USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1031 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 122 GLN : amide:sc= 0.255 K(o=0.34,f=-3.1) USER MOD Set 1.2: A 123 LYS NZ :NH3+ 150:sc= 0.0833 (180deg=-1.93!) USER MOD Set 2.1: A 62 GLN : amide:sc= 0.798 K(o=0.63,f=-7!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -161:sc= -0.165 (180deg=-2!) USER MOD Set 3.1: A 8 ASN : amide:sc= 0 X(o=0.32,f=0.15) USER MOD Set 3.2: A 58 SER OG : rot -99:sc= 0.322 USER MOD Set 4.1: A 10 ASN : amide:sc= -0.0177 K(o=0.065,f=-5.9!) USER MOD Set 4.2: A 11 ASN : amide:sc= 0.248 X(o=0.065,f=-0.41) USER MOD Set 4.3: A 85 GLN : amide:sc= -0.165 X(o=0.065,f=-0.41) USER MOD Set 5.1: A 9 THR OG1 : rot 90:sc= 0.732 USER MOD Set 5.2: A 83 GLN : amide:sc= -0.429 K(o=0.3,f=-6.3!) USER MOD Single : A 2 LYS NZ :NH3+ -126:sc= -2.46! (180deg=-5.26!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0.0484 (180deg=0.0449) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.024) USER MOD Single : A 25 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 27 TYR OH : rot 40:sc= -0.755 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 33 ASN : amide:sc= -0.14 K(o=-0.14,f=-3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 164:sc= -1.42 (180deg=-1.89) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00272) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0963 K(o=-0.096,f=0.98) USER MOD Single : A 61 LYS NZ :NH3+ -133:sc= -0.259 (180deg=-0.89) USER MOD Single : A 67 MET CE :methyl 171:sc= -0.577 (180deg=-0.866) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= 0.179 (180deg=-0.0547) USER MOD Single : A 76 TYR OH : rot -135:sc= 1.18 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0.739 (180deg=0.716) USER MOD Single : A 88 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= 0.477 (180deg=-0.186) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 95:sc= 1.22 USER MOD Single : A 100 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.1!) USER MOD Single : A 102 TYR OH : rot -108:sc= 0.522 USER MOD Single : A 106 LYS NZ :NH3+ -121:sc= -0.398 (180deg=-1.52!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= -0.127 (180deg=-0.381) USER MOD Single : A 121 MET CE :methyl -175:sc= -0.154 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 1.816 6.217 13.220 1.00 52.33 N ATOM 21 CA LYS A 2 2.301 4.982 12.578 1.00 52.14 C ATOM 22 C LYS A 2 2.465 5.238 11.068 1.00 63.21 C ATOM 23 O LYS A 2 1.825 6.142 10.510 1.00 52.35 O ATOM 24 CB LYS A 2 1.351 3.772 12.826 1.00 72.14 C ATOM 25 CG LYS A 2 -0.057 3.902 12.210 1.00 22.13 C ATOM 26 CD LYS A 2 -0.919 2.638 12.409 1.00 32.43 C ATOM 27 CE LYS A 2 -1.196 2.306 13.880 1.00 32.21 C ATOM 28 NZ LYS A 2 -1.897 1.007 14.008 1.00 4.44 N ATOM 0 HA LYS A 2 3.261 4.720 13.023 1.00 52.14 H new ATOM 0 HB2 LYS A 2 1.822 2.874 12.427 1.00 72.14 H new ATOM 0 HB3 LYS A 2 1.247 3.627 13.901 1.00 72.14 H new ATOM 0 HG2 LYS A 2 -0.566 4.756 12.656 1.00 22.13 H new ATOM 0 HG3 LYS A 2 0.036 4.108 11.144 1.00 22.13 H new ATOM 0 HD2 LYS A 2 -1.869 2.771 11.891 1.00 32.43 H new ATOM 0 HD3 LYS A 2 -0.418 1.790 11.943 1.00 32.43 H new ATOM 0 HE2 LYS A 2 -0.257 2.272 14.432 1.00 32.21 H new ATOM 0 HE3 LYS A 2 -1.800 3.095 14.327 1.00 32.21 H new ATOM 0 HZ1 LYS A 2 -2.767 1.135 14.563 1.00 4.44 H new ATOM 0 HZ2 LYS A 2 -2.140 0.649 13.062 1.00 4.44 H new ATOM 0 HZ3 LYS A 2 -1.277 0.324 14.488 1.00 4.44 H new ATOM 42 N ILE A 3 3.326 4.446 10.413 1.00 30.45 N ATOM 43 CA ILE A 3 3.609 4.586 8.975 1.00 24.50 C ATOM 44 C ILE A 3 2.910 3.453 8.215 1.00 3.54 C ATOM 45 O ILE A 3 3.149 2.275 8.506 1.00 32.22 O ATOM 46 CB ILE A 3 5.155 4.549 8.700 1.00 3.22 C ATOM 47 CG1 ILE A 3 5.878 5.649 9.541 1.00 71.22 C ATOM 48 CG2 ILE A 3 5.445 4.715 7.190 1.00 24.04 C ATOM 49 CD1 ILE A 3 7.394 5.629 9.473 1.00 51.22 C ATOM 0 H ILE A 3 3.845 3.692 10.863 1.00 30.45 H new ATOM 0 HA ILE A 3 3.232 5.549 8.632 1.00 24.50 H new ATOM 0 HB ILE A 3 5.543 3.578 9.006 1.00 3.22 H new ATOM 0 HG12 ILE A 3 5.529 6.626 9.207 1.00 71.22 H new ATOM 0 HG13 ILE A 3 5.577 5.542 10.583 1.00 71.22 H new ATOM 0 HG21 ILE A 3 6.521 4.687 7.021 1.00 24.04 H new ATOM 0 HG22 ILE A 3 4.969 3.905 6.637 1.00 24.04 H new ATOM 0 HG23 ILE A 3 5.049 5.671 6.846 1.00 24.04 H new ATOM 0 HD11 ILE A 3 7.797 6.432 10.091 1.00 51.22 H new ATOM 0 HD12 ILE A 3 7.762 4.670 9.838 1.00 51.22 H new ATOM 0 HD13 ILE A 3 7.714 5.771 8.441 1.00 51.22 H new ATOM 61 N LEU A 4 2.045 3.809 7.252 1.00 12.21 N ATOM 62 CA LEU A 4 1.257 2.840 6.482 1.00 45.14 C ATOM 63 C LEU A 4 1.838 2.716 5.075 1.00 22.21 C ATOM 64 O LEU A 4 1.793 3.675 4.298 1.00 4.54 O ATOM 65 CB LEU A 4 -0.230 3.283 6.421 1.00 42.03 C ATOM 66 CG LEU A 4 -0.934 3.482 7.798 1.00 42.52 C ATOM 67 CD1 LEU A 4 -2.413 3.830 7.623 1.00 34.43 C ATOM 68 CD2 LEU A 4 -0.772 2.250 8.701 1.00 1.15 C ATOM 0 H LEU A 4 1.874 4.779 6.987 1.00 12.21 H new ATOM 0 HA LEU A 4 1.302 1.867 6.972 1.00 45.14 H new ATOM 0 HB2 LEU A 4 -0.288 4.219 5.865 1.00 42.03 H new ATOM 0 HB3 LEU A 4 -0.788 2.539 5.852 1.00 42.03 H new ATOM 0 HG LEU A 4 -0.443 4.323 8.288 1.00 42.52 H new ATOM 0 HD11 LEU A 4 -2.874 3.962 8.602 1.00 34.43 H new ATOM 0 HD12 LEU A 4 -2.504 4.754 7.051 1.00 34.43 H new ATOM 0 HD13 LEU A 4 -2.916 3.023 7.091 1.00 34.43 H new ATOM 0 HD21 LEU A 4 -1.276 2.427 9.651 1.00 1.15 H new ATOM 0 HD22 LEU A 4 -1.212 1.381 8.213 1.00 1.15 H new ATOM 0 HD23 LEU A 4 0.287 2.067 8.881 1.00 1.15 H new ATOM 80 N ILE A 5 2.432 1.558 4.762 1.00 61.34 N ATOM 81 CA ILE A 5 2.876 1.254 3.400 1.00 74.32 C ATOM 82 C ILE A 5 1.691 0.589 2.677 1.00 62.13 C ATOM 83 O ILE A 5 1.430 -0.603 2.855 1.00 2.12 O ATOM 84 CB ILE A 5 4.141 0.308 3.383 1.00 24.15 C ATOM 85 CG1 ILE A 5 5.229 0.789 4.404 1.00 24.02 C ATOM 86 CG2 ILE A 5 4.733 0.185 1.952 1.00 61.13 C ATOM 87 CD1 ILE A 5 5.763 2.195 4.187 1.00 34.10 C ATOM 0 H ILE A 5 2.616 0.816 5.437 1.00 61.34 H new ATOM 0 HA ILE A 5 3.180 2.173 2.898 1.00 74.32 H new ATOM 0 HB ILE A 5 3.812 -0.684 3.694 1.00 24.15 H new ATOM 0 HG12 ILE A 5 4.809 0.731 5.408 1.00 24.02 H new ATOM 0 HG13 ILE A 5 6.067 0.093 4.368 1.00 24.02 H new ATOM 0 HG21 ILE A 5 5.602 -0.472 1.973 1.00 61.13 H new ATOM 0 HG22 ILE A 5 3.981 -0.230 1.281 1.00 61.13 H new ATOM 0 HG23 ILE A 5 5.032 1.171 1.596 1.00 61.13 H new ATOM 0 HD11 ILE A 5 6.508 2.423 4.949 1.00 34.10 H new ATOM 0 HD12 ILE A 5 6.221 2.262 3.200 1.00 34.10 H new ATOM 0 HD13 ILE A 5 4.943 2.910 4.256 1.00 34.10 H new ATOM 99 N LEU A 6 0.970 1.375 1.880 1.00 12.22 N ATOM 100 CA LEU A 6 -0.257 0.937 1.208 1.00 72.52 C ATOM 101 C LEU A 6 0.159 0.436 -0.180 1.00 1.03 C ATOM 102 O LEU A 6 0.606 1.220 -0.994 1.00 4.22 O ATOM 103 CB LEU A 6 -1.269 2.136 1.120 1.00 21.35 C ATOM 104 CG LEU A 6 -2.808 1.806 1.106 1.00 35.54 C ATOM 105 CD1 LEU A 6 -3.195 0.745 0.052 1.00 51.25 C ATOM 106 CD2 LEU A 6 -3.296 1.408 2.513 1.00 21.31 C ATOM 0 H LEU A 6 1.221 2.343 1.679 1.00 12.22 H new ATOM 0 HA LEU A 6 -0.761 0.139 1.754 1.00 72.52 H new ATOM 0 HB2 LEU A 6 -1.077 2.797 1.965 1.00 21.35 H new ATOM 0 HB3 LEU A 6 -1.040 2.700 0.216 1.00 21.35 H new ATOM 0 HG LEU A 6 -3.319 2.721 0.808 1.00 35.54 H new ATOM 0 HD11 LEU A 6 -4.269 0.564 0.095 1.00 51.25 H new ATOM 0 HD12 LEU A 6 -2.927 1.105 -0.942 1.00 51.25 H new ATOM 0 HD13 LEU A 6 -2.662 -0.183 0.258 1.00 51.25 H new ATOM 0 HD21 LEU A 6 -4.362 1.185 2.479 1.00 21.31 H new ATOM 0 HD22 LEU A 6 -2.751 0.527 2.851 1.00 21.31 H new ATOM 0 HD23 LEU A 6 -3.120 2.231 3.206 1.00 21.31 H new ATOM 118 N ILE A 7 0.053 -0.872 -0.428 1.00 15.44 N ATOM 119 CA ILE A 7 0.432 -1.480 -1.719 1.00 5.12 C ATOM 120 C ILE A 7 -0.805 -2.095 -2.384 1.00 32.24 C ATOM 121 O ILE A 7 -1.487 -2.921 -1.782 1.00 34.02 O ATOM 122 CB ILE A 7 1.562 -2.565 -1.542 1.00 3.35 C ATOM 123 CG1 ILE A 7 2.830 -1.916 -0.895 1.00 15.54 C ATOM 124 CG2 ILE A 7 1.910 -3.251 -2.894 1.00 43.32 C ATOM 125 CD1 ILE A 7 3.997 -2.857 -0.681 1.00 35.41 C ATOM 0 H ILE A 7 -0.297 -1.544 0.255 1.00 15.44 H new ATOM 0 HA ILE A 7 0.834 -0.695 -2.360 1.00 5.12 H new ATOM 0 HB ILE A 7 1.189 -3.342 -0.875 1.00 3.35 H new ATOM 0 HG12 ILE A 7 3.160 -1.092 -1.527 1.00 15.54 H new ATOM 0 HG13 ILE A 7 2.549 -1.487 0.067 1.00 15.54 H new ATOM 0 HG21 ILE A 7 2.692 -3.993 -2.735 1.00 43.32 H new ATOM 0 HG22 ILE A 7 1.022 -3.740 -3.293 1.00 43.32 H new ATOM 0 HG23 ILE A 7 2.260 -2.501 -3.603 1.00 43.32 H new ATOM 0 HD11 ILE A 7 4.825 -2.312 -0.228 1.00 35.41 H new ATOM 0 HD12 ILE A 7 3.693 -3.669 -0.021 1.00 35.41 H new ATOM 0 HD13 ILE A 7 4.314 -3.268 -1.640 1.00 35.41 H new ATOM 137 N ASN A 8 -1.086 -1.673 -3.624 1.00 3.32 N ATOM 138 CA ASN A 8 -2.158 -2.239 -4.451 1.00 61.53 C ATOM 139 C ASN A 8 -1.509 -2.950 -5.640 1.00 23.21 C ATOM 140 O ASN A 8 -0.873 -2.306 -6.469 1.00 4.32 O ATOM 141 CB ASN A 8 -3.121 -1.124 -4.927 1.00 33.04 C ATOM 142 CG ASN A 8 -4.384 -1.652 -5.625 1.00 52.33 C ATOM 143 OD1 ASN A 8 -5.409 -1.899 -4.983 1.00 51.33 O ATOM 144 ND2 ASN A 8 -4.323 -1.831 -6.936 1.00 54.43 N ATOM 0 H ASN A 8 -0.571 -0.923 -4.084 1.00 3.32 H new ATOM 0 HA ASN A 8 -2.749 -2.950 -3.873 1.00 61.53 H new ATOM 0 HB2 ASN A 8 -3.417 -0.521 -4.068 1.00 33.04 H new ATOM 0 HB3 ASN A 8 -2.588 -0.464 -5.611 1.00 33.04 H new ATOM 0 HD21 ASN A 8 -5.137 -2.182 -7.441 1.00 54.43 H new ATOM 0 HD22 ASN A 8 -3.462 -1.618 -7.440 1.00 54.43 H new ATOM 151 N THR A 9 -1.660 -4.275 -5.712 1.00 23.25 N ATOM 152 CA THR A 9 -1.004 -5.114 -6.739 1.00 4.32 C ATOM 153 C THR A 9 -2.046 -5.917 -7.527 1.00 1.41 C ATOM 154 O THR A 9 -3.097 -6.288 -6.987 1.00 64.15 O ATOM 155 CB THR A 9 0.071 -6.071 -6.112 1.00 41.51 C ATOM 156 OG1 THR A 9 0.614 -6.953 -7.123 1.00 73.01 O ATOM 157 CG2 THR A 9 -0.486 -6.900 -4.943 1.00 71.34 C ATOM 0 H THR A 9 -2.240 -4.805 -5.062 1.00 23.25 H new ATOM 0 HA THR A 9 -0.486 -4.444 -7.425 1.00 4.32 H new ATOM 0 HB THR A 9 0.863 -5.436 -5.714 1.00 41.51 H new ATOM 0 HG1 THR A 9 1.400 -6.535 -7.534 1.00 73.01 H new ATOM 0 HG21 THR A 9 0.299 -7.544 -4.547 1.00 71.34 H new ATOM 0 HG22 THR A 9 -0.837 -6.231 -4.157 1.00 71.34 H new ATOM 0 HG23 THR A 9 -1.315 -7.513 -5.295 1.00 71.34 H new ATOM 165 N ASN A 10 -1.759 -6.147 -8.819 1.00 23.31 N ATOM 166 CA ASN A 10 -2.619 -6.957 -9.698 1.00 70.31 C ATOM 167 C ASN A 10 -2.291 -8.453 -9.532 1.00 31.21 C ATOM 168 O ASN A 10 -3.178 -9.310 -9.570 1.00 22.15 O ATOM 169 CB ASN A 10 -2.435 -6.556 -11.193 1.00 51.42 C ATOM 170 CG ASN A 10 -2.521 -5.052 -11.504 1.00 4.32 C ATOM 171 OD1 ASN A 10 -1.921 -4.587 -12.476 1.00 14.42 O ATOM 172 ND2 ASN A 10 -3.258 -4.285 -10.718 1.00 72.51 N ATOM 0 H ASN A 10 -0.928 -5.779 -9.282 1.00 23.31 H new ATOM 0 HA ASN A 10 -3.654 -6.772 -9.410 1.00 70.31 H new ATOM 0 HB2 ASN A 10 -1.465 -6.921 -11.530 1.00 51.42 H new ATOM 0 HB3 ASN A 10 -3.192 -7.073 -11.783 1.00 51.42 H new ATOM 0 HD21 ASN A 10 -3.339 -3.287 -10.910 1.00 72.51 H new ATOM 0 HD22 ASN A 10 -3.745 -4.692 -9.920 1.00 72.51 H new ATOM 179 N ASN A 11 -0.991 -8.733 -9.346 1.00 62.34 N ATOM 180 CA ASN A 11 -0.422 -10.092 -9.440 1.00 12.34 C ATOM 181 C ASN A 11 -0.257 -10.723 -8.050 1.00 65.33 C ATOM 182 O ASN A 11 0.287 -10.103 -7.127 1.00 72.23 O ATOM 183 CB ASN A 11 0.929 -10.037 -10.192 1.00 12.42 C ATOM 184 CG ASN A 11 0.803 -9.459 -11.609 1.00 25.44 C ATOM 185 OD1 ASN A 11 -0.205 -9.656 -12.296 1.00 25.54 O ATOM 186 ND2 ASN A 11 1.812 -8.731 -12.050 1.00 10.41 N ATOM 0 H ASN A 11 -0.298 -8.018 -9.124 1.00 62.34 H new ATOM 0 HA ASN A 11 -1.112 -10.724 -10.000 1.00 12.34 H new ATOM 0 HB2 ASN A 11 1.633 -9.432 -9.620 1.00 12.42 H new ATOM 0 HB3 ASN A 11 1.347 -11.042 -10.251 1.00 12.42 H new ATOM 0 HD21 ASN A 11 1.772 -8.314 -12.980 1.00 10.41 H new ATOM 0 HD22 ASN A 11 2.632 -8.585 -11.461 1.00 10.41 H new ATOM 193 N ASP A 12 -0.732 -11.976 -7.939 1.00 53.02 N ATOM 194 CA ASP A 12 -0.729 -12.764 -6.689 1.00 70.23 C ATOM 195 C ASP A 12 0.707 -13.024 -6.174 1.00 71.02 C ATOM 196 O ASP A 12 0.917 -13.122 -4.959 1.00 51.31 O ATOM 197 CB ASP A 12 -1.480 -14.104 -6.925 1.00 11.14 C ATOM 198 CG ASP A 12 -1.625 -14.970 -5.659 1.00 54.32 C ATOM 199 OD1 ASP A 12 -2.523 -14.684 -4.836 1.00 21.12 O ATOM 200 OD2 ASP A 12 -0.854 -15.945 -5.485 1.00 22.43 O ATOM 0 H ASP A 12 -1.136 -12.480 -8.728 1.00 53.02 H new ATOM 0 HA ASP A 12 -1.242 -12.188 -5.919 1.00 70.23 H new ATOM 0 HB2 ASP A 12 -2.472 -13.888 -7.321 1.00 11.14 H new ATOM 0 HB3 ASP A 12 -0.950 -14.677 -7.686 1.00 11.14 H new ATOM 205 N GLU A 13 1.679 -13.101 -7.115 1.00 51.03 N ATOM 206 CA GLU A 13 3.117 -13.272 -6.802 1.00 12.13 C ATOM 207 C GLU A 13 3.594 -12.215 -5.796 1.00 34.33 C ATOM 208 O GLU A 13 4.185 -12.546 -4.775 1.00 11.52 O ATOM 209 CB GLU A 13 3.987 -13.169 -8.091 1.00 71.43 C ATOM 210 CG GLU A 13 3.743 -14.277 -9.128 1.00 5.35 C ATOM 211 CD GLU A 13 4.546 -14.073 -10.425 1.00 0.14 C ATOM 212 OE1 GLU A 13 4.144 -13.217 -11.244 1.00 5.53 O ATOM 213 OE2 GLU A 13 5.585 -14.742 -10.620 1.00 4.02 O ATOM 0 H GLU A 13 1.486 -13.046 -8.115 1.00 51.03 H new ATOM 0 HA GLU A 13 3.233 -14.264 -6.365 1.00 12.13 H new ATOM 0 HB2 GLU A 13 3.800 -12.204 -8.562 1.00 71.43 H new ATOM 0 HB3 GLU A 13 5.038 -13.185 -7.804 1.00 71.43 H new ATOM 0 HG2 GLU A 13 4.007 -15.240 -8.691 1.00 5.35 H new ATOM 0 HG3 GLU A 13 2.680 -14.316 -9.367 1.00 5.35 H new ATOM 220 N LEU A 14 3.274 -10.942 -6.079 1.00 13.44 N ATOM 221 CA LEU A 14 3.792 -9.804 -5.302 1.00 63.41 C ATOM 222 C LEU A 14 3.241 -9.792 -3.878 1.00 2.20 C ATOM 223 O LEU A 14 3.922 -9.348 -2.985 1.00 51.55 O ATOM 224 CB LEU A 14 3.524 -8.445 -6.001 1.00 75.13 C ATOM 225 CG LEU A 14 4.409 -8.137 -7.244 1.00 40.55 C ATOM 226 CD1 LEU A 14 5.904 -8.222 -6.901 1.00 12.23 C ATOM 227 CD2 LEU A 14 4.046 -9.032 -8.436 1.00 31.01 C ATOM 0 H LEU A 14 2.656 -10.674 -6.845 1.00 13.44 H new ATOM 0 HA LEU A 14 4.872 -9.939 -5.246 1.00 63.41 H new ATOM 0 HB2 LEU A 14 2.478 -8.415 -6.307 1.00 75.13 H new ATOM 0 HB3 LEU A 14 3.666 -7.648 -5.271 1.00 75.13 H new ATOM 0 HG LEU A 14 4.203 -7.110 -7.545 1.00 40.55 H new ATOM 0 HD11 LEU A 14 6.494 -8.002 -7.790 1.00 12.23 H new ATOM 0 HD12 LEU A 14 6.140 -7.499 -6.120 1.00 12.23 H new ATOM 0 HD13 LEU A 14 6.140 -9.226 -6.549 1.00 12.23 H new ATOM 0 HD21 LEU A 14 4.686 -8.786 -9.284 1.00 31.01 H new ATOM 0 HD22 LEU A 14 4.190 -10.077 -8.163 1.00 31.01 H new ATOM 0 HD23 LEU A 14 3.003 -8.869 -8.709 1.00 31.01 H new ATOM 239 N ILE A 15 2.022 -10.304 -3.674 1.00 25.23 N ATOM 240 CA ILE A 15 1.422 -10.388 -2.330 1.00 65.53 C ATOM 241 C ILE A 15 2.348 -11.199 -1.385 1.00 73.24 C ATOM 242 O ILE A 15 2.912 -10.655 -0.423 1.00 62.21 O ATOM 243 CB ILE A 15 -0.025 -11.012 -2.410 1.00 33.32 C ATOM 244 CG1 ILE A 15 -0.931 -10.139 -3.343 1.00 32.14 C ATOM 245 CG2 ILE A 15 -0.652 -11.189 -1.010 1.00 23.04 C ATOM 246 CD1 ILE A 15 -2.394 -10.544 -3.426 1.00 61.31 C ATOM 0 H ILE A 15 1.429 -10.667 -4.420 1.00 25.23 H new ATOM 0 HA ILE A 15 1.321 -9.384 -1.918 1.00 65.53 H new ATOM 0 HB ILE A 15 0.055 -12.010 -2.841 1.00 33.32 H new ATOM 0 HG12 ILE A 15 -0.880 -9.105 -3.001 1.00 32.14 H new ATOM 0 HG13 ILE A 15 -0.511 -10.163 -4.349 1.00 32.14 H new ATOM 0 HG21 ILE A 15 -1.648 -11.621 -1.109 1.00 23.04 H new ATOM 0 HG22 ILE A 15 -0.026 -11.852 -0.412 1.00 23.04 H new ATOM 0 HG23 ILE A 15 -0.725 -10.219 -0.519 1.00 23.04 H new ATOM 0 HD11 ILE A 15 -2.921 -9.869 -4.100 1.00 61.31 H new ATOM 0 HD12 ILE A 15 -2.468 -11.564 -3.803 1.00 61.31 H new ATOM 0 HD13 ILE A 15 -2.843 -10.490 -2.434 1.00 61.31 H new ATOM 258 N LYS A 16 2.590 -12.460 -1.758 1.00 12.44 N ATOM 259 CA LYS A 16 3.379 -13.408 -0.950 1.00 4.13 C ATOM 260 C LYS A 16 4.884 -13.038 -0.904 1.00 30.13 C ATOM 261 O LYS A 16 5.518 -13.177 0.140 1.00 73.23 O ATOM 262 CB LYS A 16 3.149 -14.849 -1.487 1.00 24.03 C ATOM 263 CG LYS A 16 3.487 -15.045 -2.985 1.00 35.24 C ATOM 264 CD LYS A 16 2.899 -16.343 -3.585 1.00 72.04 C ATOM 265 CE LYS A 16 3.436 -17.628 -2.936 1.00 72.13 C ATOM 266 NZ LYS A 16 2.761 -18.836 -3.489 1.00 73.55 N ATOM 0 H LYS A 16 2.245 -12.858 -2.632 1.00 12.44 H new ATOM 0 HA LYS A 16 3.035 -13.354 0.083 1.00 4.13 H new ATOM 0 HB2 LYS A 16 3.752 -15.541 -0.899 1.00 24.03 H new ATOM 0 HB3 LYS A 16 2.105 -15.119 -1.326 1.00 24.03 H new ATOM 0 HG2 LYS A 16 3.112 -14.191 -3.549 1.00 35.24 H new ATOM 0 HG3 LYS A 16 4.570 -15.056 -3.107 1.00 35.24 H new ATOM 0 HD2 LYS A 16 1.814 -16.321 -3.481 1.00 72.04 H new ATOM 0 HD3 LYS A 16 3.116 -16.369 -4.653 1.00 72.04 H new ATOM 0 HE2 LYS A 16 4.511 -17.701 -3.103 1.00 72.13 H new ATOM 0 HE3 LYS A 16 3.283 -17.585 -1.858 1.00 72.13 H new ATOM 0 HZ1 LYS A 16 3.144 -19.688 -3.032 1.00 73.55 H new ATOM 0 HZ2 LYS A 16 1.739 -18.776 -3.308 1.00 73.55 H new ATOM 0 HZ3 LYS A 16 2.928 -18.888 -4.514 1.00 73.55 H new ATOM 280 N LYS A 17 5.428 -12.532 -2.035 1.00 64.22 N ATOM 281 CA LYS A 17 6.867 -12.202 -2.166 1.00 63.41 C ATOM 282 C LYS A 17 7.241 -10.915 -1.405 1.00 60.20 C ATOM 283 O LYS A 17 8.292 -10.868 -0.770 1.00 75.14 O ATOM 284 CB LYS A 17 7.268 -12.104 -3.660 1.00 51.42 C ATOM 285 CG LYS A 17 7.160 -13.443 -4.431 1.00 62.23 C ATOM 286 CD LYS A 17 7.576 -13.316 -5.916 1.00 52.10 C ATOM 287 CE LYS A 17 9.062 -12.957 -6.089 1.00 42.51 C ATOM 288 NZ LYS A 17 9.467 -12.932 -7.519 1.00 11.03 N ATOM 0 H LYS A 17 4.886 -12.342 -2.878 1.00 64.22 H new ATOM 0 HA LYS A 17 7.431 -13.014 -1.707 1.00 63.41 H new ATOM 0 HB2 LYS A 17 6.634 -11.364 -4.148 1.00 51.42 H new ATOM 0 HB3 LYS A 17 8.293 -11.740 -3.727 1.00 51.42 H new ATOM 0 HG2 LYS A 17 7.789 -14.189 -3.945 1.00 62.23 H new ATOM 0 HG3 LYS A 17 6.134 -13.807 -4.376 1.00 62.23 H new ATOM 0 HD2 LYS A 17 7.372 -14.257 -6.428 1.00 52.10 H new ATOM 0 HD3 LYS A 17 6.964 -12.553 -6.396 1.00 52.10 H new ATOM 0 HE2 LYS A 17 9.254 -11.982 -5.641 1.00 42.51 H new ATOM 0 HE3 LYS A 17 9.675 -13.681 -5.551 1.00 42.51 H new ATOM 0 HZ1 LYS A 17 10.475 -12.686 -7.590 1.00 11.03 H new ATOM 0 HZ2 LYS A 17 9.309 -13.869 -7.941 1.00 11.03 H new ATOM 0 HZ3 LYS A 17 8.901 -12.223 -8.028 1.00 11.03 H new ATOM 302 N ILE A 18 6.372 -9.878 -1.474 1.00 33.21 N ATOM 303 CA ILE A 18 6.546 -8.631 -0.688 1.00 41.54 C ATOM 304 C ILE A 18 6.506 -8.961 0.816 1.00 72.33 C ATOM 305 O ILE A 18 7.305 -8.416 1.584 1.00 3.03 O ATOM 306 CB ILE A 18 5.467 -7.524 -1.064 1.00 25.22 C ATOM 307 CG1 ILE A 18 5.726 -6.963 -2.507 1.00 43.52 C ATOM 308 CG2 ILE A 18 5.400 -6.368 -0.031 1.00 45.31 C ATOM 309 CD1 ILE A 18 4.633 -6.040 -3.051 1.00 14.34 C ATOM 0 H ILE A 18 5.542 -9.880 -2.067 1.00 33.21 H new ATOM 0 HA ILE A 18 7.518 -8.206 -0.937 1.00 41.54 H new ATOM 0 HB ILE A 18 4.495 -8.018 -1.043 1.00 25.22 H new ATOM 0 HG12 ILE A 18 6.671 -6.419 -2.504 1.00 43.52 H new ATOM 0 HG13 ILE A 18 5.844 -7.803 -3.191 1.00 43.52 H new ATOM 0 HG21 ILE A 18 4.646 -5.645 -0.343 1.00 45.31 H new ATOM 0 HG22 ILE A 18 5.136 -6.769 0.947 1.00 45.31 H new ATOM 0 HG23 ILE A 18 6.371 -5.877 0.029 1.00 45.31 H new ATOM 0 HD11 ILE A 18 4.904 -5.705 -4.052 1.00 14.34 H new ATOM 0 HD12 ILE A 18 3.688 -6.581 -3.093 1.00 14.34 H new ATOM 0 HD13 ILE A 18 4.528 -5.175 -2.396 1.00 14.34 H new ATOM 321 N LYS A 19 5.614 -9.906 1.215 1.00 52.41 N ATOM 322 CA LYS A 19 5.534 -10.369 2.615 1.00 63.01 C ATOM 323 C LYS A 19 6.874 -10.975 3.093 1.00 60.51 C ATOM 324 O LYS A 19 7.251 -10.778 4.248 1.00 63.11 O ATOM 325 CB LYS A 19 4.348 -11.359 2.826 1.00 30.42 C ATOM 326 CG LYS A 19 2.970 -10.678 2.722 1.00 42.44 C ATOM 327 CD LYS A 19 1.777 -11.558 3.166 1.00 43.30 C ATOM 328 CE LYS A 19 1.470 -12.726 2.225 1.00 23.33 C ATOM 329 NZ LYS A 19 0.217 -13.420 2.626 1.00 43.44 N ATOM 0 H LYS A 19 4.947 -10.356 0.588 1.00 52.41 H new ATOM 0 HA LYS A 19 5.337 -9.493 3.233 1.00 63.01 H new ATOM 0 HB2 LYS A 19 4.410 -12.155 2.085 1.00 30.42 H new ATOM 0 HB3 LYS A 19 4.443 -11.827 3.806 1.00 30.42 H new ATOM 0 HG2 LYS A 19 2.981 -9.772 3.329 1.00 42.44 H new ATOM 0 HG3 LYS A 19 2.810 -10.368 1.689 1.00 42.44 H new ATOM 0 HD2 LYS A 19 1.983 -11.953 4.161 1.00 43.30 H new ATOM 0 HD3 LYS A 19 0.889 -10.931 3.249 1.00 43.30 H new ATOM 0 HE2 LYS A 19 1.375 -12.359 1.203 1.00 23.33 H new ATOM 0 HE3 LYS A 19 2.300 -13.433 2.234 1.00 23.33 H new ATOM 0 HZ1 LYS A 19 0.068 -14.248 2.014 1.00 43.44 H new ATOM 0 HZ2 LYS A 19 0.293 -13.730 3.616 1.00 43.44 H new ATOM 0 HZ3 LYS A 19 -0.587 -12.768 2.529 1.00 43.44 H new ATOM 343 N LYS A 20 7.600 -11.674 2.187 1.00 63.33 N ATOM 344 CA LYS A 20 8.937 -12.241 2.495 1.00 13.23 C ATOM 345 C LYS A 20 9.959 -11.108 2.746 1.00 20.33 C ATOM 346 O LYS A 20 10.637 -11.092 3.776 1.00 21.22 O ATOM 347 CB LYS A 20 9.439 -13.153 1.336 1.00 13.12 C ATOM 348 CG LYS A 20 8.467 -14.274 0.907 1.00 62.03 C ATOM 349 CD LYS A 20 8.122 -15.271 2.040 1.00 60.23 C ATOM 350 CE LYS A 20 7.171 -16.389 1.573 1.00 13.34 C ATOM 351 NZ LYS A 20 6.881 -17.354 2.666 1.00 61.10 N ATOM 0 H LYS A 20 7.282 -11.859 1.236 1.00 63.33 H new ATOM 0 HA LYS A 20 8.843 -12.846 3.397 1.00 13.23 H new ATOM 0 HB2 LYS A 20 9.650 -12.527 0.469 1.00 13.12 H new ATOM 0 HB3 LYS A 20 10.382 -13.609 1.637 1.00 13.12 H new ATOM 0 HG2 LYS A 20 7.545 -13.822 0.541 1.00 62.03 H new ATOM 0 HG3 LYS A 20 8.906 -14.823 0.074 1.00 62.03 H new ATOM 0 HD2 LYS A 20 9.041 -15.716 2.420 1.00 60.23 H new ATOM 0 HD3 LYS A 20 7.663 -14.730 2.868 1.00 60.23 H new ATOM 0 HE2 LYS A 20 6.239 -15.950 1.218 1.00 13.34 H new ATOM 0 HE3 LYS A 20 7.616 -16.917 0.730 1.00 13.34 H new ATOM 0 HZ1 LYS A 20 6.238 -18.092 2.316 1.00 61.10 H new ATOM 0 HZ2 LYS A 20 7.768 -17.791 2.987 1.00 61.10 H new ATOM 0 HZ3 LYS A 20 6.434 -16.854 3.461 1.00 61.10 H new ATOM 365 N GLU A 21 10.054 -10.193 1.757 1.00 43.41 N ATOM 366 CA GLU A 21 10.925 -8.989 1.798 1.00 11.32 C ATOM 367 C GLU A 21 10.816 -8.218 3.135 1.00 44.14 C ATOM 368 O GLU A 21 11.815 -7.963 3.822 1.00 4.42 O ATOM 369 CB GLU A 21 10.552 -8.032 0.623 1.00 50.43 C ATOM 370 CG GLU A 21 10.615 -8.662 -0.786 1.00 0.11 C ATOM 371 CD GLU A 21 12.016 -9.147 -1.199 1.00 74.02 C ATOM 372 OE1 GLU A 21 12.805 -8.326 -1.703 1.00 55.54 O ATOM 373 OE2 GLU A 21 12.341 -10.342 -1.012 1.00 44.14 O ATOM 0 H GLU A 21 9.520 -10.268 0.891 1.00 43.41 H new ATOM 0 HA GLU A 21 11.954 -9.336 1.702 1.00 11.32 H new ATOM 0 HB2 GLU A 21 9.543 -7.655 0.790 1.00 50.43 H new ATOM 0 HB3 GLU A 21 11.222 -7.173 0.649 1.00 50.43 H new ATOM 0 HG2 GLU A 21 9.925 -9.505 -0.826 1.00 0.11 H new ATOM 0 HG3 GLU A 21 10.267 -7.930 -1.515 1.00 0.11 H new ATOM 380 N VAL A 22 9.575 -7.904 3.508 1.00 42.13 N ATOM 381 CA VAL A 22 9.275 -7.003 4.630 1.00 74.04 C ATOM 382 C VAL A 22 9.211 -7.756 5.976 1.00 41.42 C ATOM 383 O VAL A 22 9.174 -7.122 7.037 1.00 32.15 O ATOM 384 CB VAL A 22 7.943 -6.227 4.358 1.00 43.14 C ATOM 385 CG1 VAL A 22 7.971 -5.587 2.955 1.00 15.53 C ATOM 386 CG2 VAL A 22 6.704 -7.132 4.527 1.00 43.53 C ATOM 0 H VAL A 22 8.744 -8.267 3.041 1.00 42.13 H new ATOM 0 HA VAL A 22 10.092 -6.285 4.707 1.00 74.04 H new ATOM 0 HB VAL A 22 7.864 -5.435 5.102 1.00 43.14 H new ATOM 0 HG11 VAL A 22 7.038 -5.051 2.781 1.00 15.53 H new ATOM 0 HG12 VAL A 22 8.807 -4.891 2.889 1.00 15.53 H new ATOM 0 HG13 VAL A 22 8.088 -6.366 2.202 1.00 15.53 H new ATOM 0 HG21 VAL A 22 5.801 -6.554 4.329 1.00 43.53 H new ATOM 0 HG22 VAL A 22 6.763 -7.964 3.826 1.00 43.53 H new ATOM 0 HG23 VAL A 22 6.672 -7.518 5.546 1.00 43.53 H new ATOM 396 N GLU A 23 9.184 -9.107 5.913 1.00 23.44 N ATOM 397 CA GLU A 23 9.255 -9.979 7.104 1.00 2.20 C ATOM 398 C GLU A 23 10.540 -9.698 7.894 1.00 1.24 C ATOM 399 O GLU A 23 10.509 -9.532 9.118 1.00 43.34 O ATOM 400 CB GLU A 23 9.217 -11.476 6.677 1.00 1.42 C ATOM 401 CG GLU A 23 9.297 -12.505 7.832 1.00 55.14 C ATOM 402 CD GLU A 23 8.059 -12.499 8.748 1.00 45.54 C ATOM 403 OE1 GLU A 23 7.094 -13.237 8.459 1.00 25.10 O ATOM 404 OE2 GLU A 23 8.042 -11.757 9.754 1.00 51.30 O ATOM 0 H GLU A 23 9.112 -9.621 5.035 1.00 23.44 H new ATOM 0 HA GLU A 23 8.395 -9.767 7.739 1.00 2.20 H new ATOM 0 HB2 GLU A 23 8.297 -11.653 6.120 1.00 1.42 H new ATOM 0 HB3 GLU A 23 10.045 -11.661 5.992 1.00 1.42 H new ATOM 0 HG2 GLU A 23 9.423 -13.503 7.411 1.00 55.14 H new ATOM 0 HG3 GLU A 23 10.184 -12.298 8.431 1.00 55.14 H new ATOM 411 N ASN A 24 11.654 -9.606 7.146 1.00 52.31 N ATOM 412 CA ASN A 24 13.000 -9.371 7.703 1.00 50.33 C ATOM 413 C ASN A 24 13.094 -7.965 8.330 1.00 2.42 C ATOM 414 O ASN A 24 13.830 -7.747 9.295 1.00 14.32 O ATOM 415 CB ASN A 24 14.083 -9.522 6.596 1.00 11.31 C ATOM 416 CG ASN A 24 13.953 -10.813 5.784 1.00 55.40 C ATOM 417 OD1 ASN A 24 14.492 -11.857 6.150 1.00 31.24 O ATOM 418 ND2 ASN A 24 13.226 -10.749 4.676 1.00 24.41 N ATOM 0 H ASN A 24 11.646 -9.693 6.130 1.00 52.31 H new ATOM 0 HA ASN A 24 13.177 -10.116 8.479 1.00 50.33 H new ATOM 0 HB2 ASN A 24 14.021 -8.669 5.920 1.00 11.31 H new ATOM 0 HB3 ASN A 24 15.070 -9.491 7.058 1.00 11.31 H new ATOM 0 HD21 ASN A 24 13.101 -11.581 4.100 1.00 24.41 H new ATOM 0 HD22 ASN A 24 12.792 -9.868 4.401 1.00 24.41 H new ATOM 425 N GLN A 25 12.326 -7.021 7.753 1.00 52.04 N ATOM 426 CA GLN A 25 12.333 -5.599 8.149 1.00 62.34 C ATOM 427 C GLN A 25 11.273 -5.292 9.230 1.00 54.34 C ATOM 428 O GLN A 25 11.192 -4.155 9.711 1.00 54.44 O ATOM 429 CB GLN A 25 12.114 -4.718 6.887 1.00 70.24 C ATOM 430 CG GLN A 25 13.164 -4.942 5.772 1.00 41.31 C ATOM 431 CD GLN A 25 14.607 -4.599 6.169 1.00 21.14 C ATOM 432 OE1 GLN A 25 15.553 -5.246 5.716 1.00 62.40 O ATOM 433 NE2 GLN A 25 14.804 -3.549 6.957 1.00 74.52 N ATOM 0 H GLN A 25 11.678 -7.225 6.992 1.00 52.04 H new ATOM 0 HA GLN A 25 13.302 -5.368 8.592 1.00 62.34 H new ATOM 0 HB2 GLN A 25 11.122 -4.920 6.483 1.00 70.24 H new ATOM 0 HB3 GLN A 25 12.131 -3.669 7.182 1.00 70.24 H new ATOM 0 HG2 GLN A 25 13.126 -5.986 5.461 1.00 41.31 H new ATOM 0 HG3 GLN A 25 12.888 -4.341 4.906 1.00 41.31 H new ATOM 0 HE21 GLN A 25 14.006 -3.028 7.321 1.00 74.52 H new ATOM 0 HE22 GLN A 25 15.753 -3.264 7.199 1.00 74.52 H new ATOM 442 N GLY A 26 10.489 -6.312 9.622 1.00 70.43 N ATOM 443 CA GLY A 26 9.485 -6.175 10.682 1.00 22.45 C ATOM 444 C GLY A 26 8.258 -5.336 10.332 1.00 62.41 C ATOM 445 O GLY A 26 7.654 -4.736 11.225 1.00 25.44 O ATOM 0 H GLY A 26 10.536 -7.246 9.214 1.00 70.43 H new ATOM 0 HA2 GLY A 26 9.150 -7.172 10.970 1.00 22.45 H new ATOM 0 HA3 GLY A 26 9.965 -5.735 11.556 1.00 22.45 H new ATOM 449 N TYR A 27 7.873 -5.300 9.048 1.00 14.04 N ATOM 450 CA TYR A 27 6.672 -4.558 8.588 1.00 70.43 C ATOM 451 C TYR A 27 5.454 -5.487 8.640 1.00 54.14 C ATOM 452 O TYR A 27 5.384 -6.476 7.890 1.00 74.41 O ATOM 453 CB TYR A 27 6.875 -3.961 7.162 1.00 1.43 C ATOM 454 CG TYR A 27 7.770 -2.706 7.127 1.00 11.14 C ATOM 455 CD1 TYR A 27 9.033 -2.715 7.716 1.00 42.31 C ATOM 456 CD2 TYR A 27 7.336 -1.508 6.545 1.00 64.15 C ATOM 457 CE1 TYR A 27 9.830 -1.594 7.731 1.00 4.13 C ATOM 458 CE2 TYR A 27 8.136 -0.376 6.566 1.00 24.21 C ATOM 459 CZ TYR A 27 9.382 -0.429 7.162 1.00 34.04 C ATOM 460 OH TYR A 27 10.177 0.697 7.206 1.00 35.31 O ATOM 0 H TYR A 27 8.375 -5.777 8.299 1.00 14.04 H new ATOM 0 HA TYR A 27 6.503 -3.713 9.255 1.00 70.43 H new ATOM 0 HB2 TYR A 27 7.313 -4.725 6.519 1.00 1.43 H new ATOM 0 HB3 TYR A 27 5.901 -3.711 6.742 1.00 1.43 H new ATOM 0 HD1 TYR A 27 9.395 -3.625 8.172 1.00 42.31 H new ATOM 0 HD2 TYR A 27 6.365 -1.466 6.074 1.00 64.15 H new ATOM 0 HE1 TYR A 27 10.807 -1.631 8.190 1.00 4.13 H new ATOM 0 HE2 TYR A 27 7.787 0.543 6.119 1.00 24.21 H new ATOM 0 HH TYR A 27 11.111 0.444 7.052 1.00 35.31 H new ATOM 470 N GLN A 28 4.516 -5.169 9.551 1.00 25.21 N ATOM 471 CA GLN A 28 3.331 -5.990 9.824 1.00 61.30 C ATOM 472 C GLN A 28 2.357 -5.907 8.641 1.00 44.25 C ATOM 473 O GLN A 28 1.684 -4.880 8.453 1.00 54.13 O ATOM 474 CB GLN A 28 2.620 -5.515 11.117 1.00 2.10 C ATOM 475 CG GLN A 28 3.531 -5.318 12.345 1.00 1.23 C ATOM 476 CD GLN A 28 2.767 -4.893 13.606 1.00 51.33 C ATOM 477 OE1 GLN A 28 1.599 -5.244 13.795 1.00 1.20 O ATOM 478 NE2 GLN A 28 3.406 -4.121 14.474 1.00 31.23 N ATOM 0 H GLN A 28 4.564 -4.325 10.122 1.00 25.21 H new ATOM 0 HA GLN A 28 3.652 -7.023 9.962 1.00 61.30 H new ATOM 0 HB2 GLN A 28 2.115 -4.572 10.907 1.00 2.10 H new ATOM 0 HB3 GLN A 28 1.848 -6.240 11.373 1.00 2.10 H new ATOM 0 HG2 GLN A 28 4.063 -6.248 12.547 1.00 1.23 H new ATOM 0 HG3 GLN A 28 4.283 -4.564 12.113 1.00 1.23 H new ATOM 0 HE21 GLN A 28 4.371 -3.844 14.296 1.00 31.23 H new ATOM 0 HE22 GLN A 28 2.932 -3.804 15.320 1.00 31.23 H new ATOM 487 N VAL A 29 2.312 -6.970 7.831 1.00 71.44 N ATOM 488 CA VAL A 29 1.429 -7.030 6.663 1.00 30.24 C ATOM 489 C VAL A 29 0.002 -7.374 7.097 1.00 21.13 C ATOM 490 O VAL A 29 -0.212 -8.260 7.931 1.00 71.13 O ATOM 491 CB VAL A 29 1.905 -8.059 5.590 1.00 61.33 C ATOM 492 CG1 VAL A 29 0.978 -8.040 4.346 1.00 13.52 C ATOM 493 CG2 VAL A 29 3.365 -7.786 5.193 1.00 75.00 C ATOM 0 H VAL A 29 2.881 -7.806 7.965 1.00 71.44 H new ATOM 0 HA VAL A 29 1.458 -6.043 6.202 1.00 30.24 H new ATOM 0 HB VAL A 29 1.850 -9.056 6.028 1.00 61.33 H new ATOM 0 HG11 VAL A 29 1.334 -8.767 3.616 1.00 13.52 H new ATOM 0 HG12 VAL A 29 -0.038 -8.295 4.646 1.00 13.52 H new ATOM 0 HG13 VAL A 29 0.986 -7.045 3.901 