857 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.551 -11.039 6.242 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.480 -10.250 6.940 1.00 0.00 O ATOM 0 H GLU A 26 1.911 -8.204 9.640 1.00 0.00 H new ATOM 0 HA GLU A 26 2.814 -6.782 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.524 -9.809 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.010 -8.912 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.036 -8.111 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.570 -9.175 8.617 1.00 0.00 H new ATOM 368 N LEU A 27 0.650 -7.499 5.972 1.00 0.00 N ATOM 369 CA LEU A 27 -0.698 -7.507 5.425 1.00 0.00 C ATOM 370 C LEU A 27 -0.770 -8.500 4.272 1.00 0.00 C ATOM 371 O LEU A 27 0.020 -8.427 3.331 1.00 0.00 O ATOM 372 CB LEU A 27 -1.085 -6.104 4.949 1.00 0.00 C ATOM 373 CG LEU A 27 -2.400 -6.015 4.172 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.972 -4.610 4.251 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.191 -6.426 2.722 1.00 0.00 C ATOM 0 H LEU A 27 1.379 -7.326 5.280 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.401 -7.810 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.151 -5.449 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.283 -5.718 4.319 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.115 -6.702 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.907 -4.566 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.159 -4.351 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.261 -3.903 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.137 -6.357 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.460 -5.764 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.826 -7.452 2.684 1.00 0.00 H new ATOM 387 N THR A 28 -1.699 -9.444 4.357 1.00 0.00 N ATOM 388 CA THR A 28 -1.835 -10.461 3.321 1.00 0.00 C ATOM 389 C THR A 28 -3.181 -10.379 2.612 1.00 0.00 C ATOM 390 O THR A 28 -4.234 -10.335 3.248 1.00 0.00 O ATOM 391 CB THR A 28 -1.657 -11.853 3.928 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.433 -11.939 4.635 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.670 -12.960 2.897 1.00 0.00 C ATOM 0 H THR A 28 -2.364 -9.527 5.126 1.00 0.00 H new ATOM 0 HA THR A 28 -1.057 -10.277 2.580 1.00 0.00 H new ATOM 0 HB THR A 28 -2.508 -11.989 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.338 -12.836 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.539 -13.921 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.622 -12.952 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.858 -12.805 2.187 1.00 0.00 H new ATOM 401 N TRP A 29 -3.131 -10.377 1.283 1.00 0.00 N ATOM 402 CA TRP A 29 -4.323 -10.323 0.465 1.00 0.00 C ATOM 403 C TRP A 29 -4.669 -11.713 -0.055 1.00 0.00 C ATOM 404 O TRP A 29 -3.823 -12.403 -0.625 1.00 0.00 O ATOM 405 CB TRP A 29 -4.107 -9.380 -0.717 1.00 0.00 C ATOM 406 CG TRP A 29 -5.264 -9.369 -1.662 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.480 -8.816 -1.434 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.319 -9.954 -2.968 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.299 -9.005 -2.523 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.607 -9.703 -3.479 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.406 -10.659 -3.756 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.004 -10.134 -4.742 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.802 -11.086 -5.011 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.090 -10.822 -5.492 1.00 0.00 C ATOM 0 H TRP A 29 -2.262 -10.413 0.751 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.145 -9.953 1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.937 -8.370 -0.345 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.206 -9.677 -1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.765 -8.301 -0.528 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.262 -8.680 -2.606 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.410 -10.867 -3.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.997 -9.933 -5.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.106 -11.632 -5.630 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.368 -11.169 -6.476 1.00 0.00 H new ATOM 425 N ARG A 30 -5.916 -12.115 0.137 1.00 0.00 N ATOM 426 CA ARG A 30 -6.373 -13.421 -0.323 1.00 0.00 C ATOM 427 C ARG A 30 -7.634 -13.279 -1.163 1.00 0.00 C ATOM 428 O ARG A 30 -8.667 -12.834 -0.671 1.00 0.00 O ATOM 429 CB ARG A 30 -6.634 -14.345 0.867 1.00 0.00 C ATOM 430 CG ARG A 30 -7.015 -15.760 0.466 1.00 0.00 C ATOM 431 CD ARG A 30 -6.661 -16.762 1.552 1.00 0.00 C ATOM 432 NE ARG A 30 -7.186 -18.093 1.261 1.00 0.00 N ATOM 433 CZ ARG A 30 -8.452 -18.452 1.462 1.00 0.00 C ATOM 434 NH1 ARG A 30 -9.325 -17.582 1.954 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.846 -19.683 1.167 1.00 0.00 N ATOM 0 H ARG A 30 -6.630 -11.558 0.607 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.590 -13.860 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.741 -14.381 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.432 -13.922 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.085 -15.806 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.503 -16.028 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.577 -16.815 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.057 -16.417 2.507 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.545 -18.789 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.027 -16.633 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.294 -17.862 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.179 -20.354 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.816 -19.959 1.321 1.00 0.00 H new ATOM 449 N SER A 31 -7.548 -13.659 -2.437 1.00 0.00 N ATOM 450 CA SER A 31 -8.690 -13.563 -3.346 1.00 0.00 C ATOM 451 C SER A 31 -9.965 -14.073 -2.677 1.00 0.00 C ATOM 452 O SER A 31 -9.907 -14.871 -1.741 1.00 0.00 O ATOM 453 CB SER A 31 -8.415 -14.362 -4.621 1.00 0.00 C ATOM 454 OG SER A 31 -7.159 -14.017 -5.177 1.00 0.00 O ATOM 0 H SER A 31 -6.701 -14.036 -2.863 1.00 0.00 H new ATOM 0 HA SER A 31 -8.833 -12.513 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.437 -15.429 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.203 -14.173 -5.350 1.00 0.00 H new ATOM 0 HG SER A 31 -7.056 -13.042 -5.173 1.00 0.00 H new ATOM 460 N THR A 32 -11.112 -13.608 -3.160 1.00 0.00 N ATOM 461 CA THR A 32 -12.393 -14.017 -2.610 1.00 0.00 C ATOM 462 C THR A 32 -12.599 -15.492 -2.870 1.00 0.00 C ATOM 463 O THR A 32 -13.109 -16.231 -2.028 1.00 0.00 O ATOM 464 CB THR A 32 -13.524 -13.208 -3.244 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.008 -12.176 -4.067 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.439 -12.565 -2.228 1.00 0.00 C ATOM 0 H THR A 32 -11.178 -12.946 -3.933 1.00 0.00 H new ATOM 0 HA THR A 32 -12.399 -13.834 -1.536 1.00 0.00 H new ATOM 0 HB THR A 32 -14.098 -13.927 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.505 -12.152 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.220 -12.006 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.895 -13.337 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.863 -11.887 -1.598 1.00 0.00 H new ATOM 474 N ASP A 33 -12.188 -15.906 -4.056 1.00 0.00 N ATOM 475 CA ASP A 33 -12.308 -17.287 -4.466 1.00 0.00 C ATOM 476 C ASP A 33 -11.122 -18.112 -3.974 1.00 0.00 C ATOM 477 O ASP A 33 -11.215 -19.332 -3.833 1.00 0.00 O ATOM 478 CB ASP A 33 -12.420 -17.386 -5.989 1.00 0.00 C ATOM 479 CG ASP A 33 -12.692 -18.803 -6.457 1.00 0.00 C ATOM 480 OD1 ASP A 33 -13.871 -19.218 -6.444 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.726 -19.498 -6.837 1.00 0.00 O ATOM 0 H ASP A 33 -11.765 -15.296 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.216 -17.691 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.220 -16.732 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.496 -17.027 -6.443 1.00 0.00 H new ATOM 486 N GLY A 34 -10.008 -17.436 -3.710 1.00 0.00 N ATOM 487 CA GLY A 34 -8.818 -18.118 -3.234 1.00 0.00 C ATOM 488 C GLY A 34 -7.917 -18.578 -4.366 1.00 0.00 C ATOM 489 O GLY A 34 -7.245 -19.603 -4.255 1.00 0.00 O ATOM 0 H GLY A 34 -9.908 -16.427 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.259 -17.451 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.113 -18.980 -2.636 1.00 0.00 H new ATOM 493 N ASP A 35 -7.905 -17.819 -5.458 1.00 0.00 N ATOM 494 CA ASP A 35 -7.082 -18.158 -6.613 1.00 0.00 C ATOM 495 C ASP A 35 -5.737 -17.435 -6.573 1.00 0.00 C ATOM 496 O ASP A 35 -4.773 -17.869 -7.205 1.00 0.00 O ATOM 497 CB ASP A 35 -7.819 -17.811 -7.908 1.00 0.00 C ATOM 498 CG ASP A 35 -9.062 -18.656 -8.109 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.174 -19.714 -7.455 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.924 -18.260 -8.923 1.00 0.00 O ATOM 0 H ASP A 35 -8.455 -16.967 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.891 -19.231 -6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.098 -16.757 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.147 -17.951 -8.754 1.00 0.00 H new ATOM 505 N LYS A 36 -5.677 -16.335 -5.832 1.00 0.00 N ATOM 506 CA LYS A 36 -4.445 -15.559 -5.721 1.00 0.00 C ATOM 507 C LYS A 36 -4.201 -15.115 -4.281 1.00 0.00 C ATOM 508 O LYS A 36 -5.142 -14.847 -3.534 1.00 0.00 O ATOM 509 CB LYS A 36 -4.502 -14.337 -6.639 1.00 0.00 C ATOM 510 CG LYS A 36 -3.791 -14.544 -7.967 1.00 0.00 C ATOM 511 CD LYS A 36 -4.774 -14.582 -9.128 1.00 0.00 C ATOM 512 CE LYS A 36 -4.639 -13.355 -10.015 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.712 -13.293 -11.044 1.00 0.00 N ATOM 0 H LYS A 36 -6.463 -15.960 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.618 -16.199 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.545 -14.084 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.056 -13.485 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.072 -13.740 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.226 -15.476 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.604 -15.481 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.792 -14.643 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.674 -12.456 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.666 -13.367 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.677 -12.373 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.571 -14.054 -11.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.639 -13.409 -10.587 1.00 0.00 H new ATOM 527 N VAL A 37 -2.928 -15.033 -3.901 1.00 0.00 N ATOM 528 CA VAL A 37 -2.555 -14.614 -2.555 1.00 0.00 C ATOM 529 C VAL A 37 -1.346 -13.682 -2.584 1.00 0.00 C ATOM 530 O VAL A 37 -0.394 -13.908 -3.331 1.00 0.00 O ATOM 531 CB VAL A 37 -2.242 -15.826 -1.654 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.026 -16.583 -2.170 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.035 -15.383 -0.214 1.00 0.00 C ATOM 0 H VAL A 37 -2.138 -15.252 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.410 -14.079 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.096 -16.503 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.824 -17.434 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.221 -16.939 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.161 -15.920 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.815 -16.252 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.201 -14.682 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.940 -14.897 0.151 1.00 0.00 H new ATOM 543 N HIS A 38 -1.392 -12.630 -1.771 1.00 0.00 N ATOM 544 CA HIS A 38 -0.300 -11.661 -1.709 1.00 0.00 C ATOM 545 C HIS A 38 0.023 -11.287 -0.267 1.00 0.00 C ATOM 546 O HIS A 38 -0.861 -11.227 0.584 1.00 0.00 O ATOM 547 CB HIS A 38 -0.652 -10.402 -2.498 1.00 0.00 C ATOM 548 CG HIS A 38 0.541 -9.589 -2.894 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.853 -8.294 -2.645 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.588 -10.096 -3.635 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.068 -8.048 -3.236 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.491 -9.150 -3.825 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.172 -12.426 -1.147 1.00 0.00 H new ATOM 0 HA HIS A 38 0.579 -12.128 -2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.201 -10.687 -3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.320 -9.783 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.659 -11.109 -4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.593 -7.104 -3.221 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.366 -9.254 -4.339 1.00 0.00 H new ATOM 561 N THR A 39 1.299 -11.037 -0.003 1.00 0.00 N ATOM 562 CA THR A 39 1.747 -10.665 1.336 1.00 0.00 C ATOM 563 C THR A 39 2.604 -9.402 1.295 1.00 0.00 C ATOM 564 O THR A 39 3.462 -9.251 0.424 1.00 0.00 O ATOM 565 CB THR A 39 2.537 -11.811 1.966 1.00 0.00 C ATOM 566 OG1 THR A 39 1.783 -13.011 1.950 1.00 0.00 O ATOM 567 CG2 THR A 39 2.941 -11.542 3.400 1.00 0.00 C ATOM 0 H THR A 39 2.044 -11.085 -0.698 1.00 0.00 H new ATOM 0 