USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 798 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 32 THR OG1 : rot -57:sc= -1.14 USER MOD Set 1.2: A 34 LYS NZ :NH3+ -140:sc= 0.809 (180deg=-0.641) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -23:sc= 0.821 USER MOD Single : A 23 THR OG1 : rot 60:sc= 0.46 USER MOD Single : A 26 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.6!) USER MOD Single : A 42 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.88) USER MOD Single : A 46 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.39) USER MOD Single : A 47 THR OG1 : rot 35:sc= 1.52 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 56 ASN : amide:sc= -0.672 K(o=-0.67,f=-4.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 66 THR OG1 : rot -45:sc= 1.19 USER MOD Single : A 67 ASN : amide:sc= -0.407 K(o=-0.41,f=-10!) USER MOD Single : A 70 ASN : amide:sc= -0.754 K(o=-0.75,f=-7.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 75 SER OG : rot -100:sc= -0.14 USER MOD Single : A 79 GLN : amide:sc= -0.888 K(o=-0.89,f=-3) USER MOD Single : A 84 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.0014) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 94 HIS : no HE2:sc= -0.0858 K(o=-0.086,f=-0.61) USER MOD Single : A 95 HIS : no HD1:sc= -0.445 X(o=-0.45,f=0.01) USER MOD Single : A 96 HIS : no HD1:sc= -0.0506 K(o=-0.051,f=-1.7) USER MOD Single : A 97 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.28) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.110 -19.626 -3.117 1.00 74.21 N ATOM 2 CA GLY A 1 25.165 -19.274 -4.108 1.00 0.24 C ATOM 3 C GLY A 1 25.153 -17.793 -4.469 1.00 12.11 C ATOM 4 O GLY A 1 25.675 -16.964 -3.722 1.00 72.43 O ATOM 0 H1 GLY A 1 24.159 -20.643 -2.904 1.00 74.21 H new ATOM 0 H2 GLY A 1 24.259 -19.082 -2.243 1.00 74.21 H new ATOM 0 H3 GLY A 1 23.174 -19.400 -3.511 1.00 74.21 H new ATOM 0 HA2 GLY A 1 26.142 -19.539 -3.704 1.00 0.24 H new ATOM 0 HA3 GLY A 1 25.023 -19.867 -5.012 1.00 0.24 H new ATOM 10 N ASP A 2 24.562 -17.456 -5.616 1.00 32.52 N ATOM 11 CA ASP A 2 24.449 -16.059 -6.051 1.00 20.10 C ATOM 12 C ASP A 2 23.205 -15.381 -5.445 1.00 34.44 C ATOM 13 O ASP A 2 22.485 -15.979 -4.642 1.00 20.33 O ATOM 14 CB ASP A 2 24.410 -15.996 -7.583 1.00 34.10 C ATOM 15 CG ASP A 2 23.249 -16.782 -8.163 1.00 4.13 C ATOM 16 OD1 ASP A 2 23.340 -18.028 -8.222 1.00 44.33 O ATOM 17 OD2 ASP A 2 22.239 -16.161 -8.554 1.00 34.22 O ATOM 0 H ASP A 2 24.153 -18.130 -6.263 1.00 32.52 H new ATOM 0 HA ASP A 2 25.323 -15.514 -5.694 1.00 20.10 H new ATOM 0 HB2 ASP A 2 24.336 -14.956 -7.900 1.00 34.10 H new ATOM 0 HB3 ASP A 2 25.346 -16.385 -7.984 1.00 34.10 H new ATOM 22 N ARG A 3 22.952 -14.133 -5.840 1.00 1.01 N ATOM 23 CA ARG A 3 21.849 -13.345 -5.267 1.00 34.32 C ATOM 24 C ARG A 3 20.749 -13.043 -6.308 1.00 62.40 C ATOM 25 O ARG A 3 19.575 -13.318 -6.066 1.00 24.32 O ATOM 26 CB ARG A 3 22.380 -12.038 -4.632 1.00 24.12 C ATOM 27 CG ARG A 3 23.406 -11.284 -5.480 1.00 34.55 C ATOM 28 CD ARG A 3 24.802 -11.900 -5.382 1.00 21.52 C ATOM 29 NE ARG A 3 25.698 -11.409 -6.429 1.00 51.02 N ATOM 30 CZ ARG A 3 26.803 -12.008 -6.788 1.00 25.01 C ATOM 31 NH1 ARG A 3 27.214 -13.063 -6.159 1.00 73.50 N ATOM 32 NH2 ARG A 3 27.511 -11.535 -7.760 1.00 51.01 N ATOM 0 H ARG A 3 23.492 -13.643 -6.553 1.00 1.01 H new ATOM 0 HA ARG A 3 21.393 -13.951 -4.484 1.00 34.32 H new ATOM 0 HB2 ARG A 3 21.536 -11.377 -4.435 1.00 24.12 H new ATOM 0 HB3 ARG A 3 22.830 -12.276 -3.668 1.00 24.12 H new ATOM 0 HG2 ARG A 3 23.084 -11.283 -6.521 1.00 34.55 H new ATOM 0 HG3 ARG A 3 23.447 -10.243 -5.158 1.00 34.55 H new ATOM 0 HD2 ARG A 3 25.229 -11.674 -4.405 1.00 21.52 H new ATOM 0 HD3 ARG A 3 24.724 -12.985 -5.452 1.00 21.52 H new ATOM 0 HE ARG A 3 25.445 -10.545 -6.909 1.00 51.02 H new ATOM 0 HH11 ARG A 3 26.674 -13.433 -5.377 1.00 73.50 H new ATOM 0 HH12 ARG A 3 28.077 -13.524 -6.446 1.00 73.50 H new ATOM 0 HH21 ARG A 3 27.208 -10.693 -8.249 1.00 51.01 H new ATOM 0 HH22 ARG A 3 28.373 -12.004 -8.038 1.00 