USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 17 LYS NZ :NH3+ -123:sc= 0.686 (180deg=-1.7!) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -2.29 K(o=-1.8,f=0.31) USER MOD Set 1.3: A 95 CYS SG : rot -46:sc= -0.243 USER MOD Set 2.1: A 31 TYR OH : rot -22:sc= 1.04 USER MOD Set 2.2: A 38 SER OG : rot 98:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.196 (180deg=-0.765) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00967 (180deg=-0.161) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0855 X(o=-0.086,f=0) USER MOD Single : A 24 MET CE :methyl -169:sc= -1.76 (180deg=-2.06) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -121:sc= -0.971 (180deg=-3.95!) USER MOD Single : A 29 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.13) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.07) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -29:sc= 0.0395 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.05) USER MOD Single : A 65 ASN : amide:sc= -0.104 K(o=-0.1,f=-12!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 150:sc= 0.446 USER MOD Single : A 76 GLN : amide:sc= 0.475 K(o=0.47,f=-1.8!) USER MOD Single : A 77 CYS SG : rot 11:sc= -0.773 USER MOD Single : A 83 THR OG1 : rot -75:sc= -0.203 USER MOD Single : A 86 SER OG : rot 84:sc= 0.459 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc=-0.00474 (180deg=-0.156) USER MOD Single : A 99 HIS : no HD1:sc=-0.000664 X(o=-0.00066,f=-0.00066) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HE2:sc= 0.381 K(o=0.38,f=-1.6) USER MOD Single : A 102 HIS : no HE2:sc= 0.443 K(o=0.44,f=-3.3!) USER MOD Single : A 103 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.051) USER MOD Single : A 104 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.108 -2.140 3.173 1.00 52.12 N ATOM 2 CA MET A 1 -3.860 -1.887 2.411 1.00 15.25 C ATOM 3 C MET A 1 -2.954 -3.126 2.404 1.00 13.34 C ATOM 4 O MET A 1 -2.263 -3.403 3.384 1.00 41.21 O ATOM 5 CB MET A 1 -3.103 -0.688 3.006 1.00 32.51 C ATOM 6 CG MET A 1 -3.877 0.624 2.952 1.00 25.32 C ATOM 7 SD MET A 1 -2.957 2.004 3.664 1.00 44.33 S ATOM 8 CE MET A 1 -2.717 1.429 5.346 1.00 43.53 C ATOM 0 H1 MET A 1 -5.785 -1.371 2.995 1.00 52.12 H new ATOM 0 H2 MET A 1 -5.523 -3.044 2.870 1.00 52.12 H new ATOM 0 H3 MET A 1 -4.892 -2.182 4.189 1.00 52.12 H new ATOM 0 HA MET A 1 -4.138 -1.660 1.382 1.00 15.25 H new ATOM 0 HB2 MET A 1 -2.853 -0.908 4.044 1.00 32.51 H new ATOM 0 HB3 MET A 1 -2.161 -0.564 2.471 1.00 32.51 H new ATOM 0 HG2 MET A 1 -4.124 0.853 1.915 1.00 25.32 H new ATOM 0 HG3 MET A 1 -4.820 0.507 3.486 1.00 25.32 H new ATOM 0 HE1 MET A 1 -2.512 2.280 5.996 1.00 43.53 H new ATOM 0 HE2 MET A 1 -3.618 0.920 5.688 1.00 43.53 H new ATOM 0 HE3 MET A 1 -1.875 0.737 5.377 1.00 43.53 H new ATOM 20 N ALA A 2 -2.976 -3.882 1.306 1.00 53.24 N ATOM 21 CA ALA A 2 -2.111 -5.058 1.162 1.00 74.43 C ATOM 22 C ALA A 2 -0.638 -4.648 1.013 1.00 2.30 C ATOM 23 O ALA A 2 -0.194 -4.253 -0.067 1.00 72.53 O ATOM 24 CB ALA A 2 -2.558 -5.901 -0.027 1.00 21.45 C ATOM 0 H ALA A 2 -3.581 -3.704 0.504 1.00 53.24 H new ATOM 0 HA ALA A 2 -2.199 -5.658 2.068 1.00 74.43 H new ATOM 0 HB1 ALA A 2 -1.907 -6.770 -0.122 1.00 21.45 H new ATOM 0 HB2 ALA A 2 -3.585 -6.232 0.127 1.00 21.45 H new ATOM 0 HB3 ALA A 2 -2.502 -5.305 -0.938 1.00 21.45 H new ATOM 30 N LYS A 3 0.108 -4.721 2.113 1.00 52.23 N ATOM 31 CA LYS A 3 1.514 -4.291 2.135 1.00 14.34 C ATOM 32 C LYS A 3 2.387 -5.261 2.944 1.00 25.20 C ATOM 33 O LYS A 3 1.881 -6.142 3.640 1.00 63.15 O ATOM 34 CB LYS A 3 1.632 -2.885 2.749 1.00 22.41 C ATOM 35 CG LYS A 3 0.879 -1.793 1.992 1.00 64.24 C ATOM 36 CD LYS A 3 1.048 -0.428 2.655 1.00 54.31 C ATOM 37 CE LYS A 3 2.511 0.004 2.704 1.00 42.11 C ATOM 38 NZ LYS A 3 2.684 1.300 3.412 1.00 70.13 N ATOM 0 H LYS A 3 -0.235 -5.074 3.006 1.00 52.23 H new ATOM 0 HA LYS A 3 1.866 -4.279 1.103 1.00 14.34 H new ATOM 0 HB2 LYS A 3 1.262 -2.919 3.774 1.00 22.41 H new ATOM 0 HB3 LYS A 3 2.686 -2.613 2.799 1.00 22.41 H new ATOM 0 HG2 LYS A 3 1.241 -1.746 0.965 1.00 64.24 H new ATOM 0 HG3 LYS A 3 -0.180 -2.046 1.945 1.00 64.24 H new ATOM 0 HD2 LYS A 3 0.468 0.315 2.108 1.00 54.31 H new ATOM 0 HD3 LYS A 3 0.646 -0.464 3.668 1.00 54.31 H new ATOM 0 HE2 LYS A 3 3.100 -0.765 3.205 1.00 42.11 H new ATOM 0 HE3 LYS A 3 2.898 0.091 1.689 1.00 42.11 H new ATOM 0 HZ1 LYS A 3 3.692 1.558 3.423 1.00 70.13 H new ATOM 0 HZ2 LYS A 3 2.143 2.039 2.920 1.00 70.13 H new ATOM 0 HZ3 LYS A 3 2.339 1.211 4.389 1.00 70.13 H new ATOM 52 N ALA A 4 3.703 -5.089 2.850 1.00 32.12 N ATOM 53 CA ALA A 4 4.646 -5.848 3.676 1.00 54.40 C ATOM 54 C ALA A 4 4.753 -5.215 5.071 1.00 62.33 C ATOM 55 O ALA A 4 5.774 -4.623 5.428 1.00 61.11 O ATOM 56 CB ALA A 4 6.016 -5.919 3.000 1.00 64.13 C ATOM 0 H ALA A 4 4.144 -4.430 2.209 1.00 32.12 H new ATOM 0 HA ALA A 4 4.275 -6.867 3.788 1.00 54.40 H new ATOM 0 HB1 ALA A 4 6.703 -6.486 3.628 1.00 64.13 H new ATOM 0 HB2 ALA A 4 5.919 -6.411 2.032 1.00 64.13 H new ATOM 0 HB3 ALA A 4 6.404 -4.910 2.857 1.00 64.13 H new ATOM 62 N GLN A 5 3.672 -5.322 5.841 1.00 72.04 N ATOM 63 CA GLN A 5 3.563 -4.645 7.140 1.00 33.04 C ATOM 64 C GLN A 5 4.233 -5.438 8.274 1.00 33.11 C ATOM 65 O GLN A 5 4.230 -6.672 8.271 1.00 41.03 O ATOM 66 CB GLN A 5 2.085 -4.421 7.485 1.00 42.11 C ATOM 67 CG GLN A 5 1.337 -3.563 6.473 1.00 41.25 C ATOM 68 CD GLN A 5 -0.138 -3.426 6.806 1.00 33.11 C ATOM 69 OE1 GLN A 5 -0.963 -4.225 6.372 1.00 60.31 O ATOM 70 NE2 GLN A 5 -0.483 -2.417 7.582 1.00 12.13 N ATOM 0 H GLN A 5 2.852 -5.874 5.589 1.00 72.04 H new ATOM 0 HA GLN A 5 4.083 -3.691 7.050 1.00 33.04 H new ATOM 0 HB2 GLN A 5 1.590 -5.389 7.562 1.00 42.11 H new ATOM 0 HB3 GLN A 5 2.019 -3.950 8.466 1.00 42.11 H new ATOM 0 HG2 GLN A 5 1.791 -2.573 6.434 1.00 41.25 H new ATOM 0 HG3 GLN A 5 1.443 -4.001 5.481 1.00 41.25 H new ATOM 0 HE21 GLN A 5 0.228 -1.771 7.925 1.00 12.13 H new ATOM 0 HE22 GLN A 5 -1.461 -2.282 7.839 1.00 12.13 H new ATOM 79 N PRO A 6 4.825 -4.733 9.261 1.00 72.50 N ATOM 80 CA PRO A 6 5.352 -5.360 10.480 1.00 32.44 C ATOM 81 C PRO A 6 4.221 -5.811 11.417 1.00 51.25 C ATOM 82 O PRO A 6 3.282 -5.055 11.682 1.00 13.20 O ATOM 83 CB PRO A 6 6.195 -4.246 11.141 1.00 15.35 C ATOM 84 CG PRO A 6 6.270 -3.143 10.132 1.00 13.13 C ATOM 85 CD PRO A 6 5.046 -3.280 9.271 1.00 60.21 C ATOM 0 HA PRO A 6 5.930 -6.258 10.262 1.00 32.44 H new ATOM 0 HB2 PRO A 6 5.732 -3.901 12.065 1.00 15.35 H new ATOM 0 HB3 PRO A 6 7.190 -4.609 11.399 1.00 15.35 H new ATOM 0 HG2 PRO A 6 6.295 -2.169 10.621 1.00 13.13 H new ATOM 0 HG3 PRO A 6 7.178 -3.223 9.534 1.00 13.13 H new ATOM 0 HD2 PRO A 6 4.194 -2.743 9.688 1.00 60.21 H new ATOM 0 HD3 PRO A 6 5.210 -2.888 8.267 1.00 60.21 H new ATOM 93 N ILE A 7 4.315 -7.036 11.925 1.00 43.40 N ATOM 94 CA ILE A 7 3.266 -7.596 12.783 1.00 72.10 C ATOM 95 C ILE A 7 3.253 -6.904 14.158 1.00 2.43 C ATOM 96 O ILE A 7 3.983 -7.291 15.071 1.00 52.12 O ATOM 97 CB ILE A 7 3.418 -9.140 12.963 1.00 3.22 C ATOM 98 CG1 ILE A 7 3.223 -9.884 11.622 1.00 64.41 C ATOM 99 CG2 ILE A 7 2.430 -9.670 14.005 1.00 32.21 C ATOM 100 CD1 ILE A 7 4.300 -9.620 10.590 1.00 32.04 C ATOM 0 H ILE A 7 5.103 -7.662 11.760 1.00 43.40 H new ATOM 0 HA ILE A 7 2.316 -7.410 12.283 1.00 72.10 H new ATOM 0 HB ILE A 7 4.432 -9.328 13.315 1.00 3.22 H new ATOM 0 HG12 ILE A 7 3.182 -10.955 11.819 1.00 64.41 H new ATOM 0 HG13 ILE A 7 2.258 -9.600 11.201 1.00 64.41 H new ATOM 0 HG21 ILE A 7 2.556 -10.747 14.111 1.00 32.21 H new ATOM 0 HG22 ILE A 7 2.618 -9.186 14.964 1.00 32.21 H new ATOM 0 HG23 ILE A 7 1.411 -9.454 13.683 1.00 32.21 H new ATOM 0 HD11 ILE A 7 4.081 -10.183 9.683 1.00 32.04 H new ATOM 0 HD12 ILE A 7 4.329 -8.555 10.358 1.00 32.04 H new ATOM 0 HD13 ILE A 7 5.267 -9.931 10.985 1.00 32.04 H new ATOM 112 N GLU A 8 2.452 -5.849 14.276 1.00 51.45 N ATOM 113 CA GLU A 8 2.319 -5.104 15.535 1.00 44.12 C ATOM 114 C GLU A 8 1.099 -5.595 16.334 1.00 11.05 C ATOM 115 O GLU A 8 -0.044 -5.429 15.907 1.00 0.34 O ATOM 116 CB GLU A 8 2.214 -3.596 15.232 1.00 55.05 C ATOM 117 CG GLU A 8 2.196 -2.679 16.461 1.00 34.22 C ATOM 118 CD GLU A 8 0.839 -2.614 17.151 1.00 62.21 C ATOM 119 OE1 GLU A 8 -0.117 -2.090 16.540 1.00 14.13 O ATOM 120 OE2 GLU A 8 0.715 -3.089 18.302 1.00 23.43 O ATOM 0 H GLU A 8 1.880 -5.485 13.514 1.00 51.45 H new ATOM 0 HA GLU A 8 3.203 -5.278 16.148 1.00 44.12 H new ATOM 0 HB2 GLU A 8 3.054 -3.310 14.599 1.00 55.05 H new ATOM 0 HB3 GLU A 8 1.306 -3.421 14.655 1.00 55.05 H new ATOM 0 HG2 GLU A 8 2.942 -3.028 17.176 1.00 34.22 H new ATOM 0 HG3 GLU A 8 2.490 -1.674 16.159 1.00 34.22 H new ATOM 127 N ILE A 9 1.352 -6.209 17.489 1.00 11.45 N ATOM 128 CA ILE A 9 0.278 -6.720 18.353 1.00 63.32 C ATOM 129 C ILE A 9 0.451 -6.244 19.808 1.00 14.22 C ATOM 130 O ILE A 9 1.476 -6.512 20.438 1.00 23.20 O ATOM 131 CB ILE A 9 0.232 -8.273 18.332 1.00 3.41 C ATOM 132 CG1 ILE A 9 0.010 -8.794 16.899 1.00 5.34 C ATOM 133 CG2 ILE A 9 -0.857 -8.799 19.270 1.00 61.43 C ATOM 134 CD1 ILE A 9 -0.040 -10.305 16.792 1.00 3.30 C ATOM 0 H ILE A 9 2.292 -6.367 17.852 1.00 11.45 H new ATOM 0 HA ILE A 9 -0.658 -6.325 17.958 1.00 63.32 H new ATOM 0 HB ILE A 9 1.194 -8.643 18.686 1.00 3.41 H new ATOM 0 HG12 ILE A 9 -0.923 -8.382 16.514 1.00 5.34 H new ATOM 0 HG13 ILE A 9 0.811 -8.421 16.260 1.00 5.34 H new ATOM 0 HG21 ILE A 9 -0.870 -9.888 19.238 1.00 61.43 H new ATOM 0 HG22 ILE A 9 -0.651 -8.468 20.288 1.00 61.43 H new ATOM 0 HG23 ILE A 9 -1.827 -8.415 18.953 1.00 61.43 H new ATOM 0 HD11 ILE A 9 -0.199 -10.591 15.752 1.00 3.30 H new ATOM 0 HD12 ILE A 9 0.902 -10.726 17.144 1.00 3.30 H new ATOM 0 HD13 ILE A 9 -0.859 -10.686 17.402 1.00 3.30 H new ATOM 146 N ALA A 10 -0.549 -5.521 20.323 1.00 52.12 N ATOM 147 CA ALA A 10 -0.572 -5.080 21.730 1.00 54.22 C ATOM 148 C ALA A 10 0.671 -4.256 22.119 1.00 30.32 C ATOM 149 O ALA A 10 1.102 -4.271 23.276 1.00 15.33 O ATOM 150 CB ALA A 10 -0.723 -6.290 22.651 1.00 12.24 C ATOM 0 H ALA A 10 -1.362 -5.224 19.784 1.00 52.12 H new ATOM 0 HA ALA A 10 -1.431 -4.419 21.848 1.00 54.22 H new ATOM 0 HB1 ALA A 10 -0.739 -5.957 23.689 1.00 12.24 H new ATOM 0 HB2 ALA A 10 -1.654 -6.808 22.421 1.00 12.24 H new ATOM 0 HB3 ALA A 10 0.117 -6.969 22.501 1.00 12.24 H new ATOM 156 N GLY A 11 1.226 -3.518 21.159 1.00 15.44 N ATOM 157 CA GLY A 11 2.419 -2.716 21.417 1.00 75.03 C ATOM 158 C GLY A 11 3.717 -3.496 21.227 1.00 71.51 C ATOM 159 O GLY A 11 4.730 -3.199 21.861 1.00 20.25 O ATOM 0 H GLY A 11 0.872 -3.459 20.204 1.00 15.44 H new ATOM 0 HA2 GLY A 11 2.420 -1.853 20.752 1.00 75.03 H new ATOM 0 HA3 GLY A 11 2.378 -2.333 22.437 1.00 75.03 H new ATOM 163 N HIS A 12 3.680 -4.515 20.370 1.00 62.33 N ATOM 164 CA HIS A 12 4.874 -5.308 20.045 1.00 55.43 C ATOM 165 C HIS A 12 4.998 -5.487 18.525 1.00 72.43 C ATOM 166 O HIS A 12 4.167 -6.146 17.903 1.00 21.41 O ATOM 167 CB HIS A 12 4.807 -6.681 20.725 1.00 63.10 C ATOM 168 CG HIS A 12 4.627 -6.614 22.211 1.00 60.22 C ATOM 169 ND1 HIS A 12 5.680 -6.590 23.101 1.00 24.13 N ATOM 170 CD2 HIS A 12 3.503 -6.574 22.966 1.00 51.43 C ATOM 171 CE1 HIS A 12 5.213 -6.539 24.332 1.00 71.44 C ATOM 172 NE2 HIS A 12 3.898 -6.528 24.279 1.00 35.45 N ATOM 0 H HIS A 12 2.835 -4.815 19.884 1.00 62.33 H new ATOM 0 HA HIS A 12 5.750 -4.774 20.413 1.00 55.43 H new ATOM 0 HB2 HIS A 12 3.983 -7.249 20.294 1.00 63.10 H new ATOM 0 HB3 HIS A 12 5.722 -7.230 20.504 1.00 63.10 H new ATOM 0 HD2 HIS A 12 2.486 -6.578 22.602 1.00 51.43 H new ATOM 0 HE1 HIS A 12 5.809 -6.511 25.232 1.00 71.44 H new ATOM 0 HE2 HIS A 12 3.273 -6.491 25.084 1.00 35.45 H new ATOM 181 N GLU A 13 6.041 -4.904 17.937 1.00 4.11 N ATOM 182 CA GLU A 13 6.229 -4.930 16.476 1.00 1.33 C ATOM 183 C GLU A 13 7.201 -6.046 16.042 1.00 3.44 C ATOM 184 O GLU A 13 8.341 -6.118 16.507 1.00 45.31 O ATOM 185 CB GLU A 13 6.715 -3.556 15.958 1.00 33.12 C ATOM 186 CG GLU A 13 8.071 -3.089 16.503 1.00 50.40 C ATOM 187 CD GLU A 13 8.055 -2.775 17.994 1.00 14.22 C ATOM 188 OE1 GLU A 13 7.493 -1.734 18.385 1.00 45.43 O ATOM 189 OE2 GLU A 13 8.592 -3.584 18.784 1.00 4.45 O ATOM 0 H GLU A 13 6.772 -4.406 18.444 1.00 4.11 H new ATOM 0 