HA THR A 39 0.865 -10.462 1.944 1.00 0.00 H new ATOM 0 HB THR A 39 3.439 -11.905 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.307 -13.732 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.498 -12.395 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.567 -10.651 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.049 -11.386 4.006 1.00 0.00 H new ATOM 575 N VAL A 40 2.372 -8.498 2.244 1.00 0.00 N ATOM 576 CA VAL A 40 3.132 -7.253 2.312 1.00 0.00 C ATOM 577 C VAL A 40 3.597 -6.953 3.729 1.00 0.00 C ATOM 578 O VAL A 40 2.860 -7.142 4.694 1.00 0.00 O ATOM 579 CB VAL A 40 2.316 -6.039 1.822 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.133 -4.756 1.964 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.857 -6.236 0.385 1.00 0.00 C ATOM 0 H VAL A 40 1.667 -8.604 2.973 1.00 0.00 H new ATOM 0 HA VAL A 40 3.990 -7.405 1.657 1.00 0.00 H new ATOM 0 HB VAL A 40 1.426 -5.950 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.543 -3.909 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.397 -4.607 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.042 -4.836 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.284 -5.366 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.726 -6.357 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.231 -7.126 0.322 1.00 0.00 H new ATOM 591 N VAL A 41 4.815 -6.445 3.835 1.00 0.00 N ATOM 592 CA VAL A 41 5.377 -6.069 5.122 1.00 0.00 C ATOM 593 C VAL A 41 4.984 -4.626 5.433 1.00 0.00 C ATOM 594 O VAL A 41 5.330 -3.706 4.693 1.00 0.00 O ATOM 595 CB VAL A 41 6.915 -6.213 5.120 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.497 -5.634 3.841 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.538 -5.573 6.357 1.00 0.00 C ATOM 0 H VAL A 41 5.435 -6.283 3.041 1.00 0.00 H new ATOM 0 HA VAL A 41 4.982 -6.735 5.889 1.00 0.00 H new ATOM 0 HB VAL A 41 7.158 -7.275 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.582 -5.742 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.089 -6.166 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.239 -4.577 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.621 -5.693 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.291 -4.512 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.148 -6.057 7.253 1.00 0.00 H new ATOM 607 N LEU A 42 4.236 -4.438 6.513 1.00 0.00 N ATOM 608 CA LEU A 42 3.771 -3.111 6.899 1.00 0.00 C ATOM 609 C LEU A 42 4.887 -2.270 7.516 1.00 0.00 C ATOM 610 O LEU A 42 4.874 -1.043 7.421 1.00 0.00 O ATOM 611 CB LEU A 42 2.605 -3.231 7.881 1.00 0.00 C ATOM 612 CG LEU A 42 1.441 -4.098 7.397 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.398 -4.254 8.494 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.818 -3.501 6.145 1.00 0.00 C ATOM 0 H LEU A 42 3.938 -5.187 7.137 1.00 0.00 H new ATOM 0 HA LEU A 42 3.438 -2.603 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.980 -3.642 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.228 -2.232 8.099 1.00 0.00 H new ATOM 0 HG LEU A 42 1.827 -5.087 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.422 -4.874 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.853 -4.727 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.015 -3.273 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.008 -4.130 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.446 -2.500 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.569 -3.444 5.357 1.00 0.00 H new ATOM 626 N SER A 43 5.839 -2.932 8.162 1.00 0.00 N ATOM 627 CA SER A 43 6.949 -2.240 8.811 1.00 0.00 C ATOM 628 C SER A 43 7.711 -1.340 7.838 1.00 0.00 C ATOM 629 O SER A 43 8.391 -0.404 8.254 1.00 0.00 O ATOM 630 CB SER A 43 7.905 -3.250 9.445 1.00 0.00 C ATOM 631 OG SER A 43 9.160 -2.657 9.734 1.00 0.00 O ATOM 0 H SER A 43 5.866 -3.948 8.251 1.00 0.00 H new ATOM 0 HA SER A 43 6.525 -1.603 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.466 -3.644 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.046 -4.095 8.770 1.00 0.00 H new ATOM 0 HG SER A 43 9.751 -3.325 10.140 1.00 0.00 H new ATOM 637 N THR A 44 7.600 -1.630 6.550 1.00 0.00 N ATOM 638 CA THR A 44 8.290 -0.840 5.532 1.00 0.00 C ATOM 639 C THR A 44 7.380 0.245 4.968 1.00 0.00 C ATOM 640 O THR A 44 7.855 1.234 4.411 1.00 0.00 O ATOM 641 CB THR A 44 8.802 -1.735 4.397 1.00 0.00 C ATOM 642 OG1 THR A 44 7.955 -1.657 3.262 1.00 0.00 O ATOM 643 CG2 THR A 44 8.906 -3.193 4.781 1.00 0.00 C ATOM 0 H THR A 44 7.043 -2.401 6.183 1.00 0.00 H new ATOM 0 HA THR A 44 9.143 -0.361 6.012 1.00 0.00 H new ATOM 0 HB THR A 44 9.800 -1.358 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.305 -2.235 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.274 -3.768 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.596 -3.300 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.923 -3.564 5.071 1.00 0.00 H new ATOM 651 N ILE A 45 6.075 0.052 5.107 1.00 0.00 N ATOM 652 CA ILE A 45 5.108 1.018 4.605 1.00 0.00 C ATOM 653 C ILE A 45 5.339 2.394 5.226 1.00 0.00 C ATOM 654 O ILE A 45 4.762 2.727 6.260 1.00 0.00 O ATOM 655 CB ILE A 45 3.660 0.564 4.885 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.413 -0.810 4.262 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.665 1.583 4.346 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.477 -0.809 2.750 1.00 0.00 C ATOM 0 H ILE A 45 5.663 -0.763 5.562 1.00 0.00 H new ATOM 0 HA ILE A 45 5.250 1.083 3.526 1.00 0.00 H new ATOM 0 HB ILE A 45 3.519 0.490 5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.151 -1.513 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.434 -1.171 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.650 1.245 4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.833 2.546 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.800 1.689 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.292 -1.817 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.720 -0.131 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.464 -0.478 2.428 1.00 0.00 H new ATOM 670 N ASP A 46 6.197 3.182 4.587 1.00 0.00 N ATOM 671 CA ASP A 46 6.521 4.518 5.072 1.00 0.00 C ATOM 672 C ASP A 46 5.341 5.470 4.909 1.00 0.00 C ATOM 673 O ASP A 46 5.196 6.424 5.672 1.00 0.00 O ATOM 674 CB ASP A 46 7.736 5.071 4.324 1.00 0.00 C ATOM 675 CG ASP A 46 8.625 5.918 5.212 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.663 5.659 6.434 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.284 6.841 4.687 1.00 0.00 O ATOM 0 H ASP A 46 6.682 2.917 3.729 1.00 0.00 H new ATOM 0 HA ASP A 46 6.752 4.439 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.317 4.243 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.397 5.669 3.478 1.00 0.00 H new ATOM 682 N LYS A 47 4.508 5.217 3.905 1.00 0.00 N ATOM 683 CA LYS A 47 3.356 6.069 3.646 1.00 0.00 C ATOM 684 C LYS A 47 2.126 5.251 3.280 1.00 0.00 C ATOM 685 O LYS A 47 2.220 4.247 2.573 1.00 0.00 O ATOM 686 CB LYS A 47 3.678 7.048 2.518 1.00 0.00 C ATOM 687 CG LYS A 47 4.508 8.235 2.960 1.00 0.00 C ATOM 688 CD LYS A 47 4.316 9.427 2.036 1.00 0.00 C ATOM 689 CE LYS A 47 5.582 10.262 1.935 1.00 0.00 C ATOM 690 NZ LYS A 47 6.176 10.537 3.272 1.00 0.00 N ATOM 0 H LYS A 47 4.609 4.433 3.261 1.00 0.00 H new ATOM 0 HA LYS A 47 3.135 6.619 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.211 6.517 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.745 7.409 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.232 8.514 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.561 7.956 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.029 9.078 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.498 10.047 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.311 9.741 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.356 11.205 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.824 11.348 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.418 10.755 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.701 9.700 3.597 1.00 0.00 H new ATOM 704 N LEU A 48 0.970 5.699 3.754 1.00 0.00 N ATOM 705 CA LEU A 48 -0.285 5.031 3.470 1.00 0.00 C ATOM 706 C LEU A 48 -1.265 6.024 2.848 1.00 0.00 C ATOM 707 O LEU A 48 -1.535 7.084 3.415 1.00 0.00 O ATOM 708 CB LEU A 48 -0.842 4.397 4.753 1.00 0.00 C ATOM 709 CG LEU A 48 -2.263 4.801 5.125 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.275 4.005 4.315 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.501 4.617 6.616 1.00 0.00 C ATOM 0 H LEU A 48 0.880 6.529 4.341 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.125 4.227 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.808 3.313 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.182 4.656 5.581 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.392 5.857 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.284 4.308 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.121 4.195 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.146 2.941 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.522 4.911 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.351 3.571 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.801 5.237 7.175 1.00 0.00 H new ATOM 723 N GLN A 49 -1.778 5.685 1.672 1.00 0.00 N ATOM 724 CA GLN A 49 -2.711 6.554 0.967 1.00 0.00 C ATOM 725 C GLN A 49 -4.071 5.886 0.813 1.00 0.00 C ATOM 726 O GLN A 49 -4.159 4.691 0.531 1.00 0.00 O ATOM 727 CB GLN A 49 -2.153 6.929 -0.406 1.00 0.00 C ATOM 728 CG GLN A 49 -0.988 7.903 -0.346 1.00 0.00 C ATOM 729 CD GLN A 49 -0.467 8.275 -1.720 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.318 7.539 -2.318 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.901 9.423 -2.228 1.00 0.00 N ATOM 0 H GLN A 49 -1.563 4.814 1.186 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.840 7.460 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.831 6.022 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.951 7.367 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.302 8.807 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.180 7.462 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.552 10.002 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.584 9.726 -3.149 1.00 0.00 H new ATOM 740 N ALA A 50 -5.128 6.667 0.998 1.00 0.00 N ATOM 741 CA ALA A 50 -6.486 6.157 0.881 1.00 0.00 C ATOM 742 C ALA A 50 -7.407 7.197 0.255 1.00 0.00 C ATOM 743 O ALA A 50 -7.263 8.395 0.499 1.00 0.00 O ATOM 744 CB ALA A 50 -7.010 5.741 2.247 1.00 0.00 C ATOM 0 H ALA A 50 -5.069 7.658 1.230 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.468 5.284 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.027 5.361 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.370 4.961 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.009 6.602 2.915 1.00 0.00 H new ATOM 750 N THR A 51 -8.355 6.733 -0.550 1.00 0.00 N ATOM 751 CA THR A 51 -9.300 7.626 -1.207 1.00 0.00 C ATOM 752 C THR A 51 -10.354 8.118 -0.213 1.00 0.00 C ATOM 753 O THR A 51 -11.161 7.333 0.282 1.00 0.00 O ATOM 754 CB THR A 51 -9.977 6.913 -2.380 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.518 5.670 -1.967 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.039 6.642 -3.538 1.00 0.00 C ATOM 0 H THR A 51 -8.489 5.745 -0.763 1.00 0.00 H new ATOM 0 HA THR A 51 -8.751 8.488 -1.587 1.00 0.00 H new ATOM 0 HB THR A 51 -10.760 7.592 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.475 5.774 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.582 6.135 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.642 7.585 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.217 6.011 -3.200 1.00 0.00 H new ATOM 764 N PRO A 52 -10.357 9.429 0.100 1.00 0.00 N ATOM 765 CA PRO A 52 -11.316 10.013 1.046 1.00 0.00 C ATOM 766 C PRO A 52 -12.758 9.905 0.562 1.00 0.00 C ATOM 767 O PRO A 52 -13.011 9.712 -0.627 1.00 0.00 O ATOM 768 CB PRO A 52 -10.891 11.483 1.138 1.00 0.00 C ATOM 769 CG PRO A 52 -10.111 11.738 -0.105 1.00 0.00 C ATOM 770 CD PRO A 52 -9.430 10.441 -0.435 1.00 0.00 C ATOM 0 HA PRO A 52 -11.300 9.492 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.758 12.141 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.287 11.664 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.764 12.055 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.382 12.534 0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.283 10.325 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.447 10.373 0.030 1.00 0.00 H new ATOM 778 N ALA A 53 -13.698 10.031 1.495 1.00 0.00 N ATOM 779 CA ALA A 53 -15.117 9.949 1.170 1.00 0.00 C ATOM 780 C ALA A 53 -15.498 10.965 0.100 1.00 0.00 C ATOM 781 O ALA A 53 -16.237 10.653 -0.833 1.00 0.00 O ATOM 782 CB ALA A 53 -15.959 10.157 2.420 1.00 0.00 C ATOM 0 H ALA A 53 -13.501 10.190 2.483 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.314 8.953 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.016 10.093 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.718 9.388 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.747 11.140 2.842 