1.00 13.52 H new ATOM 0 HG21 VAL A 29 3.680 -8.513 4.444 1.00 75.00 H new ATOM 0 HG22 VAL A 29 3.448 -6.781 4.780 1.00 75.00 H new ATOM 0 HG23 VAL A 29 4.003 -7.871 6.073 1.00 75.00 H new ATOM 503 N ARG A 30 -0.956 -6.631 6.543 1.00 55.32 N ATOM 504 CA ARG A 30 -2.377 -6.875 6.701 1.00 64.05 C ATOM 505 C ARG A 30 -2.936 -7.118 5.288 1.00 40.14 C ATOM 506 O ARG A 30 -3.010 -6.181 4.484 1.00 63.31 O ATOM 507 CB ARG A 30 -3.058 -5.630 7.356 1.00 10.13 C ATOM 508 CG ARG A 30 -2.301 -4.997 8.553 1.00 31.45 C ATOM 509 CD ARG A 30 -2.129 -5.916 9.771 1.00 21.44 C ATOM 510 NE ARG A 30 -3.425 -6.293 10.363 1.00 30.03 N ATOM 511 CZ ARG A 30 -3.663 -6.506 11.666 1.00 5.33 C ATOM 512 NH1 ARG A 30 -2.690 -6.377 12.569 1.00 11.30 N ATOM 513 NH2 ARG A 30 -4.878 -6.857 12.059 1.00 31.13 N ATOM 0 H ARG A 30 -0.752 -5.822 5.957 1.00 55.32 H new ATOM 0 HA ARG A 30 -2.569 -7.732 7.347 1.00 64.05 H new ATOM 0 HB2 ARG A 30 -3.190 -4.866 6.589 1.00 10.13 H new ATOM 0 HB3 ARG A 30 -4.054 -5.919 7.692 1.00 10.13 H new ATOM 0 HG2 ARG A 30 -1.315 -4.680 8.213 1.00 31.45 H new ATOM 0 HG3 ARG A 30 -2.834 -4.099 8.866 1.00 31.45 H new ATOM 0 HD2 ARG A 30 -1.590 -6.816 9.474 1.00 21.44 H new ATOM 0 HD3 ARG A 30 -1.520 -5.413 10.522 1.00 21.44 H new ATOM 0 HE ARG A 30 -4.213 -6.402 9.724 1.00 30.03 H new ATOM 0 HH11 ARG A 30 -1.750 -6.113 12.272 1.00 11.30 H new ATOM 0 HH12 ARG A 30 -2.885 -6.542 13.556 1.00 11.30 H new ATOM 0 HH21 ARG A 30 -5.625 -6.964 11.373 1.00 31.13 H new ATOM 0 HH22 ARG A 30 -5.067 -7.021 13.048 1.00 31.13 H new ATOM 527 N ASP A 31 -3.289 -8.372 4.982 1.00 2.34 N ATOM 528 CA ASP A 31 -3.857 -8.750 3.672 1.00 23.11 C ATOM 529 C ASP A 31 -5.355 -8.436 3.654 1.00 41.13 C ATOM 530 O ASP A 31 -6.120 -8.950 4.485 1.00 33.33 O ATOM 531 CB ASP A 31 -3.621 -10.257 3.370 1.00 52.22 C ATOM 532 CG ASP A 31 -2.134 -10.617 3.194 1.00 51.21 C ATOM 533 OD1 ASP A 31 -1.416 -10.731 4.212 1.00 61.23 O ATOM 534 OD2 ASP A 31 -1.680 -10.821 2.052 1.00 54.13 O ATOM 0 H ASP A 31 -3.192 -9.154 5.629 1.00 2.34 H new ATOM 0 HA ASP A 31 -3.354 -8.172 2.897 1.00 23.11 H new ATOM 0 HB2 ASP A 31 -4.038 -10.853 4.182 1.00 52.22 H new ATOM 0 HB3 ASP A 31 -4.163 -10.528 2.464 1.00 52.22 H new ATOM 539 N VAL A 32 -5.754 -7.566 2.720 1.00 71.35 N ATOM 540 CA VAL A 32 -7.152 -7.187 2.509 1.00 10.12 C ATOM 541 C VAL A 32 -7.601 -7.750 1.153 1.00 24.34 C ATOM 542 O VAL A 32 -7.109 -7.326 0.094 1.00 20.12 O ATOM 543 CB VAL A 32 -7.334 -5.619 2.552 1.00 62.52 C ATOM 544 CG1 VAL A 32 -8.792 -5.202 2.241 1.00 2.34 C ATOM 545 CG2 VAL A 32 -6.879 -5.044 3.919 1.00 4.14 C ATOM 0 H VAL A 32 -5.107 -7.101 2.083 1.00 71.35 H new ATOM 0 HA VAL A 32 -7.767 -7.600 3.309 1.00 10.12 H new ATOM 0 HB VAL A 32 -6.698 -5.198 1.773 1.00 62.52 H new ATOM 0 HG11 VAL A 32 -8.876 -4.116 2.280 1.00 2.34 H new ATOM 0 HG12 VAL A 32 -9.066 -5.551 1.245 1.00 2.34 H new ATOM 0 HG13 VAL A 32 -9.462 -5.645 2.978 1.00 2.34 H new ATOM 0 HG21 VAL A 32 -7.015 -3.962 3.922 1.00 4.14 H new ATOM 0 HG22 VAL A 32 -7.475 -5.487 4.717 1.00 4.14 H new ATOM 0 HG23 VAL A 32 -5.827 -5.278 4.080 1.00 4.14 H new ATOM 555 N ASN A 33 -8.523 -8.724 1.205 1.00 12.45 N ATOM 556 CA ASN A 33 -9.103 -9.381 0.013 1.00 33.20 C ATOM 557 C ASN A 33 -10.540 -8.891 -0.228 1.00 13.31 C ATOM 558 O ASN A 33 -11.020 -8.860 -1.371 1.00 32.11 O ATOM 559 CB ASN A 33 -9.130 -10.930 0.210 1.00 74.14 C ATOM 560 CG ASN A 33 -7.763 -11.588 0.461 1.00 61.35 C ATOM 561 OD1 ASN A 33 -6.839 -10.980 1.007 1.00 75.30 O ATOM 562 ND2 ASN A 33 -7.639 -12.856 0.083 1.00 25.14 N ATOM 0 H ASN A 33 -8.894 -9.085 2.084 1.00 12.45 H new ATOM 0 HA ASN A 33 -8.482 -9.127 -0.846 1.00 33.20 H new ATOM 0 HB2 ASN A 33 -9.785 -11.161 1.050 1.00 74.14 H new ATOM 0 HB3 ASN A 33 -9.575 -11.384 -0.675 1.00 74.14 H new ATOM 0 HD21 ASN A 33 -6.762 -13.352 0.242 1.00 25.14 H new ATOM 0 HD22 ASN A 33 -8.421 -13.333 -0.366 1.00 25.14 H new ATOM 569 N ASP A 34 -11.218 -8.499 0.862 1.00 32.11 N ATOM 570 CA ASP A 34 -12.671 -8.241 0.870 1.00 43.54 C ATOM 571 C ASP A 34 -12.986 -6.989 1.718 1.00 5.01 C ATOM 572 O ASP A 34 -12.139 -6.533 2.494 1.00 43.44 O ATOM 573 CB ASP A 34 -13.414 -9.494 1.420 1.00 13.23 C ATOM 574 CG ASP A 34 -14.949 -9.337 1.453 1.00 32.03 C ATOM 575 OD1 ASP A 34 -15.565 -9.261 0.373 1.00 64.22 O ATOM 576 OD2 ASP A 34 -15.532 -9.217 2.553 1.00 13.02 O ATOM 0 H ASP A 34 -10.774 -8.351 1.768 1.00 32.11 H new ATOM 0 HA ASP A 34 -13.015 -8.049 -0.146 1.00 43.54 H new ATOM 0 HB2 ASP A 34 -13.159 -10.357 0.805 1.00 13.23 H new ATOM 0 HB3 ASP A 34 -13.057 -9.704 2.428 1.00 13.23 H new ATOM 581 N SER A 35 -14.196 -6.427 1.514 1.00 42.03 N ATOM 582 CA SER A 35 -14.748 -5.300 2.295 1.00 10.42 C ATOM 583 C SER A 35 -14.628 -5.515 3.820 1.00 14.23 C ATOM 584 O SER A 35 -14.234 -4.596 4.536 1.00 60.21 O ATOM 585 CB SER A 35 -16.225 -5.085 1.898 1.00 11.22 C ATOM 586 OG SER A 35 -16.990 -6.271 2.075 1.00 42.03 O ATOM 0 H SER A 35 -14.831 -6.752 0.785 1.00 42.03 H new ATOM 0 HA SER A 35 -14.160 -4.413 2.060 1.00 10.42 H new ATOM 0 HB2 SER A 35 -16.652 -4.282 2.500 1.00 11.22 H new ATOM 0 HB3 SER A 35 -16.280 -4.767 0.857 1.00 11.22 H new ATOM 0 HG SER A 35 -17.920 -6.102 1.817 1.00 42.03 H new ATOM 592 N ASP A 36 -14.986 -6.737 4.294 1.00 23.11 N ATOM 593 CA ASP A 36 -14.829 -7.133 5.712 1.00 70.12 C ATOM 594 C ASP A 36 -13.372 -6.994 6.140 1.00 73.24 C ATOM 595 O ASP A 36 -13.107 -6.354 7.142 1.00 74.53 O ATOM 596 CB ASP A 36 -15.335 -8.587 5.975 1.00 70.35 C ATOM 597 CG ASP A 36 -16.846 -8.667 6.247 1.00 15.35 C ATOM 598 OD1 ASP A 36 -17.639 -8.773 5.287 1.00 21.41 O ATOM 599 OD2 ASP A 36 -17.251 -8.619 7.432 1.00 42.21 O ATOM 0 H ASP A 36 -15.388 -7.468 3.707 1.00 23.11 H new ATOM 0 HA ASP A 36 -15.446 -6.461 6.309 1.00 70.12 H new ATOM 0 HB2 ASP A 36 -15.095 -9.209 5.113 1.00 70.35 H new ATOM 0 HB3 ASP A 36 -14.797 -9.002 6.827 1.00 70.35 H new ATOM 604 N GLU A 37 -12.445 -7.554 5.325 1.00 15.42 N ATOM 605 CA GLU A 37 -10.992 -7.573 5.631 1.00 71.11 C ATOM 606 C GLU A 37 -10.475 -6.145 5.875 1.00 2.04 C ATOM 607 O GLU A 37 -9.745 -5.902 6.827 1.00 44.52 O ATOM 608 CB GLU A 37 -10.193 -8.247 4.480 1.00 31.44 C ATOM 609 CG GLU A 37 -10.613 -9.694 4.150 1.00 43.23 C ATOM 610 CD GLU A 37 -10.461 -10.672 5.331 1.00 61.10 C ATOM 611 OE1 GLU A 37 -9.316 -11.066 5.645 1.00 4.23 O ATOM 612 OE2 GLU A 37 -11.481 -11.054 5.949 1.00 65.13 O ATOM 0 H GLU A 37 -12.681 -8.004 4.440 1.00 15.42 H new ATOM 0 HA GLU A 37 -10.844 -8.158 6.539 1.00 71.11 H new ATOM 0 HB2 GLU A 37 -10.300 -7.640 3.581 1.00 31.44 H new ATOM 0 HB3 GLU A 37 -9.135 -8.243 4.743 1.00 31.44 H new ATOM 0 HG2 GLU A 37 -11.652 -9.695 3.822 1.00 43.23 H new ATOM 0 HG3 GLU A 37 -10.014 -10.054 3.313 1.00 43.23 H new ATOM 619 N LEU A 38 -10.927 -5.208 5.014 1.00 33.02 N ATOM 620 CA LEU A 38 -10.655 -3.762 5.152 1.00 71.44 C ATOM 621 C LEU A 38 -11.101 -3.276 6.533 1.00 54.24 C ATOM 622 O LEU A 38 -10.294 -2.779 7.314 1.00 72.11 O ATOM 623 CB LEU A 38 -11.381 -2.999 3.996 1.00 12.12 C ATOM 624 CG LEU A 38 -11.388 -1.417 4.029 1.00 65.42 C ATOM 625 CD1 LEU A 38 -11.397 -0.847 2.612 1.00 13.30 C ATOM 626 CD2 LEU A 38 -12.606 -0.829 4.793 1.00 14.33 C ATOM 0 H LEU A 38 -11.495 -5.436 4.198 1.00 33.02 H new ATOM 0 HA LEU A 38 -9.586 -3.565 5.073 1.00 71.44 H new ATOM 0 HB2 LEU A 38 -10.926 -3.310 3.056 1.00 12.12 H new ATOM 0 HB3 LEU A 38 -12.418 -3.336 3.975 1.00 12.12 H new ATOM 0 HG LEU A 38 -10.479 -1.130 4.558 1.00 65.42 H new ATOM 0 HD11 LEU A 38 -11.402 0.242 2.658 1.00 13.30 H new ATOM 0 HD12 LEU A 38 -10.508 -1.184 2.079 1.00 13.30 H new ATOM 0 HD13 LEU A 38 -12.288 -1.192 2.087 1.00 13.30 H new ATOM 0 HD21 LEU A 38 -12.553 0.260 4.780 1.00 14.33 H new ATOM 0 HD22 LEU A 38 -13.529 -1.153 4.311 1.00 14.33 H new ATOM 0 HD23 LEU A 38 -12.593 -1.180 5.825 1.00 14.33 H new ATOM 638 N LYS A 39 -12.395 -3.501 6.823 1.00 64.01 N ATOM 639 CA LYS A 39 -13.062 -3.028 8.046 1.00 52.00 C ATOM 640 C LYS A 39 -12.372 -3.578 9.307 1.00 44.25 C ATOM 641 O LYS A 39 -12.279 -2.873 10.294 1.00 0.52 O ATOM 642 CB LYS A 39 -14.565 -3.422 7.996 1.00 31.44 C ATOM 643 CG LYS A 39 -15.357 -2.730 6.854 1.00 53.31 C ATOM 644 CD LYS A 39 -16.719 -3.412 6.554 1.00 42.20 C ATOM 645 CE LYS A 39 -17.683 -3.427 7.749 1.00 62.13 C ATOM 646 NZ LYS A 39 -18.976 -4.089 7.415 1.00 3.31 N ATOM 0 H LYS A 39 -13.014 -4.024 6.204 1.00 64.01 H new ATOM 0 HA LYS A 39 -12.986 -1.942 8.097 1.00 52.00 H new ATOM 0 HB2 LYS A 39 -14.644 -4.503 7.877 1.00 31.44 H new ATOM 0 HB3 LYS A 39 -15.028 -3.172 8.950 1.00 31.44 H new ATOM 0 HG2 LYS A 39 -15.531 -1.688 7.121 1.00 53.31 H new ATOM 0 HG3 LYS A 39 -14.751 -2.730 5.948 1.00 53.31 H new ATOM 0 HD2 LYS A 39 -17.197 -2.897 5.721 1.00 42.20 H new ATOM 0 HD3 LYS A 39 -16.538 -4.438 6.233 1.00 42.20 H new ATOM 0 HE2 LYS A 39 -17.215 -3.946 8.586 1.00 62.13 H new ATOM 0 HE3 LYS A 39 -17.873 -2.404 8.075 1.00 62.13 H new ATOM 0 HZ1 LYS A 39 -19.597 -4.078 8.249 1.00 3.31 H new ATOM 0 HZ2 LYS A 39 -19.436 -3.579 6.634 1.00 3.31 H new ATOM 0 HZ3 LYS A 39 -18.798 -5.073 7.129 1.00 3.31 H new ATOM 660 N LYS A 40 -11.834 -4.817 9.218 1.00 10.22 N ATOM 661 CA LYS A 40 -11.146 -5.487 10.337 1.00 63.22 C ATOM 662 C LYS A 40 -9.812 -4.774 10.662 1.00 20.03 C ATOM 663 O LYS A 40 -9.568 -4.394 11.810 1.00 14.14 O ATOM 664 CB LYS A 40 -10.872 -6.991 10.013 1.00 22.25 C ATOM 665 CG LYS A 40 -12.108 -7.846 9.647 1.00 74.15 C ATOM 666 CD LYS A 40 -13.149 -8.002 10.780 1.00 33.13 C ATOM 667 CE LYS A 40 -14.338 -8.899 10.369 1.00 33.30 C ATOM 668 NZ LYS A 40 -15.292 -9.112 11.492 1.00 11.44 N ATOM 0 H LYS A 40 -11.867 -5.377 8.366 1.00 10.22 H new ATOM 0 HA LYS A 40 -11.802 -5.433 11.206 1.00 63.22 H new ATOM 0 HB2 LYS A 40 -10.164 -7.040 9.186 1.00 22.25 H new ATOM 0 HB3 LYS A 40 -10.385 -7.444 10.876 1.00 22.25 H new ATOM 0 HG2 LYS A 40 -12.598 -7.399 8.782 1.00 74.15 H new ATOM 0 HG3 LYS A 40 -11.770 -8.837 9.345 1.00 74.15 H new ATOM 0 HD2 LYS A 40 -12.664 -8.427 11.659 1.00 33.13 H new ATOM 0 HD3 LYS A 40 -13.521 -7.018 11.065 1.00 33.13 H new ATOM 0 HE2 LYS A 40 -14.863 -8.443 9.530 1.00 33.30 H new ATOM 0 HE3 LYS A 40 -13.963 -9.863 10.025 1.00 33.30 H new ATOM 0 HZ1 LYS A 40 -16.074 -9.719 11.173 1.00 11.44 H new ATOM 0 HZ2 LYS A 40 -14.799 -9.571 12.284 1.00 11.44 H new ATOM 0 HZ3 LYS A 40 -15.671 -8.195 11.804 1.00 11.44 H new ATOM 682 N GLU A 41 -8.971 -4.584 9.622 1.00 61.33 N ATOM 683 CA GLU A 41 -7.593 -4.066 9.787 1.00 73.53 C ATOM 684 C GLU A 41 -7.583 -2.561 10.145 1.00 21.21 C ATOM 685 O GLU A 41 -6.706 -2.105 10.886 1.00 53.43 O ATOM 686 CB GLU A 41 -6.750 -4.347 8.503 1.00 61.31 C ATOM 687 CG GLU A 41 -6.852 -5.796 7.941 1.00 62.41 C ATOM 688 CD GLU A 41 -6.435 -6.935 8.912 1.00 60.03 C ATOM 689 OE1 GLU A 41 -7.129 -7.179 9.920 1.00 61.13 O ATOM 690 OE2 GLU A 41 -5.425 -7.616 8.656 1.00 55.40 O ATOM 0 H GLU A 41 -9.223 -4.783 8.654 1.00 61.33 H new ATOM 0 HA GLU A 41 -7.136 -4.594 10.624 1.00 73.53 H new ATOM 0 HB2 GLU A 41 -7.062 -3.651 7.725 1.00 61.31 H new ATOM 0 HB3 GLU A 41 -5.704 -4.133 8.722 1.00 61.31 H new ATOM 0 HG2 GLU A 41 -7.881 -5.971 7.628 1.00 62.41 H new ATOM 0 HG3 GLU A 41 -6.231 -5.862 7.047 1.00 62.41 H new ATOM 697 N MET A 42 -8.587 -1.808 9.638 1.00 50.41 N ATOM 698 CA MET A 42 -8.718 -0.359 9.907 1.00 70.31 C ATOM 699 C MET A 42 -9.129 -0.098 11.373 1.00 5.14 C ATOM 700 O MET A 42 -8.868 0.992 11.901 1.00 13.30 O ATOM 701 CB MET A 42 -9.719 0.313 8.922 1.00 41.53 C ATOM 702 CG MET A 42 -9.311 0.204 7.441 1.00 23.12 C ATOM 703 SD MET A 42 -7.633 0.787 7.130 1.00 23.02 S ATOM 704 CE MET A 42 -7.743 2.516 7.580 1.00 74.12 C ATOM 0 H MET A 42 -9.321 -2.184 9.038 1.00 50.41 H new ATOM 0 HA MET A 42 -7.739 0.093 9.746 1.00 70.31 H new ATOM 0 HB2 MET A 42 -10.701 -0.142 9.052 1.00 41.53 H new ATOM 0 HB3 MET A 42 -9.818 1.366 9.184 1.00 41.53 H new ATOM 0 HG2 MET A 42 -9.394 -0.835 7.122 1.00 23.12 H new ATOM 0 HG3 MET A 42 -10.009 0.781 6.834 1.00 23.12 H new ATOM 0 HE1 MET A 42 -6.740 2.923 7.710 1.00 74.12 H new ATOM 0 HE2 MET A 42 -8.258 3.065 6.792 1.00 74.12 H new ATOM 0 HE3 MET A 42 -8.298 2.615 8.513 1.00 74.12 H new ATOM 714 N LYS A 43 -9.784 -1.102 12.017 1.00 42.01 N ATOM 715 CA LYS A 43 -10.072 -1.058 13.469 1.00 42.51 C ATOM 716 C LYS A 43 -8.761 -1.084 14.264 1.00 22.32 C ATOM 717 O LYS A 43 -8.577 -0.291 15.183 1.00 51.45 O ATOM 718 CB LYS A 43 -10.983 -2.231 13.936 1.00 33.44 C ATOM 719 CG LYS A 43 -12.381 -2.255 13.302 1.00 21.01 C ATOM 720 CD LYS A 43 -13.170 -0.936 13.492 1.00 52.13 C ATOM 721 CE LYS A 43 -14.483 -0.912 12.680 1.00 73.43 C ATOM 722 NZ LYS A 43 -15.407 -2.016 13.055 1.00 1.42 N ATOM 0 H LYS A 43 -10.119 -1.946 11.552 1.00 42.01 H new ATOM 0 HA LYS A 43 -10.611 -0.129 13.657 1.00 42.51 H new ATOM 0 HB2 LYS A 43 -10.482 -3.173 13.712 1.00 33.44 H new ATOM 0 HB3 LYS A 43 -11.092 -2.178 15.019 1.00 33.44 H new ATOM 0 HG2 LYS A 43 -12.284 -2.460 12.236 1.00 21.01 H new ATOM 0 HG3 LYS A 43 -12.953 -3.076 13.734 1.00 21.01 H new ATOM 0 HD2 LYS A 43 -13.398 -0.801 14.549 1.00 52.13 H new ATOM 0 HD3 LYS A 43 -12.545 -0.095 13.191 1.00 52.13 H new ATOM 0 HE2 LYS A 43 -14.984 0.044 12.834 1.00 73.43 H new ATOM 0 HE3 LYS A 43 -14.250 -0.983 11.617 1.00 73.43 H new ATOM 0 HZ1 LYS A 43 -16.279 -1.945 12.493 1.00 1.42 H new ATOM 0 HZ2 LYS A 43 -14.949 -2.931 12.868 1.00 1.42 H new ATOM 0 HZ3 LYS A 43 -15.640 -1.946 14.066 1.00 1.42 H new ATOM 736 N LYS A 44 -7.841 -1.976 13.853 1.00 33.02 N ATOM 737 CA LYS A 44 -6.536 -2.157 14.520 1.00 74.21 C ATOM 738 C LYS A 44 -5.653 -0.907 14.377 1.00 30.41 C ATOM 739 O LYS A 44 -4.832 -0.615 15.251 1.00 62.33 O ATOM 740 CB LYS A 44 -5.798 -3.406 13.958 1.00 41.14 C ATOM 741 CG LYS A 44 -6.455 -4.757 14.298 1.00 20.44 C ATOM 742 CD LYS A 44 -6.601 -4.987 15.826 1.00 61.14 C ATOM 743 CE LYS A 44 -5.260 -4.964 16.585 1.00 62.20 C ATOM 744 NZ LYS A 44 -5.445 -5.166 18.046 1.00 13.14 N ATOM 0 H LYS A 44 -7.980 -2.591 13.051 1.00 33.02 H new ATOM 0 HA LYS A 44 -6.729 -2.313 15.581 1.00 74.21 H new ATOM 0 HB2 LYS A 44 -5.732 -3.313 12.874 1.00 41.14 H new ATOM 0 HB3 LYS A 44 -4.777 -3.409 14.340 1.00 41.14 H new ATOM 0 HG2 LYS A 44 -7.439 -4.805 13.832 1.00 20.44 H new ATOM 0 HG3 LYS A 44 -5.860 -5.563 13.869 1.00 20.44 H new ATOM 0 HD2 LYS A 44 -7.256 -4.220 16.239 1.00 61.14 H new ATOM 0 HD3 LYS A 44 -7.088 -5.947 15.995 1.00 61.14 H new ATOM 0 HE2 LYS A 44 -4.607 -5.743 16.191 1.00 62.20 H new ATOM 0 HE3 LYS A 44 -4.761 -4.011 16.411 1.00 62.20 