51.01 H new ATOM 46 N ARG A 4 21.126 -12.468 -7.457 1.00 61.45 N ATOM 47 CA ARG A 4 20.161 -12.204 -8.541 1.00 60.10 C ATOM 48 C ARG A 4 20.875 -11.861 -9.857 1.00 21.41 C ATOM 49 O ARG A 4 21.904 -11.187 -9.859 1.00 23.23 O ATOM 50 CB ARG A 4 19.168 -11.080 -8.159 1.00 64.11 C ATOM 51 CG ARG A 4 19.736 -9.654 -8.135 1.00 51.23 C ATOM 52 CD ARG A 4 20.811 -9.458 -7.067 1.00 54.11 C ATOM 53 NE ARG A 4 21.047 -8.041 -6.774 1.00 20.02 N ATOM 54 CZ ARG A 4 22.224 -7.466 -6.758 1.00 52.52 C ATOM 55 NH1 ARG A 4 23.290 -8.115 -7.111 1.00 2.34 N ATOM 56 NH2 ARG A 4 22.324 -6.221 -6.418 1.00 73.43 N ATOM 0 H ARG A 4 22.082 -12.178 -7.663 1.00 61.45 H new ATOM 0 HA ARG A 4 19.592 -13.122 -8.690 1.00 60.10 H new ATOM 0 HB2 ARG A 4 18.335 -11.105 -8.861 1.00 64.11 H new ATOM 0 HB3 ARG A 4 18.760 -11.303 -7.173 1.00 64.11 H new ATOM 0 HG2 ARG A 4 20.156 -9.420 -9.113 1.00 51.23 H new ATOM 0 HG3 ARG A 4 18.924 -8.948 -7.959 1.00 51.23 H new ATOM 0 HD2 ARG A 4 20.511 -9.971 -6.153 1.00 54.11 H new ATOM 0 HD3 ARG A 4 21.741 -9.918 -7.401 1.00 54.11 H new ATOM 0 HE ARG A 4 20.235 -7.460 -6.567 1.00 20.02 H new ATOM 0 HH11 ARG A 4 23.220 -9.089 -7.407 1.00 2.34 H new ATOM 0 HH12 ARG A 4 24.199 -7.652 -7.093 1.00 2.34 H new ATOM 0 HH21 ARG A 4 21.489 -5.693 -6.164 1.00 73.43 H new ATOM 0 HH22 ARG A 4 23.238 -5.768 -6.404 1.00 73.43 H new ATOM 70 N VAL A 5 20.326 -12.338 -10.974 1.00 65.52 N ATOM 71 CA VAL A 5 20.914 -12.093 -12.297 1.00 31.54 C ATOM 72 C VAL A 5 20.071 -11.096 -13.105 1.00 14.11 C ATOM 73 O VAL A 5 18.927 -11.380 -13.470 1.00 73.13 O ATOM 74 CB VAL A 5 21.054 -13.413 -13.099 1.00 51.12 C ATOM 75 CG1 VAL A 5 21.718 -13.160 -14.452 1.00 12.24 C ATOM 76 CG2 VAL A 5 21.836 -14.453 -12.295 1.00 62.12 C ATOM 0 H VAL A 5 19.473 -12.898 -10.992 1.00 65.52 H new ATOM 0 HA VAL A 5 21.904 -11.668 -12.133 1.00 31.54 H new ATOM 0 HB VAL A 5 20.054 -13.807 -13.283 1.00 51.12 H new ATOM 0 HG11 VAL A 5 21.805 -14.100 -14.996 1.00 12.24 H new ATOM 0 HG12 VAL A 5 21.112 -12.462 -15.030 1.00 12.24 H new ATOM 0 HG13 VAL A 5 22.711 -12.737 -14.297 1.00 12.24 H new ATOM 0 HG21 VAL A 5 21.923 -15.371 -12.875 1.00 62.12 H new ATOM 0 HG22 VAL A 5 22.831 -14.068 -12.073 1.00 62.12 H new ATOM 0 HG23 VAL A 5 21.312 -14.661 -11.362 1.00 62.12 H new ATOM 86 N ARG A 6 20.634 -9.920 -13.376 1.00 74.01 N ATOM 87 CA ARG A 6 19.931 -8.890 -14.148 1.00 61.43 C ATOM 88 C ARG A 6 20.586 -8.658 -15.519 1.00 62.32 C ATOM 89 O ARG A 6 21.353 -7.711 -15.703 1.00 75.53 O ATOM 90 CB ARG A 6 19.868 -7.569 -13.363 1.00 65.12 C ATOM 91 CG ARG A 6 19.050 -7.634 -12.069 1.00 32.04 C ATOM 92 CD ARG A 6 17.557 -7.850 -12.334 1.00 54.35 C ATOM 93 NE ARG A 6 17.274 -9.189 -12.849 1.00 15.01 N ATOM 94 CZ ARG A 6 16.341 -9.471 -13.720 1.00 34.23 C ATOM 95 NH1 ARG A 6 15.564 -8.543 -14.187 1.00 1.52 N ATOM 96 NH2 ARG A 6 16.190 -10.691 -14.125 1.00 41.04 N ATOM 0 H ARG A 6 21.572 -9.655 -13.075 1.00 74.01 H new ATOM 0 HA ARG A 6 18.917 -9.251 -14.318 1.00 61.43 H new ATOM 0 HB2 ARG A 6 20.884 -7.257 -13.120 1.00 65.12 H new ATOM 0 HB3 ARG A 6 19.444 -6.799 -14.007 1.00 65.12 H new ATOM 0 HG2 ARG A 6 19.427 -8.444 -11.444 1.00 32.04 H new ATOM 0 HG3 ARG A 6 19.187 -6.709 -11.509 1.00 32.04 H new ATOM 0 HD2 ARG A 6 17.000 -7.693 -11.411 1.00 54.35 H new ATOM 0 HD3 ARG A 6 17.206 -7.106 -13.049 1.00 54.35 H new ATOM 0 HE ARG A 6 17.846 -9.959 -12.503 1.00 15.01 H new ATOM 0 HH11 ARG A 6 15.677 -7.578 -13.875 1.00 1.52 H new ATOM 0 HH12 ARG A 6 14.840 -8.778 -14.866 1.00 1.52 H new ATOM 0 HH21 ARG A 6 16.797 -11.427 -13.765 1.00 41.04 H new ATOM 0 HH22 ARG A 6 15.464 -10.917 -14.805 1.00 41.04 H new ATOM 110 N LEU A 7 20.289 -9.536 -16.478 1.00 24.32 N ATOM 111 CA LEU A 7 20.791 -9.380 -17.851 1.00 51.31 C ATOM 112 C LEU A 7 20.114 -8.172 -18.522 1.00 14.15 C ATOM 113 O LEU A 7 20.750 -7.152 -18.784 1.00 71.12 O ATOM 114 CB LEU A 7 20.534 -10.676 -18.653 1.00 10.42 C ATOM 115 CG LEU A 7 21.322 -10.844 -19.974 1.00 15.22 C ATOM 116 CD1 LEU A 7 21.216 -12.282 -20.478 1.00 62.43 