1.00 0.00 H new ATOM 788 N SER A 54 -14.982 12.183 0.237 1.00 0.00 N ATOM 789 CA SER A 54 -15.265 13.244 -0.724 1.00 0.00 C ATOM 790 C SER A 54 -14.835 12.830 -2.127 1.00 0.00 C ATOM 791 O SER A 54 -15.395 13.287 -3.123 1.00 0.00 O ATOM 792 CB SER A 54 -14.556 14.537 -0.319 1.00 0.00 C ATOM 793 OG SER A 54 -14.875 14.897 1.015 1.00 0.00 O ATOM 0 H SER A 54 -14.367 12.459 1.002 1.00 0.00 H new ATOM 0 HA SER A 54 -16.341 13.419 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.478 14.410 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.845 15.341 -0.995 1.00 0.00 H new ATOM 0 HG SER A 54 -14.408 15.726 1.251 1.00 0.00 H new ATOM 799 N SER A 55 -13.838 11.958 -2.190 1.00 0.00 N ATOM 800 CA SER A 55 -13.325 11.469 -3.456 1.00 0.00 C ATOM 801 C SER A 55 -14.145 10.289 -3.954 1.00 0.00 C ATOM 802 O SER A 55 -14.202 9.242 -3.307 1.00 0.00 O ATOM 803 CB SER A 55 -11.858 11.060 -3.311 1.00 0.00 C ATOM 804 OG SER A 55 -11.297 10.716 -4.566 1.00 0.00 O ATOM 0 H SER A 55 -13.367 11.574 -1.371 1.00 0.00 H new ATOM 0 HA SER A 55 -13.400 12.275 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.291 11.879 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.779 10.213 -2.630 1.00 0.00 H new ATOM 0 HG SER A 55 -11.443 11.448 -5.201 1.00 0.00 H new ATOM 810 N GLU A 56 -14.768 10.459 -5.114 1.00 0.00 N ATOM 811 CA GLU A 56 -15.573 9.400 -5.707 1.00 0.00 C ATOM 812 C GLU A 56 -14.745 8.132 -5.883 1.00 0.00 C ATOM 813 O GLU A 56 -15.287 7.038 -6.038 1.00 0.00 O ATOM 814 CB GLU A 56 -16.129 9.849 -7.058 1.00 0.00 C ATOM 815 CG GLU A 56 -17.112 8.865 -7.672 1.00 0.00 C ATOM 816 CD GLU A 56 -17.572 9.280 -9.056 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.101 10.326 -9.551 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.403 8.558 -9.647 1.00 0.00 O ATOM 0 H GLU A 56 -14.731 11.319 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.404 9.185 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.622 10.813 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.300 10.001 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.646 7.881 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.980 8.770 -7.019 1.00 0.00 H new ATOM 825 N LYS A 57 -13.423 8.288 -5.857 1.00 0.00 N ATOM 826 CA LYS A 57 -12.515 7.156 -6.011 1.00 0.00 C ATOM 827 C LYS A 57 -12.645 6.191 -4.836 1.00 0.00 C ATOM 828 O LYS A 57 -13.121 6.561 -3.764 1.00 0.00 O ATOM 829 CB LYS A 57 -11.070 7.646 -6.128 1.00 0.00 C ATOM 830 CG LYS A 57 -10.895 8.807 -7.096 1.00 0.00 C ATOM 831 CD LYS A 57 -11.479 8.488 -8.464 1.00 0.00 C ATOM 832 CE LYS A 57 -11.059 9.517 -9.502 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.742 10.823 -9.297 1.00 0.00 N ATOM 0 H LYS A 57 -12.958 9.187 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.786 6.626 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.718 7.950 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.440 6.817 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.380 9.695 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.835 9.040 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.151 7.497 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.567 8.458 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.980 9.661 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.287 9.141 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.494 11.470 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.772 10.678 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.438 11.235 -8.392 1.00 0.00 H new ATOM 847 N MET A 58 -12.220 4.951 -5.050 1.00 0.00 N ATOM 848 CA MET A 58 -12.288 3.925 -4.014 1.00 0.00 C ATOM 849 C MET A 58 -11.067 3.012 -4.074 1.00 0.00 C ATOM 850 O MET A 58 -11.131 1.912 -4.620 1.00 0.00 O ATOM 851 CB MET A 58 -13.561 3.096 -4.179 1.00 0.00 C ATOM 852 CG MET A 58 -14.826 3.934 -4.261 1.00 0.00 C ATOM 853 SD MET A 58 -16.315 2.973 -3.938 1.00 0.00 S ATOM 854 CE MET A 58 -15.896 2.232 -2.362 1.00 0.00 C ATOM 0 H MET A 58 -11.824 4.631 -5.934 1.00 0.00 H new ATOM 0 HA MET A 58 -12.304 4.421 -3.043 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.476 2.491 -5.082 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.646 2.405 -3.340 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.763 4.752 -3.543 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.896 4.384 -5.251 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.790 1.797 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.150 1.452 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.493 2.995 -1.697 1.00 0.00 H new ATOM 864 N MET A 59 -9.950 3.476 -3.518 1.00 0.00 N ATOM 865 CA MET A 59 -8.719 2.691 -3.523 1.00 0.00 C ATOM 866 C MET A 59 -7.800 3.078 -2.367 1.00 0.00 C ATOM 867 O MET A 59 -8.016 4.084 -1.691 1.00 0.00 O ATOM 868 CB MET A 59 -7.979 2.881 -4.848 1.00 0.00 C ATOM 869 CG MET A 59 -8.825 2.576 -6.073 1.00 0.00 C ATOM 870 SD MET A 59 -7.905 2.769 -7.611 1.00 0.00 S ATOM 871 CE MET A 59 -7.116 4.351 -7.331 1.00 0.00 C ATOM 0 H MET A 59 -9.872 4.385 -3.062 1.00 0.00 H new ATOM 0 HA MET A 59 -8.997 1.644 -3.402 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.624 3.910 -4.911 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.099 2.238 -4.857 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.203 1.556 -6.005 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.692 3.237 -6.086 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.923 4.836 -8.288 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.770 4.983 -6.730 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.174 4.200 -6.804 1.00 0.00 H new ATOM 881 N LEU A 60 -6.767 2.267 -2.160 1.00 0.00 N ATOM 882 CA LEU A 60 -5.791 2.504 -1.102 1.00 0.00 C ATOM 883 C LEU A 60 -4.387 2.165 -1.602 1.00 0.00 C ATOM 884 O LEU A 60 -4.139 1.052 -2.067 1.00 0.00 O ATOM 885 CB LEU A 60 -6.130 1.660 0.131 1.00 0.00 C ATOM 886 CG LEU A 60 -6.235 2.443 1.442 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.693 2.649 1.827 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.487 1.722 2.556 1.00 0.00 C ATOM 0 H LEU A 60 -6.584 1.432 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.823 3.557 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.076 1.149 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.368 0.889 0.246 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.777 3.421 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.747 3.207 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.202 3.207 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.176 1.680 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.572 2.293 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.917 0.731 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.436 1.625 2.285 1.00 0.00 H new ATOM 900 N ARG A 61 -3.475 3.129 -1.520 1.00 0.00 N ATOM 901 CA ARG A 61 -2.104 2.920 -1.984 1.00 0.00 C ATOM 902 C ARG A 61 -1.104 2.947 -0.829 1.00 0.00 C ATOM 903 O ARG A 61 -1.187 3.795 0.057 1.00 0.00 O ATOM 904 CB ARG A 61 -1.731 3.982 -3.019 1.00 0.00 C ATOM 905 CG ARG A 61 -0.532 3.605 -3.874 1.00 0.00 C ATOM 906 CD ARG A 61 -0.233 4.671 -4.915 1.00 0.00 C ATOM 907 NE ARG A 61 0.790 4.236 -5.866 1.00 0.00 N ATOM 908 CZ ARG A 61 0.976 4.791 -7.059 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.216 5.806 -7.454 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.927 4.332 -7.863 1.00 0.00 N ATOM 0 H ARG A 61 -3.657 4.058 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.059 1.932 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.588 4.161 -3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.520 4.920 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.341 3.463 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.723 2.653 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.148 4.918 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.099 5.582 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 61 1.396 3.461 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.516 6.164 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.364 6.227 -8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.515 3.553 -7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.070 4.758 -8.779 1.00 0.00 H new ATOM 924 N LEU A 62 -0.156 2.013 -0.855 1.00 0.00 N ATOM 925 CA LEU A 62 0.871 1.921 0.181 1.00 0.00 C ATOM 926 C LEU A 62 2.245 2.261 -0.392 1.00 0.00 C ATOM 927 O LEU A 62 2.548 1.925 -1.536 1.00 0.00 O ATOM 928 CB LEU A 62 0.905 0.507 0.774 1.00 0.00 C ATOM 929 CG LEU A 62 -0.300 0.099 1.638 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.507 0.990 1.375 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.655 -1.359 1.389 1.00 0.00 C ATOM 0 H LEU A 62 -0.077 1.306 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 62 0.624 2.637 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.994 -0.205 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.807 0.412 1.379 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.018 0.225 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.338 0.671 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.253 2.024 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.795 0.913 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.510 -1.636 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.907 -1.498 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.197 -1.990 1.644 1.00 0.00 H new ATOM 943 N ILE A 63 3.077 2.921 0.412 1.00 0.00 N ATOM 944 CA ILE A 63 4.420 3.291 -0.026 1.00 0.00 C ATOM 945 C ILE A 63 5.481 2.562 0.789 1.00 0.00 C ATOM 946 O ILE A 63 5.501 2.648 2.016 1.00 0.00 O ATOM 947 CB ILE A 63 4.680 4.808 0.086 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.382 5.606 -0.074 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.706 5.236 -0.951 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.729 5.451 -1.420 1.00 0.00 C ATOM 0 H ILE A 63 2.846 3.208 1.363 1.00 0.00 H new ATOM 0 HA ILE A 63 4.483 3.001 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 63 5.074 5.017 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.678 5.294 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.594 6.662 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.884 6.308 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.639 4.699 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.331 5.009 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.817 6.047 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.413 5.791 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.483 4.402 -1.587 1.00 0.00 H new ATOM 962 N GLY A 64 6.364 1.848 0.101 1.00 0.00 N ATOM 963 CA GLY A 64 7.418 1.120 0.781 1.00 0.00 C ATOM 964 C GLY A 64 8.677 1.948 0.952 1.00 0.00 C ATOM 965 O GLY A 64 9.170 2.546 -0.005 1.00 0.00 O ATOM 0 H GLY A 64 6.369 1.760 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.061 0.800 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.654 0.217 0.217 1.00 0.00 H new ATOM 969 N LYS A 65 9.196 1.985 2.177 1.00 0.00 N ATOM 970 CA LYS A 65 10.406 2.746 2.482 1.00 0.00 C ATOM 971 C LYS A 65 11.492 2.504 1.435 1.00 0.00 C ATOM 972 O LYS A 65 11.535 1.447 0.806 1.00 0.00 O ATOM 973 CB LYS A 65 10.934 2.367 3.867 1.00 0.00 C ATOM 974 CG LYS A 65 10.269 3.130 5.001 1.00 0.00 C ATOM 975 CD LYS A 65 10.897 2.792 6.342 1.00 0.00 C ATOM 976 CE LYS A 65 10.144 3.447 7.488 1.00 0.00 C ATOM 977 NZ LYS A 65 10.178 2.618 8.724 1.00 0.00 N ATOM 0 H LYS A 65 8.796 1.495 2.977 1.00 0.00 H new ATOM 0 HA LYS A 65 10.146 3.804 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.786 1.298 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.008 2.548 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.353 4.201 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.205 2.893 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.904 1.711 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.936 3.121 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.579 4.425 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.108 3.615 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.653 3.101 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.740 1.694 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.165 2.479 9.022 1.00 0.00 H new ATOM 991 N VAL A 66 12.365 3.491 1.254 1.00 0.00 N ATOM 992 CA VAL A 66 13.447 3.382 0.283 1.00 0.00 C ATOM 993 C VAL A 66 14.807 3.563 0.960 1.00 0.00 C ATOM 994 O VAL A 66 14.923 3.461 2.180 1.00 0.00 O ATOM 995 CB VAL A 66 13.279 4.412 -0.862 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.905 5.756 -0.508 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.851 3.870 -2.166 1.00 0.00 C ATOM 0 H VAL A 66 12.344 4.373 1.766 1.00 0.00 H new ATOM 0 HA VAL A 66 13.402 2.382 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 66 12.211 4.578 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.766 6.451 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.426 6.156 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.970 