H new ATOM 0 HZ1 LYS A 44 -4.519 -5.144 18.519 1.00 13.14 H new ATOM 0 HZ2 LYS A 44 -6.047 -4.409 18.428 1.00 13.14 H new ATOM 0 HZ3 LYS A 44 -5.898 -6.087 18.215 1.00 13.14 H new ATOM 758 N LEU A 45 -5.829 -0.173 13.267 1.00 65.15 N ATOM 759 CA LEU A 45 -5.110 1.081 13.036 1.00 25.22 C ATOM 760 C LEU A 45 -5.633 2.172 13.991 1.00 24.00 C ATOM 761 O LEU A 45 -4.848 2.819 14.679 1.00 1.21 O ATOM 762 CB LEU A 45 -5.206 1.505 11.546 1.00 30.10 C ATOM 763 CG LEU A 45 -4.642 0.467 10.516 1.00 35.25 C ATOM 764 CD1 LEU A 45 -4.680 1.007 9.074 1.00 14.23 C ATOM 765 CD2 LEU A 45 -3.222 0.000 10.895 1.00 23.04 C ATOM 0 H LEU A 45 -6.467 -0.432 12.515 1.00 65.15 H new ATOM 0 HA LEU A 45 -4.052 0.934 13.253 1.00 25.22 H new ATOM 0 HB2 LEU A 45 -6.252 1.698 11.307 1.00 30.10 H new ATOM 0 HB3 LEU A 45 -4.671 2.446 11.418 1.00 30.10 H new ATOM 0 HG LEU A 45 -5.298 -0.402 10.557 1.00 35.25 H new ATOM 0 HD11 LEU A 45 -4.280 0.255 8.393 1.00 14.23 H new ATOM 0 HD12 LEU A 45 -5.709 1.235 8.798 1.00 14.23 H new ATOM 0 HD13 LEU A 45 -4.077 1.913 9.009 1.00 14.23 H new ATOM 0 HD21 LEU A 45 -2.866 -0.719 10.157 1.00 23.04 H new ATOM 0 HD22 LEU A 45 -2.551 0.859 10.918 1.00 23.04 H new ATOM 0 HD23 LEU A 45 -3.244 -0.470 11.878 1.00 23.04 H new ATOM 777 N ALA A 46 -6.972 2.286 14.080 1.00 44.34 N ATOM 778 CA ALA A 46 -7.660 3.329 14.875 1.00 41.20 C ATOM 779 C ALA A 46 -7.552 3.097 16.405 1.00 14.13 C ATOM 780 O ALA A 46 -7.533 4.055 17.185 1.00 12.24 O ATOM 781 CB ALA A 46 -9.135 3.387 14.458 1.00 42.52 C ATOM 0 H ALA A 46 -7.613 1.654 13.600 1.00 44.34 H new ATOM 0 HA ALA A 46 -7.163 4.277 14.669 1.00 41.20 H new ATOM 0 HB1 ALA A 46 -9.648 4.153 15.040 1.00 42.52 H new ATOM 0 HB2 ALA A 46 -9.204 3.630 13.398 1.00 42.52 H new ATOM 0 HB3 ALA A 46 -9.603 2.420 14.640 1.00 42.52 H new ATOM 888 N LYS A 53 5.101 -0.037 11.831 1.00 21.34 N ATOM 889 CA LYS A 53 5.081 0.132 10.377 1.00 61.41 C ATOM 890 C LYS A 53 4.154 -0.945 9.803 1.00 63.35 C ATOM 891 O LYS A 53 4.515 -2.129 9.750 1.00 3.12 O ATOM 892 CB LYS A 53 6.513 0.032 9.766 1.00 75.22 C ATOM 893 CG LYS A 53 7.444 1.248 10.032 1.00 71.44 C ATOM 894 CD LYS A 53 7.816 1.447 11.522 1.00 44.21 C ATOM 895 CE LYS A 53 8.603 0.260 12.113 1.00 25.13 C ATOM 896 NZ LYS A 53 8.780 0.392 13.579 1.00 43.40 N ATOM 0 HA LYS A 53 4.713 1.126 10.121 1.00 61.41 H new ATOM 0 HB2 LYS A 53 6.994 -0.864 10.159 1.00 75.22 H new ATOM 0 HB3 LYS A 53 6.420 -0.103 8.688 1.00 75.22 H new ATOM 0 HG2 LYS A 53 8.360 1.124 9.454 1.00 71.44 H new ATOM 0 HG3 LYS A 53 6.956 2.152 9.667 1.00 71.44 H new ATOM 0 HD2 LYS A 53 8.410 2.355 11.624 1.00 44.21 H new ATOM 0 HD3 LYS A 53 6.905 1.595 12.101 1.00 44.21 H new ATOM 0 HE2 LYS A 53 8.078 -0.670 11.892 1.00 25.13 H new ATOM 0 HE3 LYS A 53 9.580 0.196 11.633 1.00 25.13 H new ATOM 0 HZ1 LYS A 53 9.314 -0.425 13.939 1.00 43.40 H new ATOM 0 HZ2 LYS A 53 9.303 1.266 13.788 1.00 43.40 H new ATOM 0 HZ3 LYS A 53 7.848 0.427 14.039 1.00 43.40 H new ATOM 910 N ILE A 54 2.944 -0.525 9.425 1.00 2.22 N ATOM 911 CA ILE A 54 1.893 -1.422 8.954 1.00 61.14 C ATOM 912 C ILE A 54 1.836 -1.357 7.425 1.00 44.14 C ATOM 913 O ILE A 54 1.533 -0.310 6.849 1.00 5.41 O ATOM 914 CB ILE A 54 0.496 -1.018 9.550 1.00 60.45 C ATOM 915 CG1 ILE A 54 0.513 -1.070 11.110 1.00 5.35 C ATOM 916 CG2 ILE A 54 -0.641 -1.893 8.973 1.00 23.35 C ATOM 917 CD1 ILE A 54 0.717 -2.452 11.696 1.00 41.25 C ATOM 0 H ILE A 54 2.667 0.457 9.438 1.00 2.22 H new ATOM 0 HA ILE A 54 2.122 -2.436 9.283 1.00 61.14 H new ATOM 0 HB ILE A 54 0.298 0.012 9.253 1.00 60.45 H new ATOM 0 HG12 ILE A 54 1.306 -0.416 11.473 1.00 5.35 H new ATOM 0 HG13 ILE A 54 -0.429 -0.667 11.484 1.00 5.35 H new ATOM 0 HG21 ILE A 54 -1.592 -1.586 9.407 1.00 23.35 H new ATOM 0 HG22 ILE A 54 -0.680 -1.772 7.890 1.00 23.35 H new ATOM 0 HG23 ILE A 54 -0.453 -2.939 9.214 1.00 23.35 H new ATOM 0 HD11 ILE A 54 0.715 -2.390 12.784 1.00 41.25 H new ATOM 0 HD12 ILE A 54 -0.089 -3.109 11.368 1.00 41.25 H new ATOM 0 HD13 ILE A 54 1.672 -2.853 11.358 1.00 41.25 H new ATOM 929 N LEU A 55 2.143 -2.474 6.777 1.00 44.35 N ATOM 930 CA LEU A 55 2.015 -2.612 5.332 1.00 55.25 C ATOM 931 C LEU A 55 0.641 -3.227 5.052 1.00 30.04 C ATOM 932 O LEU A 55 0.338 -4.290 5.563 1.00 74.41 O ATOM 933 CB LEU A 55 3.184 -3.483 4.790 1.00 10.25 C ATOM 934 CG LEU A 55 3.388 -3.502 3.233 1.00 1.15 C ATOM 935 CD1 LEU A 55 4.851 -3.796 2.873 1.00 44.40 C ATOM 936 CD2 LEU A 55 2.457 -4.513 2.522 1.00 60.24 C ATOM 0 H LEU A 55 2.489 -3.313 7.242 1.00 44.35 H new ATOM 0 HA LEU A 55 2.079 -1.651 4.822 1.00 55.25 H new ATOM 0 HB2 LEU A 55 4.109 -3.135 5.250 1.00 10.25 H new ATOM 0 HB3 LEU A 55 3.028 -4.508 5.125 1.00 10.25 H new ATOM 0 HG LEU A 55 3.123 -2.506 2.877 1.00 1.15 H new ATOM 0 HD11 LEU A 55 4.965 -3.803 1.789 1.00 44.40 H new ATOM 0 HD12 LEU A 55 5.493 -3.025 3.300 1.00 44.40 H new ATOM 0 HD13 LEU A 55 5.136 -4.769 3.274 1.00 44.40 H new ATOM 0 HD21 LEU A 55 2.641 -4.484 1.448 1.00 60.24 H new ATOM 0 HD22 LEU A 55 2.656 -5.517 2.897 1.00 60.24 H new ATOM 0 HD23 LEU A 55 1.417 -4.251 2.719 1.00 60.24 H new ATOM 948 N ILE A 56 -0.200 -2.534 4.283 1.00 20.30 N ATOM 949 CA ILE A 56 -1.492 -3.075 3.838 1.00 61.31 C ATOM 950 C ILE A 56 -1.333 -3.572 2.384 1.00 23.54 C ATOM 951 O ILE A 56 -0.746 -2.873 1.557 1.00 3.12 O ATOM 952 CB ILE A 56 -2.641 -1.993 3.876 1.00 23.55 C ATOM 953 CG1 ILE A 56 -2.750 -1.249 5.260 1.00 24.44 C ATOM 954 CG2 ILE A 56 -3.997 -2.642 3.494 1.00 30.14 C ATOM 955 CD1 ILE A 56 -3.276 -2.078 6.413 1.00 3.51 C ATOM 0 H ILE A 56 -0.010 -1.588 3.951 1.00 20.30 H new ATOM 0 HA ILE A 56 -1.772 -3.882 4.515 1.00 61.31 H new ATOM 0 HB ILE A 56 -2.381 -1.231 3.142 1.00 23.55 H new ATOM 0 HG12 ILE A 56 -1.763 -0.873 5.528 1.00 24.44 H new ATOM 0 HG13 ILE A 56 -3.398 -0.382 5.135 1.00 24.44 H new ATOM 0 HG21 ILE A 56 -4.783 -1.887 3.523 1.00 30.14 H new ATOM 0 HG22 ILE A 56 -3.931 -3.058 2.489 1.00 30.14 H new ATOM 0 HG23 ILE A 56 -4.232 -3.438 4.201 1.00 30.14 H new ATOM 0 HD11 ILE A 56 -3.309 -1.467 7.315 1.00 3.51 H new ATOM 0 HD12 ILE A 56 -4.279 -2.433 6.178 1.00 3.51 H new ATOM 0 HD13 ILE A 56 -2.618 -2.932 6.577 1.00 3.51 H new ATOM 967 N ILE A 57 -1.826 -4.785 2.083 1.00 74.13 N ATOM 968 CA ILE A 57 -1.949 -5.275 0.698 1.00 72.52 C ATOM 969 C ILE A 57 -3.430 -5.235 0.298 1.00 11.42 C ATOM 970 O ILE A 57 -4.275 -5.806 0.978 1.00 63.32 O ATOM 971 CB ILE A 57 -1.360 -6.729 0.517 1.00 53.42 C ATOM 972 CG1 ILE A 57 0.168 -6.731 0.835 1.00 55.31 C ATOM 973 CG2 ILE A 57 -1.632 -7.273 -0.911 1.00 63.23 C ATOM 974 CD1 ILE A 57 0.869 -8.073 0.685 1.00 42.31 C ATOM 0 H ILE A 57 -2.149 -5.450 2.786 1.00 74.13 H new ATOM 0 HA ILE A 57 -1.362 -4.626 0.047 1.00 72.52 H new ATOM 0 HB ILE A 57 -1.863 -7.393 1.220 1.00 53.42 H new ATOM 0 HG12 ILE A 57 0.658 -6.010 0.180 1.00 55.31 H new ATOM 0 HG13 ILE A 57 0.309 -6.380 1.857 1.00 55.31 H new ATOM 0 HG21 ILE A 57 -1.214 -8.276 -1.004 1.00 63.23 H new ATOM 0 HG22 ILE A 57 -2.707 -7.310 -1.088 1.00 63.23 H new ATOM 0 HG23 ILE A 57 -1.166 -6.616 -1.645 1.00 63.23 H new ATOM 0 HD11 ILE A 57 1.925 -7.961 0.930 1.00 42.31 H new ATOM 0 HD12 ILE A 57 0.415 -8.798 1.360 1.00 42.31 H new ATOM 0 HD13 ILE A 57 0.770 -8.422 -0.343 1.00 42.31 H new ATOM 986 N SER A 58 -3.725 -4.534 -0.798 1.00 74.21 N ATOM 987 CA SER A 58 -5.064 -4.419 -1.371 1.00 44.21 C ATOM 988 C SER A 58 -5.003 -4.929 -2.815 1.00 51.00 C ATOM 989 O SER A 58 -4.167 -4.480 -3.600 1.00 13.44 O ATOM 990 CB SER A 58 -5.532 -2.943 -1.312 1.00 12.21 C ATOM 991 OG SER A 58 -6.846 -2.788 -1.820 1.00 11.40 O ATOM 0 H SER A 58 -3.020 -4.018 -1.324 1.00 74.21 H new ATOM 0 HA SER A 58 -5.783 -5.014 -0.808 1.00 44.21 H new ATOM 0 HB2 SER A 58 -5.497 -2.591 -0.281 1.00 12.21 H new ATOM 0 HB3 SER A 58 -4.845 -2.320 -1.885 1.00 12.21 H new ATOM 0 HG SER A 58 -6.803 -2.464 -2.744 1.00 11.40 H new ATOM 997 N ASN A 59 -5.841 -5.911 -3.156 1.00 0.01 N ATOM 998 CA ASN A 59 -5.896 -6.471 -4.527 1.00 35.24 C ATOM 999 C ASN A 59 -6.936 -5.701 -5.374 1.00 53.23 C ATOM 1000 O ASN A 59 -7.069 -5.930 -6.579 1.00 14.45 O ATOM 1001 CB ASN A 59 -6.231 -7.994 -4.454 1.00 45.14 C ATOM 1002 CG ASN A 59 -5.855 -8.807 -5.712 1.00 70.40 C ATOM 1003 OD1 ASN A 59 -5.797 -8.302 -6.834 1.00 44.40 O ATOM 1004 ND2 ASN A 59 -5.597 -10.091 -5.526 1.00 14.32 N ATOM 0 H ASN A 59 -6.497 -6.343 -2.505 1.00 0.01 H new ATOM 0 HA ASN A 59 -4.926 -6.357 -5.011 1.00 35.24 H new ATOM 0 HB2 ASN A 59 -5.715 -8.423 -3.595 1.00 45.14 H new ATOM 0 HB3 ASN A 59 -7.300 -8.107 -4.273 1.00 45.14 H new ATOM 0 HD21 ASN A 59 -5.345 -10.681 -6.319 1.00 14.32 H new ATOM 0 HD22 ASN A 59 -5.650 -10.491 -4.589 1.00 14.32 H new ATOM 1011 N ASP A 60 -7.678 -4.783 -4.733 1.00 51.13 N ATOM 1012 CA ASP A 60 -8.797 -4.063 -5.381 1.00 23.44 C ATOM 1013 C ASP A 60 -8.756 -2.546 -5.100 1.00 54.10 C ATOM 1014 O ASP A 60 -8.427 -2.113 -3.993 1.00 1.02 O ATOM 1015 CB ASP A 60 -10.120 -4.689 -4.891 1.00 45.21 C ATOM 1016 CG ASP A 60 -11.369 -4.019 -5.468 1.00 25.23 C ATOM 1017 OD1 ASP A 60 -11.662 -4.214 -6.669 1.00 42.11 O ATOM 1018 OD2 ASP A 60 -12.067 -3.306 -4.728 1.00 64.03 O ATOM 0 H ASP A 60 -7.525 -4.518 -3.760 1.00 51.13 H new ATOM 0 HA ASP A 60 -8.711 -4.168 -6.463 1.00 23.44 H new ATOM 0 HB2 ASP A 60 -10.131 -5.746 -5.155 1.00 45.21 H new ATOM 0 HB3 ASP A 60 -10.158 -4.632 -3.803 1.00 45.21 H new ATOM 1023 N LYS A 61 -9.141 -1.756 -6.122 1.00 73.34 N ATOM 1024 CA LYS A 61 -9.101 -0.282 -6.085 1.00 11.22 C ATOM 1025 C LYS A 61 -10.150 0.313 -5.121 1.00 32.42 C ATOM 1026 O LYS A 61 -9.857 1.300 -4.447 1.00 15.44 O ATOM 1027 CB LYS A 61 -9.283 0.313 -7.513 1.00 22.11 C ATOM 1028 CG LYS A 61 -8.047 0.170 -8.434 1.00 62.13 C ATOM 1029 CD LYS A 61 -8.204 0.962 -9.759 1.00 62.12 C ATOM 1030 CE LYS A 61 -6.874 1.145 -10.516 1.00 44.10 C ATOM 1031 NZ LYS A 61 -6.293 -0.136 -10.968 1.00 55.21 N ATOM 0 H LYS A 61 -9.492 -2.128 -7.005 1.00 73.34 H new ATOM 0 HA LYS A 61 -8.117 -0.005 -5.706 1.00 11.22 H new ATOM 0 HB2 LYS A 61 -10.133 -0.175 -7.990 1.00 22.11 H new ATOM 0 HB3 LYS A 61 -9.532 1.370 -7.423 1.00 22.11 H new ATOM 0 HG2 LYS A 61 -7.161 0.522 -7.906 1.00 62.13 H new ATOM 0 HG3 LYS A 61 -7.886 -0.884 -8.660 1.00 62.13 H new ATOM 0 HD2 LYS A 61 -8.913 0.443 -10.404 1.00 62.12 H new ATOM 0 HD3 LYS A 61 -8.629 1.942 -9.541 1.00 62.12 H new ATOM 0 HE2 LYS A 61 -7.038 1.789 -11.380 1.00 44.10 H new ATOM 0 HE3 LYS A 61 -6.160 1.655 -9.869 1.00 44.10 H new ATOM 0 HZ1 LYS A 61 -5.282 -0.163 -10.726 1.00 55.21 H new ATOM 0 HZ2 LYS A 61 -6.782 -0.924 -10.498 1.00 55.21 H new ATOM 0 HZ3 LYS A 61 -6.405 -0.224 -11.998 1.00 55.21 H new ATOM 1045 N GLN A 62 -11.354 -0.304 -5.048 1.00 12.21 N ATOM 1046 CA GLN A 62 -12.463 0.184 -4.187 1.00 51.04 C ATOM 1047 C GLN A 62 -12.052 0.070 -2.715 1.00 45.11 C ATOM 1048 O GLN A 62 -12.299 0.984 -1.922 1.00 75.41 O ATOM 1049 CB GLN A 62 -13.782 -0.610 -4.458 1.00 21.14 C ATOM 1050 CG GLN A 62 -14.948 -0.353 -3.458 1.00 41.11 C ATOM 1051 CD GLN A 62 -15.639 1.008 -3.609 1.00 41.11 C ATOM 1052 OE1 GLN A 62 -15.062 1.977 -4.095 1.00 35.23 O ATOM 1053 NE2 GLN A 62 -16.875 1.095 -3.137 1.00 5.22 N ATOM 0 H GLN A 62 -11.584 -1.145 -5.577 1.00 12.21 H new ATOM 0 HA GLN A 62 -12.659 1.229 -4.426 1.00 51.04 H new ATOM 0 HB2 GLN A 62 -14.130 -0.367 -5.462 1.00 21.14 H new ATOM 0 HB3 GLN A 62 -13.550 -1.675 -4.450 1.00 21.14 H new ATOM 0 HG2 GLN A 62 -15.693 -1.139 -3.582 1.00 41.11 H new ATOM 0 HG3 GLN A 62 -14.562 -0.437 -2.442 1.00 41.11 H new ATOM 0 HE21 GLN A 62 -17.328 0.272 -2.739 1.00 5.22 H new ATOM 0 HE22 GLN A 62 -17.373 1.985 -3.172 1.00 5.22 H new ATOM 1062 N LEU A 63 -11.389 -1.058 -2.378 1.00 11.44 N ATOM 1063 CA LEU A 63 -10.818 -1.293 -1.041 1.00 50.10 C ATOM 1064 C LEU A 63 -9.835 -0.174 -0.676 1.00 24.30 C ATOM 1065 O LEU A 63 -9.959 0.448 0.370 1.00 11.25 O ATOM 1066 CB LEU A 63 -10.109 -2.675 -0.990 1.00 51.32 C ATOM 1067 CG LEU A 63 -11.038 -3.915 -1.124 1.00 72.22 C ATOM 1068 CD1 LEU A 63 -10.225 -5.225 -1.195 1.00 62.52 C ATOM 1069 CD2 LEU A 63 -12.065 -3.950 0.027 1.00 64.53 C ATOM 0 H LEU A 63 -11.237 -1.829 -3.028 1.00 11.44 H new ATOM 0 HA LEU A 63 -11.629 -1.293 -0.313 1.00 50.10 H new ATOM 0 HB2 LEU A 63 -9.367 -2.712 -1.788 1.00 51.32 H new ATOM 0 HB3 LEU A 63 -9.567 -2.750 -0.047 1.00 51.32 H new ATOM 0 HG LEU A 63 -11.585 -3.827 -2.062 1.00 72.22 H new ATOM 0 HD11 LEU A 63 -10.906 -6.071 -1.288 1.00 62.52 H new ATOM 0 HD12 LEU A 63 -9.562 -5.195 -2.060 1.00 62.52 H new ATOM 0 HD13 LEU A 63 -9.632 -5.335 -0.287 1.00 62.52 H new ATOM 0 HD21 LEU A 63 -12.706 -4.825 -0.084 1.00 64.53 H new ATOM 0 HD22 LEU A 63 -11.541 -4.003 0.981 1.00 64.53 H new ATOM 0 HD23 LEU A 63 -12.675 -3.047 -0.002 1.00 64.53 H new ATOM 1081 N LEU A 64 -8.900 0.104 -1.587 1.00 12.21 N ATOM 1082 CA LEU A 64 -7.883 1.148 -1.394 1.00 21.12 C ATOM 1083 C LEU A 64 -8.532 2.528 -1.121 1.00 15.44 C ATOM 1084 O LEU A 64 -8.094 3.248 -0.225 1.00 0.35 O ATOM 1085 CB LEU A 64 -6.942 1.170 -2.627 1.00 25.12 C ATOM 1086 CG LEU A 64 -5.764 2.207 -2.589 1.00 64.31 C ATOM 1087 CD1 LEU A 64 -4.536 1.683 -3.338 1.00 54.41 C ATOM 1088 CD2 LEU A 64 -6.171 3.581 -3.158 1.00 24.30 C ATOM 0 H LEU A 64 -8.824 -0.385 -2.479 1.00 12.21 H new ATOM 0 HA LEU A 64 -7.289 0.918 -0.510 1.00 21.12 H new ATOM 0 HB2 LEU A 64 -6.516 0.174 -2.749 1.00 25.12 H new ATOM 0 HB3 LEU A 64 -7.545 1.370 -3.513 1.00 25.12 H new ATOM 0 HG LEU A 64 -5.511 2.340 -1.537 1.00 64.31 H new ATOM 0 HD11 LEU A 64 -3.738 2.425 -3.293 1.00 54.41 H new ATOM 0 HD12 LEU A 64 -4.196 0.756 -2.876 1.00 54.41 H new ATOM 0 HD13 LEU A 64 -4.798 1.495 -4.379 1.00 54.41 H new ATOM 0 HD21 LEU A 64 -5.321 4.261 -3.109 1.00 24.30 H new ATOM 0 HD22 LEU A 64 -6.485 3.467 -4.196 1.00 24.30 H new ATOM 0 HD23 LEU A 64 -6.996 3.988 -2.572 1.00 24.30 H new ATOM 1100 N LYS A 65 -9.578 2.858 -1.906 1.00 31.43 N ATOM 1101 CA LYS A 65 -10.310 4.143 -1.817 1.00 45.14 C ATOM 1102 C LYS A 65 -10.899 4.370 -0.411 1.00 10.42 C ATOM 1103 O LYS A 65 -10.601 5.377 0.244 1.00 51.15 O ATOM 1104 CB LYS A 65 -11.460 4.163 -2.863 1.00 15.11 C ATOM 1105 CG LYS A 65 -11.028 4.255 -4.342 1.00 4.15 C ATOM 1106 CD LYS A 65 -12.181 3.937 -5.339 1.00 53.32 C ATOM 1107 CE LYS A 65 -13.384 4.912 -5.278 1.00 2.22 C ATOM 1108 NZ LYS A 65 -14.262 4.725 -4.084 1.00 44.13 N ATOM 0 H LYS A 65 -9.943 2.236 -2.627 1.00 31.43 H new ATOM 0 HA LYS A 65 -9.599 4.944 -2.020 1.00 45.14 H new ATOM 0 HB2 LYS A 65 -12.057 3.260 -2.735 1.00 15.11 H new ATOM 0 HB3 LYS A 65 -12.111 5.009 -2.642 1.00 15.11 H new ATOM 0 HG2 LYS A 65 -10.650 5.258 -4.542 1.00 4.15 H new ATOM 0 HG3 LYS A 65 -10.204 3.563 -4.517 1.00 4.15 H new ATOM 0 HD2 LYS A 65 -11.778 3.943 -6.352 1.00 53.32 H new ATOM 0 HD3 LYS A 65 -12.541 2.927 -5.145 1.00 53.32 H new ATOM 0 HE2 LYS A 65 -13.009 5.935 -5.283 1.00 2.22 H new ATOM 0 HE3 LYS A 65 -13.984 4.788 -6.180 1.00 2.22 H new ATOM 0 HZ1 LYS A 65 -15.188 5.164 -4.262 1.00 44.13 H new ATOM 0 HZ2 LYS A 65 -14.389 3.709 -3.902 1.00 44.13 H new ATOM 0 HZ3 LYS A 65 -13.821 5.172 -3.255 1.00 44.13 H new ATOM 1122 N GLU A 66 -11.740 3.406 0.031 1.00 70.12 N ATOM 1123 CA GLU A 66 -12.455 3.481 1.320 1.00 55.43 C ATOM 1124 C GLU A 66 -11.456 3.558 2.483 1.00 35.24 C ATOM 1125 O GLU A 66 -11.626 4.343 3.415 1.00 10.42 O ATOM 1126 CB GLU A 66 -13.386 2.251 1.521 1.00 62.42 C ATOM 1127 CG GLU A 66 -14.356 1.935 0.360 1.00 20.23 C ATOM 1128 CD GLU A 66 -15.109 3.167 -0.188 1.00 72.42 C ATOM 1129 OE1 GLU A 66 -16.017 3.684 0.507 1.00 50.13 O ATOM 1130 OE2 GLU A 66 -14.786 3.637 -1.311 1.00 2.00 O ATOM 0 H GLU A 66 -11.940 2.557 -0.498 1.00 70.12 H new ATOM 0 HA GLU A 66 -13.067 4.383 1.305 1.00 55.43 H new ATOM 0 HB2 GLU A 66 -12.763 1.374 1.696 1.00 62.42 H new ATOM 0 HB3 GLU A 66 -13.974 2.410 2.425 1.00 62.42 H new ATOM 0 HG2 GLU A 66 -13.794 1.475 -0.453 1.00 20.23 H new ATOM 0 HG3 GLU A 66 -15.085 1.199 0.700 1.00 20.23 H new ATOM 1137 N MET A 67 -10.412 2.723 2.379 1.00 13.11 N ATOM 1138 CA MET A 67 -9.328 2.625 3.357 1.00 53.33 C ATOM 1139 C MET A 67 -8.598 3.972 3.529 1.00 44.55 C ATOM 1140 O MET A 67 -8.420 4.415 4.657 1.00 4.15 O ATOM 1141 CB MET A 67 -8.372 1.494 2.910 1.00 60.12 C ATOM 1142 CG MET A 67 -7.098 1.300 3.738 1.00 23.14 C ATOM 1143 SD MET A 67 -6.409 -0.366 3.552 1.00 14.23 S ATOM 1144 CE MET A 67 -6.582 -0.689 1.793 1.00 20.13 C ATOM 0 H MET A 67 -10.299 2.084 1.592 1.00 13.11 H new ATOM 0 HA MET A 67 -9.735 2.382 4.338 1.00 53.33 H new ATOM 0 HB2 MET A 67 -8.928 0.556 2.917 1.00 60.12 H new ATOM 0 HB3 MET A 67 -8.080 1.684 1.877 1.00 60.12 H new ATOM 0 HG2 MET A 67 -6.353 2.036 3.434 1.00 23.14 H new ATOM 0 HG3 MET A 67 -7.318 1.485 4.789 1.00 23.14 H new ATOM 0 HE1 MET A 67 -6.052 -1.607 1.538 1.00 20.13 H new ATOM 0 HE2 MET A 67 -7.638 -0.799 1.545 1.00 20.13 H new ATOM 0 HE3 MET A 67 -6.161 0.142 1.227 1.00 20.13 H new ATOM 1154 N LEU A 68 -8.226 4.637 2.406 1.00 24.41 N ATOM 1155 CA LEU A 68 -7.534 5.953 2.440 1.00 10.34 C ATOM 1156 C LEU A 68 -8.443 7.058 3.010 1.00 2.31 C ATOM 1157 O LEU A 68 -7.959 7.994 3.636 1.00 42.50 O ATOM 1158 CB LEU A 68 -7.031 6.376 1.031 1.00 20.30 C ATOM 1159 CG LEU A 68 -5.821 5.584 0.449 1.00 44.13 C ATOM 1160 CD1 LEU A 68 -5.449 6.129 -0.933 1.00 71.12 C ATOM 1161 CD2 LEU A 68 -4.603 5.621 1.394 1.00 75.31 C ATOM 0 H LEU A 68 -8.394 4.284 1.464 1.00 24.41 H new ATOM 0 HA LEU A 68 -6.673 5.830 3.097 1.00 10.34 H new ATOM 0 HB2 LEU A 68 -7.863 6.287 0.332 1.00 20.30 H new ATOM 0 HB3 LEU A 68 -6.759 7.431 1.070 1.00 20.30 H new ATOM 0 HG LEU A 68 -6.122 4.541 0.351 1.00 44.13 H new ATOM 0 HD11 LEU A 68 -4.603 5.568 -1.330 1.00 71.12 H new ATOM 0 HD12 LEU A 68 -6.300 6.026 -1.606 1.00 71.12 H new ATOM 0 HD13 LEU A 68 -5.179 7.182 -0.848 1.00 71.12 H new ATOM 0 HD21 LEU A 68 -3.782 5.057 0.951 1.00 75.31 H new ATOM 0 HD22 LEU A 68 -4.293 6.655 1.547 1.00 75.31 H new ATOM 0 HD23 LEU A 68 -4.872 5.177 2.352 1.00 75.31 H new ATOM 1173 N GLU A 69 -9.760 6.933 2.770 1.00 34.13 N ATOM 1174 CA GLU A 69 -10.772 7.877 3.286 1.00 23.43 C ATOM 1175 C GLU A 69 -10.801 7.814 4.831 1.00 11.33 C ATOM 1176 O GLU A 69 -10.900 8.842 5.516 1.00 34.41 O ATOM 1177 CB GLU A 69 -12.183 7.548 2.674 1.00 2.44 C ATOM 1178 CG GLU A 69 -12.892 8.735 1.994 1.00 21.30 C ATOM 1179 CD GLU A 69 -13.133 9.932 2.933 1.00 63.21 C ATOM 1180 OE1 GLU A 69 -14.049 9.855 3.781 1.00 31.45 O ATOM 1181 OE2 GLU A 69 -12.397 10.944 2.847 1.00 54.33 O ATOM 0 H GLU A 69 -10.155 6.175 2.213 1.00 34.13 H new ATOM 0 HA GLU A 69 -10.509 8.892 2.989 1.00 23.43 H new ATOM 0 HB2 GLU A 69 -12.068 6.747 1.944 1.00 2.44 H new ATOM 0 HB3 GLU A 69 -12.826 7.166 3.467 1.00 2.44 H new ATOM 0 HG2 GLU A 69 -12.294 9.065 1.144 1.00 21.30 H new ATOM 0 HG3 GLU A 69 -13.849 8.397 1.598 1.00 21.30 H new ATOM 1188 N LEU A 70 -10.714 6.576 5.344 1.00 63.21 N ATOM 1189 CA LEU A 70 -10.598 6.281 6.786 1.00 20.11 C ATOM 1190 C LEU A 70 -9.251 6.793 7.353 1.00 42.03 C ATOM 1191 O LEU A 70 -9.227 7.403 8.420 1.00 61.15 O ATOM 1192 CB LEU A 70 -10.757 4.750 7.028 1.00 44.13 C ATOM 1193 CG LEU A 70 -12.127 4.130 6.603 1.00 12.13 C ATOM 1194 CD1 LEU A 70 -12.126 2.591 6.725 1.00 34.14 C ATOM 1195 CD2 LEU A 70 -13.287 4.744 7.405 1.00 12.43 C ATOM 0 H LEU A 70 -10.722 5.738 4.762 1.00 63.21 H new ATOM 0 HA LEU A 70 -11.396 6.804 7.313 1.00 20.11 H new ATOM 0 HB2 LEU A 70 -9.963 4.232 6.489 1.00 44.13 H new ATOM 0 HB3 LEU A 70 -10.604 4.552 8.089 1.00 44.13 H new ATOM 0 HG LEU A 70 -12.276 4.372 5.551 1.00 12.13 H new ATOM 0 HD11 LEU A 70 -13.097 2.201 6.420 1.00 34.14 H new ATOM 0 HD12 LEU A 70 -11.350 2.176 6.082 1.00 34.14 H new ATOM 0 HD13 LEU A 70 -11.930 2.308 7.759 1.00 34.14 H new ATOM 0 HD21 LEU A 70 -14.227 4.293 7.088 1.00 12.43 H new ATOM 0 HD22 LEU A 70 -13.135 4.555 8.468 1.00 12.43 H new ATOM 0 HD23 LEU A 70 -13.322 5.819 7.229 1.00 12.43 H new ATOM 1207 N ILE A 71 -8.143 6.578 6.596 1.00 22.00 N ATOM 1208 CA ILE A 71 -6.777 7.010 6.997 1.00 5.32 C ATOM 1209 C ILE A 71 -6.698 8.549 7.065 1.00 63.04 C ATOM 1210 O ILE A 71 -5.996 9.104 7.914 1.00 13.42 O ATOM 1211 CB ILE A 71 -5.662 6.477 6.005 1.00 44.21 C ATOM 1212 CG1 ILE A 71 -5.635 4.918 5.963 1.00 31.15 C ATOM 1213 CG2 ILE A 71 -4.261 7.025 6.381 1.00 32.30 C ATOM 1214 CD1 ILE A 71 -4.738 4.308 4.889 1.00 3.12 C ATOM 0 H ILE A 71 -8.171 6.102 5.694 1.00 22.00 H new ATOM 0 HA ILE A 71 -6.588 6.581 7.981 1.00 5.32 H new ATOM 0 HB ILE A 71 -5.919 6.843 5.011 1.00 44.21 H new ATOM 0 HG12 ILE A 71 -5.309 4.551 6.936 1.00 31.15 H new ATOM 0 HG13 ILE A 71 -6.652 4.558 5.810 1.00 31.15 H new ATOM 0 HG21 ILE A 71 -3.520 6.640 5.681 1.00 32.30 H new ATOM 0 HG22 ILE A 71 -4.272 8.114 6.335 1.00 32.30 H new ATOM 0 HG23 ILE A 71 -4.005 6.707 7.392 1.00 32.30 H new ATOM 0 HD11 ILE A 71 -4.791 3.221 4.945 1.00 3.12 H new ATOM 0 HD12 ILE A 71 -5.073 4.637 3.905 1.00 3.12 H new ATOM 0 HD13 ILE A 71 -3.709 4.630 5.048 1.00 3.12 H new ATOM 1226 N SER A 72 -7.442 9.219 6.166 1.00 22.24 N ATOM 1227 CA SER A 72 -7.511 10.683 6.093 1.00 63.14 C ATOM 1228 C SER A 72 -8.074 11.259 7.410 1.00 43.22 C ATOM 1229 O SER A 72 -7.672 12.342 7.850 1.00 22.20 O ATOM 1230 CB SER A 72 -8.376 11.100 4.876 1.00 65.12 C ATOM 1231 OG SER A 72 -8.410 12.503 4.698 1.00 25.30 O ATOM 0 H SER A 72 -8.016 8.751 5.465 1.00 22.24 H new ATOM 0 HA SER A 72 -6.509 11.090 5.958 1.00 63.14 H new ATOM 0 HB2 SER A 72 -7.981 10.631 3.975 1.00 65.12 H new ATOM 0 HB3 SER A 72 -9.392 10.728 5.010 1.00 65.12 H new ATOM 0 HG SER A 72 -8.965 12.721 3.920 1.00 25.30 H new ATOM 1237 N LYS A 73 -8.992 10.491 8.040 1.00 52.44 N ATOM 1238 CA LYS A 73 -9.563 10.819 9.358 1.00 24.02 C ATOM 1239 C LYS A 73 -8.553 10.518 10.485 1.00 24.32 C ATOM 1240 O LYS A 73 -8.371 11.331 11.399 1.00 42.15 O ATOM 1241 CB LYS A 73 -10.871 10.008 9.586 1.00 72.31 C ATOM 1242 CG LYS A 73 -11.920 10.143 8.460 1.00 30.53 C ATOM 1243 CD LYS A 73 -12.396 11.599 8.246 1.00 13.11 C ATOM 1244 CE LYS A 73 -13.295 11.745 7.009 1.00 34.42 C ATOM 1245 NZ LYS A 73 -12.576 11.355 5.765 1.00 2.41 N ATOM 0 H LYS A 73 -9.356 9.624 7.644 1.00 52.44 H new ATOM 0 HA LYS A 73 -9.792 11.885 9.378 1.00 24.02 H new ATOM 0 HB2 LYS A 73 -10.614 8.955 9.700 1.00 72.31 H new ATOM 0 HB3 LYS A 73 -11.322 10.329 10.525 1.00 72.31 H new ATOM 0 HG2 LYS A 73 -11.496 9.765 7.530 1.00 30.53 H new ATOM 0 HG3 LYS A 73 -12.780 9.517 8.696 1.00 30.53 H new ATOM 0 HD2 LYS A 73 -12.940 11.934 9.129 1.00 13.11 H new ATOM 0 HD3 LYS A 73 -11.528 12.250 8.140 1.00 13.11 H new ATOM 0 HE2 LYS A 73 -14.183 11.124 7.128 1.00 34.42 H new ATOM 0 HE3 LYS A 73 -13.636 12.777 6.925 1.00 34.42 H new ATOM 0 HZ1 LYS A 73 -12.632 12.130 5.074 1.00 2.41 H new ATOM 0 HZ2 LYS A 73 -11.579 11.161 5.987 1.00 2.41 H new ATOM 0 HZ3 LYS A 73 -13.014 10.501 5.364 1.00 2.41 H new ATOM 1259 N LEU A 74 -7.901 9.336 10.395 1.00 0.03 N ATOM 1260 CA LEU A 74 -7.016 8.807 11.462 1.00 21.32 C ATOM 1261 C LEU A 74 -5.712 9.632 11.607 1.00 15.12 C ATOM 1262 O LEU A 74 -5.185 9.767 12.713 1.00 63.10 O ATOM 1263 CB LEU A 74 -6.689 7.309 11.194 1.00 33.15 C ATOM 1264 CG LEU A 74 -7.906 6.328 11.105 1.00 12.43 C ATOM 1265 CD1 LEU A 74 -7.457 4.871 10.841 1.00 2.12 C ATOM 1266 CD2 LEU A 74 -8.801 6.420 12.358 1.00 52.31 C ATOM 0 H LEU A 74 -7.972 8.722 9.583 1.00 0.03 H new ATOM 0 HA LEU A 74 -7.554 8.894 12.406 1.00 21.32 H new ATOM 0 HB2 LEU A 74 -6.131 7.244 10.260 1.00 33.15 H new ATOM 0 HB3 LEU A 74 -6.027 6.958 11.986 1.00 33.15 H new ATOM 0 HG LEU A 74 -8.503 6.641 10.249 1.00 12.43 H new ATOM 0 HD11 LEU A 74 -8.333 4.225 10.787 1.00 2.12 H new ATOM 0 HD12 LEU A 74 -6.912 4.823 9.898 1.00 2.12 H new ATOM 0 HD13 LEU A 74 -6.809 4.537 11.652 1.00 2.12 H new ATOM 0 HD21 LEU A 74 -9.635 5.725 12.261 1.00 52.31 H new ATOM 0 HD22 LEU A 74 -8.217 6.164 13.242 1.00 52.31 H new ATOM 0 HD23 LEU A 74 -9.184 7.436 12.458 1.00 52.31 H new ATOM 1278 N GLY A 75 -5.210 10.166 10.477 1.00 40.44 N ATOM 1279 CA GLY A 75 -4.024 11.029 10.458 1.00 31.41 C ATOM 1280 C GLY A 75 -2.707 10.257 10.525 1.00 41.24 C ATOM 1281 O GLY A 75 -1.992 10.327 11.529 1.00 71.14 O ATOM 0 H GLY A 75 -5.618 10.009 9.555 1.00 40.44 H new ATOM 0 HA2 GLY A 75 -4.037 11.631 9.549 1.00 31.41 H new ATOM 0 HA3 GLY A 75 -4.074 11.720 11.299 1.00 31.41 H new ATOM 1285 N TYR A 76 -2.382 9.519 9.442 1.00 62.50 N ATOM 1286 CA TYR A 76 -1.132 8.715 9.345 1.00 52.52 C ATOM 1287 C TYR A 76 -0.339 9.075 8.079 1.00 63.11 C ATOM 1288 O TYR A 76 -0.932 9.450 7.057 1.00 44.32 O ATOM 1289 CB TYR A 76 -1.445 7.190 9.352 1.00 52.02 C ATOM 1290 CG TYR A 76 -2.161 6.682 10.613 1.00 12.02 C ATOM 1291 CD1 TYR A 76 -1.770 7.103 11.889 1.00 65.53 C ATOM 1292 CD2 TYR A 76 -3.219 5.774 10.529 1.00 0.42 C ATOM 1293 CE1 TYR A 76 -2.415 6.648 13.019 1.00 52.30 C ATOM 1294 CE2 TYR A 76 -3.860 5.315 11.659 1.00 40.30 C ATOM 1295 CZ TYR A 76 -3.456 5.756 12.896 1.00 50.01 C ATOM 1296 OH TYR A 76 -4.108 5.316 14.014 1.00 71.22 O ATOM 0 H TYR A 76 -2.971 9.460 8.611 1.00 62.50 H new ATOM 0 HA TYR A 76 -0.525 8.953 10.218 1.00 52.52 H new ATOM 0 HB2 TYR A 76 -2.061 6.956 8.483 1.00 52.02 H new ATOM 0 HB3 TYR A 76 -0.510 6.642 9.237 1.00 52.02 H new ATOM 0 HD1 TYR A 76 -0.948 7.797 11.990 1.00 65.53 H new ATOM 0 HD2 TYR A 76 -3.541 5.425 9.559 1.00 0.42 H new ATOM 0 HE1 TYR A 76 -2.105 6.990 13.996 1.00 52.30 H new ATOM 0 HE2 TYR A 76 -4.676 4.612 11.573 1.00 40.30 H new ATOM 0 HH TYR A 76 -4.233 4.346 13.959 1.00 71.22 H new ATOM 1306 N LYS A 77 1.008 8.963 8.163 1.00 52.31 N ATOM 1307 CA LYS A 77 1.894 9.162 7.007 1.00 30.32 C ATOM 1308 C LYS A 77 1.888 7.864 6.174 1.00 53.12 C ATOM 1309 O LYS A 77 2.370 6.814 6.626 1.00 3.15 O ATOM 1310 CB LYS A 77 3.352 9.555 7.447 1.00 33.34 C ATOM 1311 CG LYS A 77 4.181 10.350 6.383 1.00 53.51 C ATOM 1312 CD LYS A 77 4.446 9.567 5.063 1.00 13.41 C ATOM 1313 CE LYS A 77 5.074 10.415 3.947 1.00 51.10 C ATOM 1314 NZ LYS A 77 5.134 9.677 2.653 1.00 30.45 N ATOM 0 H LYS A 77 1.500 8.735 9.027 1.00 52.31 H new ATOM 0 HA LYS A 77 1.528 9.994 6.405 1.00 30.32 H new ATOM 0 HB2 LYS A 77 3.291 10.153 8.356 1.00 33.34 H new ATOM 0 HB3 LYS A 77 3.895 8.645 7.700 1.00 33.34 H new ATOM 0 HG2 LYS A 77 3.654 11.274 6.144 1.00 53.51 H new ATOM 0 HG3 LYS A 77 5.138 10.633 6.822 1.00 53.51 H new ATOM 0 HD2 LYS A 77 5.103 8.725 5.278 1.00 13.41 H new ATOM 0 HD3 LYS A 77 3.504 9.152 4.704 1.00 13.41 H new ATOM 0 HE2 LYS A 77 4.495 11.329 3.817 1.00 51.10 H new ATOM 0 HE3 LYS A 77 6.080 10.714 4.241 1.00 51.10 H new ATOM 0 HZ1 LYS A 77 5.469 10.316 1.904 1.00 30.45 H new ATOM 0 HZ2 LYS A 77 5.789 8.874 2.741 1.00 30.45 H new ATOM 0 HZ3 LYS A 77 4.186 9.326 2.409 1.00 30.45 H new ATOM 1328 N VAL A 78 1.330 7.960 4.962 1.00 12.41 N ATOM 1329 CA VAL A 78 1.221 6.836 4.023 1.00 23.23 C ATOM 1330 C VAL A 78 2.265 6.961 2.901 1.00 1.52 C ATOM 1331 O VAL A 78 2.499 8.053 2.362 1.00 30.14 O ATOM 1332 CB VAL A 78 -0.225 6.762 3.405 1.00 23.22 C ATOM 1333 CG1 VAL A 78 -0.388 5.593 2.398 1.00 14.32 C ATOM 1334 CG2 VAL A 78 -1.275 6.657 4.525 1.00 74.32 C ATOM 0 H VAL A 78 0.937 8.829 4.601 1.00 12.41 H new ATOM 0 HA VAL A 78 1.411 5.917 4.578 1.00 23.23 H new ATOM 0 HB VAL A 78 -0.381 7.684 2.844 1.00 23.22 H new ATOM 0 HG11 VAL A 78 -1.404 5.591 2.004 1.00 14.32 H new ATOM 0 HG12 VAL A 78 0.319 5.718 1.578 1.00 14.32 H new ATOM 0 HG13 VAL A 78 -0.193 4.647 2.904 1.00 14.32 H new ATOM 0 HG21 VAL A 78 -2.271 6.606 4.086 1.00 74.32 H new ATOM 0 HG22 VAL A 78 -1.091 5.758 5.113 1.00 74.32 H new ATOM 0 HG23 VAL A 78 -1.207 7.533 5.171 1.00 74.32 H new ATOM 1344 N PHE A 79 2.917 5.834 2.594 1.00 73.20 N ATOM 1345 CA PHE A 79 3.671 5.638 1.360 1.00 71.33 C ATOM 1346 C PHE A 79 2.833 4.702 0.484 1.00 60.43 C ATOM 1347 O PHE A 79 2.632 3.538 0.846 1.00 61.02 O ATOM 1348 CB PHE A 79 5.042 4.994 1.665 1.00 40.23 C ATOM 1349 CG PHE A 79 6.027 5.878 2.421 1.00 12.33 C ATOM 1350 CD1 PHE A 79 6.019 5.948 3.812 1.00 23.35 C ATOM 1351 CD2 PHE A 79 6.979 6.630 1.733 1.00 4.33 C ATOM 1352 CE1 PHE A 79 6.924 6.744 4.488 1.00 75.30 C ATOM 1353 CE2 PHE A 79 7.879 7.420 2.411 1.00 21.42 C ATOM 1354 CZ PHE A 79 7.853 7.478 3.787 1.00 74.54 C ATOM 0 H PHE A 79 2.933 5.021 3.210 1.00 73.20 H new ATOM 0 HA PHE A 79 3.859 6.588 0.859 1.00 71.33 H new ATOM 0 HB2 PHE A 79 4.877 4.086 2.244 1.00 40.23 H new ATOM 0 HB3 PHE A 79 5.500 4.692 0.723 1.00 40.23 H new ATOM 0 HD1 PHE A 79 5.295 5.372 4.370 1.00 23.35 H new ATOM 0 HD2 PHE A 79 7.010 6.592 0.654 1.00 4.33 H new ATOM 0 HE1 PHE A 79 6.902 6.790 5.567 1.00 75.30 H new ATOM 0 HE2 PHE A 79 8.609 7.997 1.862 1.00 21.42 H new ATOM 0 HZ PHE A 79 8.561 8.099 4.315 1.00 74.54 H new ATOM 1364 N LEU A 80 2.337 5.201 -0.650 1.00 0.11 N ATOM 1365 CA LEU A 80 1.463 4.428 -1.544 1.00 22.20 C ATOM 1366 C LEU A 80 2.264 3.887 -2.729 1.00 32.32 C ATOM 1367 O LEU A 80 2.983 4.631 -3.398 1.00 5.14 O ATOM 1368 CB LEU A 80 0.270 5.287 -2.045 1.00 13.53 C ATOM 1369 CG LEU A 80 -0.717 4.571 -3.040 1.00 61.35 C ATOM 1370 CD1 LEU A 80 -1.376 3.335 -2.409 1.00 3.54 C ATOM 