HA GLU A 13 5.258 -5.147 16.030 1.00 1.33 H new ATOM 0 HB2 GLU A 13 6.774 -3.597 14.870 1.00 33.12 H new ATOM 0 HB3 GLU A 13 5.964 -2.806 16.208 1.00 33.12 H new ATOM 0 HG2 GLU A 13 8.816 -3.862 16.311 1.00 50.40 H new ATOM 0 HG3 GLU A 13 8.386 -2.200 15.957 1.00 50.40 H new ATOM 196 N PHE A 14 6.738 -6.918 15.146 1.00 23.23 N ATOM 197 CA PHE A 14 7.545 -8.044 14.652 1.00 74.45 C ATOM 198 C PHE A 14 7.830 -7.922 13.148 1.00 10.42 C ATOM 199 O PHE A 14 7.022 -7.379 12.391 1.00 44.41 O ATOM 200 CB PHE A 14 6.825 -9.367 14.947 1.00 2.11 C ATOM 201 CG PHE A 14 6.620 -9.608 16.420 1.00 33.41 C ATOM 202 CD1 PHE A 14 7.611 -10.207 17.181 1.00 61.34 C ATOM 203 CD2 PHE A 14 5.444 -9.222 17.047 1.00 21.31 C ATOM 204 CE1 PHE A 14 7.436 -10.413 18.534 1.00 63.23 C ATOM 205 CE2 PHE A 14 5.262 -9.429 18.400 1.00 2.42 C ATOM 206 CZ PHE A 14 6.260 -10.025 19.145 1.00 43.33 C ATOM 0 H PHE A 14 5.802 -6.869 14.743 1.00 23.23 H new ATOM 0 HA PHE A 14 8.503 -8.024 15.172 1.00 74.45 H new ATOM 0 HB2 PHE A 14 5.857 -9.367 14.446 1.00 2.11 H new ATOM 0 HB3 PHE A 14 7.402 -10.190 14.526 1.00 2.11 H new ATOM 0 HD1 PHE A 14 8.532 -10.516 16.709 1.00 61.34 H new ATOM 0 HD2 PHE A 14 4.661 -8.754 16.469 1.00 21.31 H new ATOM 0 HE1 PHE A 14 8.219 -10.878 19.115 1.00 63.23 H new ATOM 0 HE2 PHE A 14 4.341 -9.125 18.875 1.00 2.42 H new ATOM 0 HZ PHE A 14 6.121 -10.187 20.204 1.00 43.33 H new ATOM 216 N ALA A 15 8.976 -8.448 12.721 1.00 11.44 N ATOM 217 CA ALA A 15 9.417 -8.330 11.323 1.00 24.25 C ATOM 218 C ALA A 15 8.749 -9.365 10.401 1.00 30.53 C ATOM 219 O ALA A 15 8.624 -9.146 9.195 1.00 20.11 O ATOM 220 CB ALA A 15 10.936 -8.459 11.242 1.00 75.52 C ATOM 0 H ALA A 15 9.621 -8.962 13.321 1.00 11.44 H new ATOM 0 HA ALA A 15 9.110 -7.345 10.972 1.00 24.25 H new ATOM 0 HB1 ALA A 15 11.254 -8.370 10.203 1.00 75.52 H new ATOM 0 HB2 ALA A 15 11.400 -7.669 11.832 1.00 75.52 H new ATOM 0 HB3 ALA A 15 11.240 -9.430 11.633 1.00 75.52 H new ATOM 226 N ARG A 16 8.321 -10.486 10.973 1.00 72.33 N ATOM 227 CA ARG A 16 7.741 -11.589 10.193 1.00 10.23 C ATOM 228 C ARG A 16 6.621 -12.289 10.985 1.00 61.32 C ATOM 229 O ARG A 16 6.618 -12.268 12.214 1.00 33.50 O ATOM 230 CB ARG A 16 8.854 -12.594 9.839 1.00 51.15 C ATOM 231 CG ARG A 16 8.422 -13.738 8.925 1.00 22.31 C ATOM 232 CD ARG A 16 7.935 -13.235 7.570 1.00 13.13 C ATOM 233 NE ARG A 16 8.950 -12.449 6.870 1.00 21.12 N ATOM 234 CZ ARG A 16 8.709 -11.316 6.262 1.00 24.03 C ATOM 235 NH1 ARG A 16 7.522 -10.801 6.281 1.00 34.52 N ATOM 236 NH2 ARG A 16 9.659 -10.696 5.643 1.00 51.12 N ATOM 0 H ARG A 16 8.363 -10.661 11.977 1.00 72.33 H new ATOM 0 HA ARG A 16 7.304 -11.189 9.278 1.00 10.23 H new ATOM 0 HB2 ARG A 16 9.671 -12.055 9.360 1.00 51.15 H new ATOM 0 HB3 ARG A 16 9.249 -13.016 10.763 1.00 51.15 H new ATOM 0 HG2 ARG A 16 9.259 -14.421 8.779 1.00 22.31 H new ATOM 0 HG3 ARG A 16 7.627 -14.307 9.407 1.00 22.31 H new ATOM 0 HD2 ARG A 16 7.647 -14.085 6.952 1.00 13.13 H new ATOM 0 HD3 ARG A 16 7.042 -12.627 7.711 1.00 13.13 H new ATOM 0 HE ARG A 16 9.905 -12.806 6.855 1.00 21.12 H new ATOM 0 HH11 ARG A 16 6.767 -11.279 6.772 1.00 34.52 H new ATOM 0 HH12 ARG A 16 7.342 -9.917 5.805 1.00 34.52 H new ATOM 0 HH21 ARG A 16 10.600 -11.090 5.628 1.00 51.12 H new ATOM 0 HH22 ARG A 16 9.468 -9.813 5.170 1.00 51.12 H new ATOM 250 N LYS A 17 5.662 -12.903 10.288 1.00 71.35 N ATOM 251 CA LYS A 17 4.593 -13.654 10.965 1.00 74.33 C ATOM 252 C LYS A 17 5.178 -14.753 11.873 1.00 74.52 C ATOM 253 O LYS A 17 4.756 -14.919 13.020 1.00 50.11 O ATOM 254 CB LYS A 17 3.625 -14.265 9.938 1.00 12.10 C ATOM 255 CG LYS A 17 2.408 -14.949 10.563 1.00 13.22 C ATOM 256 CD LYS A 17 1.643 -14.007 11.494 1.00 32.01 C ATOM 257 CE LYS A 17 0.384 -14.657 12.067 1.00 65.33 C ATOM 258 NZ LYS A 17 -0.644 -14.901 11.017 1.00 13.00 N ATOM 0 H LYS A 17 5.600 -12.898 9.270 1.00 71.35 H new ATOM 0 HA LYS A 17 4.038 -12.956 11.592 1.00 74.33 H new ATOM 0 HB2 LYS A 17 3.282 -13.479 9.265 1.00 12.10 H new ATOM 0 HB3 LYS A 17 4.166 -14.991 9.331 1.00 12.10 H new ATOM 0 HG2 LYS A 17 1.743 -15.299 9.774 1.00 13.22 H new ATOM 0 HG3 LYS A 17 2.732 -15.828 11.121 1.00 13.22 H new ATOM 0 HD2 LYS A 17 2.295 -13.699 12.312 1.00 32.01 H new ATOM 0 HD3 LYS A 17 1.368 -13.105 10.948 1.00 32.01 H new ATOM 0 HE2 LYS A 17 0.648 -15.602 12.543 1.00 65.33 H new ATOM 0 HE3 LYS A 17 -0.035 -14.015 12.842 1.00 65.33 H new ATOM 0 HZ1 LYS A 17 -1.529 -14.423 11.280 1.00 13.00 H new ATOM 0 HZ2 LYS A 17 -0.306 -14.527 10.107 1.00 13.00 H new ATOM 0 HZ3 LYS A 17 -0.815 -15.923 10.929 1.00 13.00 H new ATOM 272 N ALA A 18 6.160 -15.489 11.352 1.00 60.03 N ATOM 273 CA ALA A 18 6.869 -16.510 12.133 1.00 54.05 C ATOM 274 C ALA A 18 7.652 -15.895 13.308 1.00 5.44 C ATOM 275 O ALA A 18 7.950 -16.575 14.289 1.00 4.05 O ATOM 276 CB ALA A 18 7.805 -17.304 11.230 1.00 50.13 C ATOM 0 H ALA A 18 6.485 -15.399 10.390 1.00 60.03 H new ATOM 0 HA ALA A 18 6.121 -17.181 12.556 1.00 54.05 H new ATOM 0 HB1 ALA A 18 8.326 -18.059 11.819 1.00 50.13 H new ATOM 0 HB2 ALA A 18 7.227 -17.792 10.445 1.00 50.13 H new ATOM 0 HB3 ALA A 18 8.533 -16.630 10.778 1.00 50.13 H new ATOM 282 N ASP A 19 7.989 -14.610 13.194 1.00 73.45 N ATOM 283 CA ASP A 19 8.682 -13.883 14.266 1.00 10.20 C ATOM 284 C ASP A 19 7.748 -13.683 15.475 1.00 51.33 C ATOM 285 O ASP A 19 8.149 -13.867 16.628 1.00 64.23 O ATOM 286 CB ASP A 19 9.187 -12.538 13.721 1.00 33.24 C ATOM 287 CG ASP A 19 10.058 -11.772 14.700 1.00 23.11 C ATOM 288 OD1 ASP A 19 10.902 -12.402 15.370 1.00 52.41 O ATOM 289 OD2 ASP A 19 9.925 -10.533 14.777 1.00 71.03 O ATOM 0 H ASP A 19 7.793 -14.046 12.367 1.00 73.45 H new ATOM 0 HA ASP A 19 9.537 -14.465 14.608 1.00 10.20 H new ATOM 0 HB2 ASP A 19 9.753 -12.716 12.807 1.00 33.24 H new ATOM 0 HB3 ASP A 19 8.330 -11.921 13.450 1.00 33.24 H new ATOM 294 N ALA A 20 6.496 -13.321 15.198 1.00 31.51 N ATOM 295 CA ALA A 20 5.471 -13.217 16.242 1.00 23.42 C ATOM 296 C ALA A 20 5.177 -14.590 16.866 1.00 33.23 C ATOM 297 O ALA A 20 5.029 -14.719 18.085 1.00 62.53 O ATOM 298 CB ALA A 20 4.198 -12.609 15.667 1.00 71.23 C ATOM 0 H ALA A 20 6.165 -13.094 14.260 1.00 31.51 H new ATOM 0 HA ALA A 20 5.849 -12.565 17.030 1.00 23.42 H new ATOM 0 HB1 ALA A 20 3.444 -12.536 16.450 1.00 71.23 H new ATOM 0 HB2 ALA A 20 4.414 -11.614 15.277 1.00 71.23 H new ATOM 0 HB3 ALA A 20 3.825 -13.241 14.861 1.00 71.23 H new ATOM 304 N LEU A 21 5.097 -15.617 16.015 1.00 54.43 N ATOM 305 CA LEU A 21 4.908 -16.998 16.476 1.00 24.01 C ATOM 306 C LEU A 21 6.073 -17.442 17.376 1.00 23.42 C ATOM 307 O LEU A 21 5.868 -18.087 18.407 1.00 71.50 O ATOM 308 CB LEU A 21 4.779 -17.955 15.278 1.00 72.13 C ATOM 309 CG LEU A 21 3.638 -17.636 14.293 1.00 0.21 C ATOM 310 CD1 LEU A 21 3.630 -18.626 13.129 1.00 64.12 C ATOM 311 CD2 LEU A 21 2.285 -17.626 15.002 1.00 70.54 C ATOM 0 H LEU A 21 5.160 -15.519 15.002 1.00 54.43 H new ATOM 0 HA LEU A 21 3.987 -17.032 17.058 1.00 24.01 H new ATOM 0 HB2 LEU A 21 5.721 -17.951 14.729 1.00 72.13 H new ATOM 0 HB3 LEU A 21 4.636 -18.967 15.657 1.00 72.13 H new ATOM 0 HG LEU A 21 3.815 -16.638 13.891 1.00 0.21 H new ATOM 0 HD11 LEU A 21 2.816 -18.380 12.448 1.00 64.12 H new ATOM 0 HD12 LEU A 21 4.579 -18.569 12.596 1.00 64.12 H new ATOM 0 HD13 LEU A 21 3.490 -19.637 13.512 1.00 64.12 H new ATOM 0 HD21 LEU A 21 1.499 -17.398 14.282 1.00 70.54 H new ATOM 0 HD22 LEU A 21 2.099 -18.604 15.445 1.00 70.54 H new ATOM 0 HD23 LEU A 21 2.290 -16.868 15.785 1.00 70.54 H new ATOM 323 N ALA A 22 7.294 -17.083 16.979 1.00 62.03 N ATOM 324 CA ALA A 22 8.491 -17.396 17.765 1.00 20.52 C ATOM 325 C ALA A 22 8.415 -16.784 19.171 1.00 65.01 C ATOM 326 O ALA A 22 8.687 -17.458 20.163 1.00 25.35 O ATOM 327 CB ALA A 22 9.737 -16.903 17.041 1.00 0.25 C ATOM 0 H ALA A 22 7.482 -16.574 16.115 1.00 62.03 H new ATOM 0 HA ALA A 22 8.547 -18.479 17.876 1.00 20.52 H new ATOM 0 HB1 ALA A 22 10.620 -17.141 17.634 1.00 0.25 H new ATOM 0 HB2 ALA A 22 9.810 -17.391 16.069 1.00 0.25 H new ATOM 0 HB3 ALA A 22 9.674 -15.824 16.901 1.00 0.25 H new ATOM 333 N PHE A 23 8.039 -15.504 19.245 1.00 21.43 N ATOM 334 CA PHE A 23 7.881 -14.805 20.528 1.00 13.54 C ATOM 335 C PHE A 23 6.902 -15.548 21.448 1.00 15.31 C ATOM 336 O PHE A 23 7.203 -15.806 22.617 1.00 60.22 O ATOM 337 CB PHE A 23 7.392 -13.369 20.292 1.00 44.15 C ATOM 338 CG PHE A 23 7.173 -12.575 21.558 1.00 70.23 C ATOM 339 CD1 PHE A 23 8.246 -12.013 22.234 1.00 13.32 C ATOM 340 CD2 PHE A 23 5.894 -12.386 22.066 1.00 24.32 C ATOM 341 CE1 PHE A 23 8.050 -11.284 23.390 1.00 73.43 C ATOM 342 CE2 PHE A 23 5.694 -11.657 23.223 1.00 60.34 C ATOM 343 CZ PHE A 23 6.772 -11.104 23.884 1.00 73.24 C ATOM 0 H PHE A 23 7.837 -14.927 18.429 1.00 21.43 H new ATOM 0 HA PHE A 23 8.854 -14.777 21.018 1.00 13.54 H new ATOM 0 HB2 PHE A 23 8.119 -12.847 19.670 1.00 44.15 H new ATOM 0 HB3 PHE A 23 6.458 -13.402 19.731 1.00 44.15 H new ATOM 0 HD1 PHE A 23 9.247 -12.147 21.851 1.00 13.32 H new ATOM 0 HD2 PHE A 23 5.046 -12.814 21.551 1.00 24.32 H new ATOM 0 HE1 PHE A 23 8.895 -10.855 23.908 1.00 73.43 H new ATOM 0 HE2 PHE A 23 4.695 -11.520 23.610 1.00 60.34 H new ATOM 0 HZ PHE A 23 6.617 -10.531 24.786 1.00 73.24 H new ATOM 353 N MET A 24 5.731 -15.892 20.914 1.00 62.03 N ATOM 354 CA MET A 24 4.737 -16.657 21.671 1.00 52.32 C ATOM 355 C MET A 24 5.292 -18.023 22.104 1.00 24.10 C ATOM 356 O MET A 24 5.021 -18.486 23.210 1.00 64.15 O ATOM 357 CB MET A 24 3.445 -16.823 20.857 1.00 50.22 C ATOM 358 CG MET A 24 2.648 -15.531 20.735 1.00 43.41 C ATOM 359 SD MET A 24 1.107 -15.726 19.818 1.00 51.03 S ATOM 360 CE MET A 24 1.722 -15.929 18.151 1.00 73.21 C ATOM 0 H MET A 24 5.446 -15.655 19.964 1.00 62.03 H new ATOM 0 HA MET A 24 4.502 -16.096 22.575 1.00 52.32 H new ATOM 0 HB2 MET A 24 3.695 -17.185 19.860 1.00 50.22 H new ATOM 0 HB3 MET A 24 2.822 -17.585 21.326 1.00 50.22 H new ATOM 0 HG2 MET A 24 2.423 -15.155 21.733 1.00 43.41 H new ATOM 0 HG3 MET A 24 3.263 -14.778 20.242 1.00 43.41 H new ATOM 0 HE1 MET A 24 0.892 -15.865 17.447 1.00 73.21 H new ATOM 0 HE2 MET A 24 2.446 -15.144 17.932 1.00 73.21 H new ATOM 0 HE3 MET A 24 2.203 -16.902 18.057 1.00 73.21 H new ATOM 370 N LYS A 25 6.081 -18.655 21.237 1.00 62.13 N ATOM 371 CA LYS A 25 6.738 -19.925 21.575 1.00 61.34 C ATOM 372 C LYS A 25 7.750 -19.742 22.724 1.00 73.23 C ATOM 373 O LYS A 25 7.868 -20.598 23.604 1.00 62.21 O ATOM 374 CB LYS A 25 7.441 -20.508 20.341 1.00 44.25 C ATOM 375 CG LYS A 25 8.051 -21.891 20.570 1.00 20.04 C ATOM 376 CD LYS A 25 8.762 -22.414 19.321 1.00 11.23 C ATOM 377 CE LYS A 25 9.323 -23.816 19.536 1.00 75.12 C ATOM 378 NZ LYS A 25 10.043 -24.321 18.339 1.00 15.35 N ATOM 0 H LYS A 25 6.283 -18.313 20.297 1.00 62.13 H new ATOM 0 HA LYS A 25 5.968 -20.621 21.908 1.00 61.34 H new ATOM 0 HB2 LYS A 25 6.724 -20.569 19.522 1.00 44.25 H new ATOM 0 HB3 LYS A 25 8.228 -19.823 20.026 1.00 44.25 H new ATOM 0 HG2 LYS A 25 8.759 -21.843 21.398 1.00 20.04 H new ATOM 0 HG3 LYS A 25 7.267 -22.590 20.861 1.00 20.04 H new ATOM 0 HD2 LYS A 25 8.065 -22.426 18.483 1.00 11.23 H new ATOM 0 HD3 LYS A 25 9.572 -21.735 19.052 1.00 11.23 H new ATOM 0 HE2 LYS A 25 10.001 -23.807 20.389 1.00 75.12 H new ATOM 0 HE3 LYS A 25 8.509 -24.498 19.783 1.00 75.12 H new ATOM 0 HZ1 LYS A 25 10.407 -25.276 18.530 1.00 15.35 H new ATOM 0 HZ2 LYS A 25 9.390 -24.355 17.530 1.00 15.35 H new ATOM 0 HZ3 LYS A 25 10.836 -23.686 18.118 1.00 15.35 H new ATOM 392 N VAL A 26 8.471 -18.613 22.710 1.00 32.34 N ATOM 393 CA VAL A 26 9.428 -18.282 23.776 1.00 70.34 C ATOM 394 C VAL A 26 8.739 -18.238 25.146 1.00 62.32 C ATOM 395 O VAL A 26 9.094 -18.995 26.052 1.00 55.21 O ATOM 396 CB VAL A 26 10.139 -16.924 23.518 1.00 4.20 C ATOM 397 CG1 VAL A 26 11.028 -16.536 24.704 1.00 65.12 C ATOM 398 CG2 VAL A 26 10.956 -16.979 22.228 1.00 1.44 C ATOM 0 H VAL A 26 8.410 -17.912 21.971 1.00 32.34 H new ATOM 0 HA VAL A 26 10.178 -19.073 23.774 1.00 70.34 H new ATOM 0 HB VAL A 26 9.372 -16.158 23.406 1.00 4.20 H new ATOM 0 HG11 VAL A 26 11.514 -15.582 24.498 1.00 65.12 H new ATOM 0 HG12 VAL A 26 10.417 -16.445 25.602 1.00 65.12 