5.623 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.722 4.610 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.912 3.658 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.329 2.953 -2.439 1.00 0.00 H new ATOM 1007 N ASP A 67 15.826 3.835 0.154 1.00 0.00 N ATOM 1008 CA ASP A 67 17.180 4.035 0.659 1.00 0.00 C ATOM 1009 C ASP A 67 18.140 4.323 -0.492 1.00 0.00 C ATOM 1010 O ASP A 67 19.180 3.679 -0.625 1.00 0.00 O ATOM 1011 CB ASP A 67 17.648 2.801 1.434 1.00 0.00 C ATOM 1012 CG ASP A 67 18.625 3.148 2.541 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.171 4.271 2.522 1.00 0.00 O ATOM 1014 OD2 ASP A 67 18.844 2.296 3.429 1.00 0.00 O ATOM 0 H ASP A 67 15.740 3.923 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 67 17.172 4.892 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.783 2.295 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.118 2.100 0.745 1.00 0.00 H new ATOM 1019 N GLU A 68 17.775 5.292 -1.325 1.00 0.00 N ATOM 1020 CA GLU A 68 18.595 5.664 -2.473 1.00 0.00 C ATOM 1021 C GLU A 68 20.001 6.072 -2.044 1.00 0.00 C ATOM 1022 O GLU A 68 20.941 6.021 -2.836 1.00 0.00 O ATOM 1023 CB GLU A 68 17.935 6.803 -3.251 1.00 0.00 C ATOM 1024 CG GLU A 68 16.579 6.438 -3.831 1.00 0.00 C ATOM 1025 CD GLU A 68 15.981 7.553 -4.664 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.584 8.583 -4.081 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.909 7.395 -5.901 1.00 0.00 O ATOM 0 H GLU A 68 16.917 5.834 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 68 18.678 4.790 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.819 7.663 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.597 7.110 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.680 5.544 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.896 6.190 -3.019 1.00 0.00 H new ATOM 1034 N SER A 69 20.138 6.471 -0.787 1.00 0.00 N ATOM 1035 CA SER A 69 21.432 6.880 -0.254 1.00 0.00 C ATOM 1036 C SER A 69 22.420 5.715 -0.252 1.00 0.00 C ATOM 1037 O SER A 69 23.624 5.913 -0.088 1.00 0.00 O ATOM 1038 CB SER A 69 21.270 7.427 1.165 1.00 0.00 C ATOM 1039 OG SER A 69 20.377 8.527 1.190 1.00 0.00 O ATOM 0 H SER A 69 19.370 6.521 -0.117 1.00 0.00 H new ATOM 0 HA SER A 69 21.829 7.664 -0.899 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.900 6.639 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.241 7.735 1.552 1.00 0.00 H new ATOM 0 HG SER A 69 20.290 8.857 2.109 1.00 0.00 H new ATOM 1045 N LYS A 70 21.909 4.498 -0.433 1.00 0.00 N ATOM 1046 CA LYS A 70 22.754 3.310 -0.448 1.00 0.00 C ATOM 1047 C LYS A 70 23.623 3.264 -1.700 1.00 0.00 C ATOM 1048 O LYS A 70 24.819 2.983 -1.628 1.00 0.00 O ATOM 1049 CB LYS A 70 21.897 2.046 -0.363 1.00 0.00 C ATOM 1050 CG LYS A 70 21.154 1.904 0.955 1.00 0.00 C ATOM 1051 CD LYS A 70 21.237 0.484 1.491 1.00 0.00 C ATOM 1052 CE LYS A 70 20.456 -0.487 0.621 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.788 -1.544 1.430 1.00 0.00 N ATOM 0 H LYS A 70 20.916 4.311 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 70 23.410 3.358 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.175 2.051 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.535 1.174 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.573 2.595 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.109 2.181 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.280 0.173 1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.849 0.455 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.707 0.060 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.130 -0.952 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.266 -2.186 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.505 -2.083 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.126 -1.102 2.100 1.00 0.00 H new ATOM 1067 N LYS A 71 23.014 3.539 -2.850 1.00 0.00 N ATOM 1068 CA LYS A 71 23.738 3.523 -4.118 1.00 0.00 C ATOM 1069 C LYS A 71 24.300 2.135 -4.399 1.00 0.00 C ATOM 1070 O LYS A 71 25.397 1.797 -3.956 1.00 0.00 O ATOM 1071 CB LYS A 71 24.868 4.553 -4.098 1.00 0.00 C ATOM 1072 CG LYS A 71 24.390 5.975 -3.850 1.00 0.00 C ATOM 1073 CD LYS A 71 25.064 6.960 -4.792 1.00 0.00 C ATOM 1074 CE LYS A 71 24.496 8.362 -4.630 1.00 0.00 C ATOM 1075 NZ LYS A 71 23.546 8.708 -5.723 1.00 0.00 N ATOM 0 H LYS A 71 22.025 3.775 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 71 23.039 3.782 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 25.585 4.279 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 71 25.398 4.517 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 71 23.309 6.025 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.599 6.256 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 71 26.136 6.976 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.932 6.629 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.987 8.438 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.312 9.085 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.182 9.671 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.038 8.661 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.754 8.034 -5.720 1.00 0.00 H new ATOM 1089 N ARG A 72 23.540 1.331 -5.136 1.00 0.00 N ATOM 1090 CA ARG A 72 23.960 -0.024 -5.473 1.00 0.00 C ATOM 1091 C ARG A 72 24.369 -0.121 -6.941 1.00 0.00 C ATOM 1092 O ARG A 72 23.873 0.625 -7.786 1.00 0.00 O ATOM 1093 CB ARG A 72 22.837 -1.019 -5.155 1.00 0.00 C ATOM 1094 CG ARG A 72 21.779 -1.130 -6.241 1.00 0.00 C ATOM 1095 CD ARG A 72 22.204 -2.108 -7.323 1.00 0.00 C ATOM 1096 NE ARG A 72 21.189 -3.130 -7.569 1.00 0.00 N ATOM 1097 CZ ARG A 72 21.024 -4.211 -6.811 1.00 0.00 C ATOM 1098 NH1 ARG A 72 21.804 -4.418 -5.757 1.00 0.00 N ATOM 1099 NH2 ARG A 72 20.076 -5.090 -7.107 1.00 0.00 N ATOM 0 H ARG A 72 22.629 1.595 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 72 24.831 -0.275 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.275 -2.003 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.356 -0.722 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.836 -1.456 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.603 -0.149 -6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.401 -1.563 -8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.138 -2.588 -7.031 1.00 0.00 H new ATOM 0 HE ARG A 72 20.570 -3.007 -8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.535 -3.746 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.672 -5.249 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.473 -4.937 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.949 -5.919 -6.526 1.00 0.00 H new ATOM 1113 N LYS A 73 25.279 -1.045 -7.237 1.00 0.00 N ATOM 1114 CA LYS A 73 25.758 -1.241 -8.600 1.00 0.00 C ATOM 1115 C LYS A 73 24.847 -2.190 -9.370 1.00 0.00 C ATOM 1116 O LYS A 73 24.295 -3.134 -8.805 1.00 0.00 O ATOM 1117 CB LYS A 73 27.185 -1.789 -8.589 1.00 0.00 C ATOM 1118 CG LYS A 73 28.202 -0.832 -7.987 1.00 0.00 C ATOM 1119 CD LYS A 73 29.005 -0.122 -9.065 1.00 0.00 C ATOM 1120 CE LYS A 73 30.342 0.368 -8.533 1.00 0.00 C ATOM 1121 NZ LYS A 73 30.201 1.054 -7.220 1.00 0.00 N ATOM 0 H LYS A 73 25.699 -1.670 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 73 25.750 -0.272 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 73 27.202 -2.723 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 73 27.482 -2.025 -9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 73 27.689 -0.095 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.877 -1.382 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 73 29.172 -0.800 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 28.433 0.723 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 73 31.023 -0.477 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 73 30.790 1.052 -9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 30.993 0.786 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 30.208 2.084 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 29.304 0.773 -6.776 1.00 0.00 H new ATOM 1135 N ASP A 74 24.696 -1.935 -10.666 1.00 0.00 N ATOM 1136 CA ASP A 74 23.853 -2.766 -11.516 1.00 0.00 C ATOM 1137 C ASP A 74 24.683 -3.823 -12.239 1.00 0.00 C ATOM 1138 O ASP A 74 25.905 -3.866 -12.105 1.00 0.00 O ATOM 1139 CB ASP A 74 23.102 -1.902 -12.531 1.00 0.00 C ATOM 1140 CG ASP A 74 24.036 -1.125 -13.438 1.00 0.00 C ATOM 1141 OD1 ASP A 74 25.232 -1.479 -13.504 1.00 0.00 O ATOM 1142 OD2 ASP A 74 23.572 -0.162 -14.083 1.00 0.00 O ATOM 0 H ASP A 74 25.147 -1.159 -11.150 1.00 0.00 H new ATOM 0 HA ASP A 74 23.128 -3.274 -10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.458 -2.538 -13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 74 22.453 -1.205 -12.000 1.00 0.00 H new ATOM 1147 N ASN A 75 24.008 -4.675 -13.005 1.00 0.00 N ATOM 1148 CA ASN A 75 24.680 -5.734 -13.750 1.00 0.00 C ATOM 1149 C ASN A 75 25.689 -5.161 -14.742 1.00 0.00 C ATOM 1150 O ASN A 75 26.597 -5.862 -15.190 1.00 0.00 O ATOM 1151 CB ASN A 75 23.654 -6.595 -14.490 1.00 0.00 C ATOM 1152 CG ASN A 75 22.729 -7.333 -13.544 1.00 0.00 C ATOM 1153 OD1 ASN A 75 23.018 -7.471 -12.355 1.00 0.00 O ATOM 1154 ND2 ASN A 75 21.606 -7.813 -14.066 1.00 0.00 N ATOM 0 H ASN A 75 22.995 -4.652 -13.126 1.00 0.00 H new ATOM 0 HA ASN A 75 25.221 -6.353 -13.034 1.00 0.00 H new ATOM 0 HB2 ASN A 75 23.063 -5.962 -15.152 1.00 0.00 H new ATOM 0 HB3 ASN A 75 24.175 -7.316 -15.120 1.00 0.00 H new ATOM 0 HD21 ASN A 75 20.945 -8.318 -13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 75 21.405 -7.676 -15.057 1.00 0.00 H new ATOM 1161 N GLU A 76 25.526 -3.887 -15.082 1.00 0.00 N ATOM 1162 CA GLU A 76 26.425 -3.226 -16.023 1.00 0.00 C ATOM 1163 C GLU A 76 27.630 -2.609 -15.309 1.00 0.00 C ATOM 1164 O GLU A 76 28.399 -1.863 -15.914 1.00 0.00 O ATOM 1165 CB GLU A 76 25.674 -2.144 -16.801 1.00 0.00 C ATOM 1166 CG GLU A 76 24.497 -2.678 -17.601 1.00 0.00 C ATOM 1167 CD GLU A 76 23.825 -1.605 -18.435 1.00 0.00 C ATOM 1168 OE1 GLU A 76 23.090 -0.776 -17.857 1.00 0.00 O ATOM 1169 OE2 GLU A 76 24.034 -1.592 -19.668 1.00 0.00 O ATOM 0 H GLU A 76 24.781 -3.291 -14.721 1.00 0.00 H new ATOM 0 HA GLU A 76 26.793 -3.983 -16.716 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.315 -1.388 -16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 76 26.368 -1.647 -17.479 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.841 -3.479 -18.255 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.767 -3.114 -16.919 1.00 0.00 H new ATOM 1176 N GLY A 77 27.789 -2.925 -14.027 1.00 0.00 N ATOM 1177 CA GLY A 77 28.904 -2.389 -13.267 1.00 0.00 C ATOM 1178 C GLY A 77 28.767 -0.903 -12.996 1.00 0.00 C ATOM 1179 O GLY A 77 29.745 -0.233 -12.662 1.00 0.00 O ATOM 0 H GLY A 77 27.168 -3.541 -13.502 1.00 0.00 H new ATOM 0 HA2 GLY A 77 28.982 -2.921 -12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 77 29.831 -2.571 -13.812 1.00 0.00 H new ATOM 1183 N ASN A 78 27.550 -0.382 -13.137 1.00 0.00 N ATOM 1184 CA ASN A 78 27.293 1.035 -12.904 1.00 0.00 C ATOM 1185 C ASN A 78 26.355 1.226 -11.717 1.00 0.00 C ATOM 1186 O ASN A 78 25.461 0.414 -11.482 1.00 0.00 O ATOM 1187 CB ASN A 78 26.692 1.679 -14.154 1.00 0.00 C ATOM 1188 CG ASN A 78 27.610 1.577 -15.356 1.00 0.00 C ATOM 1189 OD1 ASN A 78 27.220 0.764 -16.330 1.00 0.00 O flip ATOM 1190 ND2 ASN A 78 28.656 2.222 -15.408 1.00 0.00 N flip ATOM 0 H ASN A 78 26.728 -0.920 -13.411 1.00 0.00 H new ATOM 0 HA ASN A 78 28.242 1.520 -12.677 1.00 0.00 H new ATOM 0 HB2 ASN A 78 25.741 1.199 -14.385 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.478 2.729 -13.952 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.916 2.835 -14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.263 2.144 -16.224 1.00 0.00 H new ATOM 1197 N GLU A 79 26.565 2.305 -10.972 1.00 0.00 N ATOM 1198 CA GLU A 79 25.737 2.603 -9.809 1.00 0.00 C ATOM 1199 C GLU A 79 24.365 3.117 -10.233 1.00 0.00 C ATOM 1200 O GLU A 79 24.244 3.859 -11.208 1.00 0.00 O ATOM 1201 CB GLU A 79 26.426 3.636 -8.916 1.00 0.00 C ATOM 1202 CG GLU A 79 27.765 3.171 -8.368 1.00 0.00 C ATOM 1203 CD GLU A 79 28.915 3.449 -9.319 1.00 0.00 C ATOM 1204 OE1 GLU A 79 28.658 3.947 -10.434 1.00 0.00 O ATOM 1205 OE2 GLU A 79 30.074 3.167 -8.946 1.00 0.00 O ATOM 0 H GLU A 79 27.301 2.988 -11.152 1.00 0.00 H new ATOM 0 HA GLU A 79 25.601 1.679 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 79 26.575 4.554 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.767 3.881 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 79 27.957 3.669 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 79 27.718 2.101 -8.164 1.00 0.00 H new ATOM 1212 N VAL A 80 23.336 2.719 -9.493 1.00 0.00 N ATOM 1213 CA VAL A 80 21.972 3.143 -9.792 1.00 0.00 C ATOM 1214 C VAL A 80 21.273 3.654 -8.541 1.00 0.00 C ATOM 1215 O VAL A 80 21.661 3.321 -7.422 1.00 0.00 O ATOM 1216 CB VAL A 80 21.131 1.996 -10.406 1.00 0.00 C ATOM 1217 CG1 VAL A 80 21.961 1.191 -11.395 1.00 0.00 C ATOM 1218 CG2 VAL A 80 20.556 1.086 -9.320 