C ATOM 117 CD2 LEU A 7 20.834 -9.873 -21.052 1.00 43.02 C ATOM 0 H LEU A 7 19.706 -10.361 -16.334 1.00 24.32 H new ATOM 0 HA LEU A 7 21.866 -9.199 -17.827 1.00 51.31 H new ATOM 0 HB2 LEU A 7 20.764 -11.525 -18.010 1.00 10.42 H new ATOM 0 HB3 LEU A 7 19.470 -10.729 -18.883 1.00 10.42 H new ATOM 0 HG LEU A 7 22.366 -10.613 -19.764 1.00 15.22 H new ATOM 0 HD11 LEU A 7 21.776 -12.384 -21.408 1.00 62.43 H new ATOM 0 HD12 LEU A 7 21.627 -12.961 -19.731 1.00 62.43 H new ATOM 0 HD13 LEU A 7 20.169 -12.529 -20.655 1.00 62.43 H new ATOM 0 HD21 LEU A 7 21.412 -10.022 -21.964 1.00 43.02 H new ATOM 0 HD22 LEU A 7 19.779 -10.057 -21.256 1.00 43.02 H new ATOM 0 HD23 LEU A 7 20.963 -8.848 -20.704 1.00 43.02 H new ATOM 129 N ILE A 8 18.817 -8.294 -18.790 1.00 3.54 N ATOM 130 CA ILE A 8 18.031 -7.193 -19.351 1.00 62.44 C ATOM 131 C ILE A 8 17.247 -6.466 -18.246 1.00 41.33 C ATOM 132 O ILE A 8 16.552 -7.092 -17.446 1.00 62.31 O ATOM 133 CB ILE A 8 17.056 -7.701 -20.448 1.00 53.25 C ATOM 134 CG1 ILE A 8 16.219 -6.537 -21.013 1.00 3.41 C ATOM 135 CG2 ILE A 8 16.152 -8.815 -19.908 1.00 13.22 C ATOM 136 CD1 ILE A 8 15.261 -6.945 -22.117 1.00 64.14 C ATOM 0 H ILE A 8 18.283 -9.148 -18.628 1.00 3.54 H new ATOM 0 HA ILE A 8 18.727 -6.491 -19.809 1.00 62.44 H new ATOM 0 HB ILE A 8 17.650 -8.119 -21.261 1.00 53.25 H new ATOM 0 HG12 ILE A 8 15.650 -6.085 -20.201 1.00 3.41 H new ATOM 0 HG13 ILE A 8 16.893 -5.771 -21.396 1.00 3.41 H new ATOM 0 HG21 ILE A 8 15.479 -9.152 -20.697 1.00 13.22 H new ATOM 0 HG22 ILE A 8 16.766 -9.651 -19.572 1.00 13.22 H new ATOM 0 HG23 ILE A 8 15.567 -8.435 -19.070 1.00 13.22 H new ATOM 0 HD11 ILE A 8 14.709 -6.070 -22.461 1.00 64.14 H new ATOM 0 HD12 ILE A 8 15.824 -7.370 -22.948 1.00 64.14 H new ATOM 0 HD13 ILE A 8 14.561 -7.688 -21.735 1.00 64.14 H new ATOM 148 N ARG A 9 17.387 -5.142 -18.183 1.00 75.13 N ATOM 149 CA ARG A 9 16.674 -4.338 -17.183 1.00 4.22 C ATOM 150 C ARG A 9 15.507 -3.567 -17.823 1.00 63.13 C ATOM 151 O ARG A 9 14.378 -3.607 -17.330 1.00 31.11 O ATOM 152 CB ARG A 9 17.637 -3.371 -16.462 1.00 15.21 C ATOM 153 CG ARG A 9 18.720 -4.075 -15.634 1.00 35.14 C ATOM 154 CD ARG A 9 19.883 -4.586 -16.489 1.00 51.51 C ATOM 155 NE ARG A 9 20.734 -3.495 -16.971 1.00 24.13 N ATOM 156 CZ ARG A 9 21.498 -3.562 -18.030 1.00 4.44 C ATOM 157 NH1 ARG A 9 21.515 -4.623 -18.769 1.00 74.24 N ATOM 158 NH2 ARG A 9 22.249 -2.558 -18.349 1.00 23.34 N ATOM 0 H ARG A 9 17.985 -4.602 -18.809 1.00 75.13 H new ATOM 0 HA ARG A 9 16.261 -5.021 -16.441 1.00 4.22 H new ATOM 0 HB2 ARG A 9 18.118 -2.733 -17.203 1.00 15.21 H new ATOM 0 HB3 ARG A 9 17.059 -2.719 -15.807 1.00 15.21 H new ATOM 0 HG2 ARG A 9 19.103 -3.384 -14.883 1.00 35.14 H new ATOM 0 HG3 ARG A 9 18.274 -4.913 -15.098 1.00 35.14 H new ATOM 0 HD2 ARG A 9 20.484 -5.282 -15.904 1.00 51.51 H new ATOM 0 HD3 ARG A 9 19.490 -5.142 -17.340 1.00 51.51 H new ATOM 0 HE ARG A 9 20.730 -2.622 -16.443 1.00 24.13 H new ATOM 0 HH11 ARG A 9 20.927 -5.421 -18.529 1.00 74.24 H new ATOM 0 HH12 ARG A 9 22.116 -4.661 -19.592 1.00 74.24 H new ATOM 0 HH21 ARG A 9 22.245 -1.715 -17.775 1.00 23.34 H new ATOM 0 HH22 ARG A 9 22.845 -2.609 -19.175 1.00 23.34 H new ATOM 172 N THR A 10 15.780 -2.871 -18.925 1.00 43.30 N ATOM 173 CA THR A 10 14.732 -2.150 -19.664 1.00 42.33 C ATOM 174 C THR A 10 14.195 -2.979 -20.841 1.00 64.41 C ATOM 175 O THR A 10 14.956 -3.449 -21.689 1.00 32.23 O ATOM 176 CB THR A 10 15.218 -0.779 -20.203 1.00 31.51 C ATOM 177 OG1 THR A 10 14.198 -0.193 -21.032 1.00 13.43 O ATOM 178 CG2 THR A 10 16.514 -0.914 -21.001 1.00 12.31 C ATOM 0 H THR A 10 16.713 -2.788 -19.329 1.00 43.30 H new ATOM 0 HA THR A 10 13.933 -1.978 -18.942 1.00 42.33 H new ATOM 0 HB THR A 10 15.416 -0.135 -19.347 1.00 31.51 H new ATOM 0 HG1 THR A 10 14.508 0.673 -21.369 1.00 13.43 H new ATOM 0 HG21 THR A 10 16.823 0.067 -21.362 1.00 12.31 H new ATOM 0 HG22 THR A 10 17.294 -1.327 -20.361 1.00 12.31 H new ATOM 0 HG23 THR A 10 16.351 -1.578 -21.850 1.00 12.31 H new ATOM 186 N ARG A 11 12.879 -3.161 -20.883 1.00 