H new ATOM 0 HG13 VAL A 26 11.786 -17.304 24.857 1.00 65.12 H new ATOM 0 HG21 VAL A 26 11.445 -16.019 22.066 1.00 1.44 H new ATOM 0 HG22 VAL A 26 11.710 -17.762 22.308 1.00 1.44 H new ATOM 0 HG23 VAL A 26 10.296 -17.196 21.388 1.00 1.44 H new ATOM 408 N MET A 27 7.746 -17.360 25.296 1.00 63.24 N ATOM 409 CA MET A 27 7.019 -17.256 26.566 1.00 5.14 C ATOM 410 C MET A 27 6.261 -18.558 26.883 1.00 3.42 C ATOM 411 O MET A 27 6.107 -18.923 28.045 1.00 65.21 O ATOM 412 CB MET A 27 6.067 -16.050 26.574 1.00 50.22 C ATOM 413 CG MET A 27 4.946 -16.109 25.545 1.00 13.24 C ATOM 414 SD MET A 27 3.880 -14.653 25.623 1.00 62.31 S ATOM 415 CE MET A 27 2.627 -15.056 24.413 1.00 13.22 C ATOM 0 H MET A 27 7.429 -16.720 24.568 1.00 63.24 H new ATOM 0 HA MET A 27 7.758 -17.098 27.351 1.00 5.14 H new ATOM 0 HB2 MET A 27 5.625 -15.962 27.566 1.00 50.22 H new ATOM 0 HB3 MET A 27 6.650 -15.145 26.403 1.00 50.22 H new ATOM 0 HG2 MET A 27 5.375 -16.192 24.546 1.00 13.24 H new ATOM 0 HG3 MET A 27 4.348 -17.005 25.711 1.00 13.24 H new ATOM 0 HE1 MET A 27 2.612 -14.291 23.636 1.00 13.22 H new ATOM 0 HE2 MET A 27 2.852 -16.024 23.965 1.00 13.22 H new ATOM 0 HE3 MET A 27 1.652 -15.099 24.899 1.00 13.22 H new ATOM 425 N LEU A 28 5.817 -19.267 25.845 1.00 61.54 N ATOM 426 CA LEU A 28 5.192 -20.587 26.017 1.00 22.32 C ATOM 427 C LEU A 28 6.145 -21.553 26.745 1.00 51.23 C ATOM 428 O LEU A 28 5.744 -22.275 27.654 1.00 72.41 O ATOM 429 CB LEU A 28 4.801 -21.169 24.649 1.00 0.11 C ATOM 430 CG LEU A 28 4.064 -22.519 24.680 1.00 31.11 C ATOM 431 CD1 LEU A 28 2.706 -22.386 25.368 1.00 42.34 C ATOM 432 CD2 LEU A 28 3.903 -23.074 23.267 1.00 53.33 C ATOM 0 H LEU A 28 5.876 -18.954 24.876 1.00 61.54 H new ATOM 0 HA LEU A 28 4.295 -20.464 26.624 1.00 22.32 H new ATOM 0 HB2 LEU A 28 4.170 -20.444 24.134 1.00 0.11 H new ATOM 0 HB3 LEU A 28 5.706 -21.284 24.053 1.00 0.11 H new ATOM 0 HG LEU A 28 4.665 -23.221 25.258 1.00 31.11 H new ATOM 0 HD11 LEU A 28 2.206 -23.354 25.376 1.00 42.34 H new ATOM 0 HD12 LEU A 28 2.849 -22.043 26.393 1.00 42.34 H new ATOM 0 HD13 LEU A 28 2.093 -21.666 24.826 1.00 42.34 H new ATOM 0 HD21 LEU A 28 3.380 -24.029 23.309 1.00 53.33 H new ATOM 0 HD22 LEU A 28 3.328 -22.371 22.663 1.00 53.33 H new ATOM 0 HD23 LEU A 28 4.886 -23.218 22.819 1.00 53.33 H new ATOM 444 N ASN A 29 7.415 -21.548 26.333 1.00 55.50 N ATOM 445 CA ASN A 29 8.448 -22.380 26.968 1.00 75.32 C ATOM 446 C ASN A 29 8.922 -21.772 28.301 1.00 62.43 C ATOM 447 O ASN A 29 9.571 -22.445 29.106 1.00 22.24 O ATOM 448 CB ASN A 29 9.643 -22.557 26.019 1.00 33.21 C ATOM 449 CG ASN A 29 9.331 -23.430 24.811 1.00 15.22 C ATOM 450 OD1 ASN A 29 10.207 -24.106 24.283 1.00 21.21 O ATOM 451 ND2 ASN A 29 8.091 -23.428 24.359 1.00 2.31 N ATOM 0 H ASN A 29 7.756 -20.976 25.560 1.00 55.50 H new ATOM 0 HA ASN A 29 8.007 -23.354 27.180 1.00 75.32 H new ATOM 0 HB2 ASN A 29 9.972 -21.577 25.674 1.00 33.21 H new ATOM 0 HB3 ASN A 29 10.474 -22.996 26.571 1.00 33.21 H new ATOM 0 HD21 ASN A 29 7.842 -23.999 23.551 1.00 2.31 H new ATOM 0 HD22 ASN A 29 7.382 -22.856 24.818 1.00 2.31 H new ATOM 458 N ARG A 30 8.622 -20.490 28.509 1.00 14.21 N ATOM 459 CA ARG A 30 8.943 -19.805 29.768 1.00 41.42 C ATOM 460 C ARG A 30 8.052 -20.334 30.902 1.00 14.23 C ATOM 461 O ARG A 30 8.524 -20.580 32.007 1.00 53.52 O ATOM 462 CB ARG A 30 8.777 -18.277 29.590 1.00 15.34 C ATOM 463 CG ARG A 30 9.267 -17.409 30.759 1.00 23.13 C ATOM 464 CD ARG A 30 8.283 -17.373 31.930 1.00 61.32 C ATOM 465 NE ARG A 30 8.650 -16.369 32.926 1.00 33.01 N ATOM 466 CZ ARG A 30 8.069 -16.228 34.085 1.00 55.24 C ATOM 467 NH1 ARG A 30 7.134 -17.039 34.467 1.00 21.34 N ATOM 468 NH2 ARG A 30 8.446 -15.275 34.874 1.00 1.31 N ATOM 0 H ARG A 30 8.155 -19.900 27.820 1.00 14.21 H new ATOM 0 HA ARG A 30 9.980 -20.007 30.036 1.00 41.42 H new ATOM 0 HB2 ARG A 30 9.312 -17.975 28.689 1.00 15.34 H new ATOM 0 HB3 ARG A 30 7.722 -18.063 29.421 1.00 15.34 H new ATOM 0 HG2 ARG A 30 10.227 -17.789 31.109 1.00 23.13 H new ATOM 0 HG3 ARG A 30 9.437 -16.393 30.403 1.00 23.13 H new ATOM 0 HD2 ARG A 30 7.282 -17.162 31.555 1.00 61.32 H new ATOM 0 HD3 ARG A 30 8.246 -18.355 32.402 1.00 61.32 H new ATOM 0 HE ARG A 30 9.415 -15.733 32.699 1.00 33.01 H new ATOM 0 HH11 ARG A 30 6.841 -17.803 33.858 1.00 21.34 H new ATOM 0 HH12 ARG A 30 6.691 -16.914 35.377 1.00 21.34 H new ATOM 0 HH21 ARG A 30 9.192 -14.641 34.588 1.00 1.31 H new ATOM 0 HH22 ARG A 30 7.997 -15.157 35.782 1.00 1.31 H new ATOM 482 N TYR A 31 6.764 -20.504 30.617 1.00 42.11 N ATOM 483 CA TYR A 31 5.824 -21.060 31.598 1.00 22.40 C ATOM 484 C TYR A 31 5.769 -22.595 31.503 1.00 11.35 C ATOM 485 O TYR A 31 6.114 -23.179 30.475 1.00 75.03 O ATOM 486 CB TYR A 31 4.417 -20.477 31.388 1.00 71.22 C ATOM 487 CG TYR A 31 4.334 -18.960 31.506 1.00 30.43 C ATOM 488 CD1 TYR A 31 4.593 -18.145 30.410 1.00 33.04 C ATOM 489 CD2 TYR A 31 3.989 -18.345 32.707 1.00 23.10 C ATOM 490 CE1 TYR A 31 4.519 -16.771 30.503 1.00 43.55 C ATOM 491 CE2 TYR A 31 3.912 -16.967 32.807 1.00 63.33 C ATOM 492 CZ TYR A 31 4.176 -16.186 31.699 1.00 51.43 C ATOM 493 OH TYR A 31 4.109 -14.815 31.790 1.00 32.21 O ATOM 0 H TYR A 31 6.344 -20.267 29.718 1.00 42.11 H new ATOM 0 HA TYR A 31 6.180 -20.786 32.591 1.00 22.40 H new ATOM 0 HB2 TYR A 31 4.060 -20.771 30.401 1.00 71.22 H new ATOM 0 HB3 TYR A 31 3.741 -20.922 32.118 1.00 71.22 H new ATOM 0 HD1 TYR A 31 4.858 -18.597 29.466 1.00 33.04 H new ATOM 0 HD2 TYR A 31 3.778 -18.953 33.574 1.00 23.10 H new ATOM 0 HE1 TYR A 31 4.730 -16.157 29.640 1.00 43.55 H new ATOM 0 HE2 TYR A 31 3.647 -16.505 33.746 1.00 63.33 H new ATOM 0 HH TYR A 31 4.650 -14.413 31.078 1.00 32.21 H new ATOM 503 N ARG A 32 5.336 -23.245 32.581 1.00 53.45 N ATOM 504 CA ARG A 32 5.222 -24.712 32.613 1.00 51.13 C ATOM 505 C ARG A 32 3.782 -25.163 32.324 1.00 12.34 C ATOM 506 O ARG A 32 2.848 -24.377 32.469 1.00 24.50 O ATOM 507 CB ARG A 32 5.694 -25.267 33.977 1.00 1.14 C ATOM 508 CG ARG A 32 7.184 -25.055 34.265 1.00 52.34 C ATOM 509 CD ARG A 32 7.517 -23.593 34.551 1.00 32.25 C ATOM 510 NE ARG A 32 8.955 -23.357 34.650 1.00 42.42 N ATOM 511 CZ ARG A 32 9.501 -22.172 34.631 1.00 14.35 C ATOM 512 NH1 ARG A 32 8.766 -21.111 34.558 1.00 11.34 N ATOM 513 NH2 ARG A 32 10.785 -22.049 34.684 1.00 74.21 N ATOM 0 H ARG A 32 5.057 -22.784 33.447 1.00 53.45 H new ATOM 0 HA ARG A 32 5.867 -25.113 31.831 1.00 51.13 H new ATOM 0 HB2 ARG A 32 5.113 -24.795 34.769 1.00 1.14 H new ATOM 0 HB3 ARG A 32 5.477 -26.334 34.016 1.00 1.14 H new ATOM 0 HG2 ARG A 32 7.477 -25.666 35.119 1.00 52.34 H new ATOM 0 HG3 ARG A 32 7.769 -25.398 33.412 1.00 52.34 H new ATOM 0 HD2 ARG A 32 7.103 -22.968 33.760 1.00 32.25 H new ATOM 0 HD3 ARG A 32 7.037 -23.289 35.481 1.00 32.25 H new ATOM 0 HE ARG A 32 9.569 -24.167 34.739 1.00 42.42 H new ATOM 0 HH11 ARG A 32 7.750 -21.196 34.515 1.00 11.34 H new ATOM 0 HH12 ARG A 32 9.202 -20.189 34.544 1.00 11.34 H new ATOM 0 HH21 ARG A 32 11.375 -22.879 34.741 1.00 74.21 H new ATOM 0 HH22 ARG A 32 11.210 -21.122 34.669 1.00 74.21 H new ATOM 527 N PRO A 33 3.587 -26.432 31.879 1.00 21.44 N ATOM 528 CA PRO A 33 2.243 -27.000 31.648 1.00 53.14 C ATOM 529 C PRO A 33 1.352 -26.937 32.896 1.00 14.11 C ATOM 530 O PRO A 33 1.214 -27.907 33.651 1.00 65.24 O ATOM 531 CB PRO A 33 2.518 -28.453 31.241 1.00 53.30 C ATOM 532 CG PRO A 33 3.922 -28.444 30.740 1.00 63.41 C ATOM 533 CD PRO A 33 4.650 -27.396 31.541 1.00 61.43 C ATOM 0 HA PRO A 33 1.696 -26.439 30.890 1.00 53.14 H new ATOM 0 HB2 PRO A 33 2.403 -29.130 32.087 1.00 53.30 H new ATOM 0 HB3 PRO A 33 1.824 -28.787 30.470 1.00 53.30 H new ATOM 0 HG2 PRO A 33 4.386 -29.422 30.866 1.00 63.41 H new ATOM 0 HG3 PRO A 33 3.954 -28.211 29.676 1.00 63.41 H new ATOM 0 HD2 PRO A 33 5.109 -27.819 32.435 1.00 61.43 H new ATOM 0 HD3 PRO A 33 5.448 -26.930 30.963 1.00 61.43 H new ATOM 541 N GLY A 34 0.799 -25.761 33.113 1.00 33.32 N ATOM 542 CA GLY A 34 -0.106 -25.518 34.234 1.00 74.00 C ATOM 543 C GLY A 34 -0.041 -24.082 34.756 1.00 41.45 C ATOM 544 O GLY A 34 -0.851 -23.677 35.595 1.00 63.33 O ATOM 0 H GLY A 34 0.959 -24.945 32.523 1.00 33.32 H new ATOM 0 HA2 GLY A 34 -1.127 -25.740 33.924 1.00 74.00 H new ATOM 0 HA3 GLY A 34 0.137 -26.205 35.045 1.00 74.00 H new ATOM 548 N ASP A 35 0.923 -23.311 34.258 1.00 14.05 N ATOM 549 CA ASP A 35 1.119 -21.925 34.687 1.00 55.11 C ATOM 550 C ASP A 35 0.168 -20.960 33.959 1.00 12.04 C ATOM 551 O ASP A 35 -0.075 -21.083 32.753 1.00 42.32 O ATOM 552 CB ASP A 35 2.575 -21.502 34.446 1.00 2.23 C ATOM 553 CG ASP A 35 3.577 -22.285 35.284 1.00 21.22 C ATOM 554 OD1 ASP A 35 3.192 -23.289 35.918 1.00 73.54 O ATOM 555 OD2 ASP A 35 4.765 -21.894 35.310 1.00 43.22 O ATOM 0 H ASP A 35 1.587 -23.625 33.550 1.00 14.05 H new ATOM 0 HA ASP A 35 0.893 -21.875 35.752 1.00 55.11 H new ATOM 0 HB2 ASP A 35 2.814 -21.633 33.391 1.00 2.23 H new ATOM 0 HB3 ASP A 35 2.679 -20.440 34.667 1.00 2.23 H new ATOM 560 N ILE A 36 -0.360 -19.990 34.700 1.00 43.21 N ATOM 561 CA ILE A 36 -1.259 -18.984 34.134 1.00 65.45 C ATOM 562 C ILE A 36 -0.467 -17.882 33.413 1.00 72.01 C ATOM 563 O ILE A 36 0.497 -17.338 33.956 1.00 10.31 O ATOM 564 CB ILE A 36 -2.143 -18.342 35.235 1.00 50.51 C ATOM 565 CG1 ILE A 36 -2.930 -19.425 35.995 1.00 40.20 C ATOM 566 CG2 ILE A 36 -3.095 -17.306 34.635 1.00 25.42 C ATOM 567 CD1 ILE A 36 -3.831 -20.265 35.115 1.00 42.31 C ATOM 0 H ILE A 36 -0.181 -19.878 35.698 1.00 43.21 H new ATOM 0 HA ILE A 36 -1.901 -19.492 33.415 1.00 65.45 H new ATOM 0 HB ILE A 36 -1.489 -17.831 35.941 1.00 50.51 H new ATOM 0 HG12 ILE A 36 -2.225 -20.081 36.506 1.00 40.20 H new ATOM 0 HG13 ILE A 36 -3.535 -18.946 36.765 1.00 40.20 H new ATOM 0 HG21 ILE A 36 -3.704 -16.870 35.427 1.00 25.42 H new ATOM 0 HG22 ILE A 36 -2.518 -16.521 34.147 1.00 25.42 H new ATOM 0 HG23 ILE A 36 -3.743 -17.788 33.903 1.00 25.42 H new ATOM 0 HD11 ILE A 36 -4.350 -21.004 35.726 1.00 42.31 H new ATOM 0 HD12 ILE A 36 -4.562 -19.622 34.624 1.00 42.31 H new ATOM 0 HD13 ILE A 36 -3.231 -20.774 34.361 1.00 42.31 H new ATOM 579 N VAL A 37 -0.878 -17.558 32.190 1.00 33.03 N ATOM 580 CA VAL A 37 -0.217 -16.512 31.405 1.00 10.04 C ATOM 581 C VAL A 37 -0.393 -15.132 32.067 1.00 72.32 C ATOM 582 O VAL A 37 -1.509 -14.731 32.400 1.00 65.44 O ATOM 583 CB VAL A 37 -0.767 -16.478 29.957 1.00 31.24 C ATOM 584 CG1 VAL A 37 -0.087 -15.389 29.134 1.00 21.43 C ATOM 585 CG2 VAL A 37 -0.603 -17.843 29.288 1.00 23.11 C ATOM 0 H VAL A 37 -1.665 -18.003 31.718 1.00 33.03 H new ATOM 0 HA VAL A 37 0.847 -16.748 31.369 1.00 10.04 H new ATOM 0 HB VAL A 37 -1.830 -16.243 30.007 1.00 31.24 H new ATOM 0 HG11 VAL A 37 -0.494 -15.390 28.123 1.00 21.43 H new ATOM 0 HG12 VAL A 37 -0.266 -14.418 29.596 1.00 21.43 H new ATOM 0 HG13 VAL A 37 0.985 -15.580 29.094 1.00 21.43 H new ATOM 0 HG21 VAL A 37 -0.995 -17.800 28.272 1.00 23.11 H new ATOM 0 HG22 VAL A 37 0.454 -18.109 29.258 1.00 23.11 H new ATOM 0 HG23 VAL A 37 -1.151 -18.595 29.856 1.00 23.11 H new ATOM 595 N SER A 38 0.720 -14.419 32.262 1.00 62.33 N ATOM 596 CA SER A 38 0.714 -13.127 32.973 1.00 54.34 C ATOM 597 C SER A 38 -0.108 -12.054 32.241 1.00 73.14 C ATOM 598 O SER A 38 -0.507 -12.239 31.095 1.00 24.35 O ATOM 599 CB SER A 38 2.150 -12.631 33.178 1.00 0.54 C ATOM 600 OG SER A 38 2.915 -13.573 33.916 1.00 52.10 O ATOM 0 H SER A 38 1.642 -14.712 31.938 1.00 62.33 H new ATOM 0 HA SER A 38 0.238 -13.297 33.939 1.00 54.34 H new ATOM 0 HB2 SER A 38 2.619 -12.455 32.210 1.00 0.54 H new ATOM 0 HB3 SER A 38 2.137 -11.676 33.704 1.00 0.54 H new ATOM 0 HG SER A 38 3.442 -14.122 33.299 1.00 52.10 H new ATOM 606 N THR A 39 -0.340 -10.925 32.917 1.00 10.31 N ATOM 607 CA THR A 39 -1.186 -9.841 32.383 1.00 63.14 C ATOM 608 C THR A 39 -0.740 -9.367 30.989 1.00 33.13 C ATOM 609 O THR A 39 -1.496 -9.467 30.023 1.00 51.03 O ATOM 610 CB THR A 39 -1.207 -8.625 33.345 1.00 41.13 C ATOM 611 OG1 THR A 39 -1.578 -9.054 34.666 1.00 61.12 O ATOM 612 CG2 THR A 39 -2.185 -7.554 32.865 1.00 25.31 C ATOM 0 H THR A 39 0.047 -10.733 33.841 1.00 10.31 H new ATOM 0 HA THR A 39 -2.187 -10.262 32.293 1.00 63.14 H new