1.00 0.00 C ATOM 0 H VAL A 80 23.419 2.105 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 80 22.050 3.948 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 80 20.295 2.446 -10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.352 0.391 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.305 1.844 -12.197 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.822 0.761 -10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.971 0.291 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.371 0.648 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.916 1.669 -8.658 1.00 0.00 H new ATOM 1228 N VAL A 81 20.230 4.449 -8.738 1.00 0.00 N ATOM 1229 CA VAL A 81 19.460 4.983 -7.628 1.00 0.00 C ATOM 1230 C VAL A 81 18.161 4.199 -7.479 1.00 0.00 C ATOM 1231 O VAL A 81 17.197 4.441 -8.205 1.00 0.00 O ATOM 1232 CB VAL A 81 19.132 6.475 -7.833 1.00 0.00 C ATOM 1233 CG1 VAL A 81 18.556 7.074 -6.559 1.00 0.00 C ATOM 1234 CG2 VAL A 81 20.370 7.238 -8.278 1.00 0.00 C ATOM 0 H VAL A 81 19.899 4.737 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 81 20.064 4.886 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 81 18.381 6.559 -8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 81 18.330 8.128 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 81 17.642 6.545 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 81 19.282 6.979 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 81 20.119 8.289 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 81 21.146 7.148 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 81 20.734 6.824 -9.218 1.00 0.00 H new ATOM 1244 N PRO A 82 18.119 3.229 -6.548 1.00 0.00 N ATOM 1245 CA PRO A 82 16.935 2.401 -6.330 1.00 0.00 C ATOM 1246 C PRO A 82 15.648 3.221 -6.276 1.00 0.00 C ATOM 1247 O PRO A 82 15.685 4.439 -6.103 1.00 0.00 O ATOM 1248 CB PRO A 82 17.207 1.745 -4.979 1.00 0.00 C ATOM 1249 CG PRO A 82 18.690 1.661 -4.894 1.00 0.00 C ATOM 1250 CD PRO A 82 19.226 2.853 -5.643 1.00 0.00 C ATOM 0 HA PRO A 82 16.781 1.691 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.796 2.337 -4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.750 0.757 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 82 19.021 1.674 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 82 19.052 0.731 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 82 19.484 3.668 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 82 20.130 2.603 -6.199 1.00 0.00 H new ATOM 1258 N LYS A 83 14.514 2.546 -6.422 1.00 0.00 N ATOM 1259 CA LYS A 83 13.218 3.214 -6.386 1.00 0.00 C ATOM 1260 C LYS A 83 12.373 2.703 -5.227 1.00 0.00 C ATOM 1261 O LYS A 83 12.478 1.543 -4.830 1.00 0.00 O ATOM 1262 CB LYS A 83 12.475 3.012 -7.708 1.00 0.00 C ATOM 1263 CG LYS A 83 13.228 3.546 -8.916 1.00 0.00 C ATOM 1264 CD LYS A 83 12.644 3.014 -10.215 1.00 0.00 C ATOM 1265 CE LYS A 83 11.334 3.703 -10.562 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.551 4.953 -11.339 1.00 0.00 N ATOM 0 H LYS A 83 14.465 1.537 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 83 13.393 4.280 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.285 1.948 -7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.504 3.504 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.190 4.635 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.278 3.264 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.359 3.162 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.479 1.940 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.708 3.022 -11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.792 3.935 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.633 5.391 -11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.127 5.614 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.045 4.729 -12.226 1.00 0.00 H new ATOM 1280 N PRO A 84 11.535 3.581 -4.659 1.00 0.00 N ATOM 1281 CA PRO A 84 10.671 3.251 -3.523 1.00 0.00 C ATOM 1282 C PRO A 84 9.505 2.351 -3.914 1.00 0.00 C ATOM 1283 O PRO A 84 8.856 2.569 -4.938 1.00 0.00 O ATOM 1284 CB PRO A 84 10.164 4.619 -3.051 1.00 0.00 C ATOM 1285 CG PRO A 84 11.043 5.602 -3.740 1.00 0.00 C ATOM 1286 CD PRO A 84 11.367 4.979 -5.053 1.00 0.00 C ATOM 0 HA PRO A 84 11.207 2.693 -2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.118 4.768 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.234 4.716 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.537 6.559 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.947 5.796 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.567 5.110 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.272 5.395 -5.496 1.00 0.00 H new ATOM 1294 N GLN A 85 9.240 1.340 -3.091 1.00 0.00 N ATOM 1295 CA GLN A 85 8.148 0.410 -3.355 1.00 0.00 C ATOM 1296 C GLN A 85 6.799 1.114 -3.238 1.00 0.00 C ATOM 1297 O GLN A 85 6.646 2.056 -2.463 1.00 0.00 O ATOM 1298 CB GLN A 85 8.206 -0.769 -2.382 1.00 0.00 C ATOM 1299 CG GLN A 85 9.043 -1.934 -2.886 1.00 0.00 C ATOM 1300 CD GLN A 85 8.608 -2.416 -4.256 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.424 -2.659 -4.494 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.565 -2.558 -5.166 1.00 0.00 N ATOM 0 H GLN A 85 9.765 1.145 -2.239 1.00 0.00 H new ATOM 0 HA GLN A 85 8.259 0.036 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.613 -0.425 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.192 -1.119 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.090 -1.633 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.975 -2.759 -2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.533 -2.345 -4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.332 -2.880 -6.105 1.00 0.00 H new ATOM 1311 N ARG A 86 5.826 0.648 -4.012 1.00 0.00 N ATOM 1312 CA ARG A 86 4.490 1.231 -3.994 1.00 0.00 C ATOM 1313 C ARG A 86 3.440 0.188 -4.366 1.00 0.00 C ATOM 1314 O ARG A 86 3.472 -0.377 -5.459 1.00 0.00 O ATOM 1315 CB ARG A 86 4.414 2.416 -4.961 1.00 0.00 C ATOM 1316 CG ARG A 86 4.717 3.753 -4.306 1.00 0.00 C ATOM 1317 CD ARG A 86 5.257 4.757 -5.312 1.00 0.00 C ATOM 1318 NE ARG A 86 4.188 5.508 -5.966 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.566 6.547 -5.413 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.899 6.958 -4.195 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.607 7.177 -6.078 1.00 0.00 N ATOM 0 H ARG A 86 5.937 -0.132 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 86 4.286 1.584 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.116 2.253 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.417 2.453 -5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.811 4.148 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.444 3.611 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.930 5.450 -4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.846 4.234 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 86 3.901 5.219 -6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.635 6.477 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.419 7.755 -3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.346 6.865 -7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.131 7.973 -5.654 1.00 0.00 H new ATOM 1335 N HIS A 87 2.509 -0.060 -3.451 1.00 0.00 N ATOM 1336 CA HIS A 87 1.448 -1.033 -3.685 1.00 0.00 C ATOM 1337 C HIS A 87 0.128 -0.332 -3.983 1.00 0.00 C ATOM 1338 O HIS A 87 -0.158 0.731 -3.430 1.00 0.00 O ATOM 1339 CB HIS A 87 1.291 -1.953 -2.472 1.00 0.00 C ATOM 1340 CG HIS A 87 2.562 -2.633 -2.066 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.129 -3.662 -2.788 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.379 -2.424 -1.006 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.238 -4.058 -2.189 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.413 -3.322 -1.107 1.00 0.00 N ATOM 0 H HIS A 87 2.468 0.399 -2.541 1.00 0.00 H new ATOM 0 HA HIS A 87 1.724 -1.634 -4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.916 -1.370 -1.631 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.539 -2.710 -2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.243 -1.689 -0.227 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.891 -4.849 -2.527 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.190 -3.407 -0.452 1.00 0.00 H new ATOM 1353 N MET A 88 -0.672 -0.927 -4.860 1.00 0.00 N ATOM 1354 CA MET A 88 -1.959 -0.351 -5.231 1.00 0.00 C ATOM 1355 C MET A 88 -3.099 -1.328 -4.963 1.00 0.00 C ATOM 1356 O MET A 88 -3.152 -2.412 -5.544 1.00 0.00 O ATOM 1357 CB MET A 88 -1.954 0.052 -6.707 1.00 0.00 C ATOM 1358 CG MET A 88 -3.241 0.725 -7.158 1.00 0.00 C ATOM 1359 SD MET A 88 -3.248 1.092 -8.924 1.00 0.00 S ATOM 1360 CE MET A 88 -4.809 1.956 -9.083 1.00 0.00 C ATOM 0 H MET A 88 -0.453 -1.807 -5.327 1.00 0.00 H new ATOM 0 HA MET A 88 -2.118 0.536 -4.617 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.118 0.727 -6.888 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.785 -0.835 -7.317 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.087 0.079 -6.921 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.379 1.650 -6.598 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.967 2.234 -10.125 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.620 1.306 -8.754 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.792 2.855 -8.467 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.012 -0.931 -4.084 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.158 -1.764 -3.739 1.00 0.00 C ATOM 1372 C PHE A 89 -6.460 -1.000 -3.959 1.00 0.00 C ATOM 1373 O PHE A 89 -6.536 0.199 -3.696 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.063 -2.225 -2.283 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.847 -3.058 -1.995 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.885 -4.435 -2.137 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.666 -2.463 -1.581 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.767 -5.204 -1.872 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.545 -3.228 -1.315 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.597 -4.600 -1.460 1.00 0.00 C ATOM 0 H PHE A 89 -3.981 -0.036 -3.596 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.152 -2.640 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.056 -1.350 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.955 -2.800 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.798 -4.914 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.620 -1.390 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.810 -6.277 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.630 -2.753 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.723 -5.199 -1.251 1.00 0.00 H new ATOM 1390 N SER A 90 -7.480 -1.697 -4.447 1.00 0.00 N ATOM 1391 CA SER A 90 -8.772 -1.077 -4.704 1.00 0.00 C ATOM 1392 C SER A 90 -9.845 -1.642 -3.778 1.00 0.00 C ATOM 1393 O SER A 90 -9.930 -2.852 -3.574 1.00 0.00 O ATOM 1394 CB SER A 90 -9.175 -1.291 -6.162 1.00 0.00 C ATOM 1395 OG SER A 90 -8.687 -2.528 -6.649 1.00 0.00 O ATOM 0 H SER A 90 -7.436 -2.691 -4.672 1.00 0.00 H new ATOM 0 HA SER A 90 -8.681 -0.008 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.261 -1.265 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.786 -0.477 -6.773 1.00 0.00 H new ATOM 0 HG SER A 90 -8.848 -2.586 -7.614 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.664 -0.756 -3.223 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.736 -1.163 -2.321 1.00 0.00 C ATOM 1403 C PHE A 91 -13.087 -0.687 -2.839 1.00 0.00 C ATOM 1404 O PHE A 91 -13.167 0.275 -3.602 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.493 -0.601 -0.919 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.242 -1.117 -0.267 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.995 -0.719 -0.721 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.313 -1.997 0.801 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.842 -1.190 -0.123 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.163 -2.470 1.403 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.926 -2.067 0.941 1.00 0.00 C ATOM 0 H PHE A 91 -10.606 0.250 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.744 -2.252 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.439 0.486 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.347 -0.844 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.923 -0.033 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.278 -2.317 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.876 -0.873 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.232 -3.155 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.026 -2.436 1.410 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.151 -1.364 -2.419 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.499 -1.002 -2.839 1.00 0.00 C ATOM 1423 C ASN A 92 -16.362 -0.614 -1.642 1.00 0.00 C ATOM 1424 O ASN A 92 -17.591 -0.638 -1.718 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.153 -2.158 -3.593 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.347 -2.593 -4.801 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.504 -1.848 -5.299 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.605 -3.805 -5.278 1.00 0.00 N ATOM 0 H ASN A 92 -14.106 -2.165 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.420 -0.141 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.275 -3.005 -2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.151 -1.860 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.095 -4.153 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.313 -4.388 -4.832 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.715 -0.258 -0.537 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.428 0.135 0.671 1.00 0.00 C ATOM 1437 C ASN A 93 -15.635 1.182 1.448 1.00 0.00 C ATOM 1438 O ASN A 93 -14.586 0.884 2.018 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.687 -1.086 1.556 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.580 -2.108 0.880 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.683 -1.788 0.437 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.105 -3.345 0.797 1.00 0.00 N ATOM 0 H ASN A 93 -14.699 -0.234 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.384 0.569 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.736 -1.552 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.149 -0.764 2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.660 -4.076 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.185 -3.565 1.178 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.143 2.411 1.463 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.480 3.502 2.169 1.00 0.00 C ATOM 1451 C ARG A 94 -15.226 3.137 3.626 1.00 0.00 C ATOM 1452 O ARG A 94 -14.274 3.614 4.242 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.324 4.775 2.089 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.596 5.234 0.666 1.00 0.00 C ATOM 1455 CD ARG A 94 -16.419 6.737 0.523 1.00 0.00 C ATOM 1456 NE ARG A 94 -16.882 7.222 -0.775 1.00 0.00 N ATOM 1457 CZ ARG A 94 -16.172 7.137 -1.896 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.965 6.584 -1.886 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.667 7.605 -3.034 1.00 0.00 N ATOM 0 H ARG A 94 -17.010 2.676 0.995 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.518 3.680 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.274 4.604 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.815 5.573 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.921 4.720 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.611 4.957 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.969 7.244 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.367 6.992 0.651 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.806 7.652 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.577 6.221 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.425 6.522 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.594 8.031 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.121 7.539 -3.893 1.00 0.00 H new ATOM 1473 N THR A 95 -16.088 2.292 4.169 1.00 0.00 N ATOM 1474 CA THR A 95 -15.982 1.852 5.537 1.00 0.00 C ATOM 1475 C THR A 95 -14.872 0.821 5.704 1.00 0.00 C ATOM 1476 O THR A 95 -13.969 0.992 6.522 1.00 0.00 O ATOM 1477 CB THR A 95 -17.316 1.267 5.961 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.339 1.625 5.046 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.753 1.716 7.328 1.00 0.00 C ATOM 0 H THR A 95 -16.881 1.895 3.665 1.00 0.00 H new ATOM 0 HA THR A 95 -15.729 2.704 6.168 1.00 0.00 H new ATOM 0 HB THR A 95 -17.163 0.188 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.190 1.236 5.338 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.714 1.262 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.011 1.411 8.066 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.851 2.801 7.340 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.942 -0.252 4.919 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.935 -1.306 4.984 1.00 0.00 C ATOM 1489 C VAL A 96 -12.544 -0.733 4.756 1.00 0.00 C ATOM 1490 O VAL A 96 -11.614 -1.017 5.512 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.208 -2.412 3.946 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.197 -3.542 4.083 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.629 -2.937 4.086 1.00 0.00 C ATOM 0 H VAL A 96 -15.681 -0.413 4.235 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.989 -1.744 5.981 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.100 -1.982 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.409 -4.312 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.192 -3.152 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.266 -3.973 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.803 -3.717 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.768 -3.349 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.335 -2.122 3.928 1.00 0.00 H new ATOM 1503 N MET A 97 -12.411 0.089 3.722 1.00 0.00 N ATOM 1504 CA MET A 97 -11.134 0.714 3.414 1.00 0.00 C ATOM 1505 C MET A 97 -10.715 1.624 4.559 1.00 0.00 C ATOM 1506 O MET A 97 -9.532 1.734 4.881 1.00 0.00 O ATOM 1507 CB MET A 97 -11.226 1.513 2.116 1.00 0.00 C ATOM 1508 CG MET A 97 -12.378 2.503 2.093 1.00 0.00 C ATOM 1509 SD MET A 97 -11.823 4.218 2.140 1.00 0.00 S ATOM 1510 CE MET A 97 -10.855 4.297 0.635 1.00 0.00 C ATOM 0 H MET A 97 -13.169 0.336 3.086 1.00 0.00 H new ATOM 0 HA MET A 97 -10.385 -0.068 3.285 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.291 2.052 1.964 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.335 0.822 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.972 2.342 1.193 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.032 2.313 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.097 5.074 0.730 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.370 3.336 0.463 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.508 4.529 -0.206 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.700 2.268 5.178 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.441 3.162 6.298 1.00 0.00 C ATOM 1522 C ASP A 98 -10.800 2.400 7.447 1.00 0.00 C ATOM 1523 O ASP A 98 -9.945 2.926 8.159 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.735 3.831 6.765 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.973 5.166 6.088 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.990 5.776 5.615 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -14.141 5.602 6.028 1.00 0.00 O ATOM 0 H ASP A 98 -12.684 2.186 4.922 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.752 3.938 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.577 3.169 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.697 3.976 7.845 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.213 1.151 7.611 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.671 0.303 8.664 1.00 0.00 C ATOM 1534 C ASN A 99 -9.210 -0.022 8.378 1.00 0.00 C ATOM 1535 O ASN A 99 -8.391 -0.117 9.292 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.483 -0.988 8.785 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.942 -0.724 9.101 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.830 -1.489 8.478 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -13.268 0.157 9.897 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.921 0.703 7.029 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.735 0.843 9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.411 -1.548 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.052 -1.614 9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.552 0.722 10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.254 0.322 10.100 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.893 -0.180 7.096 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.532 -0.481 6.672 1.00 0.00 C ATOM 1548 C ILE A 100 -6.627 0.729 6.866 1.00 0.00 C ATOM 1549 O ILE A 100 -5.567 0.637 7.485 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.492 -0.900 5.189 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.501 -2.018 4.926 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.089 -1.335 4.792 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.108 -3.341 5.543 1.00 0.00 C ATOM 0 H ILE A 100 -9.564 -0.104 6.331 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.176 -1.307 7.288 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.765 -0.039 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.474 -1.718 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.616 -2.148 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.082 -1.627 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.395 -0.508 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.783 -2.182 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.869 -4.088 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.150 -3.663 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.021 -3.227 6.624 1.00 0.00 H new ATOM 1565 N LYS A 101 -7.062 1.862 6.331 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.307 3.103 6.437 1.00 0.00 C ATOM 1567 C LYS A 101 -6.144 3.516 7.894 1.00 0.00 C ATOM 1568 O LYS A 101 -5.175 4.182 8.260 1.00 0.00 O ATOM 1569 CB LYS A 101 -7.013 4.210 5.656 1.00 0.00 C ATOM 1570 CG LYS A 101 -6.151 5.440 5.419 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.924 6.728 5.665 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.245 6.752 4.909 1.00 0.00 C ATOM 1573 NZ LYS A 101 -9.408 6.898 5.828 1.00 0.00 N ATOM 0 H LYS A 101 -7.939 1.947 5.817 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.316 2.940 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.336 3.813 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.912 4.507 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.282 5.407 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.777 5.430 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.115 6.838 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.316 7.580 5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.240 7.576 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.351 5.833 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.224 6.382 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.164 6.509 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.649 7.905 5.925 1.00 0.00 H new ATOM 1587 N MET A 102 -7.101 3.114 8.719 1.00 0.00 N ATOM 1588 CA MET A 102 -7.073 3.433 10.140 1.00 0.00 C ATOM 1589 C MET A 102 -6.110 2.517 10.876 1.00 0.00 C ATOM 1590 O MET A 102 -5.370 2.951 11.759 1.00 0.00 O ATOM 1591 CB MET A 102 -8.474 3.320 10.743 1.00 0.00 C ATOM 1592 CG MET A 102 -9.326 4.562 10.540 1.00 0.00 C ATOM 1593 SD MET A 102 -10.879 4.494 11.454 1.00 0.00 S ATOM 1594 CE MET A 102 -11.599 2.996 10.789 1.00 0.00 C ATOM 0 H MET A 102 -7.909 2.564 8.427 1.00 0.00 H new ATOM 0 HA MET A 102 -6.727 4.461 10.251 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.983 2.464 10.300 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.386 3.121 11.811 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.762 5.440 10.854 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.539 4.683 9.478 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.604 2.865 11.191 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.650 3.068 9.703 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.983 2.141 11.068 1.00 0.00 H new ATOM 1604 N THR A 103 -6.123 1.241 10.506 1.00 0.00 N ATOM 1605 CA THR A 103 -5.251 0.262 11.128 1.00 0.00 C ATOM 1606 C THR A 103 -3.833 0.376 10.574 1.00 0.00 C ATOM 1607 O THR A 103 -2.857 0.121 11.281 1.00 0.00 O ATOM 1608 CB THR A 103 -5.818 -1.144 10.920 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.271 -1.686 12.147 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.826 -2.110 10.334 1.00 0.00 C ATOM 0 H THR A 103 -6.730 0.864 9.778 1.00 0.00 H new ATOM 0 HA THR A 103 -5.202 0.458 12.199 1.00 0.00 H new ATOM 0 HB THR A 103 -6.638 -1.021 10.213 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.421 -2.649 12.044 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.296 -3.086 10.214 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.494 -1.745 9.362 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.968 -2.200 11.001 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.723 0.764 9.308 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.423 0.916 8.671 1.00 0.00 C ATOM 1620 C LEU A 104 -1.639 2.053 9.314 1.00 0.00 C ATOM 1621 O LEU A 104 -0.431 1.949 9.521 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.589 1.175 7.172 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.670 -0.082 6.304 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.041 0.279 4.874 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.351 -0.839 6.341 1.00 0.00 C ATOM 0 H LEU A 104 -4.517 0.978 8.705 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.866 -0.011 8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.494 1.763 