1371 CD2 LEU A 80 -1.784 5.531 -3.571 1.00 52.24 C ATOM 0 H LEU A 80 2.527 6.148 -0.976 1.00 0.11 H new ATOM 0 HA LEU A 80 1.058 3.589 -0.978 1.00 22.20 H new ATOM 0 HB2 LEU A 80 -0.299 5.626 -1.179 1.00 13.53 H new ATOM 0 HB3 LEU A 80 0.667 6.177 -2.534 1.00 13.53 H new ATOM 0 HG LEU A 80 -0.113 4.235 -3.883 1.00 61.35 H new ATOM 0 HD11 LEU A 80 -2.049 2.873 -3.131 1.00 3.54 H new ATOM 0 HD12 LEU A 80 -0.606 2.619 -2.121 1.00 3.54 H new ATOM 0 HD13 LEU A 80 -1.941 3.635 -1.527 1.00 3.54 H new ATOM 0 HD21 LEU A 80 -2.445 4.998 -4.254 1.00 52.24 H new ATOM 0 HD22 LEU A 80 -2.365 5.926 -2.738 1.00 52.24 H new ATOM 0 HD23 LEU A 80 -1.303 6.354 -4.100 1.00 52.24 H new ATOM 1383 N LEU A 81 2.160 2.577 -2.940 1.00 20.51 N ATOM 1384 CA LEU A 81 2.600 1.902 -4.151 1.00 53.01 C ATOM 1385 C LEU A 81 1.369 1.481 -4.939 1.00 70.30 C ATOM 1386 O LEU A 81 0.560 0.678 -4.454 1.00 54.23 O ATOM 1387 CB LEU A 81 3.450 0.645 -3.819 1.00 42.33 C ATOM 1388 CG LEU A 81 4.108 -0.077 -5.046 1.00 34.44 C ATOM 1389 CD1 LEU A 81 4.886 0.928 -5.920 1.00 14.23 C ATOM 1390 CD2 LEU A 81 5.016 -1.245 -4.593 1.00 25.32 C ATOM 0 H LEU A 81 1.756 1.941 -2.252 1.00 20.51 H new ATOM 0 HA LEU A 81 3.220 2.585 -4.731 1.00 53.01 H new ATOM 0 HB2 LEU A 81 4.240 0.936 -3.126 1.00 42.33 H new ATOM 0 HB3 LEU A 81 2.816 -0.072 -3.297 1.00 42.33 H new ATOM 0 HG LEU A 81 3.308 -0.502 -5.652 1.00 34.44 H new ATOM 0 HD11 LEU A 81 5.334 0.405 -6.765 1.00 14.23 H new ATOM 0 HD12 LEU A 81 4.204 1.694 -6.288 1.00 14.23 H new ATOM 0 HD13 LEU A 81 5.671 1.396 -5.326 1.00 14.23 H new ATOM 0 HD21 LEU A 81 5.456 -1.724 -5.468 1.00 25.32 H new ATOM 0 HD22 LEU A 81 5.809 -0.861 -3.951 1.00 25.32 H new ATOM 0 HD23 LEU A 81 4.423 -1.974 -4.040 1.00 25.32 H new ATOM 1402 N LEU A 82 1.196 2.052 -6.127 1.00 11.23 N ATOM 1403 CA LEU A 82 0.238 1.543 -7.102 1.00 44.14 C ATOM 1404 C LEU A 82 1.013 0.717 -8.128 1.00 3.23 C ATOM 1405 O LEU A 82 1.855 1.254 -8.863 1.00 23.32 O ATOM 1406 CB LEU A 82 -0.542 2.701 -7.777 1.00 23.12 C ATOM 1407 CG LEU A 82 -1.504 3.508 -6.860 1.00 71.44 C ATOM 1408 CD1 LEU A 82 -2.214 4.635 -7.638 1.00 62.33 C ATOM 1409 CD2 LEU A 82 -2.522 2.579 -6.171 1.00 5.44 C ATOM 0 H LEU A 82 1.712 2.875 -6.439 1.00 11.23 H new ATOM 0 HA LEU A 82 -0.506 0.918 -6.609 1.00 44.14 H new ATOM 0 HB2 LEU A 82 0.180 3.394 -8.210 1.00 23.12 H new ATOM 0 HB3 LEU A 82 -1.122 2.288 -8.602 1.00 23.12 H new ATOM 0 HG LEU A 82 -0.901 3.978 -6.083 1.00 71.44 H new ATOM 0 HD11 LEU A 82 -2.878 5.178 -6.966 1.00 62.33 H new ATOM 0 HD12 LEU A 82 -1.471 5.320 -8.045 1.00 62.33 H new ATOM 0 HD13 LEU A 82 -2.795 4.204 -8.453 1.00 62.33 H new ATOM 0 HD21 LEU A 82 -3.182 3.170 -5.536 1.00 5.44 H new ATOM 0 HD22 LEU A 82 -3.113 2.062 -6.927 1.00 5.44 H new ATOM 0 HD23 LEU A 82 -1.992 1.847 -5.562 1.00 5.44 H new ATOM 1421 N GLN A 83 0.775 -0.603 -8.121 1.00 11.13 N ATOM 1422 CA GLN A 83 1.242 -1.499 -9.172 1.00 53.44 C ATOM 1423 C GLN A 83 0.065 -1.801 -10.090 1.00 61.03 C ATOM 1424 O GLN A 83 -0.850 -2.563 -9.733 1.00 63.44 O ATOM 1425 CB GLN A 83 1.852 -2.811 -8.619 1.00 52.23 C ATOM 1426 CG GLN A 83 2.361 -3.768 -9.736 1.00 60.33 C ATOM 1427 CD GLN A 83 3.111 -4.985 -9.218 1.00 53.32 C ATOM 1428 OE1 GLN A 83 2.871 -5.450 -8.109 1.00 24.51 O ATOM 1429 NE2 GLN A 83 4.007 -5.536 -10.032 1.00 21.10 N ATOM 0 H GLN A 83 0.252 -1.073 -7.382 1.00 11.13 H new ATOM 0 HA GLN A 83 2.045 -1.004 -9.718 1.00 53.44 H new ATOM 0 HB2 GLN A 83 2.680 -2.567 -7.953 1.00 52.23 H new ATOM 0 HB3 GLN A 83 1.103 -3.328 -8.020 1.00 52.23 H new ATOM 0 HG2 GLN A 83 1.509 -4.104 -10.327 1.00 60.33 H new ATOM 0 HG3 GLN A 83 3.015 -3.210 -10.407 1.00 60.33 H new ATOM 0 HE21 GLN A 83 4.184 -5.125 -10.949 1.00 21.10 H new ATOM 0 HE22 GLN A 83 4.517 -6.369 -9.740 1.00 21.10 H new ATOM 1438 N ASP A 84 0.084 -1.161 -11.247 1.00 24.22 N ATOM 1439 CA ASP A 84 -0.825 -1.431 -12.343 1.00 44.22 C ATOM 1440 C ASP A 84 0.024 -1.621 -13.580 1.00 74.21 C ATOM 1441 O ASP A 84 0.752 -0.707 -13.973 1.00 13.52 O ATOM 1442 CB ASP A 84 -1.862 -0.284 -12.540 1.00 4.15 C ATOM 1443 CG ASP A 84 -3.064 -0.384 -11.586 1.00 1.41 C ATOM 1444 OD1 ASP A 84 -3.827 -1.378 -11.699 1.00 41.14 O ATOM 1445 OD2 ASP A 84 -3.290 0.532 -10.761 1.00 33.43 O ATOM 0 H ASP A 84 0.752 -0.418 -11.453 1.00 24.22 H new ATOM 0 HA ASP A 84 -1.412 -2.325 -12.132 1.00 44.22 H new ATOM 0 HB2 ASP A 84 -1.366 0.675 -12.390 1.00 4.15 H new ATOM 0 HB3 ASP A 84 -2.221 -0.300 -13.569 1.00 4.15 H new ATOM 1450 N GLN A 85 -0.064 -2.819 -14.170 1.00 23.22 N ATOM 1451 CA GLN A 85 0.706 -3.202 -15.365 1.00 55.11 C ATOM 1452 C GLN A 85 0.226 -2.391 -16.586 1.00 3.44 C ATOM 1453 O GLN A 85 0.953 -2.220 -17.564 1.00 5.34 O ATOM 1454 CB GLN A 85 0.534 -4.719 -15.603 1.00 42.34 C ATOM 1455 CG GLN A 85 0.848 -5.601 -14.375 1.00 74.34 C ATOM 1456 CD GLN A 85 0.290 -7.017 -14.499 1.00 40.53 C ATOM 1457 OE1 GLN A 85 0.964 -7.933 -14.956 1.00 15.14 O ATOM 1458 NE2 GLN A 85 -0.964 -7.203 -14.112 1.00 13.00 N ATOM 0 H GLN A 85 -0.678 -3.559 -13.830 1.00 23.22 H new ATOM 0 HA GLN A 85 1.763 -2.983 -15.215 1.00 55.11 H new ATOM 0 HB2 GLN A 85 -0.492 -4.910 -15.919 1.00 42.34 H new ATOM 0 HB3 GLN A 85 1.182 -5.020 -16.426 1.00 42.34 H new ATOM 0 HG2 GLN A 85 1.928 -5.653 -14.238 1.00 74.34 H new ATOM 0 HG3 GLN A 85 0.436 -5.131 -13.482 1.00 74.34 H new ATOM 0 HE21 GLN A 85 -1.502 -6.423 -13.735 1.00 13.00 H new ATOM 0 HE22 GLN A 85 -1.391 -8.126 -14.191 1.00 13.00 H new ATOM 1467 N ASP A 86 -1.021 -1.901 -16.483 1.00 12.12 N ATOM 1468 CA ASP A 86 -1.632 -0.968 -17.424 1.00 15.21 C ATOM 1469 C ASP A 86 -1.512 0.443 -16.816 1.00 34.44 C ATOM 1470 O ASP A 86 -2.099 0.715 -15.765 1.00 51.54 O ATOM 1471 CB ASP A 86 -3.119 -1.357 -17.633 1.00 53.31 C ATOM 1472 CG ASP A 86 -3.861 -0.450 -18.628 1.00 3.05 C ATOM 1473 OD1 ASP A 86 -4.401 0.595 -18.212 1.00 63.51 O ATOM 1474 OD2 ASP A 86 -3.893 -0.774 -19.837 1.00 11.22 O ATOM 0 H ASP A 86 -1.644 -2.156 -15.717 1.00 12.12 H new ATOM 0 HA ASP A 86 -1.136 -0.995 -18.394 1.00 15.21 H new ATOM 0 HB2 ASP A 86 -3.170 -2.387 -17.986 1.00 53.31 H new ATOM 0 HB3 ASP A 86 -3.633 -1.324 -16.672 1.00 53.31 H new ATOM 1479 N GLU A 87 -0.745 1.333 -17.464 1.00 22.14 N ATOM 1480 CA GLU A 87 -0.443 2.673 -16.906 1.00 64.11 C ATOM 1481 C GLU A 87 -1.517 3.723 -17.229 1.00 11.14 C ATOM 1482 O GLU A 87 -1.350 4.901 -16.899 1.00 21.14 O ATOM 1483 CB GLU A 87 0.982 3.137 -17.317 1.00 14.31 C ATOM 1484 CG GLU A 87 2.081 2.210 -16.767 1.00 34.41 C ATOM 1485 CD GLU A 87 3.515 2.687 -17.045 1.00 23.34 C ATOM 1486 OE1 GLU A 87 3.959 3.670 -16.402 1.00 13.30 O ATOM 1487 OE2 GLU A 87 4.213 2.073 -17.886 1.00 72.33 O ATOM 0 H GLU A 87 -0.320 1.155 -18.374 1.00 22.14 H new ATOM 0 HA GLU A 87 -0.461 2.573 -15.821 1.00 64.11 H new ATOM 0 HB2 GLU A 87 1.050 3.172 -18.404 1.00 14.31 H new ATOM 0 HB3 GLU A 87 1.150 4.151 -16.954 1.00 14.31 H new ATOM 0 HG2 GLU A 87 1.948 2.109 -15.690 1.00 34.41 H new ATOM 0 HG3 GLU A 87 1.951 1.218 -17.199 1.00 34.41 H new ATOM 1494 N ASN A 88 -2.639 3.288 -17.839 1.00 14.31 N ATOM 1495 CA ASN A 88 -3.853 4.120 -17.949 1.00 24.35 C ATOM 1496 C ASN A 88 -4.656 3.977 -16.641 1.00 42.04 C ATOM 1497 O ASN A 88 -5.291 4.929 -16.184 1.00 3.04 O ATOM 1498 CB ASN A 88 -4.718 3.743 -19.189 1.00 72.12 C ATOM 1499 CG ASN A 88 -3.979 3.896 -20.526 1.00 60.00 C ATOM 1500 OD1 ASN A 88 -2.781 3.634 -20.626 1.00 30.32 O ATOM 1501 ND2 ASN A 88 -4.682 4.334 -21.566 1.00 25.53 N ATOM 0 H ASN A 88 -2.728 2.365 -18.263 1.00 14.31 H new ATOM 0 HA ASN A 88 -3.560 5.159 -18.096 1.00 24.35 H new ATOM 0 HB2 ASN A 88 -5.055 2.711 -19.086 1.00 72.12 H new ATOM 0 HB3 ASN A 88 -5.610 4.370 -19.203 1.00 72.12 H new ATOM 0 HD21 ASN A 88 -4.229 4.459 -22.471 1.00 25.53 H new ATOM 0 HD22 ASN A 88 -5.674 4.545 -21.459 1.00 25.53 H new ATOM 1508 N GLU A 89 -4.594 2.767 -16.042 1.00 21.30 N ATOM 1509 CA GLU A 89 -5.094 2.506 -14.679 1.00 74.00 C ATOM 1510 C GLU A 89 -4.241 3.266 -13.656 1.00 64.43 C ATOM 1511 O GLU A 89 -4.771 3.991 -12.813 1.00 2.32 O ATOM 1512 CB GLU A 89 -5.066 0.985 -14.359 1.00 64.30 C ATOM 1513 CG GLU A 89 -6.117 0.148 -15.097 1.00 72.41 C ATOM 1514 CD GLU A 89 -7.555 0.525 -14.698 1.00 0.32 C ATOM 1515 OE1 GLU A 89 -7.986 0.161 -13.577 1.00 30.00 O ATOM 1516 OE2 GLU A 89 -8.256 1.208 -15.484 1.00 42.03 O ATOM 0 H GLU A 89 -4.195 1.944 -16.493 1.00 21.30 H new ATOM 0 HA GLU A 89 -6.126 2.852 -14.621 1.00 74.00 H new ATOM 0 HB2 GLU A 89 -4.077 0.596 -14.602 1.00 64.30 H new ATOM 0 HB3 GLU A 89 -5.206 0.852 -13.286 1.00 64.30 H new ATOM 0 HG2 GLU A 89 -5.994 0.282 -16.172 1.00 72.41 H new ATOM 0 HG3 GLU A 89 -5.950 -0.908 -14.886 1.00 72.41 H new ATOM 1523 N LEU A 90 -2.911 3.090 -13.782 1.00 33.13 N ATOM 1524 CA LEU A 90 -1.911 3.675 -12.875 1.00 32.34 C ATOM 1525 C LEU A 90 -2.027 5.212 -12.815 1.00 34.02 C ATOM 1526 O LEU A 90 -2.201 5.747 -11.731 1.00 64.53 O ATOM 1527 CB LEU A 90 -0.495 3.227 -13.323 1.00 22.24 C ATOM 1528 CG LEU A 90 0.739 3.781 -12.536 1.00 73.14 C ATOM 1529 CD1 LEU A 90 0.635 3.514 -11.027 1.00 63.32 C ATOM 1530 CD2 LEU A 90 2.048 3.193 -13.103 1.00 73.54 C ATOM 0 H LEU A 90 -2.498 2.529 -14.528 1.00 33.13 H new ATOM 0 HA LEU A 90 -2.095 3.313 -11.864 1.00 32.34 H new ATOM 0 HB2 LEU A 90 -0.459 2.139 -13.275 1.00 22.24 H new ATOM 0 HB3 LEU A 90 -0.374 3.504 -14.370 1.00 22.24 H new ATOM 0 HG LEU A 90 0.748 4.863 -12.669 1.00 73.14 H new ATOM 0 HD11 LEU A 90 1.514 3.917 -10.525 1.00 63.32 H new ATOM 0 HD12 LEU A 90 -0.260 3.995 -10.633 1.00 63.32 H new ATOM 0 HD13 LEU A 90 0.577 2.440 -10.851 1.00 63.32 H new ATOM 0 HD21 LEU A 90 2.896 3.588 -12.545 1.00 73.54 H new ATOM 0 HD22 LEU A 90 2.028 2.107 -13.012 1.00 73.54 H new ATOM 0 HD23 LEU A 90 2.145 3.468 -14.153 1.00 73.54 H new ATOM 1542 N GLU A 91 -1.977 5.897 -13.988 1.00 75.11 N ATOM 1543 CA GLU A 91 -1.978 7.382 -14.061 1.00 33.12 C ATOM 1544 C GLU A 91 -3.264 7.994 -13.490 1.00 12.15 C ATOM 1545 O GLU A 91 -3.194 8.861 -12.620 1.00 62.43 O ATOM 1546 CB GLU A 91 -1.773 7.864 -15.525 1.00 71.10 C ATOM 1547 CG GLU A 91 -1.736 9.404 -15.685 1.00 41.23 C ATOM 1548 CD GLU A 91 -1.520 9.866 -17.135 1.00 54.33 C ATOM 1549 OE1 GLU A 91 -2.509 10.026 -17.879 1.00 72.12 O ATOM 1550 OE2 GLU A 91 -0.357 10.071 -17.540 1.00 53.13 O ATOM 0 H GLU A 91 -1.935 5.441 -14.900 1.00 75.11 H new ATOM 0 HA GLU A 91 -1.145 7.724 -13.447 1.00 33.12 H new ATOM 0 HB2 GLU A 91 -0.841 7.448 -15.906 1.00 71.10 H new ATOM 0 HB3 GLU A 91 -2.577 7.465 -16.143 1.00 71.10 H new ATOM 0 HG2 GLU A 91 -2.672 9.822 -15.315 1.00 41.23 H new ATOM 0 HG3 GLU A 91 -0.938 9.807 -15.061 1.00 41.23 H new ATOM 1557 N GLU A 92 -4.422 7.541 -14.009 1.00 74.11 N ATOM 1558 CA GLU A 92 -5.743 8.056 -13.604 1.00 24.34 C ATOM 1559 C GLU A 92 -5.988 7.911 -12.098 1.00 73.31 C ATOM 1560 O GLU A 92 -6.513 8.823 -11.469 1.00 51.25 O ATOM 1561 CB GLU A 92 -6.862 7.353 -14.409 1.00 10.11 C ATOM 1562 CG GLU A 92 -6.912 7.738 -15.901 1.00 12.45 C ATOM 1563 CD GLU A 92 -7.323 9.208 -16.133 1.00 45.34 C ATOM 1564 OE1 GLU A 92 -6.445 10.105 -16.138 1.00 64.25 O ATOM 1565 OE2 GLU A 92 -8.536 9.476 -16.299 1.00 32.40 O ATOM 0 H GLU A 92 -4.467 6.810 -14.719 1.00 74.11 H new ATOM 0 HA GLU A 92 -5.758 9.123 -13.827 1.00 24.34 H new ATOM 0 HB2 GLU A 92 -6.727 6.274 -14.329 1.00 10.11 H new ATOM 0 HB3 GLU A 92 -7.824 7.589 -13.953 1.00 10.11 H new ATOM 0 HG2 GLU A 92 -5.933 7.566 -16.348 1.00 12.45 H new ATOM 0 HG3 GLU A 92 -7.616 7.084 -16.415 1.00 12.45 H new ATOM 1572 N PHE A 93 -5.576 6.769 -11.532 1.00 4.24 N ATOM 1573 CA PHE A 93 -5.766 6.475 -10.103 1.00 10.34 C ATOM 1574 C PHE A 93 -4.752 7.286 -9.253 1.00 53.32 C ATOM 1575 O PHE A 93 -5.100 7.797 -8.188 1.00 51.31 O ATOM 1576 CB PHE A 93 -5.625 4.939 -9.869 1.00 54.13 C ATOM 1577 CG PHE A 93 -6.328 4.404 -8.626 1.00 73.21 C ATOM 1578 CD1 PHE A 93 -7.648 4.763 -8.348 1.00 64.03 C ATOM 1579 CD2 PHE A 93 -5.694 3.516 -7.758 1.00 60.43 C ATOM 1580 CE1 PHE A 93 -8.304 4.257 -7.244 1.00 73.41 C ATOM 1581 CE2 PHE A 93 -6.354 3.017 -6.654 1.00 74.24 C ATOM 1582 CZ PHE A 93 -7.657 3.389 -6.398 1.00 52.43 C ATOM 0 H PHE A 93 -5.104 6.026 -12.047 1.00 4.24 H new ATOM 0 HA PHE A 93 -6.766 6.775 -9.790 1.00 10.34 H new ATOM 0 HB2 PHE A 93 -6.018 4.417 -10.742 1.00 54.13 H new ATOM 0 HB3 PHE A 93 -4.565 4.694 -9.801 1.00 54.13 H new ATOM 0 HD1 PHE A 93 -8.163 5.447 -9.006 1.00 64.03 H new ATOM 0 HD2 PHE A 93 -4.675 3.215 -7.952 1.00 60.43 H new ATOM 0 HE1 PHE A 93 -9.326 4.543 -7.045 1.00 73.41 H new ATOM 0 HE2 PHE A 93 -5.849 2.333 -5.988 1.00 74.24 H new ATOM 0 HZ PHE A 93 -8.169 2.998 -5.532 1.00 52.43 H new ATOM 1592 N LYS A 94 -3.519 7.435 -9.787 1.00 53.32 N ATOM 1593 CA LYS A 94 -2.398 8.143 -9.131 1.00 55.41 C ATOM 1594 C LYS A 94 -2.709 9.631 -8.922 1.00 25.42 C ATOM 1595 O LYS A 94 -2.622 10.118 -7.795 1.00 65.22 O ATOM 1596 CB LYS A 94 -1.104 7.968 -9.979 1.00 32.51 C ATOM 1597 CG LYS A 94 0.112 8.822 -9.553 1.00 63.35 C ATOM 1598 CD LYS A 94 1.352 8.561 -10.443 1.00 51.32 C ATOM 1599 CE LYS A 94 2.501 9.542 -10.173 1.00 43.12 C ATOM 1600 NZ LYS A 94 3.031 9.441 -8.786 1.00 74.42 N ATOM 0 H LYS A 94 -3.271 7.060 -10.702 1.00 53.32 H new ATOM 0 HA LYS A 94 -2.248 7.704 -8.144 1.00 55.41 H new ATOM 0 HB2 LYS A 94 -0.813 6.918 -9.947 1.00 32.51 H new ATOM 0 HB3 LYS A 94 -1.340 8.202 -11.017 1.00 32.51 H new ATOM 0 HG2 LYS A 94 -0.153 9.878 -9.603 1.00 63.35 H new ATOM 0 HG3 LYS A 94 0.360 8.604 -8.514 1.00 63.35 H new ATOM 0 HD2 LYS A 94 1.704 7.543 -10.277 1.00 51.32 H new ATOM 0 HD3 LYS A 94 1.061 8.630 -11.491 1.00 51.32 H new ATOM 0 HE2 LYS A 94 3.308 9.352 -10.880 1.00 43.12 H new ATOM 0 HE3 LYS A 94 2.153 10.560 -10.351 1.00 43.12 H new ATOM 0 HZ1 LYS A 94 4.054 9.626 -8.791 1.00 74.42 H new ATOM 0 HZ2 LYS A 94 2.555 10.140 -8.181 1.00 74.42 H new ATOM 0 HZ3 LYS A 94 2.854 8.485 -8.416 1.00 74.42 H new ATOM 1614 N ARG A 95 -3.094 10.332 -10.016 1.00 65.15 N ATOM 1615 CA ARG A 95 -3.332 11.794 -10.003 1.00 65.00 C ATOM 1616 C ARG A 95 -4.419 12.201 -8.985 1.00 42.23 C ATOM 1617 O ARG A 95 -4.334 13.272 -8.390 1.00 23.03 O ATOM 1618 CB ARG A 95 -3.672 12.324 -11.433 1.00 54.34 C ATOM 1619 CG ARG A 95 -4.872 11.637 -12.121 1.00 53.11 C ATOM 1620 CD ARG A 95 -5.223 12.246 -13.494 1.00 43.45 C ATOM 1621 NE ARG A 95 -4.104 12.215 -14.463 1.00 44.42 N ATOM 1622 CZ ARG A 95 -4.135 12.750 -15.708 1.00 52.05 C ATOM 1623 NH1 ARG A 95 -5.227 13.351 -16.184 1.00 0.41 N ATOM 1624 NH2 ARG A 95 -3.059 12.690 -16.473 1.00 52.41 