ATOM 0 HB THR A 39 -0.206 -8.193 33.363 1.00 41.13 H new ATOM 0 HG1 THR A 39 -1.588 -8.282 35.270 1.00 61.12 H new ATOM 0 HG21 THR A 39 -2.176 -6.715 33.561 1.00 25.31 H new ATOM 0 HG22 THR A 39 -1.888 -7.207 31.875 1.00 25.31 H new ATOM 0 HG23 THR A 39 -3.190 -7.974 32.816 1.00 25.31 H new ATOM 620 N VAL A 40 0.486 -8.854 30.890 1.00 50.13 N ATOM 621 CA VAL A 40 1.017 -8.348 29.614 1.00 71.13 C ATOM 622 C VAL A 40 1.035 -9.446 28.534 1.00 64.13 C ATOM 623 O VAL A 40 0.561 -9.243 27.412 1.00 13.55 O ATOM 624 CB VAL A 40 2.450 -7.780 29.793 1.00 55.35 C ATOM 625 CG1 VAL A 40 2.993 -7.224 28.475 1.00 72.40 C ATOM 626 CG2 VAL A 40 2.475 -6.709 30.884 1.00 3.32 C ATOM 0 H VAL A 40 1.133 -8.776 31.674 1.00 50.13 H new ATOM 0 HA VAL A 40 0.352 -7.548 29.288 1.00 71.13 H new ATOM 0 HB VAL A 40 3.099 -8.600 30.102 1.00 55.35 H new ATOM 0 HG11 VAL A 40 3.998 -6.833 28.632 1.00 72.40 H new ATOM 0 HG12 VAL A 40 3.025 -8.019 27.730 1.00 72.40 H new ATOM 0 HG13 VAL A 40 2.343 -6.423 28.123 1.00 72.40 H new ATOM 0 HG21 VAL A 40 3.489 -6.324 30.993 1.00 3.32 H new ATOM 0 HG22 VAL A 40 1.805 -5.894 30.609 1.00 3.32 H new ATOM 0 HG23 VAL A 40 2.149 -7.144 31.829 1.00 3.32 H new ATOM 636 N ASP A 41 1.583 -10.605 28.893 1.00 55.13 N ATOM 637 CA ASP A 41 1.635 -11.770 28.002 1.00 63.43 C ATOM 638 C ASP A 41 0.235 -12.130 27.467 1.00 12.44 C ATOM 639 O ASP A 41 0.055 -12.395 26.274 1.00 74.41 O ATOM 640 CB ASP A 41 2.217 -12.966 28.765 1.00 71.41 C ATOM 641 CG ASP A 41 3.544 -12.659 29.435 1.00 1.20 C ATOM 642 OD1 ASP A 41 3.575 -11.792 30.335 1.00 70.32 O ATOM 643 OD2 ASP A 41 4.557 -13.303 29.092 1.00 3.43 O ATOM 0 H ASP A 41 2.004 -10.766 29.808 1.00 55.13 H new ATOM 0 HA ASP A 41 2.269 -11.523 27.150 1.00 63.43 H new ATOM 0 HB2 ASP A 41 1.502 -13.289 29.521 1.00 71.41 H new ATOM 0 HB3 ASP A 41 2.350 -13.799 28.075 1.00 71.41 H new ATOM 648 N GLY A 42 -0.749 -12.132 28.366 1.00 75.42 N ATOM 649 CA GLY A 42 -2.122 -12.444 27.993 1.00 4.52 C ATOM 650 C GLY A 42 -2.744 -11.389 27.088 1.00 42.35 C ATOM 651 O GLY A 42 -3.383 -11.723 26.090 1.00 32.52 O ATOM 0 H GLY A 42 -0.618 -11.921 29.355 1.00 75.42 H new ATOM 0 HA2 GLY A 42 -2.145 -13.409 27.487 1.00 4.52 H new ATOM 0 HA3 GLY A 42 -2.725 -12.543 28.896 1.00 4.52 H new ATOM 655 N ALA A 43 -2.544 -10.113 27.431 1.00 33.24 N ATOM 656 CA ALA A 43 -3.052 -8.996 26.623 1.00 3.11 C ATOM 657 C ALA A 43 -2.618 -9.127 25.157 1.00 13.15 C ATOM 658 O ALA A 43 -3.390 -8.844 24.235 1.00 33.22 O ATOM 659 CB ALA A 43 -2.574 -7.668 27.202 1.00 41.03 C ATOM 0 H ALA A 43 -2.032 -9.825 28.265 1.00 33.24 H new ATOM 0 HA ALA A 43 -4.141 -9.025 26.653 1.00 3.11 H new ATOM 0 HB1 ALA A 43 -2.957 -6.848 26.595 1.00 41.03 H new ATOM 0 HB2 ALA A 43 -2.939 -7.564 28.224 1.00 41.03 H new ATOM 0 HB3 ALA A 43 -1.484 -7.642 27.202 1.00 41.03 H new ATOM 665 N PHE A 44 -1.374 -9.561 24.962 1.00 40.54 N ATOM 666 CA PHE A 44 -0.840 -9.846 23.628 1.00 43.25 C ATOM 667 C PHE A 44 -1.659 -10.946 22.931 1.00 24.44 C ATOM 668 O PHE A 44 -2.103 -10.783 21.792 1.00 72.24 O ATOM 669 CB PHE A 44 0.632 -10.274 23.745 1.00 12.52 C ATOM 670 CG PHE A 44 1.304 -10.554 22.422 1.00 65.34 C ATOM 671 CD1 PHE A 44 1.270 -11.824 21.861 1.00 2.44 C ATOM 672 CD2 PHE A 44 1.973 -9.546 21.744 1.00 42.33 C ATOM 673 CE1 PHE A 44 1.889 -12.080 20.652 1.00 34.24 C ATOM 674 CE2 PHE A 44 2.592 -9.798 20.536 1.00 74.32 C ATOM 675 CZ PHE A 44 2.550 -11.066 19.988 1.00 33.43 C ATOM 0 H PHE A 44 -0.710 -9.725 25.719 1.00 40.54 H new ATOM 0 HA PHE A 44 -0.909 -8.941 23.024 1.00 43.25 H new ATOM 0 HB2 PHE A 44 1.186 -9.491 24.262 1.00 12.52 H new ATOM 0 HB3 PHE A 44 0.690 -11.168 24.365 1.00 12.52 H new ATOM 0 HD1 PHE A 44 0.754 -12.621 22.376 1.00 2.44 H new ATOM 0 HD2 PHE A 44 2.010 -8.552 22.166 1.00 42.33 H new ATOM 0 HE1 PHE A 44 1.856 -13.072 20.227 1.00 34.24 H new ATOM 0 HE2 PHE A 44 3.109 -9.004 20.019 1.00 74.32 H new ATOM 0 HZ PHE A 44 3.033 -11.263 19.042 1.00 33.43 H new ATOM 685 N LEU A 45 -1.854 -12.062 23.632 1.00 42.14 N ATOM 686 CA LEU A 45 -2.618 -13.201 23.104 1.00 44.42 C ATOM 687 C LEU A 45 -4.066 -12.816 22.762 1.00 43.33 C ATOM 688 O LEU A 45 -4.627 -13.300 21.778 1.00 63.31 O ATOM 689 CB LEU A 45 -2.608 -14.355 24.115 1.00 53.32 C ATOM 690 CG LEU A 45 -1.236 -15.001 24.362 1.00 53.13 C ATOM 691 CD1 LEU A 45 -1.313 -16.008 25.504 1.00 15.34 C ATOM 692 CD2 LEU A 45 -0.717 -15.668 23.089 1.00 24.31 C ATOM 0 H LEU A 45 -1.492 -12.206 24.575 1.00 42.14 H new ATOM 0 HA LEU A 45 -2.135 -13.519 22.180 1.00 44.42 H new ATOM 0 HB2 LEU A 45 -2.994 -13.987 25.065 1.00 53.32 H new ATOM 0 HB3 LEU A 45 -3.297 -15.126 23.768 1.00 53.32 H new ATOM 0 HG LEU A 45 -0.535 -14.216 24.646 1.00 53.13 H new ATOM 0 HD11 LEU A 45 -0.331 -16.454 25.663 1.00 15.34 H new ATOM 0 HD12 LEU A 45 -1.633 -15.502 26.415 1.00 15.34 H new ATOM 0 HD13 LEU A 45 -2.030 -16.789 25.252 1.00 15.34 H new ATOM 0 HD21 LEU A 45 0.256 -16.119 23.285 1.00 24.31 H new ATOM 0 HD22 LEU A 45 -1.418 -16.440 22.771 1.00 24.31 H new ATOM 0 HD23 LEU A 45 -0.618 -14.921 22.301 1.00 24.31 H new ATOM 704 N VAL A 46 -4.665 -11.946 23.576 1.00 31.13 N ATOM 705 CA VAL A 46 -6.036 -11.479 23.335 1.00 63.23 C ATOM 706 C VAL A 46 -6.162 -10.792 21.964 1.00 55.31 C ATOM 707 O VAL A 46 -7.044 -11.124 21.169 1.00 54.44 O ATOM 708 CB VAL A 46 -6.511 -10.500 24.439 1.00 61.24 C ATOM 709 CG1 VAL A 46 -7.933 -10.022 24.164 1.00 62.24 C ATOM 710 CG2 VAL A 46 -6.421 -11.145 25.820 1.00 72.32 C ATOM 0 H VAL A 46 -4.226 -11.550 24.407 1.00 31.13 H new ATOM 0 HA VAL A 46 -6.671 -12.364 23.352 1.00 63.23 H new ATOM 0 HB VAL A 46 -5.848 -9.635 24.425 1.00 61.24 H new ATOM 0 HG11 VAL A 46 -8.245 -9.336 24.952 1.00 62.24 H new ATOM 0 HG12 VAL A 46 -7.965 -9.509 23.203 1.00 62.24 H new ATOM 0 HG13 VAL A 46 -8.607 -10.879 24.141 1.00 62.24 H new ATOM 0 HG21 VAL A 46 -6.760 -10.436 26.575 1.00 72.32 H new ATOM 0 HG22 VAL A 46 -7.051 -12.034 25.848 1.00 72.32 H new ATOM 0 HG23 VAL A 46 -5.388 -11.426 26.024 1.00 72.32 H new ATOM 720 N GLU A 47 -5.269 -9.839 21.687 1.00 55.24 N ATOM 721 CA GLU A 47 -5.266 -9.143 20.392 1.00 74.23 C ATOM 722 C GLU A 47 -4.920 -10.109 19.249 1.00 21.31 C ATOM 723 O GLU A 47 -5.509 -10.048 18.166 1.00 24.34 O ATOM 724 CB GLU A 47 -4.276 -7.968 20.405 1.00 22.35 C ATOM 725 CG GLU A 47 -4.575 -6.912 21.467 1.00 14.43 C ATOM 726 CD GLU A 47 -5.994 -6.363 21.378 1.00 13.20 C ATOM 727 OE1 GLU A 47 -6.325 -5.712 20.363 1.00 10.25 O ATOM 728 OE2 GLU A 47 -6.783 -6.585 22.327 1.00 60.20 O ATOM 0 H GLU A 47 -4.543 -9.531 22.334 1.00 55.24 H new ATOM 0 HA GLU A 47 -6.270 -8.752 20.224 1.00 74.23 H new ATOM 0 HB2 GLU A 47 -3.270 -8.356 20.567 1.00 22.35 H new ATOM 0 HB3 GLU A 47 -4.280 -7.493 19.424 1.00 22.35 H new ATOM 0 HG2 GLU A 47 -4.420 -7.345 22.455 1.00 14.43 H new ATOM 0 HG3 GLU A 47 -3.866 -6.090 21.364 1.00 14.43 H new ATOM 735 N ALA A 48 -3.965 -11.003 19.502 1.00 32.32 N ATOM 736 CA ALA A 48 -3.598 -12.042 18.536 1.00 63.11 C ATOM 737 C ALA A 48 -4.802 -12.936 18.196 1.00 42.44 C ATOM 738 O ALA A 48 -4.959 -13.383 17.059 1.00 31.52 O ATOM 739 CB ALA A 48 -2.446 -12.884 19.076 1.00 14.14 C ATOM 0 H ALA A 48 -3.429 -11.030 20.370 1.00 32.32 H new ATOM 0 HA ALA A 48 -3.275 -11.550 17.618 1.00 63.11 H new ATOM 0 HB1 ALA A 48 -2.184 -13.652 18.348 1.00 14.14 H new ATOM 0 HB2 ALA A 48 -1.582 -12.245 19.256 1.00 14.14 H new ATOM 0 HB3 ALA A 48 -2.748 -13.358 20.010 1.00 14.14 H new ATOM 745 N LEU A 49 -5.649 -13.186 19.195 1.00 11.11 N ATOM 746 CA LEU A 49 -6.876 -13.969 19.013 1.00 32.32 C ATOM 747 C LEU A 49 -7.906 -13.203 18.161 1.00 70.33 C ATOM 748 O LEU A 49 -8.512 -13.766 17.247 1.00 54.23 O ATOM 749 CB LEU A 49 -7.475 -14.333 20.381 1.00 44.11 C ATOM 750 CG LEU A 49 -8.815 -15.087 20.342 1.00 10.21 C ATOM 751 CD1 LEU A 49 -8.687 -16.394 19.558 1.00 20.24 C ATOM 752 CD2 LEU A 49 -9.321 -15.354 21.758 1.00 70.52 C ATOM 0 H LEU A 49 -5.507 -12.854 20.149 1.00 11.11 H new ATOM 0 HA LEU A 49 -6.620 -14.885 18.481 1.00 32.32 H new ATOM 0 HB2 LEU A 49 -6.752 -14.942 20.923 1.00 44.11 H new ATOM 0 HB3 LEU A 49 -7.612 -13.415 20.953 1.00 44.11 H new ATOM 0 HG LEU A 49 -9.542 -14.458 19.829 1.00 10.21 H new ATOM 0 HD11 LEU A 49 -9.649 -16.907 19.546 1.00 20.24 H new ATOM 0 HD12 LEU A 49 -8.379 -16.176 18.535 1.00 20.24 H new ATOM 0 HD13 LEU A 49 -7.942 -17.032 20.033 1.00 20.24 H new ATOM 0 HD21 LEU A 49 -10.270 -15.888 21.711 1.00 70.52 H new ATOM 0 HD22 LEU A 49 -8.591 -15.958 22.297 1.00 70.52 H new ATOM 0 HD23 LEU A 49 -9.463 -14.407 22.278 1.00 70.52 H new ATOM 764 N LYS A 50 -8.081 -11.913 18.457 1.00 72.31 N ATOM 765 CA LYS A 50 -9.018 -11.054 17.711 1.00 52.21 C ATOM 766 C LYS A 50 -8.699 -11.015 16.204 1.00 32.30 C ATOM 767 O LYS A 50 -9.572 -10.727 15.381 1.00 64.40 O ATOM 768 CB LYS A 50 -8.986 -9.623 18.265 1.00 64.41 C ATOM 769 CG LYS A 50 -9.447 -9.501 19.713 1.00 62.33 C ATOM 770 CD LYS A 50 -9.339 -8.062 20.216 1.00 24.41 C ATOM 771 CE LYS A 50 -9.805 -7.924 21.660 1.00 0.43 C ATOM 772 NZ LYS A 50 -9.595 -6.548 22.179 1.00 12.53 N ATOM 0 H LYS A 50 -7.587 -11.434 19.210 1.00 72.31 H new ATOM 0 HA LYS A 50 -10.011 -11.485 17.839 1.00 52.21 H new ATOM 0 HB2 LYS A 50 -7.969 -9.238 18.186 1.00 64.41 H new ATOM 0 HB3 LYS A 50 -9.616 -8.990 17.641 1.00 64.41 H new ATOM 0 HG2 LYS A 50 -10.479 -9.840 19.797 1.00 62.33 H new ATOM 0 HG3 LYS A 50 -8.844 -10.154 20.344 1.00 62.33 H new ATOM 0 HD2 LYS A 50 -8.305 -7.727 20.135 1.00 24.41 H new ATOM 0 HD3 LYS A 50 -9.936 -7.410 19.579 1.00 24.41 H new ATOM 0 HE2 LYS A 50 -10.862 -8.180 21.727 1.00 0.43 H new ATOM 0 HE3 LYS A 50 -9.265 -8.635 22.286 1.00 0.43 H new ATOM 0 HZ1 LYS A 50 -10.088 -6.441 23.088 1.00 12.53 H new ATOM 0 HZ2 LYS A 50 -8.578 -6.380 22.315 1.00 12.53 H new ATOM 0 HZ3 LYS A 50 -9.972 -5.859 21.498 1.00 12.53 H new ATOM 786 N ARG A 51 -7.445 -11.293 15.851 1.00 43.11 N ATOM 787 CA ARG A 51 -6.998 -11.243 14.452 1.00 13.43 C ATOM 788 C ARG A 51 -7.051 -12.626 13.772 1.00 35.34 C ATOM 789 O ARG A 51 -6.342 -12.883 12.800 1.00 32.31 O ATOM 790 CB ARG A 51 -5.585 -10.644 14.390 1.00 61.42 C ATOM 791 CG ARG A 51 -5.539 -9.198 14.882 1.00 34.25 C ATOM 792 CD ARG A 51 -4.138 -8.601 14.823 1.00 14.15 C ATOM 793 NE ARG A 51 -4.148 -7.180 15.167 1.00 25.44 N ATOM 794 CZ ARG A 51 -3.101 -6.406 15.151 1.00 32.21 C ATOM 795 NH1 ARG A 51 -1.936 -6.872 14.840 1.00 53.11 N ATOM 796 NH2 ARG A 51 -3.225 -5.156 15.446 1.00 74.43 N ATOM 0 H ARG A 51 -6.716 -11.556 16.514 1.00 43.11 H new ATOM 0 HA ARG A 51 -7.685 -10.604 13.896 1.00 13.43 H new ATOM 0 HB2 ARG A 51 -4.910 -11.251 14.993 1.00 61.42 H new ATOM 0 HB3 ARG A 51 -5.221 -10.687 13.364 1.00 61.42 H new ATOM 0 HG2 ARG A 51 -6.214 -8.591 14.278 1.00 34.25 H new ATOM 0 HG3 ARG A 51 -5.905 -9.156 15.908 1.00 34.25 H new ATOM 0 HD2 ARG A 51 -3.483 -9.138 15.509 1.00 14.15 H new ATOM 0 HD3 ARG A 51 -3.727 -8.732 13.822 1.00 14.15 H new ATOM 0 HE ARG A 51 -5.039 -6.765 15.439 1.00 25.44 H new ATOM 0 HH11 ARG A 51 -1.828 -7.858 14.603 1.00 53.11 H new ATOM 0 HH12 ARG A 51 -1.125 -6.254 14.832 1.00 53.11 H new ATOM 0 HH21 ARG A 51 -4.140 -4.778 15.690 1.00 74.43 H new ATOM 0 HH22 ARG A 51 -2.408 -4.546 15.435 1.00 74.43 H new ATOM 810 N HIS A 52 -7.899 -13.515 14.292 1.00 2.42 N ATOM 811 CA HIS A 52 -8.191 -14.794 13.630 1.00 64.33 C ATOM 812 C HIS A 52 -9.525 -14.727 12.868 1.00 22.14 C ATOM 813 O HIS A 52 -10.437 -13.995 13.265 1.00 11.30 O ATOM 814 CB HIS A 52 -8.241 -15.936 14.656 1.00 44.02 C ATOM 815 CG HIS A 52 -6.896 -16.369 15.152 1.00 41.40 C ATOM 816 ND1 HIS A 52 -6.220 -17.455 14.636 1.00 24.34 N ATOM 817 CD2 HIS A 52 -6.105 -15.870 16.126 1.00 4.25 C ATOM 818 CE1 HIS A 52 -5.078 -17.604 15.271 1.00 13.41 C ATOM 819 NE2 HIS A 52 -4.980 -16.656 16.180 1.00 43.50 N ATOM 0 H HIS A 52 -8.398 -13.375 15.171 1.00 2.42 H new ATOM 0 HA HIS A 52 -7.389 -14.989 12.918 1.00 64.33 H new ATOM 0 HB2 HIS A 52 -8.846 -15.621 15.506 1.00 44.02 H new ATOM 0 HB3 HIS A 52 -8.744 -16.792 14.207 1.00 44.02 H new ATOM 0 HD2 HIS A 52 -6.317 -15.012 16.747 1.00 4.25 H new ATOM 0 HE1 HIS A 