7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.751 1.782 6.829 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.449 -0.729 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.094 -0.628 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.010 0.778 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.285 0.946 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.426 -1.731 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.553 -0.199 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.128 -1.131 7.367 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.337 3.138 9.634 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.709 4.297 10.258 1.00 0.00 C ATOM 1639 C GLN A 105 -1.141 3.941 11.625 1.00 0.00 C ATOM 1640 O GLN A 105 -0.172 4.546 12.084 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.719 5.440 10.391 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.739 6.377 9.195 1.00 0.00 C ATOM 1643 CD GLN A 105 -2.611 7.836 9.594 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -1.874 8.176 10.519 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.332 8.705 8.895 1.00 0.00 N ATOM 0 H GLN A 105 -3.339 3.239 9.471 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.887 4.620 9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.715 5.019 10.529 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.489 6.015 11.288 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.924 6.116 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.668 6.235 8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.930 8.378 8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.288 9.700 9.117 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.751 2.957 12.270 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.308 2.516 13.588 1.00 0.00 C ATOM 1656 C GLN A 106 0.033 1.793 13.502 1.00 0.00 C ATOM 1657 O GLN A 106 0.876 1.924 14.389 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.353 1.594 14.220 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.680 2.283 14.501 1.00 0.00 C ATOM 1660 CD GLN A 106 -3.527 3.506 15.384 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -2.852 3.462 16.412 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -4.154 4.604 14.985 1.00 0.00 N ATOM 0 H GLN A 106 -2.555 2.447 11.903 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.185 3.401 14.213 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.526 0.746 13.557 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.956 1.194 15.153 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.140 2.576 13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.358 1.576 14.980 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.703 4.594 14.125 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.088 5.459 15.538 1.00 0.00 H new ATOM 1671 N ILE A 107 0.220 1.029 12.432 1.00 0.00 N ATOM 1672 CA ILE A 107 1.458 0.283 12.233 1.00 0.00 C ATOM 1673 C ILE A 107 2.627 1.216 11.937 1.00 0.00 C ATOM 1674 O ILE A 107 3.697 1.087 12.533 1.00 0.00 O ATOM 1675 CB ILE A 107 1.316 -0.745 11.091 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.152 -1.696 11.380 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.610 -1.525 10.908 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.689 -2.012 10.163 1.00 0.00 C ATOM 0 H ILE A 107 -0.469 0.910 11.689 1.00 0.00 H new ATOM 0 HA ILE A 107 1.660 -0.249 13.162 1.00 0.00 H new ATOM 0 HB ILE A 107 1.108 -0.209 10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.547 -2.626 11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.485 -1.255 12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.490 -2.245 10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.419 -0.836 10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.850 -2.054 11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.494 -2.691 10.444 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.114 -1.090 9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.066 -2.483 9.402 1.00 0.00 H new ATOM 1690 N ILE A 108 2.418 2.163 11.029 1.00 0.00 N ATOM 1691 CA ILE A 108 3.467 3.120 10.682 1.00 0.00 C ATOM 1692 C ILE A 108 3.916 3.851 11.924 1.00 0.00 C ATOM 1693 O ILE A 108 5.072 3.770 12.340 1.00 0.00 O ATOM 1694 CB ILE A 108 2.995 4.176 9.659 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.076 3.560 8.608 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.191 4.846 8.999 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.065 4.540 8.060 1.00 0.00 C ATOM 0 H ILE A 108 1.541 2.290 10.523 1.00 0.00 H new ATOM 0 HA ILE A 108 4.279 2.545 10.237 1.00 0.00 H new ATOM 0 HB ILE A 108 2.423 4.932 10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.680 3.173 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.551 2.711 9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.842 5.588 8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.799 5.336 9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.790 4.095 8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.441 4.042 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.438 4.909 8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.585 5.377 7.595 1.00 0.00 H new ATOM 1709 N SER A 109 2.969 4.548 12.516 1.00 0.00 N ATOM 1710 CA SER A 109 3.218 5.300 13.739 1.00 0.00 C ATOM 1711 C SER A 109 3.877 4.410 14.787 1.00 0.00 C ATOM 1712 O SER A 109 4.632 4.883 15.637 1.00 0.00 O ATOM 1713 CB SER A 109 1.911 5.878 14.286 1.00 0.00 C ATOM 1714 OG SER A 109 1.258 6.676 13.313 1.00 0.00 O ATOM 0 H SER A 109 2.011 4.613 12.171 1.00 0.00 H new ATOM 0 HA SER A 109 3.893 6.123 13.505 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.253 5.066 14.596 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.118 6.477 15.173 1.00 0.00 H new ATOM 0 HG SER A 109 0.700 6.106 12.744 1.00 0.00 H new ATOM 1720 N ARG A 110 3.587 3.116 14.711 1.00 0.00 N ATOM 1721 CA ARG A 110 4.150 2.147 15.642 1.00 0.00 C ATOM 1722 C ARG A 110 5.656 2.028 15.453 1.00 0.00 C ATOM 1723 O ARG A 110 6.402 1.836 16.414 1.00 0.00 O ATOM 1724 CB ARG A 110 3.489 0.779 15.448 1.00 0.00 C ATOM 1725 CG ARG A 110 2.695 0.307 16.654 1.00 0.00 C ATOM 1726 CD ARG A 110 2.249 -1.137 16.492 1.00 0.00 C ATOM 1727 NE ARG A 110 1.377 -1.565 17.584 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.817 -1.921 18.787 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.116 -1.902 19.060 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.955 -2.298 19.723 1.00 0.00 N ATOM 0 H ARG A 110 2.963 2.713 14.012 1.00 0.00 H new ATOM 0 HA ARG A 110 3.955 2.496 16.656 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.827 0.825 14.584 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.259 0.042 15.221 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.304 0.403 17.553 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.823 0.946 16.790 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.725 -1.250 15.543 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.125 -1.785 16.452 1.00 0.00 H new ATOM 0 HE ARG A 110 0.372 -1.592 17.413 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.783 -1.613 18.345 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.447 -2.176 19.985 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.044 -2.314 19.519 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.292 -2.571 20.646 1.00 0.00 H new ATOM 1744 N TYR A 111 6.092 2.144 14.208 1.00 0.00 N ATOM 1745 CA TYR A 111 7.509 2.049 13.882 1.00 0.00 C ATOM 1746 C TYR A 111 8.158 3.429 13.863 1.00 0.00 C ATOM 1747 O TYR A 111 9.321 3.582 14.237 1.00 0.00 O ATOM 1748 CB TYR A 111 7.698 1.359 12.529 1.00 0.00 C ATOM 1749 CG TYR A 111 7.348 -0.112 12.552 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.218 -1.044 13.104 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.146 -0.569 12.027 1.00 0.00 C ATOM 1752 CE1 TYR A 111 7.901 -2.389 13.129 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.821 -1.911 12.050 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.702 -2.817 12.601 1.00 0.00 C ATOM 1755 OH TYR A 111 6.383 -4.155 12.626 1.00 0.00 O ATOM 0 H TYR A 111 5.485 2.304 13.404 1.00 0.00 H new ATOM 0 HA TYR A 111 7.995 1.453 14.654 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.080 1.860 11.784 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.735 1.474 12.213 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.158 -0.712 13.520 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.454 0.137 11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.589 -3.101 13.560 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.881 -2.249 11.638 1.00 0.00 H new ATOM 0 HH TYR A 111 5.772 -4.332 13.372 1.00 0.00 H new ATOM 1765 N LYS A 112 7.400 4.431 13.431 1.00 0.00 N ATOM 1766 CA LYS A 112 7.904 5.797 13.370 1.00 0.00 C ATOM 1767 C LYS A 112 8.200 6.327 14.770 1.00 0.00 C ATOM 1768 O LYS A 112 9.167 7.058 14.979 1.00 0.00 O ATOM 1769 CB LYS A 112 6.895 6.708 12.666 1.00 0.00 C ATOM 1770 CG LYS A 112 7.293 7.069 11.244 1.00 0.00 C ATOM 1771 CD LYS A 112 6.619 6.160 10.228 1.00 0.00 C ATOM 1772 CE LYS A 112 7.637 5.355 9.435 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.771 6.199 8.968 1.00 0.00 N ATOM 0 H LYS A 112 6.435 4.323 13.118 1.00 0.00 H new ATOM 0 HA LYS A 112 8.832 5.791 12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.923 6.215 12.649 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.778 7.624 13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.023 8.105 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.375 6.995 11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.938 5.481 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.017 6.760 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.020 4.543 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.148 4.897 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.056 5.901 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.476 7.196 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.575 6.091 9.619 1.00 0.00 H new ATOM 1787 N ASP A 113 7.356 5.950 15.728 1.00 0.00 N ATOM 1788 CA ASP A 113 7.525 6.383 17.109 1.00 0.00 C ATOM 1789 C ASP A 113 8.856 5.902 17.673 1.00 0.00 C ATOM 1790 O ASP A 113 9.523 6.619 18.418 1.00 0.00 O ATOM 1791 CB ASP A 113 6.372 5.863 17.971 1.00 0.00 C ATOM 1792 CG ASP A 113 6.394 6.440 19.373 1.00 0.00 C ATOM 1793 OD1 ASP A 113 5.863 7.555 19.564 1.00 0.00 O ATOM 1794 OD2 ASP A 113 6.939 5.777 20.280 1.00 0.00 O ATOM 0 H ASP A 113 6.549 5.346 15.571 1.00 0.00 H new ATOM 0 HA ASP A 113 7.520 7.473 17.125 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.424 6.111 17.494 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.425 4.776 18.027 1.00 0.00 H new ATOM 1799 N ALA A 114 9.236 4.680 17.312 1.00 0.00 N ATOM 1800 CA ALA A 114 10.489 4.101 17.782 1.00 0.00 C ATOM 1801 C ALA A 114 11.688 4.876 17.246 1.00 0.00 C ATOM 1802 O ALA A 114 12.702 5.020 17.930 1.00 0.00 O ATOM 1803 CB ALA A 114 10.577 2.640 17.371 1.00 0.00 C ATOM 0 H ALA A 114 8.695 4.073 16.696 1.00 0.00 H new ATOM 0 HA ALA A 114 10.506 4.165 18.870 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.517 2.218 17.727 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.743 2.089 17.806 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.534 2.564 16.284 1.00 0.00 H new ATOM 1809 N ASP A 115 11.565 5.372 16.020 1.00 0.00 N ATOM 1810 CA ASP A 115 12.638 6.135 15.393 1.00 0.00 C ATOM 1811 C ASP A 115 12.077 7.270 14.543 1.00 0.00 C ATOM 1812 O ASP A 115 11.274 6.983 13.630 1.00 0.00 O ATOM 1813 CB ASP A 115 13.504 5.216 14.528 1.00 0.00 C ATOM 1814 CG ASP A 115 14.732 5.922 13.983 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.066 7.012 14.492 1.00 0.00 O ATOM 1816 OD2 ASP A 115 15.360 5.383 13.047 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.443 8.436 14.798 1.00 0.00 O ATOM 0 H ASP A 115 10.733 5.259 15.441 1.00 0.00 H new ATOM 0 HA ASP A 115 13.252 6.568 16.183 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.816 4.354 15.118 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.909 4.836 13.698 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -5.871 5.120 -16.733 1.00 0.00 N ATOM 1824 CA LEU B 45 -5.262 4.854 -18.063 1.00 0.00 C ATOM 1825 C LEU B 45 -3.742 4.964 -18.005 1.00 0.00 C ATOM 1826 O LEU B 45 -3.026 4.059 -18.437 1.00 0.00 O ATOM 1827 CB LEU B 45 -5.826 5.860 -19.066 1.00 0.00 C ATOM 1828 CG LEU B 45 -5.591 5.508 -20.536 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -6.657 6.142 -21.415 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -4.203 5.955 -20.974 1.00 0.00 C ATOM 0 HA LEU B 45 -5.506 3.838 -18.372 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -6.899 5.956 -18.898 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -5.384 6.836 -18.866 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.656 4.425 -20.645 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.473 5.880 -22.457 