14.45 N ATOM 187 CA ARG A 11 12.228 -3.892 -21.981 1.00 0.35 C ATOM 188 C ARG A 11 11.208 -2.993 -22.700 1.00 12.33 C ATOM 189 O ARG A 11 10.319 -3.474 -23.405 1.00 23.42 O ATOM 190 CB ARG A 11 11.556 -5.171 -21.435 1.00 34.24 C ATOM 191 CG ARG A 11 10.436 -4.923 -20.413 1.00 51.13 C ATOM 192 CD ARG A 11 9.050 -4.922 -21.059 1.00 70.41 C ATOM 193 NE ARG A 11 8.703 -6.233 -21.617 1.00 3.33 N ATOM 194 CZ ARG A 11 8.493 -6.468 -22.887 1.00 21.03 C ATOM 195 NH1 ARG A 11 8.679 -5.541 -23.771 1.00 61.43 N ATOM 196 NH2 ARG A 11 8.129 -7.646 -23.275 1.00 32.21 N ATOM 0 H ARG A 11 12.236 -2.814 -20.171 1.00 14.45 H new ATOM 0 HA ARG A 11 12.984 -4.184 -22.710 1.00 0.35 H new ATOM 0 HB2 ARG A 11 11.146 -5.735 -22.273 1.00 34.24 H new ATOM 0 HB3 ARG A 11 12.319 -5.797 -20.972 1.00 34.24 H new ATOM 0 HG2 ARG A 11 10.474 -5.692 -19.642 1.00 51.13 H new ATOM 0 HG3 ARG A 11 10.604 -3.967 -19.918 1.00 51.13 H new ATOM 0 HD2 ARG A 11 8.305 -4.635 -20.317 1.00 70.41 H new ATOM 0 HD3 ARG A 11 9.019 -4.172 -21.849 1.00 70.41 H new ATOM 0 HE ARG A 11 8.619 -7.017 -20.970 1.00 3.33 H new ATOM 0 HH11 ARG A 11 8.993 -4.615 -23.481 1.00 61.43 H new ATOM 0 HH12 ARG A 11 8.512 -5.737 -24.758 1.00 61.43 H new ATOM 0 HH21 ARG A 11 8.005 -8.393 -22.591 1.00 32.21 H new ATOM 0 HH22 ARG A 11 7.965 -7.829 -24.265 1.00 32.21 H new ATOM 210 N GLY A 12 11.358 -1.681 -22.523 1.00 74.13 N ATOM 211 CA GLY A 12 10.424 -0.724 -23.108 1.00 12.50 C ATOM 212 C GLY A 12 10.771 -0.333 -24.544 1.00 11.34 C ATOM 213 O GLY A 12 10.681 -1.159 -25.454 1.00 14.12 O ATOM 0 H GLY A 12 12.113 -1.260 -21.982 1.00 74.13 H new ATOM 0 HA2 GLY A 12 9.421 -1.149 -23.088 1.00 12.50 H new ATOM 0 HA3 GLY A 12 10.402 0.174 -22.491 1.00 12.50 H new ATOM 217 N GLY A 13 11.151 0.929 -24.749 1.00 45.05 N ATOM 218 CA GLY A 13 11.506 1.408 -26.085 1.00 44.31 C ATOM 219 C GLY A 13 10.324 1.411 -27.051 1.00 54.24 C ATOM 220 O GLY A 13 9.606 2.403 -27.166 1.00 64.33 O ATOM 0 H GLY A 13 11.220 1.632 -24.014 1.00 45.05 H new ATOM 0 HA2 GLY A 13 11.908 2.418 -26.008 1.00 44.31 H new ATOM 0 HA3 GLY A 13 12.299 0.780 -26.491 1.00 44.31 H new ATOM 224 N ASN A 14 10.123 0.297 -27.748 1.00 60.53 N ATOM 225 CA ASN A 14 8.976 0.142 -28.653 1.00 51.24 C ATOM 226 C ASN A 14 7.763 -0.458 -27.917 1.00 11.43 C ATOM 227 O ASN A 14 6.707 -0.689 -28.513 1.00 51.44 O ATOM 228 CB ASN A 14 9.362 -0.748 -29.842 1.00 53.01 C ATOM 229 CG ASN A 14 10.547 -0.210 -30.631 1.00 70.10 C ATOM 230 OD1 ASN A 14 11.321 -0.970 -31.207 1.00 44.30 O ATOM 231 ND2 ASN A 14 10.700 1.098 -30.678 1.00 72.23 N ATOM 0 H ASN A 14 10.737 -0.516 -27.707 1.00 60.53 H new ATOM 0 HA ASN A 14 8.696 1.130 -29.018 1.00 51.24 H new ATOM 0 HB2 ASN A 14 9.599 -1.748 -29.478 1.00 53.01 H new ATOM 0 HB3 ASN A 14 8.505 -0.847 -30.508 1.00 53.01 H new ATOM 0 HD21 ASN A 14 11.476 1.502 -31.202 1.00 72.23 H new ATOM 0 HD22 ASN A 14 10.042 1.706 -30.190 1.00 72.23 H new ATOM 238 N THR A 15 7.927 -0.705 -26.619 1.00 12.42 N ATOM 239 CA THR A 15 6.869 -1.295 -25.785 1.00 2.32 C ATOM 240 C THR A 15 6.675 -0.491 -24.487 1.00 74.02 C ATOM 241 O THR A 15 7.603 0.174 -24.018 1.00 73.05 O ATOM 242 CB THR A 15 7.204 -2.767 -25.423 1.00 2.33 C ATOM 243 OG1 THR A 15 7.529 -3.509 -26.611 1.00 33.35 O ATOM 244 CG2 THR A 15 6.037 -3.447 -24.710 1.00 12.41 C ATOM 0 H THR A 15 8.790 -0.505 -26.113 1.00 12.42 H new ATOM 0 HA THR A 15 5.947 -1.267 -26.366 1.00 2.32 H new ATOM 0 HB THR A 15 8.061 -2.752 -24.749 1.00 2.33 H new ATOM 0 HG1 THR A 15 7.740 -4.435 -26.371 1.00 33.35 H new ATOM 0 HG21 THR A 15 6.306 -4.476 -24.471 1.00 12.41 H new ATOM 0 HG22 THR A 15 5.809 -2.909 -23.790 1.00 12.41 H new ATOM 0 HG23 THR A 15 5.161 -3.442 -25.359 1.00 12.41 H new ATOM 252 N LYS A 16 5.472 -0.556 -23.908 1.00 5.40 N ATOM 253 CA LYS A 16 5.175 0.149 -22.652 1.00 32.34 C ATOM 254 C LYS A 16 6.122 -0.273 -21.514 1.00 60.25 C ATOM 255 O LYS A 16 6.655 -1.389 -21.505 1.00 15.03 O ATOM 256 CB LYS A 16 3.721 -0.096 -22.220 1.00 33.44 C ATOM 257 CG LYS A 16 3.364 -1.573 -22.033 1.00 