52 -4.345 -18.373 15.079 1.00 13.41 H new ATOM 0 HE2 HIS A 52 -4.196 -16.527 16.820 1.00 43.50 H new ATOM 828 N PRO A 53 -9.661 -15.491 11.761 1.00 2.44 N ATOM 829 CA PRO A 53 -10.909 -15.535 10.972 1.00 11.33 C ATOM 830 C PRO A 53 -12.136 -15.900 11.826 1.00 42.14 C ATOM 831 O PRO A 53 -13.171 -15.230 11.763 1.00 53.35 O ATOM 832 CB PRO A 53 -10.635 -16.620 9.907 1.00 33.22 C ATOM 833 CG PRO A 53 -9.430 -17.360 10.397 1.00 44.04 C ATOM 834 CD PRO A 53 -8.622 -16.360 11.177 1.00 3.01 C ATOM 0 HA PRO A 53 -11.150 -14.562 10.544 1.00 11.33 H new ATOM 0 HB2 PRO A 53 -11.489 -17.288 9.798 1.00 33.22 H new ATOM 0 HB3 PRO A 53 -10.452 -16.174 8.929 1.00 33.22 H new ATOM 0 HG2 PRO A 53 -9.718 -18.204 11.024 1.00 44.04 H new ATOM 0 HG3 PRO A 53 -8.854 -17.764 9.564 1.00 44.04 H new ATOM 0 HD2 PRO A 53 -8.016 -16.840 11.946 1.00 3.01 H new ATOM 0 HD3 PRO A 53 -7.940 -15.802 10.536 1.00 3.01 H new ATOM 842 N ASP A 54 -12.020 -16.961 12.625 1.00 63.51 N ATOM 843 CA ASP A 54 -13.101 -17.364 13.529 1.00 52.42 C ATOM 844 C ASP A 54 -12.773 -16.976 14.980 1.00 43.13 C ATOM 845 O ASP A 54 -12.540 -17.832 15.836 1.00 44.05 O ATOM 846 CB ASP A 54 -13.357 -18.874 13.415 1.00 54.32 C ATOM 847 CG ASP A 54 -14.587 -19.338 14.187 1.00 2.34 C ATOM 848 OD1 ASP A 54 -15.385 -18.482 14.636 1.00 24.01 O ATOM 849 OD2 ASP A 54 -14.772 -20.568 14.331 1.00 1.23 O ATOM 0 H ASP A 54 -11.192 -17.556 12.666 1.00 63.51 H new ATOM 0 HA ASP A 54 -14.009 -16.836 13.236 1.00 52.42 H new ATOM 0 HB2 ASP A 54 -13.476 -19.137 12.364 1.00 54.32 H new ATOM 0 HB3 ASP A 54 -12.483 -19.412 13.781 1.00 54.32 H new ATOM 854 N ALA A 55 -12.723 -15.675 15.243 1.00 43.20 N ATOM 855 CA ALA A 55 -12.514 -15.175 16.605 1.00 0.11 C ATOM 856 C ALA A 55 -13.832 -15.154 17.390 1.00 70.42 C ATOM 857 O ALA A 55 -13.863 -15.462 18.580 1.00 22.35 O ATOM 858 CB ALA A 55 -11.888 -13.785 16.567 1.00 73.01 C ATOM 0 H ALA A 55 -12.823 -14.946 14.537 1.00 43.20 H new ATOM 0 HA ALA A 55 -11.830 -15.851 17.117 1.00 0.11 H new ATOM 0 HB1 ALA A 55 -11.738 -13.425 17.585 1.00 73.01 H new ATOM 0 HB2 ALA A 55 -10.927 -13.832 16.054 1.00 73.01 H new ATOM 0 HB3 ALA A 55 -12.550 -13.102 16.035 1.00 73.01 H new ATOM 864 N THR A 56 -14.922 -14.816 16.698 1.00 74.50 N ATOM 865 CA THR A 56 -16.259 -14.726 17.312 1.00 12.24 C ATOM 866 C THR A 56 -16.631 -15.978 18.120 1.00 75.00 C ATOM 867 O THR A 56 -17.088 -15.877 19.259 1.00 31.14 O ATOM 868 CB THR A 56 -17.360 -14.479 16.246 1.00 53.10 C ATOM 869 OG1 THR A 56 -18.668 -14.621 16.830 1.00 13.31 O ATOM 870 CG2 THR A 56 -17.220 -15.438 15.062 1.00 14.21 C ATOM 0 H THR A 56 -14.909 -14.597 15.702 1.00 74.50 H new ATOM 0 HA THR A 56 -16.206 -13.878 17.995 1.00 12.24 H new ATOM 0 HB THR A 56 -17.236 -13.460 15.879 1.00 53.10 H new ATOM 0 HG1 THR A 56 -19.351 -14.461 16.146 1.00 13.31 H new ATOM 0 HG21 THR A 56 -18.007 -15.236 14.335 1.00 14.21 H new ATOM 0 HG22 THR A 56 -16.247 -15.296 14.592 1.00 14.21 H new ATOM 0 HG23 THR A 56 -17.306 -16.466 15.414 1.00 14.21 H new ATOM 878 N SER A 57 -16.416 -17.161 17.543 1.00 55.25 N ATOM 879 CA SER A 57 -16.833 -18.412 18.193 1.00 42.55 C ATOM 880 C SER A 57 -15.846 -18.850 19.282 1.00 42.05 C ATOM 881 O SER A 57 -16.208 -19.610 20.181 1.00 62.21 O ATOM 882 CB SER A 57 -16.999 -19.537 17.165 1.00 21.24 C ATOM 883 OG SER A 57 -17.571 -20.695 17.758 1.00 20.55 O ATOM 0 H SER A 57 -15.962 -17.283 16.638 1.00 55.25 H new ATOM 0 HA SER A 57 -17.795 -18.214 18.666 1.00 42.55 H new ATOM 0 HB2 SER A 57 -17.632 -19.194 16.346 1.00 21.24 H new ATOM 0 HB3 SER A 57 -16.029 -19.787 16.735 1.00 21.24 H new ATOM 0 HG SER A 57 -17.328 -20.730 18.707 1.00 20.55 H new ATOM 889 N LYS A 58 -14.600 -18.374 19.199 1.00 24.12 N ATOM 890 CA LYS A 58 -13.579 -18.693 20.209 1.00 45.44 C ATOM 891 C LYS A 58 -13.640 -17.715 21.395 1.00 70.40 C ATOM 892 O LYS A 58 -13.192 -18.031 22.497 1.00 75.42 O ATOM 893 CB LYS A 58 -12.173 -18.667 19.586 1.00 14.22 C ATOM 894 CG LYS A 58 -11.992 -19.626 18.411 1.00 60.32 C ATOM 895 CD LYS A 58 -12.341 -21.069 18.782 1.00 44.12 C ATOM 896 CE LYS A 58 -12.031 -22.029 17.639 1.00 23.14 C ATOM 897 NZ LYS A 58 -12.533 -23.403 17.902 1.00 22.15 N ATOM 0 H LYS A 58 -14.272 -17.768 18.447 1.00 24.12 H new ATOM 0 HA LYS A 58 -13.787 -19.697 20.579 1.00 45.44 H new ATOM 0 HB2 LYS A 58 -11.955 -17.653 19.250 1.00 14.22 H new ATOM 0 HB3 LYS A 58 -11.442 -18.912 20.356 1.00 14.22 H new ATOM 0 HG2 LYS A 58 -12.621 -19.304 17.581 1.00 60.32 H new ATOM 0 HG3 LYS A 58 -10.960 -19.582 18.064 1.00 60.32 H new ATOM 0 HD2 LYS A 58 -11.780 -21.364 19.669 1.00 44.12 H new ATOM 0 HD3 LYS A 58 -13.399 -21.135 19.037 1.00 44.12 H new ATOM 0 HE2 LYS A 58 -12.478 -21.651 16.719 1.00 23.14 H new ATOM 0 HE3 LYS A 58 -10.953 -22.063 17.479 1.00 23.14 H new ATOM 0 HZ1 LYS A 58 -12.089 -24.068 17.237 1.00 22.15 H new ATOM 0 HZ2 LYS A 58 -12.296 -23.679 18.876 1.00 22.15 H new ATOM 0 HZ3 LYS A 58 -13.565 -23.425 17.777 1.00 22.15 H new ATOM 911 N ILE A 59 -14.187 -16.523 21.155 1.00 73.03 N ATOM 912 CA ILE A 59 -14.347 -15.512 22.209 1.00 22.52 C ATOM 913 C ILE A 59 -15.777 -15.519 22.777 1.00 53.53 C ATOM 914 O ILE A 59 -16.004 -15.932 23.918 1.00 20.51 O ATOM 915 CB ILE A 59 -14.013 -14.089 21.679 1.00 10.20 C ATOM 916 CG1 ILE A 59 -12.580 -14.049 21.121 1.00 14.34 C ATOM 917 CG2 ILE A 59 -14.192 -13.042 22.783 1.00 41.54 C ATOM 918 CD1 ILE A 59 -12.200 -12.728 20.485 1.00 52.34 C ATOM 0 H ILE A 59 -14.528 -16.230 20.239 1.00 73.03 H new ATOM 0 HA ILE A 59 -13.648 -15.769 23.005 1.00 22.52 H new ATOM 0 HB ILE A 59 -14.706 -13.851 20.872 1.00 10.20 H new ATOM 0 HG12 ILE A 59 -11.881 -14.265 21.929 1.00 14.34 H new ATOM 0 HG13 ILE A 59 -12.467 -14.842 20.381 1.00 14.34 H new ATOM 0 HG21 ILE A 59 -13.953 -12.054 22.390 1.00 41.54 H new ATOM 0 HG22 ILE A 59 -15.225 -13.054 23.131 1.00 41.54 H new ATOM 0 HG23 ILE A 59 -13.526 -13.272 23.614 1.00 41.54 H new ATOM 0 HD11 ILE A 59 -11.175 -12.783 20.117 1.00 52.34 H new ATOM 0 HD12 ILE A 59 -12.873 -12.517 19.654 1.00 52.34 H new ATOM 0 HD13 ILE A 59 -12.278 -11.932 21.226 1.00 52.34 H new ATOM 930 N GLY A 60 -16.742 -15.084 21.967 1.00 24.22 N ATOM 931 CA GLY A 60 -18.124 -14.976 22.425 1.00 55.03 C ATOM 932 C GLY A 60 -18.344 -13.783 23.356 1.00 32.43 C ATOM 933 O GLY A 60 -18.217 -12.634 22.929 1.00 73.33 O ATOM 0 H GLY A 60 -16.593 -14.803 20.998 1.00 24.22 H new ATOM 0 HA2 GLY A 60 -18.783 -14.884 21.561 1.00 55.03 H new ATOM 0 HA3 GLY A 60 -18.404 -15.893 22.944 1.00 55.03 H new ATOM 937 N PRO A 61 -18.682 -14.018 24.641 1.00 54.44 N ATOM 938 CA PRO A 61 -18.883 -12.930 25.619 1.00 75.23 C ATOM 939 C PRO A 61 -17.579 -12.190 25.976 1.00 73.24 C ATOM 940 O PRO A 61 -17.581 -10.974 26.195 1.00 70.03 O ATOM 941 CB PRO A 61 -19.449 -13.661 26.846 1.00 21.53 C ATOM 942 CG PRO A 61 -18.956 -15.063 26.717 1.00 61.32 C ATOM 943 CD PRO A 61 -18.913 -15.350 25.239 1.00 40.11 C ATOM 0 HA PRO A 61 -19.536 -12.150 25.227 1.00 75.23 H new ATOM 0 HB2 PRO A 61 -19.103 -13.204 27.773 1.00 21.53 H new ATOM 0 HB3 PRO A 61 -20.538 -13.625 26.860 1.00 21.53 H new ATOM 0 HG2 PRO A 61 -17.969 -15.173 27.165 1.00 61.32 H new ATOM 0 HG3 PRO A 61 -19.619 -15.759 27.231 1.00 61.32 H new ATOM 0 HD2 PRO A 61 -18.114 -16.048 24.988 1.00 40.11 H new ATOM 0 HD3 PRO A 61 -19.845 -15.793 24.888 1.00 40.11 H new ATOM 951 N GLY A 62 -16.470 -12.928 26.034 1.00 70.24 N ATOM 952 CA GLY A 62 -15.181 -12.329 26.373 1.00 32.44 C ATOM 953 C GLY A 62 -14.150 -13.353 26.844 1.00 45.40 C ATOM 954 O GLY A 62 -14.493 -14.496 27.158 1.00 41.53 O ATOM 0 H GLY A 62 -16.438 -13.931 25.853 1.00 70.24 H new ATOM 0 HA2 GLY A 62 -14.791 -11.804 25.501 1.00 32.44 H new ATOM 0 HA3 GLY A 62 -15.328 -11.584 27.155 1.00 32.44 H new ATOM 958 N VAL A 63 -12.881 -12.947 26.891 1.00 63.31 N ATOM 959 CA VAL A 63 -11.799 -13.837 27.324 1.00 41.21 C ATOM 960 C VAL A 63 -11.587 -13.760 28.846 1.00 45.40 C ATOM 961 O VAL A 63 -11.465 -12.673 29.414 1.00 4.41 O ATOM 962 CB VAL A 63 -10.466 -13.504 26.605 1.00 45.11 C ATOM 963 CG1 VAL A 63 -9.362 -14.471 27.037 1.00 54.42 C ATOM 964 CG2 VAL A 63 -10.650 -13.533 25.087 1.00 63.23 C ATOM 0 H VAL A 63 -12.575 -12.008 26.635 1.00 63.31 H new ATOM 0 HA VAL A 63 -12.101 -14.850 27.056 1.00 41.21 H new ATOM 0 HB VAL A 63 -10.165 -12.496 26.892 1.00 45.11 H new ATOM 0 HG11 VAL A 63 -8.436 -14.220 26.521 1.00 54.42 H new ATOM 0 HG12 VAL A 63 -9.210 -14.393 28.114 1.00 54.42 H new ATOM 0 HG13 VAL A 63 -9.653 -15.491 26.785 1.00 54.42 H new ATOM 0 HG21 VAL A 63 -9.703 -13.297 24.601 1.00 63.23 H new ATOM 0 HG22 VAL A 63 -10.978 -14.526 24.779 1.00 63.23 H new ATOM 0 HG23 VAL A 63 -11.400 -12.797 24.797 1.00 63.23 H new ATOM 974 N ARG A 64 -11.552 -14.920 29.497 1.00 33.43 N ATOM 975 CA ARG A 64 -11.330 -15.001 30.944 1.00 64.24 C ATOM 976 C ARG A 64 -9.820 -14.948 31.252 1.00 71.11 C ATOM 977 O ARG A 64 -9.370 -14.130 32.057 1.00 52.24 O ATOM 978 CB ARG A 64 -11.986 -16.291 31.481 1.00 72.31 C ATOM 979 CG ARG A 64 -12.132 -16.385 33.003 1.00 25.10 C ATOM 980 CD ARG A 64 -10.867 -16.891 33.685 1.00 64.11 C ATOM 981 NE ARG A 64 -11.080 -17.179 35.101 1.00 52.24 N ATOM 982 CZ ARG A 64 -10.380 -18.046 35.788 1.00 0.44 C ATOM 983 NH1 ARG A 64 -9.425 -18.719 35.227 1.00 33.41 N ATOM 984 NH2 ARG A 64 -10.640 -18.240 37.039 1.00 22.44 N ATOM 0 H ARG A 64 -11.675 -15.825 29.044 1.00 33.43 H new ATOM 0 HA ARG A 64 -11.790 -14.149 31.445 1.00 64.24 H new ATOM 0 HB2 ARG A 64 -12.976 -16.385 31.034 1.00 72.31 H new ATOM 0 HB3 ARG A 64 -11.399 -17.143 31.139 1.00 72.31 H new ATOM 0 HG2 ARG A 64 -12.386 -15.403 33.401 1.00 25.10 H new ATOM 0 HG3 ARG A 64 -12.961 -17.051 33.244 1.00 25.10 H new ATOM 0 HD2 ARG A 64 -10.521 -17.793 33.181 1.00 64.11 H new ATOM 0 HD3 ARG A 64 -10.078 -16.146 33.582 1.00 64.11 H new ATOM 0 HE ARG A 64 -11.821 -16.672 35.585 1.00 52.24 H new ATOM 0 HH11 ARG A 64 -9.212 -18.576 34.240 1.00 33.41 H new ATOM 0 HH12 ARG A 64 -8.886 -19.392 35.773 1.00 33.41 H new ATOM 0 HH21 ARG A 64 -11.391 -17.718 37.491 1.00 22.44 H new ATOM 0 HH22 ARG A 64 -10.095 -18.916 37.574 1.00 22.44 H new ATOM 998 N ASN A 65 -9.049 -15.819 30.593 1.00 20.45 N ATOM 999 CA ASN A 65 -7.577 -15.798 30.682 1.00 12.40 C ATOM 1000 C ASN A 65 -6.954 -16.831 29.730 1.00 51.32 C ATOM 1001 O ASN A 65 -7.663 -17.561 29.037 1.00 13.14 O ATOM 1002 CB ASN A 65 -7.097 -16.071 32.119 1.00 13.23 C ATOM 1003 CG ASN A 65 -7.225 -17.530 32.522 1.00 4.51 C ATOM 1004 OD1 ASN A 65 -8.266 -17.969 32.983 1.00 31.11 O ATOM 1005 ND2 ASN A 65 -6.162 -18.295 32.363 1.00 73.41 N ATOM 0 H ASN A 65 -9.418 -16.553 29.988 1.00 20.45 H new ATOM 0 HA ASN A 65 -7.252 -14.800 30.389 1.00 12.40 H new ATOM 0 HB2 ASN A 65 -6.055 -15.764 32.212 1.00 13.23 H new ATOM 0 HB3 ASN A 65 -7.673 -15.457 32.811 1.00 13.23 H new ATOM 0 HD21 ASN A 65 -6.198 -19.279 32.628 1.00 73.41 H new ATOM 0 HD22 ASN A 65 -5.304 -17.902 31.975 1.00 73.41 H new ATOM 1012 N PHE A 66 -5.624 -16.881 29.696 1.00 63.01 N ATOM 1013 CA PHE A 66 -4.898 -17.907 28.935 1.00 2.52 C ATOM 1014 C PHE A 66 -4.049 -18.781 29.873 1.00 42.20 C ATOM 1015 O PHE A 66 -3.493 -18.294 30.861 1.00 35.44 O ATOM 1016 CB PHE A 66 -4.002 -17.261 27.868 1.00 24.04 C ATOM 1017 CG PHE A 66 -4.765 -16.602 26.745 1.00 61.11 C ATOM 1018 CD1 PHE A 66 -5.224 -15.300 26.868 1.00 35.42 C ATOM 1019 CD2 PHE A 66 -5.017 -17.288 25.563 1.00 72.15 C ATOM 1020 CE1 PHE A 66 -5.917 -14.697 25.838 1.00 4.53 C ATOM 1021 CE2 PHE A 66 -5.711 -16.686 24.533 1.00 31.30 C ATOM 1022 CZ PHE A 66 -6.162 -15.390 24.670 1.00 63.34 C ATOM 0 H PHE A 66 -5.021 -16.222 30.188 1.00 63.01 H new ATOM 0 HA PHE A 66 -5.634 -18.539 28.438 1.00 2.52 H new ATOM 0 HB2 PHE A 66 -3.364 -16.518 28.345 1.00 24.04 H new ATOM 0 HB3 PHE A 66 -3.345 -18.023 27.449 1.00 24.04 H new ATOM 0 HD1 PHE A 66 -5.037 -14.752 27.779 1.00 35.42 H new ATOM 0 HD2 PHE A 66 -4.666 -18.303 25.449 1.00 72.15 H new ATOM 0 HE1 PHE A 66 -6.268 -13.681 25.946 1.00 4.53 H new ATOM 0 HE2 PHE A 66 -5.901 -17.230 23.620 1.00 31.30 H new ATOM 0 HZ PHE A 66 -6.706 -14.918 23.865 1.00 63.34 