N ATOM 0 H ARG A 95 -3.247 9.901 -10.928 1.00 65.15 H new ATOM 0 HA ARG A 95 -2.403 12.263 -9.680 1.00 65.00 H new ATOM 0 HB2 ARG A 95 -3.874 13.393 -11.368 1.00 54.34 H new ATOM 0 HB3 ARG A 95 -2.793 12.204 -12.066 1.00 54.34 H new ATOM 0 HG2 ARG A 95 -4.650 10.577 -12.248 1.00 53.11 H new ATOM 0 HG3 ARG A 95 -5.743 11.705 -11.469 1.00 53.11 H new ATOM 0 HD2 ARG A 95 -6.071 11.706 -13.915 1.00 43.45 H new ATOM 0 HD3 ARG A 95 -5.541 13.279 -13.353 1.00 43.45 H new ATOM 0 HE ARG A 95 -3.242 11.755 -14.171 1.00 44.42 H new ATOM 0 HH11 ARG A 95 -6.066 13.416 -15.607 1.00 0.41 H new ATOM 0 HH12 ARG A 95 -5.223 13.745 -17.125 1.00 0.41 H new ATOM 0 HH21 ARG A 95 -2.211 12.243 -16.126 1.00 52.41 H new ATOM 0 HH22 ARG A 95 -3.077 13.091 -17.411 1.00 52.41 H new ATOM 1638 N LYS A 96 -5.416 11.320 -8.778 1.00 53.54 N ATOM 1639 CA LYS A 96 -6.497 11.540 -7.794 1.00 53.15 C ATOM 1640 C LYS A 96 -5.939 11.557 -6.355 1.00 70.40 C ATOM 1641 O LYS A 96 -6.148 12.506 -5.595 1.00 13.33 O ATOM 1642 CB LYS A 96 -7.561 10.418 -7.934 1.00 42.10 C ATOM 1643 CG LYS A 96 -8.238 10.349 -9.317 1.00 32.35 C ATOM 1644 CD LYS A 96 -9.235 9.166 -9.437 1.00 44.54 C ATOM 1645 CE LYS A 96 -9.817 9.026 -10.854 1.00 23.53 C ATOM 1646 NZ LYS A 96 -10.807 7.922 -10.958 1.00 43.13 N ATOM 0 H LYS A 96 -5.496 10.439 -9.285 1.00 53.54 H new ATOM 0 HA LYS A 96 -6.956 12.509 -7.993 1.00 53.15 H new ATOM 0 HB2 LYS A 96 -7.088 9.458 -7.727 1.00 42.10 H new ATOM 0 HB3 LYS A 96 -8.329 10.566 -7.175 1.00 42.10 H new ATOM 0 HG2 LYS A 96 -8.765 11.284 -9.506 1.00 32.35 H new ATOM 0 HG3 LYS A 96 -7.473 10.254 -10.087 1.00 32.35 H new ATOM 0 HD2 LYS A 96 -8.730 8.240 -9.162 1.00 44.54 H new ATOM 0 HD3 LYS A 96 -10.049 9.308 -8.726 1.00 44.54 H new ATOM 0 HE2 LYS A 96 -10.292 9.964 -11.142 1.00 23.53 H new ATOM 0 HE3 LYS A 96 -9.006 8.850 -11.560 1.00 23.53 H new ATOM 0 HZ1 LYS A 96 -11.168 7.870 -11.932 1.00 43.13 H new ATOM 0 HZ2 LYS A 96 -10.350 7.021 -10.710 1.00 43.13 H new ATOM 0 HZ3 LYS A 96 -11.596 8.101 -10.305 1.00 43.13 H new ATOM 1660 N ILE A 97 -5.178 10.507 -6.033 1.00 42.44 N ATOM 1661 CA ILE A 97 -4.709 10.215 -4.669 1.00 22.31 C ATOM 1662 C ILE A 97 -3.517 11.112 -4.266 1.00 13.24 C ATOM 1663 O ILE A 97 -3.342 11.462 -3.087 1.00 12.31 O ATOM 1664 CB ILE A 97 -4.320 8.703 -4.567 1.00 44.51 C ATOM 1665 CG1 ILE A 97 -5.517 7.801 -5.002 1.00 24.41 C ATOM 1666 CG2 ILE A 97 -3.855 8.344 -3.145 1.00 32.21 C ATOM 1667 CD1 ILE A 97 -5.173 6.333 -5.179 1.00 65.51 C ATOM 0 H ILE A 97 -4.864 9.823 -6.721 1.00 42.44 H new ATOM 0 HA ILE A 97 -5.520 10.432 -3.974 1.00 22.31 H new ATOM 0 HB ILE A 97 -3.486 8.522 -5.245 1.00 44.51 H new ATOM 0 HG12 ILE A 97 -6.309 7.888 -4.258 1.00 24.41 H new ATOM 0 HG13 ILE A 97 -5.919 8.182 -5.941 1.00 24.41 H new ATOM 0 HG21 ILE A 97 -3.591 7.287 -3.104 1.00 32.21 H new ATOM 0 HG22 ILE A 97 -2.984 8.946 -2.884 1.00 32.21 H new ATOM 0 HG23 ILE A 97 -4.660 8.545 -2.438 1.00 32.21 H new ATOM 0 HD11 ILE A 97 -6.065 5.784 -5.482 1.00 65.51 H new ATOM 0 HD12 ILE A 97 -4.405 6.229 -5.946 1.00 65.51 H new ATOM 0 HD13 ILE A 97 -4.801 5.930 -4.237 1.00 65.51 H new ATOM 1679 N GLU A 98 -2.724 11.504 -5.262 1.00 64.42 N ATOM 1680 CA GLU A 98 -1.548 12.359 -5.072 1.00 1.42 C ATOM 1681 C GLU A 98 -1.985 13.826 -4.857 1.00 21.31 C ATOM 1682 O GLU A 98 -1.258 14.618 -4.244 1.00 23.42 O ATOM 1683 CB GLU A 98 -0.583 12.173 -6.273 1.00 2.34 C ATOM 1684 CG GLU A 98 0.807 12.814 -6.094 1.00 3.34 C ATOM 1685 CD GLU A 98 1.872 12.209 -7.021 1.00 50.42 C ATOM 1686 OE1 GLU A 98 2.508 11.201 -6.624 1.00 15.14 O ATOM 1687 OE2 GLU A 98 2.067 12.713 -8.153 1.00 62.33 O ATOM 0 H GLU A 98 -2.879 11.236 -6.234 1.00 64.42 H new ATOM 0 HA GLU A 98 -1.004 12.070 -4.173 1.00 1.42 H new ATOM 0 HB2 GLU A 98 -0.454 11.106 -6.455 1.00 2.34 H new ATOM 0 HB3 GLU A 98 -1.049 12.594 -7.164 1.00 2.34 H new ATOM 0 HG2 GLU A 98 0.734 13.885 -6.284 1.00 3.34 H new ATOM 0 HG3 GLU A 98 1.125 12.695 -5.058 1.00 3.34 H new ATOM 1694 N SER A 99 -3.216 14.156 -5.320 1.00 23.41 N ATOM 1695 CA SER A 99 -3.874 15.444 -5.025 1.00 5.13 C ATOM 1696 C SER A 99 -4.439 15.458 -3.581 1.00 41.42 C ATOM 1697 O SER A 99 -4.683 16.529 -3.011 1.00 21.33 O ATOM 1698 CB SER A 99 -4.997 15.712 -6.051 1.00 34.12 C ATOM 1699 OG SER A 99 -4.474 15.822 -7.366 1.00 11.13 O ATOM 0 H SER A 99 -3.775 13.536 -5.906 1.00 23.41 H new ATOM 0 HA SER A 99 -3.131 16.238 -5.102 1.00 5.13 H new ATOM 0 HB2 SER A 99 -5.728 14.904 -6.014 1.00 34.12 H new ATOM 0 HB3 SER A 99 -5.523 16.630 -5.788 1.00 34.12 H new ATOM 0 HG SER A 99 -4.540 14.955 -7.818 1.00 11.13 H new ATOM 1705 N GLN A 100 -4.640 14.251 -3.004 1.00 72.04 N ATOM 1706 CA GLN A 100 -5.080 14.075 -1.598 1.00 40.34 C ATOM 1707 C GLN A 100 -3.867 14.067 -0.632 1.00 11.45 C ATOM 1708 O GLN A 100 -4.014 13.759 0.557 1.00 62.14 O ATOM 1709 CB GLN A 100 -5.895 12.756 -1.465 1.00 63.50 C ATOM 1710 CG GLN A 100 -7.138 12.680 -2.367 1.00 33.52 C ATOM 1711 CD GLN A 100 -7.855 11.321 -2.322 1.00 73.42 C ATOM 1712 OE1 GLN A 100 -7.545 10.419 -3.096 1.00 72.11 O ATOM 1713 NE2 GLN A 100 -8.824 11.169 -1.434 1.00 22.33 N ATOM 0 H GLN A 100 -4.502 13.370 -3.499 1.00 72.04 H new ATOM 0 HA GLN A 100 -5.716 14.916 -1.324 1.00 40.34 H new ATOM 0 HB2 GLN A 100 -5.241 11.915 -1.697 1.00 63.50 H new ATOM 0 HB3 GLN A 100 -6.207 12.640 -0.427 1.00 63.50 H new ATOM 0 HG2 GLN A 100 -7.839 13.460 -2.070 1.00 33.52 H new ATOM 0 HG3 GLN A 100 -6.843 12.891 -3.395 1.00 33.52 H new ATOM 0 HE21 GLN A 100 -9.062 11.934 -0.803 1.00 22.33 H new ATOM 0 HE22 GLN A 100 -9.333 10.287 -1.381 1.00 22.33 H new ATOM 1722 N GLY A 101 -2.667 14.392 -1.155 1.00 42.31 N ATOM 1723 CA GLY A 101 -1.462 14.546 -0.331 1.00 51.11 C ATOM 1724 C GLY A 101 -0.790 13.230 0.038 1.00 51.22 C ATOM 1725 O GLY A 101 0.000 13.180 0.988 1.00 74.31 O ATOM 0 H GLY A 101 -2.512 14.553 -2.150 1.00 42.31 H new ATOM 0 HA2 GLY A 101 -0.746 15.170 -0.866 1.00 51.11 H new ATOM 0 HA3 GLY A 101 -1.726 15.076 0.584 1.00 51.11 H new ATOM 1729 N TYR A 102 -1.117 12.164 -0.703 1.00 34.11 N ATOM 1730 CA TYR A 102 -0.485 10.843 -0.535 1.00 52.30 C ATOM 1731 C TYR A 102 0.679 10.696 -1.523 1.00 2.03 C ATOM 1732 O TYR A 102 0.538 11.003 -2.715 1.00 55.10 O ATOM 1733 CB TYR A 102 -1.519 9.708 -0.733 1.00 24.14 C ATOM 1734 CG TYR A 102 -2.623 9.661 0.340 1.00 44.30 C ATOM 1735 CD1 TYR A 102 -2.368 9.138 1.606 1.00 75.44 C ATOM 1736 CD2 TYR A 102 -3.913 10.140 0.088 1.00 72.14 C ATOM 1737 CE1 TYR A 102 -3.349 9.099 2.581 1.00 62.25 C ATOM 1738 CE2 TYR A 102 -4.899 10.099 1.061 1.00 11.43 C ATOM 1739 CZ TYR A 102 -4.610 9.579 2.305 1.00 4.22 C ATOM 1740 OH TYR A 102 -5.581 9.550 3.281 1.00 62.13 O ATOM 0 H TYR A 102 -1.826 12.189 -1.436 1.00 34.11 H new ATOM 0 HA TYR A 102 -0.098 10.766 0.481 1.00 52.30 H new ATOM 0 HB2 TYR A 102 -1.985 9.824 -1.712 1.00 24.14 H new ATOM 0 HB3 TYR A 102 -0.995 8.752 -0.740 1.00 24.14 H new ATOM 0 HD1 TYR A 102 -1.384 8.755 1.831 1.00 75.44 H new ATOM 0 HD2 TYR A 102 -4.145 10.550 -0.884 1.00 72.14 H new ATOM 0 HE1 TYR A 102 -3.126 8.693 3.557 1.00 62.25 H new ATOM 0 HE2 TYR A 102 -5.889 10.473 0.846 1.00 11.43 H new ATOM 0 HH TYR A 102 -6.244 8.862 3.062 1.00 62.13 H new ATOM 1750 N GLU A 103 1.836 10.249 -1.007 1.00 22.41 N ATOM 1751 CA GLU A 103 3.037 9.990 -1.810 1.00 34.40 C ATOM 1752 C GLU A 103 2.828 8.719 -2.653 1.00 2.43 C ATOM 1753 O GLU A 103 2.935 7.608 -2.129 1.00 44.04 O ATOM 1754 CB GLU A 103 4.269 9.830 -0.874 1.00 24.13 C ATOM 1755 CG GLU A 103 5.613 9.581 -1.596 1.00 11.43 C ATOM 1756 CD GLU A 103 6.807 9.365 -0.653 1.00 70.13 C ATOM 1757 OE1 GLU A 103 6.883 10.043 0.396 1.00 2.00 O ATOM 1758 OE2 GLU A 103 7.683 8.530 -0.962 1.00 21.53 O ATOM 0 H GLU A 103 1.962 10.057 -0.013 1.00 22.41 H new ATOM 0 HA GLU A 103 3.218 10.830 -2.481 1.00 34.40 H new ATOM 0 HB2 GLU A 103 4.363 10.729 -0.265 1.00 24.13 H new ATOM 0 HB3 GLU A 103 4.082 9.001 -0.191 1.00 24.13 H new ATOM 0 HG2 GLU A 103 5.510 8.707 -2.239 1.00 11.43 H new ATOM 0 HG3 GLU A 103 5.826 10.431 -2.245 1.00 11.43 H new ATOM 1765 N VAL A 104 2.490 8.886 -3.944 1.00 23.04 N ATOM 1766 CA VAL A 104 2.218 7.750 -4.845 1.00 74.12 C ATOM 1767 C VAL A 104 3.459 7.452 -5.700 1.00 45.40 C ATOM 1768 O VAL A 104 3.979 8.343 -6.375 1.00 21.14 O ATOM 1769 CB VAL A 104 0.995 8.020 -5.793 1.00 31.42 C ATOM 1770 CG1 VAL A 104 0.607 6.729 -6.554 1.00 5.44 C ATOM 1771 CG2 VAL A 104 -0.212 8.602 -5.019 1.00 53.14 C ATOM 0 H VAL A 104 2.398 9.799 -4.389 1.00 23.04 H new ATOM 0 HA VAL A 104 1.973 6.894 -4.216 1.00 74.12 H new ATOM 0 HB VAL A 104 1.296 8.771 -6.523 1.00 31.42 H new ATOM 0 HG11 VAL A 104 -0.242 6.933 -7.207 1.00 5.44 H new ATOM 0 HG12 VAL A 104 1.453 6.392 -7.153 1.00 5.44 H new ATOM 0 HG13 VAL A 104 0.337 5.952 -5.839 1.00 5.44 H new ATOM 0 HG21 VAL A 104 -1.038 8.775 -5.709 1.00 53.14 H new ATOM 0 HG22 VAL A 104 -0.525 7.897 -4.249 1.00 53.14 H new ATOM 0 HG23 VAL A 104 0.075 9.545 -4.553 1.00 53.14 H new ATOM 1781 N ARG A 105 3.925 6.198 -5.663 1.00 52.24 N ATOM 1782 CA ARG A 105 5.019 5.719 -6.515 1.00 73.12 C ATOM 1783 C ARG A 105 4.439 4.792 -7.602 1.00 75.13 C ATOM 1784 O ARG A 105 3.432 4.103 -7.377 1.00 23.11 O ATOM 1785 CB ARG A 105 6.082 4.968 -5.672 1.00 61.50 C ATOM 1786 CG ARG A 105 7.469 4.787 -6.356 1.00 62.33 C ATOM 1787 CD ARG A 105 8.425 5.982 -6.150 1.00 20.24 C ATOM 1788 NE ARG A 105 7.856 7.272 -6.597 1.00 63.10 N ATOM 1789 CZ ARG A 105 7.827 8.403 -5.865 1.00 73.12 C ATOM 1790 NH1 ARG A 105 8.339 8.436 -4.635 1.00 51.41 N ATOM 1791 NH2 ARG A 105 7.278 9.493 -6.370 1.00 21.43 N ATOM 0 H ARG A 105 3.552 5.484 -5.038 1.00 52.24 H new ATOM 0 HA ARG A 105 5.509 6.571 -6.986 1.00 73.12 H new ATOM 0 HB2 ARG A 105 6.225 5.506 -4.735 1.00 61.50 H new ATOM 0 HB3 ARG A 105 5.690 3.983 -5.417 1.00 61.50 H new ATOM 0 HG2 ARG A 105 7.941 3.885 -5.967 1.00 62.33 H new ATOM 0 HG3 ARG A 105 7.320 4.633 -7.425 1.00 62.33 H new ATOM 0 HD2 ARG A 105 8.683 6.054 -5.093 1.00 20.24 H new ATOM 0 HD3 ARG A 105 9.352 5.794 -6.692 1.00 20.24 H new ATOM 0 HE ARG A 105 7.454 7.308 -7.534 1.00 63.10 H new ATOM 0 HH11 ARG A 105 8.760 7.597 -4.235 1.00 51.41 H new ATOM 0 HH12 ARG A 105 8.310 9.300 -4.093 1.00 51.41 H new ATOM 0 HH21 ARG A 105 6.879 9.475 -7.309 1.00 21.43 H new ATOM 0 HH22 ARG A 105 7.253 10.352 -5.821 1.00 21.43 H new ATOM 1805 N LYS A 106 5.081 4.792 -8.777 1.00 65.41 N ATOM 1806 CA LYS A 106 4.668 3.981 -9.937 1.00 3.54 C ATOM 1807 C LYS A 106 5.468 2.668 -9.997 1.00 5.11 C ATOM 1808 O LYS A 106 6.635 2.632 -9.582 1.00 55.40 O ATOM 1809 CB LYS A 106 4.941 4.785 -11.235 1.00 54.15 C ATOM 1810 CG LYS A 106 4.176 6.122 -11.365 1.00 30.54 C ATOM 1811 CD LYS A 106 4.590 6.958 -12.608 1.00 54.23 C ATOM 1812 CE LYS A 106 4.336 6.259 -13.963 1.00 45.03 C ATOM 1813 NZ LYS A 106 5.331 5.211 -14.317 1.00 24.13 N ATOM 0 H LYS A 106 5.910 5.359 -8.954 1.00 65.41 H new ATOM 0 HA LYS A 106 3.608 3.747 -9.840 1.00 3.54 H new ATOM 0 HB2 LYS A 106 6.010 4.991 -11.296 1.00 54.15 H new ATOM 0 HB3 LYS A 106 4.688 4.158 -12.090 1.00 54.15 H new ATOM 0 HG2 LYS A 106 3.107 5.916 -11.416 1.00 30.54 H new ATOM 0 HG3 LYS A 106 4.343 6.716 -10.466 1.00 30.54 H new ATOM 0 HD2 LYS A 106 4.046 7.902 -12.593 1.00 54.23 H new ATOM 0 HD3 LYS A 106 5.650 7.200 -12.531 1.00 54.23 H new ATOM 0 HE2 LYS A 106 3.344 5.807 -13.943 1.00 45.03 H new ATOM 0 HE3 LYS A 106 4.327 7.013 -14.750 1.00 45.03 H new ATOM 0 HZ1 LYS A 106 5.788 5.457 -15.218 1.00 24.13 H new ATOM 0 HZ2 LYS A 106 6.051 5.149 -13.569 1.00 24.13 H new ATOM 0 HZ3 LYS A 106 4.850 4.294 -14.412 1.00 24.13 H new ATOM 1827 N VAL A 107 4.814 1.594 -10.503 1.00 61.34 N ATOM 1828 CA VAL A 107 5.496 0.364 -10.955 1.00 25.12 C ATOM 1829 C VAL A 107 4.525 -0.529 -11.776 1.00 63.10 C ATOM 1830 O VAL A 107 3.303 -0.497 -11.575 1.00 44.13 O ATOM 1831 CB VAL A 107 6.150 -0.454 -9.767 1.00 24.14 C ATOM 1832 CG1 VAL A 107 5.102 -1.133 -8.860 1.00 61.12 C ATOM 1833 CG2 VAL A 107 7.194 -1.469 -10.289 1.00 52.11 C ATOM 0 H VAL A 107 3.800 1.560 -10.608 1.00 61.34 H new ATOM 0 HA VAL A 107 6.317 0.679 -11.598 1.00 25.12 H new ATOM 0 HB VAL A 107 6.672 0.271 -9.142 1.00 24.14 H new ATOM 0 HG11 VAL A 107 5.609 -1.679 -8.064 1.00 61.12 H new ATOM 0 HG12 VAL A 107 4.452 -0.374 -8.423 1.00 61.12 H new ATOM 0 HG13 VAL A 107 4.504 -1.826 -9.451 1.00 61.12 H new ATOM 0 HG21 VAL A 107 7.624 -2.014 -9.448 1.00 52.11 H new ATOM 0 HG22 VAL A 107 6.711 -2.172 -10.968 1.00 52.11 H new ATOM 0 HG23 VAL A 107 7.984 -0.938 -10.819 1.00 52.11 H new ATOM 1843 N THR A 108 5.091 -1.283 -12.732 1.00 4.32 N ATOM 1844 CA THR A 108 4.384 -2.312 -13.517 1.00 70.03 C ATOM 1845 C THR A 108 5.054 -3.680 -13.292 1.00 43.22 C ATOM 1846 O THR A 108 4.376 -4.702 -13.137 1.00 64.44 O ATOM 1847 CB THR A 108 4.413 -1.982 -15.052 1.00 33.21 C ATOM 1848 OG1 THR A 108 5.770 -1.831 -15.496 1.00 74.50 O ATOM 1849 CG2 THR A 108 3.643 -0.705 -15.395 1.00 64.12 C ATOM 0 H THR A 108 6.074 -1.193 -12.988 1.00 4.32 H new ATOM 0 HA THR A 108 3.346 -2.334 -13.184 1.00 70.03 H new ATOM 0 HB THR A 108 3.929 -2.816 -15.560 1.00 33.21 H new ATOM 0 HG1 THR A 108 5.780 -1.627 -16.454 1.00 74.50 H new ATOM 0 HG21 THR A 108 3.696 -0.525 -16.469 1.00 64.12 H new ATOM 0 HG22 THR A 108 2.601 -0.818 -15.097 1.00 64.12 H new ATOM 0 HG23 THR A 108 4.083 0.139 -14.864 1.00 64.12 H new ATOM 1857 N ASP A 109 6.406 -3.669 -13.230 1.00 30.12 N ATOM 1858 CA ASP A 109 7.235 -4.893 -13.193 1.00 61.53 C ATOM 1859 C ASP A 109 7.220 -5.516 -11.795 1.00 42.51 C ATOM 1860 O ASP A 109 7.134 -4.809 -10.791 1.00 3.03 O ATOM 1861 CB ASP A 109 8.696 -4.582 -13.614 1.00 24.40 C ATOM 1862 CG ASP A 109 8.836 -4.208 -15.100 1.00 4.21 C ATOM 1863 OD1 ASP A 109 8.431 -3.087 -15.484 1.00 51.22 O ATOM 1864 OD2 ASP A 109 9.376 -5.016 -15.890 1.00 14.32 O ATOM 0 H ASP A 109 6.952 -2.808 -13.204 1.00 30.12 H new ATOM 0 HA ASP A 109 6.810 -5.605 -13.900 1.00 61.53 H new ATOM 0 HB2 ASP A 109 9.076 -3.763 -13.003 1.00 24.40 H new ATOM 0 HB3 ASP A 109 9.320 -5.451 -13.405 1.00 24.40 H new ATOM 1869 N ASP A 110 7.330 -6.843 -11.760 1.00 2.12 N ATOM 1870 CA ASP A 110 7.241 -7.641 -10.528 1.00 34.02 C ATOM 1871 C ASP A 110 8.559 -7.548 -9.744 1.00 60.42 C ATOM 1872 O ASP A 110 8.565 -7.317 -8.527 1.00 73.22 O ATOM 1873 CB ASP A 110 6.926 -9.117 -10.887 1.00 63.44 C ATOM 1874 CG ASP A 110 5.805 -9.247 -11.932 1.00 44.43 C ATOM 1875 OD1 ASP A 110 4.645 -8.938 -11.613 1.00 50.14 O ATOM 1876 OD2 ASP A 110 6.089 -9.619 -13.091 1.00 11.33 