4.05 C ATOM 258 CD LYS A 16 2.134 -1.757 -21.144 1.00 64.23 C ATOM 259 CE LYS A 16 0.925 -0.978 -21.649 1.00 30.14 C ATOM 260 NZ LYS A 16 -0.228 -1.103 -20.723 1.00 22.01 N ATOM 0 H LYS A 16 4.688 -1.088 -24.286 1.00 5.40 H new ATOM 0 HA LYS A 16 5.325 1.211 -22.846 1.00 32.34 H new ATOM 0 HB2 LYS A 16 3.538 0.432 -21.284 1.00 33.44 H new ATOM 0 HB3 LYS A 16 3.054 0.336 -22.966 1.00 33.44 H new ATOM 0 HG2 LYS A 16 3.179 -2.027 -23.006 1.00 4.05 H new ATOM 0 HG3 LYS A 16 4.212 -2.098 -21.592 1.00 4.05 H new ATOM 0 HD2 LYS A 16 1.883 -2.816 -21.092 1.00 64.23 H new ATOM 0 HD3 LYS A 16 2.371 -1.435 -20.130 1.00 64.23 H new ATOM 0 HE2 LYS A 16 1.190 0.073 -21.762 1.00 30.14 H new ATOM 0 HE3 LYS A 16 0.642 -1.344 -22.636 1.00 30.14 H new ATOM 0 HZ1 LYS A 16 -1.033 -0.561 -21.096 1.00 22.01 H new ATOM 0 HZ2 LYS A 16 -0.495 -2.104 -20.635 1.00 22.01 H new ATOM 0 HZ3 LYS A 16 0.036 -0.731 -19.788 1.00 22.01 H new ATOM 274 N VAL A 17 6.318 0.621 -20.548 1.00 12.40 N ATOM 275 CA VAL A 17 7.185 0.342 -19.400 1.00 73.43 C ATOM 276 C VAL A 17 6.527 -0.641 -18.404 1.00 61.31 C ATOM 277 O VAL A 17 5.991 -0.244 -17.373 1.00 52.51 O ATOM 278 CB VAL A 17 7.612 1.654 -18.680 1.00 51.02 C ATOM 279 CG1 VAL A 17 6.395 2.467 -18.229 1.00 62.51 C ATOM 280 CG2 VAL A 17 8.548 1.354 -17.507 1.00 62.00 C ATOM 0 H VAL A 17 5.889 1.546 -20.535 1.00 12.40 H new ATOM 0 HA VAL A 17 8.082 -0.138 -19.791 1.00 73.43 H new ATOM 0 HB VAL A 17 8.161 2.264 -19.398 1.00 51.02 H new ATOM 0 HG11 VAL A 17 6.730 3.376 -17.730 1.00 62.51 H new ATOM 0 HG12 VAL A 17 5.791 2.731 -19.097 1.00 62.51 H new ATOM 0 HG13 VAL A 17 5.797 1.873 -17.538 1.00 62.51 H new ATOM 0 HG21 VAL A 17 8.832 2.287 -17.020 1.00 62.00 H new ATOM 0 HG22 VAL A 17 8.038 0.711 -16.790 1.00 62.00 H new ATOM 0 HG23 VAL A 17 9.442 0.850 -17.874 1.00 62.00 H new ATOM 290 N ARG A 18 6.570 -1.931 -18.760 1.00 53.32 N ATOM 291 CA ARG A 18 6.065 -3.060 -17.936 1.00 12.10 C ATOM 292 C ARG A 18 4.660 -2.842 -17.305 1.00 64.42 C ATOM 293 O ARG A 18 3.696 -3.504 -17.701 1.00 3.20 O ATOM 294 CB ARG A 18 7.116 -3.514 -16.883 1.00 52.32 C ATOM 295 CG ARG A 18 7.663 -2.428 -15.947 1.00 72.13 C ATOM 296 CD ARG A 18 7.040 -2.479 -14.553 1.00 11.32 C ATOM 297 NE ARG A 18 7.235 -3.779 -13.908 1.00 44.11 N ATOM 298 CZ ARG A 18 7.955 -3.970 -12.830 1.00 34.42 C ATOM 299 NH1 ARG A 18 8.613 -2.994 -12.286 1.00 72.02 N ATOM 300 NH2 ARG A 18 8.029 -5.150 -12.308 1.00 22.24 N ATOM 0 H ARG A 18 6.965 -2.237 -19.649 1.00 53.32 H new ATOM 0 HA ARG A 18 5.915 -3.875 -18.644 1.00 12.10 H new ATOM 0 HB2 ARG A 18 6.669 -4.298 -16.271 1.00 52.32 H new ATOM 0 HB3 ARG A 18 7.957 -3.963 -17.412 1.00 52.32 H new ATOM 0 HG2 ARG A 18 8.744 -2.539 -15.861 1.00 72.13 H new ATOM 0 HG3 ARG A 18 7.478 -1.448 -16.387 1.00 72.13 H new ATOM 0 HD2 ARG A 18 7.478 -1.698 -13.932 1.00 11.32 H new ATOM 0 HD3 ARG A 18 5.973 -2.268 -14.626 1.00 11.32 H new ATOM 0 HE ARG A 18 6.780 -4.590 -14.326 1.00 44.11 H new ATOM 0 HH11 ARG A 18 8.575 -2.061 -12.697 1.00 72.02 H new ATOM 0 HH12 ARG A 18 9.169 -3.159 -11.447 1.00 72.02 H new ATOM 0 HH21 ARG A 18 7.528 -5.929 -12.735 1.00 22.24 H new ATOM 0 HH22 ARG A 18 8.589 -5.302 -11.469 1.00 22.24 H new ATOM 314 N LEU A 19 4.535 -1.933 -16.340 1.00 74.12 N ATOM 315 CA LEU A 19 3.269 -1.728 -15.622 1.00 12.33 C ATOM 316 C LEU A 19 3.023 -0.232 -15.348 1.00 33.50 C ATOM 317 O LEU A 19 3.766 0.401 -14.597 1.00 33.44 O ATOM 318 CB LEU A 19 3.300 -2.537 -14.305 1.00 22.34 C ATOM 319 CG LEU A 19 1.965 -2.678 -13.540 1.00 63.55 C ATOM 320 CD1 LEU A 19 2.040 -3.851 -12.562 1.00 23.45 C ATOM 321 CD2 LEU A 19 1.610 -1.390 -12.790 1.00 72.01 C ATOM 0 H LEU A 19 5.293 -1.324 -16.034 1.00 74.12 H new ATOM 0 HA LEU A 19 2.444 -2.080 -16.241 1.00 12.33 H new ATOM 0 HB2 LEU A 19 3.669 -3.538 -14.530 1.00 22.34 H new ATOM 0 HB3 LEU A 19 4.026 -2.072 -13.638 1.00 22.34 H new ATOM 0 HG LEU A 19 1.179 -2.868 -14.271 1.00 63.55 H new ATOM 0 HD11 LEU A 19 1.094 -3.941 -12.028 1.00 23.45 H new ATOM 0 HD12 LEU A 19 2.235 -4.771 -13.112 1.00 23.45 H new ATOM 0 HD13 LEU A 19 2.845 -3.678 -11.847 1.00 23.45 H new ATOM 0 HD21 LEU A 19 0.665 -1.524 -12.263 1.00 72.01 H new ATOM 0 HD22 LEU A 19 2.397 -1.159 -12.072 1.00 72.01 H new ATOM 0 HD23 LEU A 19 1.515 -0.569 -13.501 1.00 72.01 H new ATOM 333 N ALA A 20 1.979 0.324 -15.966 1.00 74.23 N ATOM 334 CA ALA A 20 1.607 1.732 -15.757 1.00 73.44 C ATOM 335 C ALA A 20 0.085 1.929 -15.881 1.00 53.13 C ATOM 336 O ALA A 20 -0.516 1.546 -16.884 1.00 1.13 O ATOM 337 CB ALA A 20 2.344 2.625 -16.751 1.00 33.13 C ATOM 0 H ALA A 20 1.373 -0.177 -16.616 1.00 74.23 H new ATOM 0 HA ALA A 20 1.899 2.014 -14.746 1.00 73.44 H new ATOM 0 HB1 ALA A 20 2.060 3.664 -16.586 1.00 33.13 H new ATOM 0 HB2 ALA A 20 3.419 2.516 -16.610 1.00 33.13 H new ATOM 0 HB3 ALA A 20 2.080 2.334 -17.767 1.00 33.13 H new ATOM 343 N SER A 21 -0.529 2.523 -14.851 1.00 62.00 N ATOM 344 CA SER A 21 -1.996 2.715 -14.794 1.00 11.22 C ATOM 345 C SER A 21 -2.744 1.372 -14.708 1.00 4.13 C ATOM 346 O SER A 21 -3.974 1.318 -14.813 1.00 71.12 O ATOM 347 CB SER A 21 -2.497 3.524 -16.006 1.00 71.33 C ATOM 348 OG SER A 21 -3.896 3.769 -15.929 1.00 1.51 O ATOM 0 H SER A 21 -0.034 2.884 -14.036 1.00 62.00 H new ATOM 0 HA SER A 21 -2.208 3.278 -13.885 1.00 11.22 H new ATOM 0 HB2 SER A 21 -1.963 4.473 -16.057 1.00 71.33 H new ATOM 0 HB3 SER A 21 -2.272 2.982 -16.924 1.00 71.33 H new ATOM 0 HG SER A 21 -4.315 3.093 -15.357 1.00 1.51 H new ATOM 354 N ASP A 22 -1.996 0.296 -14.486 1.00 55.12 N ATOM 355 CA ASP A 22 -2.561 -1.055 -14.421 1.00 44.33 C ATOM 356 C ASP A 22 -2.841 -1.483 -12.967 1.00 25.11 C ATOM 357 O ASP A 22 -3.987 -1.475 -12.514 1.00 35.53 O ATOM 358 CB ASP A 22 -1.599 -2.039 -15.101 1.00 11.23 C ATOM 359 CG ASP A 22 -2.027 -3.488 -14.946 1.00 51.31 C ATOM 360 OD1 ASP A 22 -3.117 -3.849 -15.436 1.00 35.00 O ATOM 361 OD2 ASP A 22 -1.280 -4.272 -14.322 1.00 24.33 O ATOM 0 H ASP A 22 -0.986 0.331 -14.346 1.00 55.12 H new ATOM 0 HA ASP A 22 -3.516 -1.058 -14.946 1.00 44.33 H new ATOM 0 HB2 ASP A 22 -1.530 -1.797 -16.162 1.00 11.23 H new ATOM 0 HB3 ASP A 22 -0.601 -1.913 -14.680 1.00 11.23 H new ATOM 366 N THR A 23 -1.787 -1.856 -12.245 1.00 31.45 N ATOM 367 CA THR A 23 -1.910 -2.283 -10.842 1.00 72.14 C ATOM 368 C THR A 23 -1.632 -1.110 -9.888 1.00 30.41 C ATOM 369 O THR A 23 -0.508 -0.612 -9.805 1.00 2.22 O ATOM 370 CB THR A 23 -0.933 -3.446 -10.534 1.00 3.22 C ATOM 371 OG1 THR A 23 -1.205 -4.560 -11.401 1.00 22.23 O ATOM 372 CG2 THR A 23 -1.041 -3.901 -9.083 1.00 52.44 C ATOM 0 H THR A 23 -0.833 -1.873 -12.604 1.00 31.45 H new ATOM 0 HA THR A 23 -2.932 -2.629 -10.689 1.00 72.14 H new ATOM 0 HB THR A 23 0.079 -3.079 -10.704 1.00 3.22 H new ATOM 0 HG1 THR A 23 -1.093 -4.283 -12.334 1.00 22.23 H new ATOM 0 HG21 THR A 23 -0.341 -4.717 -8.905 1.00 52.44 H new ATOM 0 HG22 THR A 23 -0.803 -3.068 -8.422 1.00 52.44 H new ATOM 0 HG23 THR A 23 -2.056 -4.243 -8.884 1.00 52.44 H new ATOM 380 N ARG A 24 -2.657 -0.685 -9.153 1.00 3.33 N ATOM 381 CA ARG A 24 -2.566 0.518 -8.315 1.00 72.01 C ATOM 382 C ARG A 24 -3.245 0.313 -6.946 1.00 40.45 C ATOM 383 O ARG A 24 -4.145 -0.514 -6.802 1.00 40.21 O ATOM 384 CB ARG A 24 -3.203 1.701 -9.065 1.00 72.35 C ATOM 385 CG ARG A 24 -3.137 3.032 -8.323 1.00 33.03 C ATOM 386 CD ARG A 24 -3.622 4.191 -9.189 1.00 15.20 C ATOM 387 NE ARG A 24 -2.759 4.416 -10.350 1.00 50.54 N ATOM 388 CZ ARG A 24 -2.616 5.571 -10.943 1.00 73.12 C ATOM 389 NH1 ARG A 24 -3.258 6.612 -10.518 1.00 52.12 N ATOM 390 NH2 ARG A 24 -1.821 5.683 -11.956 1.00 13.41 N ATOM 0 H ARG A 24 -3.563 -1.153 -9.118 1.00 3.33 H new ATOM 0 HA ARG A 24 -1.514 0.728 -8.120 1.00 72.01 H new ATOM 0 HB2 ARG A 24 -2.707 1.812 -10.029 1.00 72.35 H new ATOM 0 HB3 ARG A 24 -4.247 1.465 -9.269 1.00 72.35 H new ATOM 0 HG2 ARG A 24 -3.745 2.975 -7.420 1.00 33.03 H new ATOM 0 HG3 ARG A 24 -2.111 3.220 -8.006 1.00 33.03 H new ATOM 0 HD2 ARG A 24 -4.638 3.988 -9.528 1.00 15.20 H new ATOM 0 HD3 ARG A 24 -3.662 5.099 -8.587 1.00 15.20 H new ATOM 0 HE ARG A 24 -2.237 3.621 -10.719 1.00 