H new ATOM 1032 N GLU A 67 -3.959 -20.070 29.563 1.00 44.35 N ATOM 1033 CA GLU A 67 -3.187 -21.016 30.380 1.00 21.25 C ATOM 1034 C GLU A 67 -2.192 -21.812 29.521 1.00 14.45 C ATOM 1035 O GLU A 67 -2.564 -22.394 28.498 1.00 60.01 O ATOM 1036 CB GLU A 67 -4.146 -21.973 31.112 1.00 53.01 C ATOM 1037 CG GLU A 67 -3.455 -23.010 31.999 1.00 50.53 C ATOM 1038 CD GLU A 67 -4.442 -23.847 32.807 1.00 44.21 C ATOM 1039 OE1 GLU A 67 -4.906 -23.368 33.866 1.00 32.34 O ATOM 1040 OE2 GLU A 67 -4.762 -24.983 32.395 1.00 61.53 O ATOM 0 H GLU A 67 -4.410 -20.490 28.751 1.00 44.35 H new ATOM 0 HA GLU A 67 -2.613 -20.448 31.113 1.00 21.25 H new ATOM 0 HB2 GLU A 67 -4.827 -21.384 31.727 1.00 53.01 H new ATOM 0 HB3 GLU A 67 -4.754 -22.494 30.372 1.00 53.01 H new ATOM 0 HG2 GLU A 67 -2.851 -23.670 31.376 1.00 50.53 H new ATOM 0 HG3 GLU A 67 -2.773 -22.502 32.681 1.00 50.53 H new ATOM 1047 N VAL A 68 -0.921 -21.815 29.929 1.00 52.32 N ATOM 1048 CA VAL A 68 0.097 -22.628 29.256 1.00 40.54 C ATOM 1049 C VAL A 68 -0.060 -24.097 29.665 1.00 5.14 C ATOM 1050 O VAL A 68 0.334 -24.502 30.759 1.00 62.35 O ATOM 1051 CB VAL A 68 1.529 -22.130 29.577 1.00 2.34 C ATOM 1052 CG1 VAL A 68 2.583 -23.055 28.968 1.00 54.31 C ATOM 1053 CG2 VAL A 68 1.712 -20.696 29.082 1.00 53.01 C ATOM 0 H VAL A 68 -0.573 -21.268 30.716 1.00 52.32 H new ATOM 0 HA VAL A 68 -0.050 -22.533 28.180 1.00 40.54 H new ATOM 0 HB VAL A 68 1.663 -22.144 30.659 1.00 2.34 H new ATOM 0 HG11 VAL A 68 3.578 -22.681 29.209 1.00 54.31 H new ATOM 0 HG12 VAL A 68 2.464 -24.059 29.375 1.00 54.31 H new ATOM 0 HG13 VAL A 68 2.459 -23.085 27.885 1.00 54.31 H new ATOM 0 HG21 VAL A 68 2.722 -20.357 29.313 1.00 53.01 H new ATOM 0 HG22 VAL A 68 1.555 -20.660 28.004 1.00 53.01 H new ATOM 0 HG23 VAL A 68 0.989 -20.046 29.575 1.00 53.01 H new ATOM 1063 N ARG A 69 -0.650 -24.885 28.777 1.00 22.22 N ATOM 1064 CA ARG A 69 -1.112 -26.230 29.115 1.00 32.44 C ATOM 1065 C ARG A 69 -0.756 -27.239 28.009 1.00 52.14 C ATOM 1066 O ARG A 69 -0.556 -26.863 26.853 1.00 35.43 O ATOM 1067 CB ARG A 69 -2.627 -26.147 29.338 1.00 23.11 C ATOM 1068 CG ARG A 69 -3.328 -27.449 29.699 1.00 44.04 C ATOM 1069 CD ARG A 69 -4.809 -27.197 29.957 1.00 31.33 C ATOM 1070 NE ARG A 69 -5.529 -28.390 30.385 1.00 22.42 N ATOM 1071 CZ ARG A 69 -6.464 -28.381 31.292 1.00 15.55 C ATOM 1072 NH1 ARG A 69 -6.716 -27.299 31.963 1.00 23.33 N ATOM 1073 NH2 ARG A 69 -7.127 -29.460 31.542 1.00 25.45 N ATOM 0 H ARG A 69 -0.822 -24.616 27.808 1.00 22.22 H new ATOM 0 HA ARG A 69 -0.618 -26.588 30.018 1.00 32.44 H new ATOM 0 HB2 ARG A 69 -2.817 -25.425 30.132 1.00 23.11 H new ATOM 0 HB3 ARG A 69 -3.085 -25.752 28.431 1.00 23.11 H new ATOM 0 HG2 ARG A 69 -3.210 -28.170 28.890 1.00 44.04 H new ATOM 0 HG3 ARG A 69 -2.866 -27.885 30.585 1.00 44.04 H new ATOM 0 HD2 ARG A 69 -4.912 -26.425 30.720 1.00 31.33 H new ATOM 0 HD3 ARG A 69 -5.269 -26.810 29.048 1.00 31.33 H new ATOM 0 HE ARG A 69 -5.287 -29.281 29.950 1.00 22.42 H new ATOM 0 HH11 ARG A 69 -6.181 -26.450 31.781 1.00 23.33 H new ATOM 0 HH12 ARG A 69 -7.449 -27.298 32.672 1.00 23.33 H new ATOM 0 HH21 ARG A 69 -6.918 -30.317 31.030 1.00 25.45 H new ATOM 0 HH22 ARG A 69 -7.860 -29.456 32.252 1.00 25.45 H new ATOM 1087 N SER A 70 -0.675 -28.517 28.377 1.00 14.22 N ATOM 1088 CA SER A 70 -0.239 -29.581 27.456 1.00 52.52 C ATOM 1089 C SER A 70 -1.186 -29.758 26.256 1.00 64.23 C ATOM 1090 O SER A 70 -2.364 -29.385 26.304 1.00 72.22 O ATOM 1091 CB SER A 70 -0.117 -30.917 28.204 1.00 65.43 C ATOM 1092 OG SER A 70 -1.367 -31.328 28.742 1.00 64.02 O ATOM 0 H SER A 70 -0.907 -28.849 29.313 1.00 14.22 H new ATOM 0 HA SER A 70 0.732 -29.274 27.068 1.00 52.52 H new ATOM 0 HB2 SER A 70 0.258 -31.683 27.525 1.00 65.43 H new ATOM 0 HB3 SER A 70 0.612 -30.820 29.008 1.00 65.43 H new ATOM 0 HG SER A 70 -1.257 -32.182 29.210 1.00 64.02 H new ATOM 1098 N ALA A 71 -0.654 -30.332 25.177 1.00 21.44 N ATOM 1099 CA ALA A 71 -1.442 -30.623 23.974 1.00 54.22 C ATOM 1100 C ALA A 71 -1.147 -32.035 23.443 1.00 24.42 C ATOM 1101 O ALA A 71 -2.052 -32.856 23.286 1.00 33.00 O ATOM 1102 CB ALA A 71 -1.160 -29.585 22.896 1.00 43.51 C ATOM 0 H ALA A 71 0.326 -30.607 25.109 1.00 21.44 H new ATOM 0 HA ALA A 71 -2.497 -30.578 24.243 1.00 54.22 H new ATOM 0 HB1 ALA A 71 -1.751 -29.812 22.009 1.00 43.51 H new ATOM 0 HB2 ALA A 71 -1.427 -28.595 23.266 1.00 43.51 H new ATOM 0 HB3 ALA A 71 -0.100 -29.604 22.641 1.00 43.51 H new ATOM 1108 N ASP A 72 0.128 -32.302 23.159 1.00 41.24 N ATOM 1109 CA ASP A 72 0.572 -33.615 22.671 1.00 4.42 C ATOM 1110 C ASP A 72 1.552 -34.260 23.661 1.00 51.21 C ATOM 1111 O ASP A 72 1.709 -33.792 24.792 1.00 4.14 O ATOM 1112 CB ASP A 72 1.245 -33.474 21.299 1.00 31.22 C ATOM 1113 CG ASP A 72 0.369 -32.757 20.291 1.00 23.34 C ATOM 1114 OD1 ASP A 72 -0.585 -33.382 19.781 1.00 1.35 O ATOM 1115 OD2 ASP A 72 0.634 -31.573 19.998 1.00 51.13 O ATOM 0 H ASP A 72 0.881 -31.621 23.259 1.00 41.24 H new ATOM 0 HA ASP A 72 -0.305 -34.255 22.577 1.00 4.42 H new ATOM 0 HB2 ASP A 72 2.182 -32.929 21.413 1.00 31.22 H new ATOM 0 HB3 ASP A 72 1.496 -34.464 20.918 1.00 31.22 H new ATOM 1120 N TYR A 73 2.218 -35.329 23.224 1.00 64.33 N ATOM 1121 CA TYR A 73 3.196 -36.027 24.063 1.00 71.43 C ATOM 1122 C TYR A 73 4.402 -35.125 24.379 1.00 20.24 C ATOM 1123 O TYR A 73 5.393 -35.108 23.646 1.00 52.32 O ATOM 1124 CB TYR A 73 3.662 -37.319 23.373 1.00 32.23 C ATOM 1125 CG TYR A 73 2.524 -38.241 22.968 1.00 33.02 C ATOM 1126 CD1 TYR A 73 1.986 -39.158 23.867 1.00 35.10 C ATOM 1127 CD2 TYR A 73 1.983 -38.186 21.686 1.00 52.35 C ATOM 1128 CE1 TYR A 73 0.947 -39.994 23.499 1.00 32.43 C ATOM 1129 CE2 TYR A 73 0.945 -39.019 21.313 1.00 15.12 C ATOM 1130 CZ TYR A 73 0.429 -39.920 22.222 1.00 4.00 C ATOM 1131 OH TYR A 73 -0.608 -40.751 21.852 1.00 72.45 O ATOM 0 H TYR A 73 2.099 -35.731 22.294 1.00 64.33 H new ATOM 0 HA TYR A 73 2.712 -36.283 25.005 1.00 71.43 H new ATOM 0 HB2 TYR A 73 4.240 -37.059 22.486 1.00 32.23 H new ATOM 0 HB3 TYR A 73 4.332 -37.857 24.043 1.00 32.23 H new ATOM 0 HD1 TYR A 73 2.386 -39.218 24.868 1.00 35.10 H new ATOM 0 HD2 TYR A 73 2.381 -37.481 20.971 1.00 52.35 H new ATOM 0 HE1 TYR A 73 0.543 -40.701 24.208 1.00 32.43 H new ATOM 0 HE2 TYR A 73 0.539 -38.965 20.314 1.00 15.12 H new ATOM 0 HH TYR A 73 -0.856 -40.571 20.921 1.00 72.45 H new ATOM 1141 N GLY A 74 4.292 -34.356 25.459 1.00 61.24 N ATOM 1142 CA GLY A 74 5.374 -33.466 25.869 1.00 25.12 C ATOM 1143 C GLY A 74 5.418 -32.149 25.091 1.00 72.14 C ATOM 1144 O GLY A 74 6.496 -31.596 24.865 1.00 14.12 O ATOM 0 H GLY A 74 3.470 -34.331 26.063 1.00 61.24 H new ATOM 0 HA2 GLY A 74 5.269 -33.246 26.931 1.00 25.12 H new ATOM 0 HA3 GLY A 74 6.325 -33.983 25.743 1.00 25.12 H new ATOM 1148 N THR A 75 4.252 -31.641 24.673 1.00 33.52 N ATOM 1149 CA THR A 75 4.182 -30.353 23.951 1.00 20.00 C ATOM 1150 C THR A 75 3.272 -29.347 24.672 1.00 12.34 C ATOM 1151 O THR A 75 2.269 -29.720 25.288 1.00 11.25 O ATOM 1152 CB THR A 75 3.670 -30.515 22.495 1.00 21.24 C ATOM 1153 OG1 THR A 75 2.278 -30.854 22.491 1.00 0.34 O ATOM 1154 CG2 THR A 75 4.458 -31.588 21.748 1.00 14.05 C ATOM 0 H THR A 75 3.349 -32.093 24.818 1.00 33.52 H new ATOM 0 HA THR A 75 5.205 -29.978 23.928 1.00 20.00 H new ATOM 0 HB THR A 75 3.813 -29.562 21.986 1.00 21.24 H new ATOM 0 HG1 THR A 75 1.857 -30.500 21.680 1.00 0.34 H new ATOM 0 HG21 THR A 75 4.076 -31.678 20.731 1.00 14.05 H new ATOM 0 HG22 THR A 75 5.512 -31.310 21.717 1.00 14.05 H new ATOM 0 HG23 THR A 75 4.350 -32.543 22.262 1.00 14.05 H new ATOM 1162 N GLN A 76 3.627 -28.065 24.579 1.00 51.33 N ATOM 1163 CA GLN A 76 2.865 -26.986 25.225 1.00 13.43 C ATOM 1164 C GLN A 76 2.012 -26.204 24.209 1.00 11.21 C ATOM 1165 O GLN A 76 2.384 -26.071 23.042 1.00 73.53 O ATOM 1166 CB GLN A 76 3.829 -26.015 25.922 1.00 1.43 C ATOM 1167 CG GLN A 76 4.692 -26.648 27.008 1.00 22.22 C ATOM 1168 CD GLN A 76 5.738 -25.684 27.551 1.00 24.34 C ATOM 1169 OE1 GLN A 76 6.864 -25.634 27.070 1.00 53.23 O ATOM 1170 NE2 GLN A 76 5.371 -24.900 28.542 1.00 62.32 N ATOM 0 H GLN A 76 4.443 -27.743 24.059 1.00 51.33 H new ATOM 0 HA GLN A 76 2.196 -27.445 25.953 1.00 13.43 H new ATOM 0 HB2 GLN A 76 4.482 -25.570 25.171 1.00 1.43 H new ATOM 0 HB3 GLN A 76 3.251 -25.203 26.363 1.00 1.43 H new ATOM 0 HG2 GLN A 76 4.054 -26.986 27.825 1.00 22.22 H new ATOM 0 HG3 GLN A 76 5.189 -27.531 26.605 1.00 22.22 H new ATOM 0 HE21 GLN A 76 4.426 -24.965 28.921 1.00 62.32 H new ATOM 0 HE22 GLN A 76 6.031 -24.227 28.931 1.00 62.32 H new ATOM 1179 N CYS A 77 0.868 -25.689 24.663 1.00 21.41 N ATOM 1180 CA CYS A 77 0.005 -24.825 23.838 1.00 65.13 C ATOM 1181 C CYS A 77 -0.737 -23.796 24.702 1.00 42.11 C ATOM 1182 O CYS A 77 -0.883 -23.973 25.914 1.00 63.53 O ATOM 1183 CB CYS A 77 -1.017 -25.660 23.050 1.00 30.52 C ATOM 1184 SG CYS A 77 -0.298 -26.684 21.743 1.00 74.30 S ATOM 0 H CYS A 77 0.511 -25.854 25.604 1.00 21.41 H new ATOM 0 HA CYS A 77 0.652 -24.297 23.137 1.00 65.13 H new ATOM 0 HB2 CYS A 77 -1.554 -26.305 23.745 1.00 30.52 H new ATOM 0 HB3 CYS A 77 -1.751 -24.988 22.606 1.00 30.52 H new ATOM 0 HG CYS A 77 0.996 -26.696 21.864 1.00 74.30 H new ATOM 1190 N PHE A 78 -1.196 -22.715 24.074 1.00 51.12 N ATOM 1191 CA PHE A 78 -1.987 -21.693 24.769 1.00 72.33 C ATOM 1192 C PHE A 78 -3.481 -22.044 24.755 1.00 24.13 C ATOM 1193 O PHE A 78 -4.110 -22.098 23.694 1.00 54.54 O ATOM 1194 CB PHE A 78 -1.778 -20.315 24.128 1.00 53.13 C ATOM 1195 CG PHE A 78 -0.383 -19.764 24.290 1.00 62.42 C ATOM 1196 CD1 PHE A 78 0.055 -19.301 25.524 1.00 3.20 C ATOM 1197 CD2 PHE A 78 0.488 -19.706 23.211 1.00 3.31 C ATOM 1198 CE1 PHE A 78 1.331 -18.791 25.676 1.00 41.31 C ATOM 1199 CE2 PHE A 78 1.763 -19.196 23.358 1.00 4.32 C ATOM 1200 CZ PHE A 78 2.185 -18.738 24.592 1.00 51.30 C ATOM 0 H PHE A 78 -1.035 -22.521 23.085 1.00 51.12 H new ATOM 0 HA PHE A 78 -1.645 -21.662 25.803 1.00 72.33 H new ATOM 0 HB2 PHE A 78 -2.009 -20.382 23.065 1.00 53.13 H new ATOM 0 HB3 PHE A 78 -2.487 -19.612 24.565 1.00 53.13 H new ATOM 0 HD1 PHE A 78 -0.609 -19.340 26.375 1.00 3.20 H new ATOM 0 HD2 PHE A 78 0.165 -20.064 22.245 1.00 3.31 H new ATOM 0 HE1 PHE A 78 1.659 -18.435 26.641 1.00 41.31 H new ATOM 0 HE2 PHE A 78 2.430 -19.155 22.509 1.00 4.32 H new ATOM 0 HZ PHE A 78 3.182 -18.339 24.708 1.00 51.30 H new ATOM 1210 N TRP A 79 -4.041 -22.292 25.935 1.00 72.11 N ATOM 1211 CA TRP A 79 -5.469 -22.598 26.067 1.00 31.35 C ATOM 1212 C TRP A 79 -6.285 -21.341 26.409 1.00 41.32 C ATOM 1213 O TRP A 79 -5.924 -20.573 27.304 1.00 70.30 O ATOM 1214 CB TRP A 79 -5.691 -23.674 27.138 1.00 40.23 C ATOM 1215 CG TRP A 79 -5.226 -25.040 26.725 1.00 72.52 C ATOM 1216 CD1 TRP A 79 -3.955 -25.414 26.394 1.00 24.21 C ATOM 1217 CD2 TRP A 79 -6.036 -26.213 26.598 1.00 32.45 C ATOM 1218 NE1 TRP A 79 -3.923 -26.753 26.087 1.00 35.03 N ATOM 1219 CE2 TRP A 79 -5.189 -27.264 26.198 1.00 44.43 C ATOM 1220 CE3 TRP A 79 -7.395 -26.478 26.784 1.00 73.03 C ATOM 1221 CZ2 TRP A 79 -5.657 -28.558 25.986 1.00 31.21 C ATOM 1222 CZ3 TRP A 79 -7.858 -27.761 26.574 1.00 53.35 C ATOM 1223 CH2 TRP A 79 -6.991 -28.788 26.176 1.00 1.31 C ATOM 0 H TRP A 79 -3.530 -22.288 26.818 1.00 72.11 H new ATOM 0 HA TRP A 79 -5.815 -22.975 25.104 1.00 31.35 H new ATOM 0 HB2 TRP A 79 -5.168 -23.381 28.048 1.00 40.23 H new ATOM 0 HB3 TRP A 79 -6.753 -23.719 27.381 1.00 40.23 H new ATOM 0 HD1 TRP A 79 -3.100 -24.754 26.376 1.00 24.21 H new ATOM 0 HE1 TRP A 79 -3.092 -27.281 25.820 1.00 35.03 H new ATOM 0 HE3 TRP A 79 -8.071 -25.692 27.087 1.00 73.03 H new ATOM 0 HZ2 TRP A 79 -4.990 -29.351 25.682 1.00 31.21 H new ATOM 0 HZ3 TRP A 79 -8.906 -27.977 26.719 1.00 53.35 H new ATOM 0 HH2 TRP A 79 -7.385 -29.781 26.016 1.00 1.31 H new ATOM 1234 N ILE A 80 -7.386 -21.144 25.686 1.00 63.34 N ATOM 1235 CA ILE A 80 -8.269 -19.994 25.893 1.00 54.41 C ATOM 1236 C ILE A 80 -9.367 -20.308 26.921 1.00 71.30 C ATOM 1237 O ILE A 80 -10.250 -21.128 26.664 1.00 42.41 O ATOM 1238 CB ILE A 80 -8.958 -19.569 24.570 1.00 42.10 C ATOM 1239 CG1 ILE A 80 -7.920 -19.371 23.456 1.00 35.02 C ATOM 1240 CG2 ILE A 80 -9.779 -18.293 