O ATOM 0 H ASP A 110 7.486 -7.406 -12.596 1.00 2.12 H new ATOM 0 HA ASP A 110 6.439 -7.251 -9.901 1.00 34.02 H new ATOM 0 HB2 ASP A 110 7.829 -9.595 -11.267 1.00 63.44 H new ATOM 0 HB3 ASP A 110 6.638 -9.653 -9.983 1.00 63.44 H new ATOM 1881 N GLU A 111 9.675 -7.717 -10.471 1.00 32.40 N ATOM 1882 CA GLU A 111 11.026 -7.662 -9.901 1.00 35.31 C ATOM 1883 C GLU A 111 11.313 -6.250 -9.367 1.00 63.43 C ATOM 1884 O GLU A 111 11.881 -6.089 -8.285 1.00 72.11 O ATOM 1885 CB GLU A 111 12.082 -8.061 -10.959 1.00 1.15 C ATOM 1886 CG GLU A 111 11.928 -9.485 -11.521 1.00 22.13 C ATOM 1887 CD GLU A 111 13.048 -9.839 -12.513 1.00 53.34 C ATOM 1888 OE1 GLU A 111 14.135 -10.270 -12.061 1.00 0.00 O ATOM 1889 OE2 GLU A 111 12.860 -9.663 -13.736 1.00 25.45 O ATOM 0 H GLU A 111 9.663 -7.896 -11.475 1.00 32.40 H new ATOM 0 HA GLU A 111 11.085 -8.372 -9.076 1.00 35.31 H new ATOM 0 HB2 GLU A 111 12.033 -7.352 -11.786 1.00 1.15 H new ATOM 0 HB3 GLU A 111 13.073 -7.966 -10.516 1.00 1.15 H new ATOM 0 HG2 GLU A 111 11.932 -10.201 -10.699 1.00 22.13 H new ATOM 0 HG3 GLU A 111 10.962 -9.576 -12.018 1.00 22.13 H new ATOM 1896 N GLU A 112 10.887 -5.227 -10.144 1.00 30.44 N ATOM 1897 CA GLU A 112 11.044 -3.824 -9.738 1.00 45.20 C ATOM 1898 C GLU A 112 10.139 -3.490 -8.540 1.00 55.23 C ATOM 1899 O GLU A 112 10.560 -2.759 -7.650 1.00 22.13 O ATOM 1900 CB GLU A 112 10.813 -2.834 -10.909 1.00 2.32 C ATOM 1901 CG GLU A 112 10.990 -1.347 -10.504 1.00 42.34 C ATOM 1902 CD GLU A 112 11.259 -0.400 -11.672 1.00 43.21 C ATOM 1903 OE1 GLU A 112 10.327 -0.125 -12.452 1.00 4.52 O ATOM 1904 OE2 GLU A 112 12.406 0.088 -11.804 1.00 31.12 O ATOM 0 H GLU A 112 10.435 -5.353 -11.050 1.00 30.44 H new ATOM 0 HA GLU A 112 12.082 -3.702 -9.427 1.00 45.20 H new ATOM 0 HB2 GLU A 112 11.508 -3.068 -11.715 1.00 2.32 H new ATOM 0 HB3 GLU A 112 9.807 -2.978 -11.303 1.00 2.32 H new ATOM 0 HG2 GLU A 112 10.091 -1.016 -9.984 1.00 42.34 H new ATOM 0 HG3 GLU A 112 11.814 -1.272 -9.795 1.00 42.34 H new ATOM 1911 N ALA A 113 8.915 -4.072 -8.499 1.00 64.02 N ATOM 1912 CA ALA A 113 7.943 -3.824 -7.408 1.00 10.11 C ATOM 1913 C ALA A 113 8.559 -4.096 -6.022 1.00 14.35 C ATOM 1914 O ALA A 113 8.428 -3.262 -5.132 1.00 22.44 O ATOM 1915 CB ALA A 113 6.667 -4.656 -7.617 1.00 23.13 C ATOM 0 H ALA A 113 8.578 -4.718 -9.212 1.00 64.02 H new ATOM 0 HA ALA A 113 7.674 -2.768 -7.441 1.00 10.11 H new ATOM 0 HB1 ALA A 113 5.967 -4.459 -6.805 1.00 23.13 H new ATOM 0 HB2 ALA A 113 6.207 -4.384 -8.567 1.00 23.13 H new ATOM 0 HB3 ALA A 113 6.921 -5.716 -7.627 1.00 23.13 H new ATOM 1921 N LEU A 114 9.291 -5.232 -5.887 1.00 53.22 N ATOM 1922 CA LEU A 114 9.958 -5.620 -4.616 1.00 4.12 C ATOM 1923 C LEU A 114 10.988 -4.552 -4.169 1.00 34.10 C ATOM 1924 O LEU A 114 11.038 -4.177 -2.989 1.00 51.20 O ATOM 1925 CB LEU A 114 10.680 -6.996 -4.738 1.00 52.11 C ATOM 1926 CG LEU A 114 9.816 -8.231 -5.136 1.00 53.42 C ATOM 1927 CD1 LEU A 114 10.673 -9.516 -5.141 1.00 42.35 C ATOM 1928 CD2 LEU A 114 8.591 -8.397 -4.217 1.00 15.23 C ATOM 0 H LEU A 114 9.435 -5.898 -6.646 1.00 53.22 H new ATOM 0 HA LEU A 114 9.169 -5.698 -3.868 1.00 4.12 H new ATOM 0 HB2 LEU A 114 11.478 -6.893 -5.474 1.00 52.11 H new ATOM 0 HB3 LEU A 114 11.155 -7.212 -3.781 1.00 52.11 H new ATOM 0 HG LEU A 114 9.443 -8.056 -6.145 1.00 53.42 H new ATOM 0 HD11 LEU A 114 10.052 -10.367 -5.421 1.00 42.35 H new ATOM 0 HD12 LEU A 114 11.486 -9.408 -5.859 1.00 42.35 H new ATOM 0 HD13 LEU A 114 11.087 -9.681 -4.146 1.00 42.35 H new ATOM 0 HD21 LEU A 114 8.017 -9.269 -4.530 1.00 15.23 H new ATOM 0 HD22 LEU A 114 8.924 -8.532 -3.188 1.00 15.23 H new ATOM 0 HD23 LEU A 114 7.964 -7.508 -4.282 1.00 15.23 H new ATOM 1940 N LYS A 115 11.803 -4.064 -5.130 1.00 5.33 N ATOM 1941 CA LYS A 115 12.876 -3.086 -4.855 1.00 60.31 C ATOM 1942 C LYS A 115 12.307 -1.656 -4.671 1.00 71.13 C ATOM 1943 O LYS A 115 13.004 -0.769 -4.175 1.00 63.21 O ATOM 1944 CB LYS A 115 14.020 -3.142 -5.914 1.00 65.13 C ATOM 1945 CG LYS A 115 13.694 -2.567 -7.306 1.00 51.14 C ATOM 1946 CD LYS A 115 14.915 -2.595 -8.258 1.00 41.21 C ATOM 1947 CE LYS A 115 14.613 -1.981 -9.637 1.00 43.14 C ATOM 1948 NZ LYS A 115 14.228 -0.546 -9.547 1.00 74.32 N ATOM 0 H LYS A 115 11.736 -4.335 -6.111 1.00 5.33 H new ATOM 0 HA LYS A 115 13.333 -3.371 -3.907 1.00 60.31 H new ATOM 0 HB2 LYS A 115 14.881 -2.605 -5.516 1.00 65.13 H new ATOM 0 HB3 LYS A 115 14.322 -4.182 -6.036 1.00 65.13 H new ATOM 0 HG2 LYS A 115 12.878 -3.137 -7.750 1.00 51.14 H new ATOM 0 HG3 LYS A 115 13.344 -1.540 -7.199 1.00 51.14 H new ATOM 0 HD2 LYS A 115 15.741 -2.053 -7.797 1.00 41.21 H new ATOM 0 HD3 LYS A 115 15.244 -3.626 -8.389 1.00 41.21 H new ATOM 0 HE2 LYS A 115 15.491 -2.080 -10.276 1.00 43.14 H new ATOM 0 HE3 LYS A 115 13.808 -2.541 -10.113 1.00 43.14 H new ATOM 0 HZ1 LYS A 115 13.857 -0.228 -10.465 1.00 74.32 H new ATOM 0 HZ2 LYS A 115 13.496 -0.428 -8.818 1.00 74.32 H new ATOM 0 HZ3 LYS A 115 15.062 0.022 -9.295 1.00 74.32 H new ATOM 1962 N ILE A 116 11.065 -1.416 -5.137 1.00 73.53 N ATOM 1963 CA ILE A 116 10.333 -0.168 -4.846 1.00 4.44 C ATOM 1964 C ILE A 116 9.723 -0.223 -3.418 1.00 43.42 C ATOM 1965 O ILE A 116 9.634 0.804 -2.733 1.00 1.14 O ATOM 1966 CB ILE A 116 9.221 0.126 -5.931 1.00 4.32 C ATOM 1967 CG1 ILE A 116 9.851 0.294 -7.354 1.00 30.45 C ATOM 1968 CG2 ILE A 116 8.381 1.369 -5.572 1.00 73.35 C ATOM 1969 CD1 ILE A 116 10.878 1.411 -7.491 1.00 75.21 C ATOM 0 H ILE A 116 10.546 -2.074 -5.719 1.00 73.53 H new ATOM 0 HA ILE A 116 11.045 0.657 -4.888 1.00 4.44 H new ATOM 0 HB ILE A 116 8.555 -0.737 -5.943 1.00 4.32 H new ATOM 0 HG12 ILE A 116 10.324 -0.647 -7.636 1.00 30.45 H new ATOM 0 HG13 ILE A 116 9.048 0.474 -8.069 1.00 30.45 H new ATOM 0 HG21 ILE A 116 7.629 1.535 -6.343 1.00 73.35 H new ATOM 0 HG22 ILE A 116 7.888 1.210 -4.613 1.00 73.35 H new ATOM 0 HG23 ILE A 116 9.032 2.241 -5.506 1.00 73.35 H new ATOM 0 HD11 ILE A 116 11.250 1.439 -8.515 1.00 75.21 H new ATOM 0 HD12 ILE A 116 10.412 2.366 -7.248 1.00 75.21 H new ATOM 0 HD13 ILE A 116 11.708 1.228 -6.808 1.00 75.21 H new ATOM 1981 N VAL A 117 9.331 -1.435 -2.961 1.00 65.45 N ATOM 1982 CA VAL A 117 8.842 -1.655 -1.575 1.00 52.24 C ATOM 1983 C VAL A 117 9.945 -1.313 -0.557 1.00 11.55 C ATOM 1984 O VAL A 117 9.675 -0.705 0.483 1.00 30.05 O ATOM 1985 CB VAL A 117 8.346 -3.133 -1.342 1.00 55.02 C ATOM 1986 CG1 VAL A 117 7.923 -3.383 0.128 1.00 54.24 C ATOM 1987 CG2 VAL A 117 7.184 -3.478 -2.292 1.00 71.15 C ATOM 0 H VAL A 117 9.343 -2.280 -3.532 1.00 65.45 H new ATOM 0 HA VAL A 117 7.989 -0.992 -1.431 1.00 52.24 H new ATOM 0 HB VAL A 117 9.190 -3.787 -1.560 1.00 55.02 H new ATOM 0 HG11 VAL A 117 7.589 -4.414 0.240 1.00 54.24 H new ATOM 0 HG12 VAL A 117 8.773 -3.203 0.787 1.00 54.24 H new ATOM 0 HG13 VAL A 117 7.110 -2.707 0.392 1.00 54.24 H new ATOM 0 HG21 VAL A 117 6.859 -4.503 -2.112 1.00 71.15 H new ATOM 0 HG22 VAL A 117 6.352 -2.797 -2.112 1.00 71.15 H new ATOM 0 HG23 VAL A 117 7.517 -3.379 -3.325 1.00 71.15 H new ATOM 1997 N ARG A 118 11.195 -1.690 -0.889 1.00 24.52 N ATOM 1998 CA ARG A 118 12.352 -1.440 -0.017 1.00 23.33 C ATOM 1999 C ARG A 118 12.711 0.061 0.018 1.00 50.01 C ATOM 2000 O ARG A 118 13.356 0.510 0.962 1.00 24.23 O ATOM 2001 CB ARG A 118 13.572 -2.310 -0.430 1.00 14.04 C ATOM 2002 CG ARG A 118 14.428 -1.754 -1.582 1.00 74.11 C ATOM 2003 CD ARG A 118 15.564 -2.698 -1.982 1.00 34.32 C ATOM 2004 NE ARG A 118 16.480 -2.977 -0.859 1.00 21.41 N ATOM 2005 CZ ARG A 118 17.234 -4.083 -0.733 1.00 53.35 C ATOM 2006 NH1 ARG A 118 17.211 -5.040 -1.658 1.00 71.42 N ATOM 2007 NH2 ARG A 118 18.016 -4.230 0.325 1.00 23.33 N ATOM 0 H ARG A 118 11.426 -2.170 -1.759 1.00 24.52 H new ATOM 0 HA ARG A 118 12.073 -1.734 0.995 1.00 23.33 H new ATOM 0 HB2 ARG A 118 14.212 -2.443 0.442 1.00 14.04 H new ATOM 0 HB3 ARG A 118 13.211 -3.298 -0.714 1.00 14.04 H new ATOM 0 HG2 ARG A 118 13.791 -1.572 -2.447 1.00 74.11 H new ATOM 0 HG3 ARG A 118 14.847 -0.792 -1.286 1.00 74.11 H new ATOM 0 HD2 ARG A 118 15.144 -3.635 -2.347 1.00 34.32 H new ATOM 0 HD3 ARG A 118 16.126 -2.258 -2.806 1.00 34.32 H new ATOM 0 HE ARG A 118 16.546 -2.276 -0.121 1.00 21.41 H new ATOM 0 HH11 ARG A 118 16.614 -4.941 -2.479 1.00 71.42 H new ATOM 0 HH12 ARG A 118 17.790 -5.872 -1.545 1.00 71.42 H new ATOM 0 HH21 ARG A 118 18.045 -3.505 1.042 1.00 23.33 H new ATOM 0 HH22 ARG A 118 18.589 -5.068 0.423 1.00 23.33 H new ATOM 2021 N GLU A 119 12.293 0.824 -1.022 1.00 51.12 N ATOM 2022 CA GLU A 119 12.399 2.295 -1.026 1.00 40.02 C ATOM 2023 C GLU A 119 11.509 2.889 0.076 1.00 0.41 C ATOM 2024 O GLU A 119 11.904 3.827 0.769 1.00 75.02 O ATOM 2025 CB GLU A 119 11.985 2.883 -2.406 1.00 10.15 C ATOM 2026 CG GLU A 119 12.945 2.555 -3.567 1.00 62.02 C ATOM 2027 CD GLU A 119 14.348 3.155 -3.367 1.00 15.25 C ATOM 2028 OE1 GLU A 119 14.451 4.400 -3.247 1.00 71.50 O ATOM 2029 OE2 GLU A 119 15.341 2.400 -3.315 1.00 51.03 O ATOM 0 H GLU A 119 11.878 0.438 -1.870 1.00 51.12 H new ATOM 0 HA GLU A 119 13.439 2.559 -0.837 1.00 40.02 H new ATOM 0 HB2 GLU A 119 10.992 2.512 -2.659 1.00 10.15 H new ATOM 0 HB3 GLU A 119 11.906 3.966 -2.314 1.00 10.15 H new ATOM 0 HG2 GLU A 119 13.029 1.473 -3.669 1.00 62.02 H new ATOM 0 HG3 GLU A 119 12.523 2.931 -4.499 1.00 62.02 H new ATOM 2036 N PHE A 120 10.289 2.334 0.204 1.00 2.52 N ATOM 2037 CA PHE A 120 9.346 2.716 1.267 1.00 22.10 C ATOM 2038 C PHE A 120 9.871 2.305 2.641 1.00 4.41 C ATOM 2039 O PHE A 120 9.757 3.074 3.578 1.00 63.34 O ATOM 2040 CB PHE A 120 7.965 2.082 1.034 1.00 52.11 C ATOM 2041 CG PHE A 120 7.361 2.416 -0.315 1.00 1.24 C ATOM 2042 CD1 PHE A 120 7.248 3.738 -0.742 1.00 30.42 C ATOM 2043 CD2 PHE A 120 6.911 1.413 -1.160 1.00 23.04 C ATOM 2044 CE1 PHE A 120 6.699 4.037 -1.968 1.00 70.44 C ATOM 2045 CE2 PHE A 120 6.373 1.715 -2.376 1.00 3.50 C ATOM 2046 CZ PHE A 120 6.261 3.021 -2.782 1.00 75.13 C ATOM 0 H PHE A 120 9.933 1.613 -0.423 1.00 2.52 H new ATOM 0 HA PHE A 120 9.246 3.801 1.237 1.00 22.10 H new ATOM 0 HB2 PHE A 120 8.052 0.999 1.125 1.00 52.11 H new ATOM 0 HB3 PHE A 120 7.285 2.414 1.819 1.00 52.11 H new ATOM 0 HD1 PHE A 120 7.595 4.537 -0.103 1.00 30.42 H new ATOM 0 HD2 PHE A 120 6.987 0.381 -0.852 1.00 23.04 H new ATOM 0 HE1 PHE A 120 6.613 5.065 -2.288 1.00 70.44 H new ATOM 0 HE2 PHE A 120 6.033 0.921 -3.024 1.00 3.50 H new ATOM 0 HZ PHE A 120 5.827 3.251 -3.744 1.00 75.13 H new ATOM 2056 N MET A 121 10.435 1.084 2.747 1.00 11.14 N ATOM 2057 CA MET A 121 11.016 0.572 4.006 1.00 22.24 C ATOM 2058 C MET A 121 12.256 1.395 4.443 1.00 62.42 C ATOM 2059 O MET A 121 12.541 1.523 5.639 1.00 1.04 O ATOM 2060 CB MET A 121 11.356 -0.943 3.884 1.00 51.13 C ATOM 2061 CG MET A 121 10.137 -1.858 3.666 1.00 55.43 C ATOM 2062 SD MET A 121 10.513 -3.616 3.887 1.00 32.33 S ATOM 2063 CE MET A 121 11.533 -4.008 2.465 1.00 13.53 C ATOM 0 H MET A 121 10.501 0.429 1.968 1.00 11.14 H new ATOM 0 HA MET A 121 10.264 0.687 4.787 1.00 22.24 H new ATOM 0 HB2 MET A 121 12.050 -1.081 3.055 1.00 51.13 H new ATOM 0 HB3 MET A 121 11.874 -1.260 4.789 1.00 51.13 H new ATOM 0 HG2 MET A 121 9.348 -1.572 4.361 1.00 55.43 H new ATOM 0 HG3 MET A 121 9.748 -1.700 2.660 1.00 55.43 H new ATOM 0 HE1 MET A 121 11.745 -5.077 2.453 1.00 13.53 H new ATOM 0 HE2 MET A 121 11.005 -3.733 1.552 1.00 13.53 H new ATOM 0 HE3 MET A 121 12.469 -3.453 2.525 1.00 13.53 H new ATOM 2073 N GLN A 122 12.981 1.930 3.447 1.00 75.32 N ATOM 2074 CA GLN A 122 14.112 2.867 3.635 1.00 42.20 C ATOM 2075 C GLN A 122 13.637 4.184 4.283 1.00 62.33 C ATOM 2076 O GLN A 122 14.141 4.598 5.336 1.00 14.01 O ATOM 2077 CB GLN A 122 14.732 3.156 2.237 1.00 51.40 C ATOM 2078 CG GLN A 122 15.813 4.259 2.166 1.00 22.15 C ATOM 2079 CD GLN A 122 16.114 4.705 0.729 1.00 1.32 C ATOM 2080 OE1 GLN A 122 15.237 4.690 -0.140 1.00 51.43 O ATOM 2081 NE2 GLN A 122 17.340 5.130 0.470 1.00 21.12 N ATOM 0 H GLN A 122 12.797 1.722 2.466 1.00 75.32 H new ATOM 0 HA GLN A 122 14.852 2.420 4.300 1.00 42.20 H new ATOM 0 HB2 GLN A 122 15.167 2.230 1.861 1.00 51.40 H new ATOM 0 HB3 GLN A 122 13.924 3.428 1.557 1.00 51.40 H new ATOM 0 HG2 GLN A 122 15.485 5.120 2.748 1.00 22.15 H new ATOM 0 HG3 GLN A 122 16.730 3.893 2.628 1.00 22.15 H new ATOM 0 HE21 GLN A 122 18.045 5.132 1.207 1.00 21.12 H new ATOM 0 HE22 GLN A 122 17.580 5.456 -0.466 1.00 21.12 H new ATOM 2090 N LYS A 123 12.637 4.808 3.640 1.00 32.43 N ATOM 2091 CA LYS A 123 12.138 6.152 4.003 1.00 70.11 C ATOM 2092 C LYS A 123 11.290 6.112 5.288 1.00 20.24 C ATOM 2093 O LYS A 123 11.275 7.070 6.059 1.00 73.24 O ATOM 2094 CB LYS A 123 11.340 6.741 2.813 1.00 71.20 C ATOM 2095 CG LYS A 123 12.185 6.918 1.529 1.00 62.44 C ATOM 2096 CD LYS A 123 11.337 7.251 0.278 1.00 14.32 C ATOM 2097 CE LYS A 123 12.190 7.355 -1.002 1.00 42.20 C ATOM 2098 NZ LYS A 123 12.960 6.106 -1.269 1.00 32.31 N ATOM 0 H LYS A 123 12.146 4.394 2.847 1.00 32.43 H new ATOM 0 HA LYS A 123 12.989 6.800 4.212 1.00 70.11 H new ATOM 0 HB2 LYS A 123 10.495 6.089 2.595 1.00 71.20 H new ATOM 0 HB3 LYS A 123 10.930 7.708 3.104 1.00 71.20 H new ATOM 0 HG2 LYS A 123 12.913 7.714 1.688 1.00 62.44 H new ATOM 0 HG3 LYS A 123 12.748 6.003 1.344 1.00 62.44 H new ATOM 0 HD2 LYS A 123 10.577 6.482 0.143 1.00 14.32 H new ATOM 0 HD3 LYS A 123 10.812 8.193 0.439 1.00 14.32 H new ATOM 0 HE2 LYS A 123 11.542 7.569 -1.852 1.00 42.20 H new ATOM 0 HE3 LYS A 123 12.881 8.193 -0.909 1.00 42.20 H new ATOM 0 HZ1 LYS A 123 13.093 5.993 -2.294 1.00 32.31 H new ATOM 0 HZ2 LYS A 123 13.888 6.164 -0.804 1.00 32.31 H new ATOM 0 HZ3 LYS A 123 12.436 5.289 -0.896 1.00 32.31 H new ATOM 2112 N ALA A 124 10.598 4.985 5.499 1.00 4.11 N ATOM 2113 CA ALA A 124 9.842 4.706 6.733 1.00 52.21 C ATOM 2114 C ALA A 124 10.805 4.397 7.890 1.00 33.40 C ATOM 2115 O ALA A 124 10.499 4.680 9.045 1.00 4.41 O ATOM 2116 CB ALA A 124 8.865 3.543 6.511 1.00 73.51 C ATOM 0 H ALA A 124 10.545 4.232 4.813 1.00 4.11 H new ATOM 0 HA ALA A 124 9.263 5.591 6.996 1.00 52.21 H new ATOM 0 HB1 ALA A 124 8.314 3.350 7.432 1.00 73.51 H new ATOM 0 HB2 ALA A 124 8.165 3.803 5.717 1.00 73.51 H new ATOM 0 HB3 ALA A 124 9.421 2.650 6.226 1.00 73.51 H new ATOM 2122 N GLY A 125 11.966 3.799 7.553 1.00 43.21 N ATOM 2123 CA GLY A 125 13.062 3.606 8.508 1.00 74.13 C ATOM 2124 C GLY A 125 13.675 4.933 8.958 1.00 52.31 C ATOM 2125 O GLY A 125 14.169 5.054 10.085 1.00 10.32 O ATOM 0 H GLY A 125 12.163 3.441 6.618 1.00 43.21 H new ATOM 0 HA2 GLY A 125 12.692 3.065 9.379 1.00 74.13 H new ATOM 0 HA3 GLY A 125 13.834 2.987 8.052 1.00 74.13 H new