50.54 H new ATOM 0 HH11 ARG A 24 -3.881 6.534 -9.714 1.00 52.12 H new ATOM 0 HH12 ARG A 24 -3.141 7.510 -10.987 1.00 52.12 H new ATOM 0 HH21 ARG A 24 -1.306 4.870 -12.292 1.00 13.41 H new ATOM 0 HH22 ARG A 24 -1.709 6.585 -12.419 1.00 13.41 H new ATOM 404 N ILE A 25 -2.803 1.080 -5.948 1.00 42.34 N ATOM 405 CA ILE A 25 -3.310 0.955 -4.576 1.00 1.31 C ATOM 406 C ILE A 25 -3.402 2.325 -3.878 1.00 13.43 C ATOM 407 O ILE A 25 -2.514 3.168 -4.012 1.00 5.20 O ATOM 408 CB ILE A 25 -2.402 0.013 -3.737 1.00 14.10 C ATOM 409 CG1 ILE A 25 -2.944 -0.150 -2.307 1.00 73.14 C ATOM 410 CG2 ILE A 25 -0.964 0.532 -3.713 1.00 52.31 C ATOM 411 CD1 ILE A 25 -2.187 -1.163 -1.473 1.00 13.33 C ATOM 0 H ILE A 25 -2.090 1.800 -6.064 1.00 42.34 H new ATOM 0 HA ILE A 25 -4.312 0.531 -4.643 1.00 1.31 H new ATOM 0 HB ILE A 25 -2.407 -0.968 -4.211 1.00 14.10 H new ATOM 0 HG12 ILE A 25 -2.911 0.817 -1.804 1.00 73.14 H new ATOM 0 HG13 ILE A 25 -3.992 -0.447 -2.358 1.00 73.14 H new ATOM 0 HG21 ILE A 25 -0.344 -0.141 -3.121 1.00 52.31 H new ATOM 0 HG22 ILE A 25 -0.577 0.580 -4.731 1.00 52.31 H new ATOM 0 HG23 ILE A 25 -0.944 1.528 -3.270 1.00 52.31 H new ATOM 0 HD11 ILE A 25 -2.630 -1.220 -0.479 1.00 13.33 H new ATOM 0 HD12 ILE A 25 -2.241 -2.141 -1.951 1.00 13.33 H new ATOM 0 HD13 ILE A 25 -1.144 -0.858 -1.389 1.00 13.33 H new ATOM 423 N ASN A 26 -4.486 2.543 -3.140 1.00 12.21 N ATOM 424 CA ASN A 26 -4.655 3.766 -2.352 1.00 1.33 C ATOM 425 C ASN A 26 -4.088 3.566 -0.939 1.00 23.45 C ATOM 426 O ASN A 26 -4.606 2.771 -0.146 1.00 23.12 O ATOM 427 CB ASN A 26 -6.135 4.171 -2.309 1.00 71.44 C ATOM 428 CG ASN A 26 -6.657 4.553 -3.686 1.00 54.42 C ATOM 429 OD1 ASN A 26 -6.166 4.082 -4.704 1.00 23.01 O ATOM 430 ND2 ASN A 26 -7.657 5.404 -3.731 1.00 33.42 N ATOM 0 H ASN A 26 -5.265 1.888 -3.069 1.00 12.21 H new ATOM 0 HA ASN A 26 -4.101 4.576 -2.826 1.00 1.33 H new ATOM 0 HB2 ASN A 26 -6.726 3.346 -1.912 1.00 71.44 H new ATOM 0 HB3 ASN A 26 -6.262 5.011 -1.626 1.00 71.44 H new ATOM 0 HD21 ASN A 26 -8.044 5.689 -4.631 1.00 33.42 H new ATOM 0 HD22 ASN A 26 -8.046 5.780 -2.866 1.00 33.42 H new ATOM 437 N VAL A 27 -3.007 4.283 -0.640 1.00 64.24 N ATOM 438 CA VAL A 27 -2.219 4.049 0.574 1.00 75.40 C ATOM 439 C VAL A 27 -2.432 5.141 1.639 1.00 42.53 C ATOM 440 O VAL A 27 -2.594 6.318 1.322 1.00 33.52 O ATOM 441 CB VAL A 27 -0.712 3.978 0.221 1.00 1.22 C ATOM 442 CG1 VAL A 27 0.115 3.565 1.431 1.00 15.24 C ATOM 443 CG2 VAL A 27 -0.474 3.027 -0.950 1.00 40.31 C ATOM 0 H VAL A 27 -2.652 5.038 -1.226 1.00 64.24 H new ATOM 0 HA VAL A 27 -2.560 3.103 0.993 1.00 75.40 H new ATOM 0 HB VAL A 27 -0.390 4.975 -0.080 1.00 1.22 H new ATOM 0 HG11 VAL A 27 1.169 3.523 1.155 1.00 15.24 H new ATOM 0 HG12 VAL A 27 -0.022 4.293 2.231 1.00 15.24 H new ATOM 0 HG13 VAL A 27 -0.209 2.583 1.775 1.00 15.24 H new ATOM 0 HG21 VAL A 27 0.591 2.993 -1.180 1.00 40.31 H new ATOM 0 HG22 VAL A 27 -0.820 2.028 -0.684 1.00 40.31 H new ATOM 0 HG23 VAL A 27 -1.023 3.380 -1.823 1.00 40.31 H new ATOM 453 N VAL A 28 -2.423 4.736 2.907 1.00 60.31 N ATOM 454 CA VAL A 28 -2.546 5.668 4.031 1.00 41.44 C ATOM 455 C VAL A 28 -1.188 5.878 4.727 1.00 42.33 C ATOM 456 O VAL A 28 -0.497 4.917 5.070 1.00 60.24 O ATOM 457 CB VAL A 28 -3.572 5.156 5.073 1.00 43.23 C ATOM 458 CG1 VAL A 28 -3.808 6.202 6.159 1.00 11.31 C ATOM 459 CG2 VAL A 28 -4.885 4.771 4.399 1.00 31.01 C ATOM 0 H VAL A 28 -2.331 3.759 3.186 1.00 60.31 H new ATOM 0 HA VAL A 28 -2.893 6.617 3.622 1.00 41.44 H new ATOM 0 HB VAL A 28 -3.159 4.264 5.544 1.00 43.23 H new ATOM 0 HG11 VAL A 28 -4.532 5.821 6.880 1.00 11.31 H new ATOM 0 HG12 VAL A 28 -2.868 6.417 6.667 1.00 11.31 H new ATOM 0 HG13 VAL A 28 -4.193 7.116 5.706 1.00 11.31 H new ATOM 0 HG21 VAL A 28 -5.589 4.415 5.151 1.00 31.01 H new ATOM 0 HG22 VAL A 28 -5.303 5.641 3.894 1.00 31.01 H new ATOM 0 HG23 VAL A 28 -4.702 3.981 3.670 1.00 31.01 H new ATOM 469 N ASP A 29 -0.816 7.136 4.929 1.00 10.04 N ATOM 470 CA ASP A 29 0.446 7.485 5.589 1.00 11.13 C ATOM 471 C ASP A 29 0.286 7.477 7.128 1.00 