24.775 1.00 42.22 C ATOM 1241 CD1 ILE A 80 -8.531 -19.068 22.102 1.00 43.22 C ATOM 0 H ILE A 80 -7.691 -21.773 24.943 1.00 63.34 H new ATOM 0 HA ILE A 80 -7.640 -19.184 26.261 1.00 54.41 H new ATOM 0 HB ILE A 80 -9.635 -20.367 24.267 1.00 42.10 H new ATOM 0 HG12 ILE A 80 -7.252 -18.556 23.734 1.00 35.02 H new ATOM 0 HG13 ILE A 80 -7.309 -20.270 23.376 1.00 35.02 H new ATOM 0 HG21 ILE A 80 -10.254 -18.011 23.835 1.00 42.22 H new ATOM 0 HG22 ILE A 80 -10.545 -18.470 25.530 1.00 42.22 H new ATOM 0 HG23 ILE A 80 -9.123 -17.488 25.106 1.00 42.22 H new ATOM 0 HD11 ILE A 80 -7.738 -18.941 21.365 1.00 43.22 H new ATOM 0 HD12 ILE A 80 -9.177 -19.893 21.801 1.00 43.22 H new ATOM 0 HD13 ILE A 80 -9.119 -18.152 22.165 1.00 43.22 H new ATOM 1253 N LEU A 81 -9.306 -19.663 28.080 1.00 1.21 N ATOM 1254 CA LEU A 81 -10.380 -19.752 29.071 1.00 52.44 C ATOM 1255 C LEU A 81 -11.430 -18.669 28.790 1.00 40.42 C ATOM 1256 O LEU A 81 -11.102 -17.484 28.723 1.00 11.30 O ATOM 1257 CB LEU A 81 -9.825 -19.597 30.501 1.00 30.10 C ATOM 1258 CG LEU A 81 -8.940 -20.752 31.015 1.00 53.41 C ATOM 1259 CD1 LEU A 81 -9.693 -22.079 30.968 1.00 54.11 C ATOM 1260 CD2 LEU A 81 -7.632 -20.843 30.229 1.00 4.55 C ATOM 0 H LEU A 81 -8.524 -19.071 28.360 1.00 1.21 H new ATOM 0 HA LEU A 81 -10.844 -20.735 28.994 1.00 52.44 H new ATOM 0 HB2 LEU A 81 -9.246 -18.675 30.546 1.00 30.10 H new ATOM 0 HB3 LEU A 81 -10.666 -19.479 31.184 1.00 30.10 H new ATOM 0 HG LEU A 81 -8.690 -20.538 32.054 1.00 53.41 H new ATOM 0 HD11 LEU A 81 -9.048 -22.877 31.335 1.00 54.11 H new ATOM 0 HD12 LEU A 81 -10.583 -22.015 31.594 1.00 54.11 H new ATOM 0 HD13 LEU A 81 -9.987 -22.294 29.941 1.00 54.11 H new ATOM 0 HD21 LEU A 81 -7.032 -21.666 30.616 1.00 4.55 H new ATOM 0 HD22 LEU A 81 -7.852 -21.018 29.176 1.00 4.55 H new ATOM 0 HD23 LEU A 81 -7.079 -19.910 30.334 1.00 4.55 H new ATOM 1272 N ARG A 82 -12.685 -19.073 28.623 1.00 25.21 N ATOM 1273 CA ARG A 82 -13.752 -18.143 28.229 1.00 70.40 C ATOM 1274 C ARG A 82 -14.696 -17.819 29.396 1.00 11.24 C ATOM 1275 O ARG A 82 -14.985 -18.674 30.237 1.00 44.12 O ATOM 1276 CB ARG A 82 -14.548 -18.740 27.068 1.00 23.21 C ATOM 1277 CG ARG A 82 -13.690 -19.102 25.861 1.00 63.35 C ATOM 1278 CD ARG A 82 -14.522 -19.742 24.759 1.00 24.13 C ATOM 1279 NE ARG A 82 -15.584 -18.858 24.294 1.00 62.03 N ATOM 1280 CZ ARG A 82 -16.422 -19.158 23.350 1.00 3.21 C ATOM 1281 NH1 ARG A 82 -16.398 -20.325 22.785 1.00 74.40 N ATOM 1282 NH2 ARG A 82 -17.309 -18.293 22.992 1.00 34.41 N ATOM 0 H ARG A 82 -12.994 -20.036 28.753 1.00 25.21 H new ATOM 0 HA ARG A 82 -13.282 -17.209 27.920 1.00 70.40 H new ATOM 0 HB2 ARG A 82 -15.066 -19.634 27.416 1.00 23.21 H new ATOM 0 HB3 ARG A 82 -15.313 -18.028 26.759 1.00 23.21 H new ATOM 0 HG2 ARG A 82 -13.203 -18.206 25.477 1.00 63.35 H new ATOM 0 HG3 ARG A 82 -12.900 -19.788 26.167 1.00 63.35 H new ATOM 0 HD2 ARG A 82 -13.875 -20.003 23.922 1.00 24.13 H new ATOM 0 HD3 ARG A 82 -14.958 -20.671 25.127 1.00 24.13 H new ATOM 0 HE ARG A 82 -15.674 -17.945 24.740 1.00 62.03 H new ATOM 0 HH11 ARG A 82 -15.714 -21.021 23.082 1.00 74.40 H new ATOM 0 HH12 ARG A 82 -17.063 -20.547 22.044 1.00 74.40 H new ATOM 0 HH21 ARG A 82 -17.347 -17.382 23.450 1.00 34.41 H new ATOM 0 HH22 ARG A 82 -17.972 -18.519 22.251 1.00 34.41 H new ATOM 1296 N THR A 83 -15.200 -16.585 29.418 1.00 23.44 N ATOM 1297 CA THR A 83 -16.077 -16.118 30.504 1.00 50.11 C ATOM 1298 C THR A 83 -17.424 -16.858 30.527 1.00 23.14 C ATOM 1299 O THR A 83 -18.120 -16.860 31.544 1.00 72.15 O ATOM 1300 CB THR A 83 -16.348 -14.598 30.402 1.00 4.21 C ATOM 1301 OG1 THR A 83 -16.973 -14.293 29.147 1.00 64.51 O ATOM 1302 CG2 THR A 83 -15.055 -13.799 30.538 1.00 32.41 C ATOM 0 H THR A 83 -15.019 -15.886 28.697 1.00 23.44 H new ATOM 0 HA THR A 83 -15.542 -16.333 31.429 1.00 50.11 H new ATOM 0 HB THR A 83 -17.014 -14.319 31.219 1.00 4.21 H new ATOM 0 HG1 THR A 83 -16.306 -14.336 28.430 1.00 64.51 H new ATOM 0 HG21 THR A 83 -15.276 -12.734 30.462 1.00 32.41 H new ATOM 0 HG22 THR A 83 -14.599 -14.007 31.506 1.00 32.41 H new ATOM 0 HG23 THR A 83 -14.366 -14.084 29.743 1.00 32.41 H new ATOM 1310 N ASP A 84 -17.796 -17.479 29.410 1.00 62.04 N ATOM 1311 CA ASP A 84 -19.035 -18.264 29.346 1.00 42.12 C ATOM 1312 C ASP A 84 -18.886 -19.622 30.056 1.00 24.34 C ATOM 1313 O ASP A 84 -19.872 -20.204 30.513 1.00 71.42 O ATOM 1314 CB ASP A 84 -19.466 -18.471 27.890 1.00 73.51 C ATOM 1315 CG ASP A 84 -18.390 -19.136 27.051 1.00 61.45 C ATOM 1316 OD1 ASP A 84 -18.277 -20.380 27.102 1.00 31.12 O ATOM 1317 OD2 ASP A 84 -17.663 -18.419 26.339 1.00 62.31 O ATOM 0 H ASP A 84 -17.264 -17.457 28.540 1.00 62.04 H new ATOM 0 HA ASP A 84 -19.807 -17.699 29.868 1.00 42.12 H new ATOM 0 HB2 ASP A 84 -20.369 -19.081 27.866 1.00 73.51 H new ATOM 0 HB3 ASP A 84 -19.721 -17.507 27.450 1.00 73.51 H new ATOM 1322 N GLY A 85 -17.651 -20.122 30.146 1.00 23.55 N ATOM 1323 CA GLY A 85 -17.399 -21.394 30.824 1.00 64.54 C ATOM 1324 C GLY A 85 -16.677 -22.428 29.957 1.00 22.44 C ATOM 1325 O GLY A 85 -16.259 -23.477 30.454 1.00 24.25 O ATOM 0 H GLY A 85 -16.820 -19.671 29.763 1.00 23.55 H new ATOM 0 HA2 GLY A 85 -16.805 -21.206 31.718 1.00 64.54 H new ATOM 0 HA3 GLY A 85 -18.350 -21.812 31.155 1.00 64.54 H new ATOM 1329 N SER A 86 -16.530 -22.147 28.664 1.00 12.35 N ATOM 1330 CA SER A 86 -15.849 -23.073 27.737 1.00 63.34 C ATOM 1331 C SER A 86 -14.337 -22.803 27.666 1.00 51.04 C ATOM 1332 O SER A 86 -13.885 -21.679 27.891 1.00 42.20 O ATOM 1333 CB SER A 86 -16.447 -22.955 26.327 1.00 65.23 C ATOM 1334 OG SER A 86 -17.853 -23.173 26.334 1.00 21.12 O ATOM 0 H SER A 86 -16.869 -21.290 28.227 1.00 12.35 H new ATOM 0 HA SER A 86 -16.001 -24.081 28.122 1.00 63.34 H new ATOM 0 HB2 SER A 86 -16.234 -21.966 25.922 1.00 65.23 H new ATOM 0 HB3 SER A 86 -15.969 -23.679 25.667 1.00 65.23 H new ATOM 0 HG SER A 86 -18.312 -22.338 26.564 1.00 21.12 H new ATOM 1340 N GLU A 87 -13.559 -23.841 27.355 1.00 64.31 N ATOM 1341 CA GLU A 87 -12.110 -23.695 27.150 1.00 64.34 C ATOM 1342 C GLU A 87 -11.625 -24.515 25.943 1.00 4.14 C ATOM 1343 O GLU A 87 -12.089 -25.630 25.706 1.00 22.53 O ATOM 1344 CB GLU A 87 -11.326 -24.113 28.409 1.00 23.12 C ATOM 1345 CG GLU A 87 -11.448 -25.592 28.786 1.00 74.42 C ATOM 1346 CD GLU A 87 -12.805 -25.959 29.371 1.00 22.14 C ATOM 1347 OE1 GLU A 87 -13.730 -26.291 28.598 1.00 62.24 O ATOM 1348 OE2 GLU A 87 -12.952 -25.915 30.615 1.00 62.15 O ATOM 0 H GLU A 87 -13.905 -24.794 27.239 1.00 64.31 H new ATOM 0 HA GLU A 87 -11.922 -22.640 26.950 1.00 64.34 H new ATOM 0 HB2 GLU A 87 -10.273 -23.878 28.257 1.00 23.12 H new ATOM 0 HB3 GLU A 87 -11.669 -23.510 29.249 1.00 23.12 H new ATOM 0 HG2 GLU A 87 -11.266 -26.201 27.900 1.00 74.42 H new ATOM 0 HG3 GLU A 87 -10.670 -25.840 29.508 1.00 74.42 H new ATOM 1355 N GLU A 88 -10.692 -23.950 25.183 1.00 11.30 N ATOM 1356 CA GLU A 88 -10.099 -24.633 24.020 1.00 5.20 C ATOM 1357 C GLU A 88 -8.621 -24.258 23.850 1.00 24.55 C ATOM 1358 O GLU A 88 -8.062 -23.511 24.648 1.00 3.21 O ATOM 1359 CB GLU A 88 -10.865 -24.282 22.730 1.00 31.35 C ATOM 1360 CG GLU A 88 -12.222 -24.966 22.589 1.00 15.52 C ATOM 1361 CD GLU A 88 -12.920 -24.609 21.287 1.00 73.43 C ATOM 1362 OE1 GLU A 88 -12.342 -24.857 20.209 1.00 23.54 O ATOM 1363 OE2 GLU A 88 -14.044 -24.067 21.330 1.00 72.15 O ATOM 0 H GLU A 88 -10.323 -23.014 25.347 1.00 11.30 H new ATOM 0 HA GLU A 88 -10.172 -25.705 24.202 1.00 5.20 H new ATOM 0 HB2 GLU A 88 -11.012 -23.203 22.693 1.00 31.35 H new ATOM 0 HB3 GLU A 88 -10.247 -24.549 21.873 1.00 31.35 H new ATOM 0 HG2 GLU A 88 -12.088 -26.046 22.642 1.00 15.52 H new ATOM 0 HG3 GLU A 88 -12.857 -24.682 23.428 1.00 15.52 H new ATOM 1370 N ARG A 89 -7.993 -24.794 22.808 1.00 14.34 N ATOM 1371 CA ARG A 89 -6.618 -24.422 22.445 1.00 0.32 C ATOM 1372 C ARG A 89 -6.530 -24.055 20.953 1.00 71.24 C ATOM 1373 O ARG A 89 -7.055 -24.768 20.095 1.00 63.43 O ATOM 1374 CB ARG A 89 -5.647 -25.568 22.772 1.00 12.45 C ATOM 1375 CG ARG A 89 -5.962 -26.874 22.047 1.00 72.02 C ATOM 1376 CD ARG A 89 -4.998 -27.990 22.432 1.00 54.20 C ATOM 1377 NE ARG A 89 -5.308 -29.239 21.739 1.00 11.40 N ATOM 1378 CZ ARG A 89 -5.123 -30.427 22.246 1.00 33.51 C ATOM 1379 NH1 ARG A 89 -4.661 -30.566 23.444 1.00 75.10 N ATOM 1380 NH2 ARG A 89 -5.418 -31.475 21.550 1.00 13.10 N ATOM 0 H ARG A 89 -8.412 -25.492 22.193 1.00 14.34 H new ATOM 0 HA ARG A 89 -6.334 -23.548 23.031 1.00 0.32 H new ATOM 0 HB2 ARG A 89 -4.634 -25.257 22.515 1.00 12.45 H new ATOM 0 HB3 ARG A 89 -5.662 -25.748 23.847 1.00 12.45 H new ATOM 0 HG2 ARG A 89 -6.982 -27.180 22.279 1.00 72.02 H new ATOM 0 HG3 ARG A 89 -5.916 -26.711 20.970 1.00 72.02 H new ATOM 0 HD2 ARG A 89 -3.978 -27.687 22.196 1.00 54.20 H new ATOM 0 HD3 ARG A 89 -5.041 -28.152 23.509 1.00 54.20 H new ATOM 0 HE ARG A 89 -5.694 -29.178 20.797 1.00 11.40 H new ATOM 0 HH11 ARG A 89 -4.437 -29.743 24.003 1.00 75.10 H new ATOM 0 HH12 ARG A 89 -4.520 -31.499 23.831 1.00 75.10 H new ATOM 0 HH21 ARG A 89 -5.794 -31.372 20.607 1.00 13.10 H new ATOM 0 HH22 ARG A 89 -5.275 -32.405 21.943 1.00 13.10 H new ATOM 1394 N PHE A 90 -5.868 -22.939 20.645 1.00 53.33 N ATOM 1395 CA PHE A 90 -5.763 -22.464 19.257 1.00 73.31 C ATOM 1396 C PHE A 90 -4.348 -22.668 18.691 1.00 45.24 C ATOM 1397 O PHE A 90 -3.357 -22.213 19.269 1.00 73.14 O ATOM 1398 CB PHE A 90 -6.177 -20.982 19.158 1.00 53.53 C ATOM 1399 CG PHE A 90 -5.254 -20.014 19.870 1.00 62.13 C ATOM 1400 CD1 PHE A 90 -5.204 -19.964 21.257 1.00 55.35 C ATOM 1401 CD2 PHE A 90 -4.447 -19.143 19.147 1.00 60.31 C ATOM 1402 CE1 PHE A 90 -4.369 -19.072 21.904 1.00 64.41 C ATOM 1403 CE2 PHE A 90 -3.611 -18.251 19.792 1.00 14.44 C ATOM 1404 CZ PHE A 90 -3.572 -18.216 21.171 1.00 70.20 C ATOM 0 H PHE A 90 -5.398 -22.348 21.330 1.00 53.33 H new ATOM 0 HA PHE A 90 -6.448 -23.060 18.654 1.00 73.31 H new ATOM 0 HB2 PHE A 90 -6.230 -20.704 18.105 1.00 53.53 H new ATOM 0 HB3 PHE A 90 -7.181 -20.872 19.567 1.00 53.53 H new ATOM 0 HD1 PHE A 90 -5.825 -20.630 21.837 1.00 55.35 H new ATOM 0 HD2 PHE A 90 -4.474 -19.164 18.068 1.00 60.31 H new ATOM 0 HE1 PHE A 90 -4.340 -19.045 22.983 1.00 64.41 H new ATOM 0 HE2 PHE A 90 -2.988 -17.582 19.217 1.00 14.44 H new ATOM 0 HZ PHE A 90 -2.919 -17.520 21.676 1.00 70.20 H new ATOM 1414 N SER A 91 -4.258 -23.357 17.555 1.00 72.13 N ATOM 1415 CA SER A 91 -2.965 -23.611 16.902 1.00 34.31 C ATOM 1416 C SER A 91 -2.427 -22.348 16.216 1.00 20.53 C ATOM 1417 O SER A 91 -2.508 -22.204 14.995 1.00 44.21 O ATOM 1418 CB SER A 91 -3.081 -24.758 15.880 1.00 41.10 C ATOM 1419 OG SER A 91 -3.443 -25.977 16.513 1.00 10.31 O ATOM 0 H SER A 91 -5.061 -23.751 17.064 1.00 72.13 H new ATOM 0 HA SER A 91 -2.260 -23.904 17.680 1.00 34.31 H new ATOM 0 HB2 SER A 91 -3.825 -24.502 15.126 1.00 41.10 H new ATOM 0 HB3 SER A 91 -2.131 -24.883 15.361 1.00 41.10 H new ATOM 0 HG SER A 91 -3.511 -26.687 15.841 1.00 10.31 H new ATOM 1425 N TYR A 92 -1.889 -21.426 17.015 1.00 71.02 N ATOM 1426 CA TYR A 92 -1.333 -20.167 16.497 1.00 14.53 C ATOM 1427 C TYR A 92 -0.260 -20.412 15.417 1.00 23.02 C ATOM 1428 O TYR A 92 -0.165 -19.672 14.436 1.00 42.34 O ATOM 1429 CB TYR A 92 -0.748 -19.335 17.651 1.00 43.31 C ATOM 1430 CG TYR A 92 0.417 -19.993 18.378 1.00 43.11 C ATOM 1431 CD1 TYR A 92 0.205 -20.991 19.329 1.00 52.51 C ATOM 1432 CD2 TYR A 92 1.730 -19.609 18.117 1.00 11.32 C ATOM 1433 CE1 TYR A 92 1.264 -21.580 19.992 1.00 75.20 C ATOM 1434 CE2 TYR A 92 2.791 -20.196 18.776 1.00 21.35 C ATOM 1435 CZ TYR A 92 2.553 -21.181 19.710 1.00 72.15 C ATOM 1436 OH TYR A 92 3.610 -21.768 20.368 1.00 64.43 O ATOM 0 H TYR A 92 -1.825 -21.525 18.028 1.00 71.02 H new ATOM 0 HA TYR A 92 -2.147 -19.614 16.028 1.00 14.53 H new ATOM 0 HB2 TYR A 92 -0.418 -18.374 17.258 1.00 43.31 H new ATOM 0 HB3 TYR A 92 -1.540 -19.130 18.371 1.00 43.31 H new ATOM 0 HD1 TYR A 92 -0.803 -21.308 19.551 1.00 52.51 H new ATOM 0 HD2 TYR A 92 1.921 -18.838 17.386 1.00 11.32 H new ATOM 0 HE1 TYR A 92 1.083 -22.350 20.728 1.00 75.20 H new ATOM 0 HE2 TYR A 92 3.803 -19.885 18.561 1.00 21.35 H new ATOM 0 HH TYR A 92 4.451 -21.375 