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.639 5.776 -21.117 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.624 7.226 -21.302 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.052 5.697 -22.022 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.112 7.034 -20.849 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.450 5.454 -20.365 1.00 0.00 H new ATOM 1842 N SER B 46 -3.255 6.077 -17.468 1.00 0.00 N ATOM 1843 CA SER B 46 -1.819 6.307 -17.354 1.00 0.00 C ATOM 1844 C SER B 46 -1.426 6.578 -15.904 1.00 0.00 C ATOM 1845 O SER B 46 -2.279 6.862 -15.064 1.00 0.00 O ATOM 1846 CB SER B 46 -1.398 7.481 -18.239 1.00 0.00 C ATOM 1847 OG SER B 46 -1.647 8.720 -17.597 1.00 0.00 O ATOM 0 H SER B 46 -3.833 6.835 -17.105 1.00 0.00 H new ATOM 0 HA SER B 46 -1.303 5.407 -17.689 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.338 7.398 -18.478 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.941 7.442 -19.183 1.00 0.00 H new ATOM 0 HG SER B 46 -1.368 9.454 -18.183 1.00 0.00 H new ATOM 1853 N PRO B 47 -0.121 6.496 -15.591 1.00 0.00 N ATOM 1854 CA PRO B 47 0.382 6.735 -14.233 1.00 0.00 C ATOM 1855 C PRO B 47 -0.108 8.059 -13.658 1.00 0.00 C ATOM 1856 O PRO B 47 -0.509 8.133 -12.497 1.00 0.00 O ATOM 1857 CB PRO B 47 1.899 6.764 -14.416 1.00 0.00 C ATOM 1858 CG PRO B 47 2.150 5.941 -15.633 1.00 0.00 C ATOM 1859 CD PRO B 47 0.965 6.162 -16.532 1.00 0.00 C ATOM 0 HA PRO B 47 0.037 5.975 -13.532 1.00 0.00 H new ATOM 0 HB2 PRO B 47 2.263 7.783 -14.546 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.411 6.351 -13.547 1.00 0.00 H new ATOM 0 HG2 PRO B 47 3.075 6.243 -16.125 1.00 0.00 H new ATOM 0 HG3 PRO B 47 2.255 4.887 -15.377 1.00 0.00 H new ATOM 0 HD2 PRO B 47 1.144 6.970 -17.242 1.00 0.00 H new ATOM 0 HD3 PRO B 47 0.731 5.271 -17.115 1.00 0.00 H new ATOM 1867 N ASP B 48 -0.073 9.101 -14.481 1.00 0.00 N ATOM 1868 CA ASP B 48 -0.515 10.425 -14.057 1.00 0.00 C ATOM 1869 C ASP B 48 -1.972 10.397 -13.609 1.00 0.00 C ATOM 1870 O ASP B 48 -2.389 11.191 -12.766 1.00 0.00 O ATOM 1871 CB ASP B 48 -0.338 11.433 -15.194 1.00 0.00 C ATOM 1872 CG ASP B 48 1.121 11.676 -15.532 1.00 0.00 C ATOM 1873 OD1 ASP B 48 1.990 11.315 -14.709 1.00 0.00 O ATOM 1874 OD2 ASP B 48 1.394 12.227 -16.619 1.00 0.00 O ATOM 0 H ASP B 48 0.257 9.055 -15.445 1.00 0.00 H new ATOM 0 HA ASP B 48 0.099 10.731 -13.210 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -0.858 11.071 -16.081 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -0.805 12.377 -14.914 1.00 0.00 H new ATOM 1879 N ASP B 49 -2.744 9.480 -14.181 1.00 0.00 N ATOM 1880 CA ASP B 49 -4.153 9.348 -13.844 1.00 0.00 C ATOM 1881 C ASP B 49 -4.333 8.724 -12.464 1.00 0.00 C ATOM 1882 O ASP B 49 -5.088 9.229 -11.636 1.00 0.00 O ATOM 1883 CB ASP B 49 -4.875 8.503 -14.894 1.00 0.00 C ATOM 1884 CG ASP B 49 -4.841 9.138 -16.270 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -4.572 10.356 -16.357 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -5.086 8.419 -17.262 1.00 0.00 O ATOM 0 H ASP B 49 -2.415 8.816 -14.882 1.00 0.00 H new ATOM 0 HA ASP B 49 -4.587 10.348 -13.828 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -4.415 7.516 -14.941 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -5.911 8.358 -14.589 1.00 0.00 H new ATOM 1891 N ILE B 50 -3.638 7.615 -12.228 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.726 6.910 -10.953 1.00 0.00 C ATOM 1893 C ILE B 50 -3.378 7.824 -9.783 1.00 0.00 C ATOM 1894 O ILE B 50 -3.909 7.671 -8.682 1.00 0.00 O ATOM 1895 CB ILE B 50 -2.799 5.678 -10.925 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -3.042 4.797 -12.155 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -3.014 4.877 -9.648 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.488 4.385 -12.328 1.00 0.00 C ATOM 0 H ILE B 50 -3.007 7.185 -12.904 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.760 6.581 -10.851 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.766 6.024 -10.945 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.717 5.334 -13.046 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -2.424 3.902 -12.079 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.352 4.011 -9.646 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.795 5.504 -8.784 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -4.050 4.541 -9.599 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.585 3.763 -13.218 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -4.813 3.820 -11.454 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -5.109 5.274 -12.437 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.489 8.772 -10.031 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.072 9.713 -8.998 1.00 0.00 C ATOM 1912 C GLU B 51 -3.096 10.832 -8.835 1.00 0.00 C ATOM 1913 O GLU B 51 -3.210 11.432 -7.766 1.00 0.00 O ATOM 1914 CB GLU B 51 -0.699 10.303 -9.331 1.00 0.00 C ATOM 1915 CG GLU B 51 -0.663 11.064 -10.646 1.00 0.00 C ATOM 1916 CD GLU B 51 0.630 11.829 -10.844 1.00 0.00 C ATOM 1917 OE1 GLU B 51 1.465 11.839 -9.915 1.00 0.00 O ATOM 1918 OE2 GLU B 51 0.810 12.419 -11.930 1.00 0.00 O ATOM 0 H GLU B 51 -2.041 8.912 -10.937 1.00 0.00 H new ATOM 0 HA GLU B 51 -2.003 9.169 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.396 10.972 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 51 0.034 9.497 -9.368 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.796 10.363 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.501 11.760 -10.681 1.00 0.00 H new ATOM 1925 N GLN B 52 -3.842 11.109 -9.900 1.00 0.00 N ATOM 1926 CA GLN B 52 -4.858 12.153 -9.872 1.00 0.00 C ATOM 1927 C GLN B 52 -6.007 11.762 -8.942 1.00 0.00 C ATOM 1928 O GLN B 52 -6.646 12.621 -8.334 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.368 12.430 -11.296 1.00 0.00 C ATOM 1930 CG GLN B 52 -6.876 12.288 -11.470 1.00 0.00 C ATOM 1931 CD GLN B 52 -7.344 12.699 -12.851 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -6.616 13.355 -13.598 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -8.566 12.314 -13.201 1.00 0.00 N ATOM 0 H GLN B 52 -3.761 10.624 -10.794 1.00 0.00 H new ATOM 0 HA GLN B 52 -4.412 13.068 -9.483 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -5.076 13.441 -11.582 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -4.870 11.748 -11.985 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -7.163 11.253 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -7.383 12.897 -10.722 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -9.135 11.772 -12.551 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -8.935 12.561 -14.119 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.261 10.462 -8.838 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.331 9.955 -7.985 1.00 0.00 C ATOM 1944 C TRP B 53 -7.130 10.393 -6.537 1.00 0.00 C ATOM 1945 O TRP B 53 -8.093 10.675 -5.824 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.396 8.428 -8.062 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.913 7.918 -9.371 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -7.686 8.453 -10.607 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.748 6.772 -9.577 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -8.327 7.708 -11.568 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.985 6.672 -10.962 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.315 5.821 -8.726 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -9.767 5.659 -11.511 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.092 4.815 -9.273 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -10.310 4.741 -10.654 1.00 0.00 C ATOM 0 H TRP B 53 -5.740 9.739 -9.334 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.272 10.371 -8.344 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.400 8.021 -7.890 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -8.034 8.058 -7.259 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -7.090 9.333 -10.801 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -8.314 7.897 -12.570 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.150 5.870 -7.660 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -9.939 5.600 -12.576 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.537 4.075 -8.624 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.919 3.943 -11.051 1.00 0.00 H new ATOM 1966 N PHE B 54 -5.873 10.445 -6.110 1.00 0.00 N ATOM 1967 CA PHE B 54 -5.545 10.845 -4.745 1.00 0.00 C ATOM 1968 C PHE B 54 -5.240 12.342 -4.659 1.00 0.00 C ATOM 1969 O PHE B 54 -4.957 12.861 -3.579 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.349 10.043 -4.233 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.606 8.565 -4.153 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.211 8.013 -3.036 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -4.243 7.727 -5.197 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -5.449 6.654 -2.960 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -4.479 6.367 -5.127 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.083 5.831 -4.007 1.00 0.00 C ATOM 0 H PHE B 54 -5.065 10.216 -6.688 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.414 10.639 -4.121 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.496 10.220 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.073 10.409 -3.244 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -5.500 8.652 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -3.770 8.142 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -5.921 6.236 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -4.192 5.725 -5.947 1.00 0.00 H new ATOM 0 HZ PHE B 54 -5.269 4.769 -3.950 1.00 0.00 H new ATOM 1986 N THR B 55 -5.299 13.031 -5.795 1.00 0.00 N ATOM 1987 CA THR B 55 -5.028 14.461 -5.833 1.00 0.00 C ATOM 1988 C THR B 55 -6.215 15.253 -5.288 1.00 0.00 C ATOM 1989 O THR B 55 -6.044 16.328 -4.714 1.00 0.00 O ATOM 1990 CB THR B 55 -4.692 14.886 -7.264 1.00 0.00 C ATOM 1991 OG1 THR B 55 -3.294 15.045 -7.421 1.00 0.00 O ATOM 1992 CG2 THR B 55 -5.348 16.179 -7.695 1.00 0.00 C ATOM 0 H THR B 55 -5.532 12.621 -6.699 1.00 0.00 H new ATOM 0 HA THR B 55 -4.170 14.676 -5.196 1.00 0.00 H new ATOM 0 HB THR B 55 -5.081 14.084 -7.891 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.097 15.315 -8.342 1.00 0.00 H new ATOM 0 HG21 THR B 55 -5.059 16.409 -8.720 1.00 0.00 H new ATOM 0 HG22 THR B 55 -6.431 16.074 -7.638 1.00 0.00 H new ATOM 0 HG23 THR B 55 -5.027 16.987 -7.037 1.00 0.00 H new ATOM 2000 N GLU B 56 -7.417 14.714 -5.472 1.00 0.00 N ATOM 2001 CA GLU B 56 -8.629 15.371 -4.998 1.00 0.00 C ATOM 2002 C GLU B 56 -8.586 15.567 -3.486 1.00 0.00 C ATOM 2003 O GLU B 56 -8.164 14.679 -2.746 1.00 0.00 O ATOM 2004 CB GLU B 56 -9.863 14.551 -5.383 1.00 0.00 C ATOM 2005 CG GLU B 56 -10.044 14.394 -6.884 1.00 0.00 C ATOM 2006 CD GLU B 56 -11.318 13.655 -7.242 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -11.348 12.416 -7.092 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -12.286 14.316 -7.672 1.00 0.00 O ATOM 0 H GLU B 56 -7.577 13.825 -5.946 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.690 16.351 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -9.789 13.563 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.750 15.027 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -10.056 15.379 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.189 13.858 -7.295 1.00 0.00 H new ATOM 2015 N ASP B 57 -9.028 16.736 -3.034 1.00 0.00 N ATOM 2016 CA ASP B 57 -9.041 17.049 -1.610 1.00 0.00 C ATOM 2017 C ASP B 57 -9.866 18.305 -1.335 1.00 0.00 C ATOM 2018 O ASP B 57 -9.315 19.376 -1.076 1.00 0.00 O ATOM 2019 CB ASP B 57 -7.613 17.239 -1.095 1.00 0.00 C ATOM 2020 CG ASP B 57 -6.997 15.942 -0.606 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -7.330 15.515 0.519 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -6.185 15.354 -1.350 1.00 0.00 O ATOM 0 H ASP B 57 -9.382 17.482 -3.633 1.00 0.00 H new ATOM 0 HA ASP B 57 -9.501 16.212 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -6.995 17.654 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -7.616 17.965 -0.282 1.00 0.00 H new ATOM 2027 N PRO B 58 -11.204 18.189 -1.389 1.00 0.00 N ATOM 2028 CA PRO B 58 -12.105 19.322 -1.146 1.00 0.00 C ATOM 2029 C PRO B 58 -12.118 19.745 0.319 1.00 0.00 C ATOM 2030 O PRO B 58 -11.123 19.473 1.023 1.00 0.00 O ATOM 2031 CB PRO B 58 -13.474 18.781 -1.559 1.00 0.00 C ATOM 2032 CG PRO B 58 -13.370 17.306 -1.376 1.00 0.00 C ATOM 2033 CD PRO B 58 -11.943 16.949 -1.691 1.00 0.00 C ATOM 0 HA PRO B 58 -11.801 20.212 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -14.268 19.201 -0.942 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -13.705 19.036 -2.593 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -13.628 17.020 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -14.059 16.781 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -11.594 16.115 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -11.824 16.654 -2.734 1.00 0.00 H new TER 2041 PRO B 58