20.053 1.00 64.43 H new ATOM 1446 N LYS A 93 0.527 -21.469 15.600 1.00 61.30 N ATOM 1447 CA LYS A 93 1.611 -21.816 14.669 1.00 2.35 C ATOM 1448 C LYS A 93 1.090 -22.230 13.276 1.00 2.12 C ATOM 1449 O LYS A 93 1.867 -22.331 12.324 1.00 64.10 O ATOM 1450 CB LYS A 93 2.472 -22.938 15.269 1.00 11.01 C ATOM 1451 CG LYS A 93 1.680 -24.182 15.667 1.00 4.25 C ATOM 1452 CD LYS A 93 2.585 -25.263 16.256 1.00 23.11 C ATOM 1453 CE LYS A 93 1.793 -26.486 16.712 1.00 3.02 C ATOM 1454 NZ LYS A 93 2.679 -27.574 17.211 1.00 52.00 N ATOM 0 H LYS A 93 0.437 -22.108 16.390 1.00 61.30 H new ATOM 0 HA LYS A 93 2.215 -20.920 14.526 1.00 2.35 H new ATOM 0 HB2 LYS A 93 3.236 -23.222 14.546 1.00 11.01 H new ATOM 0 HB3 LYS A 93 2.991 -22.554 16.147 1.00 11.01 H new ATOM 0 HG2 LYS A 93 0.916 -23.910 16.396 1.00 4.25 H new ATOM 0 HG3 LYS A 93 1.161 -24.578 14.794 1.00 4.25 H new ATOM 0 HD2 LYS A 93 3.321 -25.565 15.511 1.00 23.11 H new ATOM 0 HD3 LYS A 93 3.137 -24.853 17.102 1.00 23.11 H new ATOM 0 HE2 LYS A 93 1.099 -26.194 17.500 1.00 3.02 H new ATOM 0 HE3 LYS A 93 1.194 -26.859 15.882 1.00 3.02 H new ATOM 0 HZ1 LYS A 93 2.099 -28.384 17.510 1.00 52.00 H new ATOM 0 HZ2 LYS A 93 3.325 -27.871 16.452 1.00 52.00 H new ATOM 0 HZ3 LYS A 93 3.233 -27.227 18.020 1.00 52.00 H new ATOM 1468 N LYS A 94 -0.218 -22.471 13.159 1.00 64.42 N ATOM 1469 CA LYS A 94 -0.838 -22.827 11.870 1.00 54.33 C ATOM 1470 C LYS A 94 -1.723 -21.685 11.340 1.00 33.23 C ATOM 1471 O LYS A 94 -2.616 -21.894 10.516 1.00 32.00 O ATOM 1472 CB LYS A 94 -1.660 -24.119 12.018 1.00 62.22 C ATOM 1473 CG LYS A 94 -0.823 -25.356 12.343 1.00 40.25 C ATOM 1474 CD LYS A 94 0.254 -25.600 11.291 1.00 74.15 C ATOM 1475 CE LYS A 94 1.036 -26.884 11.556 1.00 20.32 C ATOM 1476 NZ LYS A 94 0.180 -28.093 11.440 1.00 43.03 N ATOM 0 H LYS A 94 -0.873 -22.427 13.939 1.00 64.42 H new ATOM 0 HA LYS A 94 -0.041 -22.993 11.145 1.00 54.33 H new ATOM 0 HB2 LYS A 94 -2.401 -23.978 12.805 1.00 62.22 H new ATOM 0 HB3 LYS A 94 -2.208 -24.297 11.093 1.00 62.22 H new ATOM 0 HG2 LYS A 94 -0.356 -25.233 13.320 1.00 40.25 H new ATOM 0 HG3 LYS A 94 -1.473 -26.229 12.408 1.00 40.25 H new ATOM 0 HD2 LYS A 94 -0.208 -25.655 10.305 1.00 74.15 H new ATOM 0 HD3 LYS A 94 0.942 -24.754 11.274 1.00 74.15 H new ATOM 0 HE2 LYS A 94 1.863 -26.957 10.850 1.00 20.32 H new ATOM 0 HE3 LYS A 94 1.472 -26.843 12.554 1.00 20.32 H new ATOM 0 HZ1 LYS A 94 0.780 -28.942 11.408 1.00 43.03 H new ATOM 0 HZ2 LYS A 94 -0.455 -28.149 12.262 1.00 43.03 H new ATOM 0 HZ3 LYS A 94 -0.386 -28.036 10.569 1.00 43.03 H new ATOM 1490 N CYS A 95 -1.452 -20.472 11.803 1.00 34.41 N ATOM 1491 CA CYS A 95 -2.200 -19.285 11.373 1.00 11.40 C ATOM 1492 C CYS A 95 -1.354 -18.411 10.431 1.00 51.51 C ATOM 1493 O CYS A 95 -1.321 -17.187 10.561 1.00 74.30 O ATOM 1494 CB CYS A 95 -2.621 -18.469 12.603 1.00 70.11 C ATOM 1495 SG CYS A 95 -3.591 -16.989 12.224 1.00 32.21 S ATOM 0 H CYS A 95 -0.715 -20.278 12.481 1.00 34.41 H new ATOM 0 HA CYS A 95 -3.086 -19.613 10.829 1.00 11.40 H new ATOM 0 HB2 CYS A 95 -3.202 -19.109 13.267 1.00 70.11 H new ATOM 0 HB3 CYS A 95 -1.726 -18.172 13.150 1.00 70.11 H new ATOM 0 HG CYS A 95 -3.033 -16.344 11.243 1.00 32.21 H new ATOM 1501 N VAL A 96 -0.672 -19.038 9.470 1.00 30.11 N ATOM 1502 CA VAL A 96 0.230 -18.306 8.567 1.00 3.21 C ATOM 1503 C VAL A 96 -0.465 -17.900 7.251 1.00 33.34 C ATOM 1504 O VAL A 96 -1.063 -16.825 7.174 1.00 12.15 O ATOM 1505 CB VAL A 96 1.516 -19.121 8.262 1.00 61.44 C ATOM 1506 CG1 VAL A 96 2.484 -18.315 7.391 1.00 43.25 C ATOM 1507 CG2 VAL A 96 2.191 -19.559 9.561 1.00 33.33 C ATOM 0 H VAL A 96 -0.723 -20.042 9.295 1.00 30.11 H new ATOM 0 HA VAL A 96 0.513 -17.393 9.091 1.00 3.21 H new ATOM 0 HB VAL A 96 1.229 -20.013 7.705 1.00 61.44 H new ATOM 0 HG11 VAL A 96 3.376 -18.909 7.193 1.00 43.25 H new ATOM 0 HG12 VAL A 96 2.000 -18.061 6.448 1.00 43.25 H new ATOM 0 HG13 VAL A 96 2.766 -17.400 7.912 1.00 43.25 H new ATOM 0 HG21 VAL A 96 3.091 -20.129 9.329 1.00 33.33 H new ATOM 0 HG22 VAL A 96 2.459 -18.679 10.146 1.00 33.33 H new ATOM 0 HG23 VAL A 96 1.505 -20.181 10.136 1.00 33.33 H new ATOM 1517 N LEU A 97 -0.399 -18.764 6.229 1.00 30.21 N ATOM 1518 CA LEU A 97 -0.924 -18.445 4.886 1.00 74.22 C ATOM 1519 C LEU A 97 -1.285 -19.713 4.096 1.00 35.14 C ATOM 1520 O LEU A 97 -0.738 -20.788 4.344 1.00 42.05 O ATOM 1521 CB LEU A 97 0.115 -17.644 4.074 1.00 12.30 C ATOM 1522 CG LEU A 97 0.321 -16.182 4.498 1.00 71.23 C ATOM 1523 CD1 LEU A 97 1.477 -15.559 3.728 1.00 43.33 C ATOM 1524 CD2 LEU A 97 -0.960 -15.381 4.290 1.00 33.51 C ATOM 0 H LEU A 97 0.014 -19.694 6.303 1.00 30.21 H new ATOM 0 HA LEU A 97 -1.826 -17.852 5.035 1.00 74.22 H new ATOM 0 HB2 LEU A 97 1.073 -18.159 4.140 1.00 12.30 H new ATOM 0 HB3 LEU A 97 -0.183 -17.659 3.026 1.00 12.30 H new ATOM 0 HG LEU A 97 0.569 -16.162 5.559 1.00 71.23 H new ATOM 0 HD11 LEU A 97 1.607 -14.523 4.042 1.00 43.33 H new ATOM 0 HD12 LEU A 97 2.391 -16.117 3.930 1.00 43.33 H new ATOM 0 HD13 LEU A 97 1.261 -15.590 2.660 1.00 43.33 H new ATOM 0 HD21 LEU A 97 -0.797 -14.348 4.595 1.00 33.51 H new ATOM 0 HD22 LEU A 97 -1.239 -15.408 3.237 1.00 33.51 H new ATOM 0 HD23 LEU A 97 -1.761 -15.814 4.889 1.00 33.51 H new ATOM 1536 N GLU A 98 -2.189 -19.570 3.123 1.00 45.40 N ATOM 1537 CA GLU A 98 -2.533 -20.673 2.219 1.00 65.45 C ATOM 1538 C GLU A 98 -1.624 -20.680 0.980 1.00 42.35 C ATOM 1539 O GLU A 98 -1.327 -19.630 0.406 1.00 23.53 O ATOM 1540 CB GLU A 98 -4.000 -20.583 1.772 1.00 71.41 C ATOM 1541 CG GLU A 98 -5.011 -20.789 2.892 1.00 51.32 C ATOM 1542 CD GLU A 98 -6.444 -20.795 2.382 1.00 20.10 C ATOM 1543 OE1 GLU A 98 -7.038 -19.704 2.242 1.00 64.23 O ATOM 1544 OE2 GLU A 98 -6.976 -21.889 2.097 1.00 33.41 O ATOM 0 H GLU A 98 -2.695 -18.704 2.941 1.00 45.40 H new ATOM 0 HA GLU A 98 -2.385 -21.600 2.772 1.00 65.45 H new ATOM 0 HB2 GLU A 98 -4.170 -19.606 1.320 1.00 71.41 H new ATOM 0 HB3 GLU A 98 -4.178 -21.328 0.997 1.00 71.41 H new ATOM 0 HG2 GLU A 98 -4.803 -21.732 3.397 1.00 51.32 H new ATOM 0 HG3 GLU A 98 -4.895 -19.998 3.633 1.00 51.32 H new ATOM 1551 N HIS A 99 -1.192 -21.871 0.574 1.00 70.14 N ATOM 1552 CA HIS A 99 -0.339 -22.036 -0.609 1.00 24.23 C ATOM 1553 C HIS A 99 -0.231 -23.517 -0.999 1.00 64.30 C ATOM 1554 O HIS A 99 -0.037 -24.374 -0.137 1.00 22.43 O ATOM 1555 CB HIS A 99 1.060 -21.452 -0.355 1.00 35.04 C ATOM 1556 CG HIS A 99 1.773 -22.060 0.821 1.00 32.25 C ATOM 1557 ND1 HIS A 99 2.737 -23.035 0.696 1.00 61.21 N ATOM 1558 CD2 HIS A 99 1.659 -21.827 2.153 1.00 63.31 C ATOM 1559 CE1 HIS A 99 3.181 -23.373 1.888 1.00 3.21 C ATOM 1560 NE2 HIS A 99 2.548 -22.657 2.791 1.00 45.10 N ATOM 0 H HIS A 99 -1.419 -22.745 1.048 1.00 70.14 H new ATOM 0 HA HIS A 99 -0.799 -21.492 -1.434 1.00 24.23 H new ATOM 0 HB2 HIS A 99 1.669 -21.593 -1.248 1.00 35.04 H new ATOM 0 HB3 HIS A 99 0.970 -20.377 -0.196 1.00 35.04 H new ATOM 0 HD2 HIS A 99 0.993 -21.120 2.624 1.00 63.31 H new ATOM 0 HE1 HIS A 99 3.939 -24.115 2.091 1.00 3.21 H new ATOM 0 HE2 HIS A 99 2.693 -22.709 3.799 1.00 45.10 H new ATOM 1569 N HIS A 100 -0.366 -23.816 -2.293 1.00 44.50 N ATOM 1570 CA HIS A 100 -0.299 -25.201 -2.777 1.00 2.51 C ATOM 1571 C HIS A 100 1.064 -25.846 -2.453 1.00 4.12 C ATOM 1572 O HIS A 100 2.091 -25.480 -3.025 1.00 43.41 O ATOM 1573 CB HIS A 100 -0.571 -25.256 -4.290 1.00 54.33 C ATOM 1574 CG HIS A 100 -0.625 -26.650 -4.852 1.00 44.10 C ATOM 1575 ND1 HIS A 100 -0.270 -26.957 -6.147 1.00 63.32 N ATOM 1576 CD2 HIS A 100 -1.012 -27.823 -4.291 1.00 51.43 C ATOM 1577 CE1 HIS A 100 -0.434 -28.246 -6.357 1.00 4.44 C ATOM 1578 NE2 HIS A 100 -0.881 -28.796 -5.250 1.00 52.31 N ATOM 0 H HIS A 100 -0.522 -23.122 -3.024 1.00 44.50 H new ATOM 0 HA HIS A 100 -1.070 -25.771 -2.259 1.00 2.51 H new ATOM 0 HB2 HIS A 100 -1.517 -24.755 -4.497 1.00 54.33 H new ATOM 0 HB3 HIS A 100 0.207 -24.696 -4.809 1.00 54.33 H new ATOM 0 HD2 HIS A 100 -1.359 -27.965 -3.278 1.00 51.43 H new ATOM 0 HE1 HIS A 100 -0.235 -28.765 -7.283 1.00 4.44 H new ATOM 0 HE2 HIS A 100 -1.096 -29.785 -5.124 1.00 52.31 H new ATOM 1587 N HIS A 101 1.054 -26.804 -1.524 1.00 13.41 N ATOM 1588 CA HIS A 101 2.275 -27.495 -1.083 1.00 63.35 C ATOM 1589 C HIS A 101 3.056 -28.127 -2.248 1.00 20.13 C ATOM 1590 O HIS A 101 2.516 -28.348 -3.336 1.00 1.01 O ATOM 1591 CB HIS A 101 1.923 -28.583 -0.059 1.00 20.22 C ATOM 1592 CG HIS A 101 0.999 -29.641 -0.592 1.00 64.40 C ATOM 1593 ND1 HIS A 101 1.443 -30.820 -1.156 1.00 13.20 N ATOM 1594 CD2 HIS A 101 -0.353 -29.695 -0.648 1.00 30.42 C ATOM 1595 CE1 HIS A 101 0.408 -31.543 -1.534 1.00 53.24 C ATOM 1596 NE2 HIS A 101 -0.691 -30.886 -1.238 1.00 3.35 N ATOM 0 H HIS A 101 0.206 -27.124 -1.056 1.00 13.41 H new ATOM 0 HA HIS A 101 2.917 -26.740 -0.629 1.00 63.35 H new ATOM 0 HB2 HIS A 101 2.843 -29.057 0.285 1.00 20.22 H new ATOM 0 HB3 HIS A 101 1.461 -28.115 0.810 1.00 20.22 H new ATOM 0 HD1 HIS A 101 2.421 -31.090 -1.264 1.00 13.20 H new ATOM 0 HD2 HIS A 101 -1.039 -28.940 -0.293 1.00 30.42 H new ATOM 0 HE1 HIS A 101 0.455 -32.513 -2.007 1.00 53.24 H new ATOM 1605 N HIS A 102 4.332 -28.417 -2.000 1.00 14.44 N ATOM 1606 CA HIS A 102 5.193 -29.091 -2.982 1.00 22.11 C ATOM 1607 C HIS A 102 4.554 -30.389 -3.507 1.00 71.22 C ATOM 1608 O HIS A 102 3.741 -31.015 -2.819 1.00 54.53 O ATOM 1609 CB HIS A 102 6.548 -29.427 -2.342 1.00 0.13 C ATOM 1610 CG HIS A 102 6.455 -30.462 -1.254 1.00 3.34 C ATOM 1611 ND1 HIS A 102 6.758 -31.792 -1.450 1.00 64.31 N ATOM 1612 CD2 HIS A 102 6.075 -30.359 0.041 1.00 65.41 C ATOM 1613 CE1 HIS A 102 6.566 -32.457 -0.329 1.00 71.43 C ATOM 1614 NE2 HIS A 102 6.154 -31.613 0.591 1.00 53.54 N ATOM 0 H HIS A 102 4.800 -28.195 -1.121 1.00 14.44 H new ATOM 0 HA HIS A 102 5.327 -28.409 -3.822 1.00 22.11 H new ATOM 0 HB2 HIS A 102 7.228 -29.784 -3.115 1.00 0.13 H new ATOM 0 HB3 HIS A 102 6.983 -28.516 -1.931 1.00 0.13 H new ATOM 0 HD1 HIS A 102 7.081 -32.199 -2.328 1.00 64.31 H new ATOM 0 HD2 HIS A 102 5.767 -29.456 0.548 1.00 65.41 H new ATOM 0 HE1 HIS A 102 6.721 -33.517 -0.189 1.00 71.43 H new ATOM 1623 N HIS A 103 4.923 -30.791 -4.722 1.00 32.23 N ATOM 1624 CA HIS A 103 4.502 -32.094 -5.254 1.00 32.35 C ATOM 1625 C HIS A 103 5.174 -33.238 -4.473 1.00 50.01 C ATOM 1626 O HIS A 103 6.103 -33.004 -3.699 1.00 30.43 O ATOM 1627 CB HIS A 103 4.810 -32.203 -6.758 1.00 73.40 C ATOM 1628 CG HIS A 103 6.246 -31.961 -7.117 1.00 72.44 C ATOM 1629 ND1 HIS A 103 6.685 -30.784 -7.677 1.00 52.41 N ATOM 1630 CD2 HIS A 103 7.342 -32.752 -7.008 1.00 23.42 C ATOM 1631 CE1 HIS A 103 7.981 -30.856 -7.898 1.00 41.30 C ATOM 1632 NE2 HIS A 103 8.406 -32.038 -7.501 1.00 42.33 N ATOM 0 H HIS A 103 5.506 -30.243 -5.354 1.00 32.23 H new ATOM 0 HA HIS A 103 3.423 -32.179 -5.128 1.00 32.35 H new ATOM 0 HB2 HIS A 103 4.525 -33.197 -7.104 1.00 73.40 H new ATOM 0 HB3 HIS A 103 4.188 -31.488 -7.296 1.00 73.40 H new ATOM 0 HD2 HIS A 103 7.372 -33.755 -6.609 1.00 23.42 H new ATOM 0 HE1 HIS A 103 8.592 -30.078 -8.331 1.00 41.30 H new ATOM 0 HE2 HIS A 103 9.369 -32.369 -7.552 1.00 42.33 H new ATOM 1641 N HIS A 104 4.711 -34.468 -4.693 1.00 51.12 N ATOM 1642 CA HIS A 104 5.168 -35.638 -3.912 1.00 14.32 C ATOM 1643 C HIS A 104 6.708 -35.797 -3.904 1.00 73.31 C ATOM 1644 O HIS A 104 7.341 -35.495 -2.864 1.00 39.61 O ATOM 1645 CB HIS A 104 4.513 -36.919 -4.448 1.00 34.14 C ATOM 1646 CG HIS A 104 3.013 -36.893 -4.409 1.00 30.22 C ATOM 1647 ND1 HIS A 104 2.232 -37.900 -4.926 1.00 63.32 N ATOM 1648 CD2 HIS A 104 2.151 -35.971 -3.920 1.00 13.13 C ATOM 1649 CE1 HIS A 104 0.963 -37.601 -4.759 1.00 10.21 C ATOM 1650 NE2 HIS A 104 0.883 -36.436 -4.152 1.00 10.43 N ATOM 1651 OXT HIS A 104 7.280 -36.228 -4.932 1.00 39.61 O ATOM 0 H HIS A 104 4.017 -34.690 -5.407 1.00 51.12 H new ATOM 0 HA HIS A 104 4.861 -35.465 -2.880 1.00 14.32 H new ATOM 0 HB2 HIS A 104 4.838 -37.080 -5.476 1.00 34.14 H new ATOM 0 HB3 HIS A 104 4.868 -37.769 -3.865 1.00 34.14 H new ATOM 0 HD2 HIS A 104 2.414 -35.042 -3.437 1.00 13.13 H new ATOM 0 HE1 HIS A 104 0.126 -38.210 -5.068 1.00 10.21 H new ATOM 0 HE2 HIS A 104 0.019 -35.958 -3.896 1.00 10.43 H new TER 1660 HIS A 104