22.01 C ATOM 472 O ASP A 29 -0.564 8.189 7.674 1.00 40.14 O ATOM 473 CB ASP A 29 0.897 8.867 5.098 1.00 3.40 C ATOM 474 CG ASP A 29 2.294 9.239 5.559 1.00 4.43 C ATOM 475 OD1 ASP A 29 2.473 9.515 6.758 1.00 4.43 O ATOM 476 OD2 ASP A 29 3.209 9.294 4.716 1.00 71.34 O ATOM 0 H ASP A 29 -1.373 7.942 4.644 1.00 10.04 H new ATOM 0 HA ASP A 29 1.203 6.743 5.335 1.00 11.13 H new ATOM 0 HB2 ASP A 29 0.864 8.887 4.009 1.00 3.40 H new ATOM 0 HB3 ASP A 29 0.192 9.619 5.452 1.00 3.40 H new ATOM 481 N PRO A 30 1.094 6.674 7.850 1.00 72.22 N ATOM 482 CA PRO A 30 0.985 6.540 9.316 1.00 12.15 C ATOM 483 C PRO A 30 1.638 7.692 10.109 1.00 33.21 C ATOM 484 O PRO A 30 1.350 7.878 11.293 1.00 20.22 O ATOM 485 CB PRO A 30 1.716 5.220 9.584 1.00 13.52 C ATOM 486 CG PRO A 30 2.765 5.160 8.525 1.00 64.21 C ATOM 487 CD PRO A 30 2.163 5.811 7.298 1.00 35.42 C ATOM 0 HA PRO A 30 -0.055 6.566 9.641 1.00 12.15 H new ATOM 0 HB2 PRO A 30 2.156 5.204 10.581 1.00 13.52 H new ATOM 0 HB3 PRO A 30 1.038 4.369 9.521 1.00 13.52 H new ATOM 0 HG2 PRO A 30 3.667 5.684 8.841 1.00 64.21 H new ATOM 0 HG3 PRO A 30 3.051 4.129 8.318 1.00 64.21 H new ATOM 0 HD2 PRO A 30 2.904 6.392 6.749 1.00 35.42 H new ATOM 0 HD3 PRO A 30 1.763 5.070 6.607 1.00 35.42 H new ATOM 495 N GLU A 31 2.503 8.463 9.457 1.00 11.13 N ATOM 496 CA GLU A 31 3.244 9.540 10.129 1.00 44.34 C ATOM 497 C GLU A 31 2.458 10.860 10.115 1.00 63.41 C ATOM 498 O GLU A 31 2.377 11.568 11.122 1.00 61.34 O ATOM 499 CB GLU A 31 4.599 9.741 9.435 1.00 2.43 C ATOM 500 CG GLU A 31 5.436 8.470 9.313 1.00 13.04 C ATOM 501 CD GLU A 31 5.985 7.985 10.646 1.00 23.22 C ATOM 502 OE1 GLU A 31 5.279 7.242 11.358 1.00 12.00 O ATOM 503 OE2 GLU A 31 7.137 8.337 10.980 1.00 20.21 O ATOM 0 H GLU A 31 2.712 8.367 8.463 1.00 11.13 H new ATOM 0 HA GLU A 31 3.395 9.249 11.168 1.00 44.34 H new ATOM 0 HB2 GLU A 31 4.427 10.146 8.438 1.00 2.43 H new ATOM 0 HB3 GLU A 31 5.170 10.487 9.988 1.00 2.43 H new ATOM 0 HG2 GLU A 31 4.827 7.682 8.870 1.00 13.04 H new ATOM 0 HG3 GLU A 31 6.266 8.653 8.630 1.00 13.04 H new ATOM 510 N THR A 32 1.876 11.175 8.966 1.00 53.22 N ATOM 511 CA THR A 32 1.156 12.438 8.756 1.00 1.24 C ATOM 512 C THR A 32 -0.364 12.239 8.739 1.00 54.24 C ATOM 513 O THR A 32 -1.122 13.128 9.130 1.00 1.13 O ATOM 514 CB THR A 32 1.578 13.086 7.420 1.00 21.51 C ATOM 515 OG1 THR A 32 1.371 12.155 6.345 1.00 64.21 O ATOM 516 CG2 THR A 32 3.044 13.507 7.453 1.00 3.34 C ATOM 0 H THR A 32 1.886 10.566 8.148 1.00 53.22 H new ATOM 0 HA THR A 32 1.416 13.087 9.592 1.00 1.24 H new ATOM 0 HB THR A 32 0.967 13.975 7.264 1.00 21.51 H new ATOM 0 HG1 THR A 32 1.872 11.332 6.524 1.00 64.21 H new ATOM 0 HG21 THR A 32 3.314 13.960 6.499 1.00 3.34 H new ATOM 0 HG22 THR A 32 3.197 14.230 8.254 1.00 3.34 H new ATOM 0 HG23 THR A 32 3.670 12.632 7.629 1.00 3.34 H new ATOM 524 N GLY A 33 -0.805 11.073 8.274 1.00 22.25 N ATOM 525 CA GLY A 33 -2.235 10.786 8.196 1.00 52.53 C ATOM 526 C GLY A 33 -2.854 11.123 6.840 1.00 60.41 C ATOM 527 O GLY A 33 -4.078 11.169 6.707 1.00 24.22 O ATOM 0 H GLY A 33 -0.200 10.319 7.949 1.00 22.25 H new ATOM 0 HA2 GLY A 33 -2.397 9.729 8.407 1.00 52.53 H new ATOM 0 HA3 GLY A 33 -2.753 11.349 8.972 1.00 52.53 H new ATOM 531 N LYS A 34 -2.013 11.370 5.835 1.00 42.41 N ATOM 532 CA LYS A 34 -2.493 11.673 4.479 1.00 72.51 C ATOM 533 C LYS A 34 -2.731 10.387 3.669 1.00 34.25 C ATOM 534 O LYS A 34 -1.989 9.412 3.799 1.00 42.34 O ATOM 535 CB LYS A 34 -1.488 12.577 3.742 1.00 54.14 C ATOM 536 CG LYS A 34 -0.140 11.914 3.443 1.00 63.43 C ATOM 537 CD LYS A 34 0.794 12.848 2.674 1.00 3.43 C ATOM 538 CE LYS A 34 2.062 12.133 2.208 1.00 64.10 C ATOM 539 NZ LYS A 34 2.893 11.639 3.340 1.00 32.21 N ATOM 0 H LYS A 34 -0.997 11.367 5.930 1.00 42.41 H new ATOM 0 HA LYS A 34 -3.444 12.198 4.574 1.00 72.51 H new ATOM 0 HB2 LYS A 34 -1.934 12.905 2.803 1.00 54.14 H new ATOM 0 HB3 LYS A 34 -1.314 13.471 4.342 1.00 54.14 H new ATOM 0 HG2 LYS A 34 0.334 11.616 4.378 1.00 63.43 H new ATOM 0 HG3 LYS A 34 -0.303 11.005 2.864 1.00 63.43 H new ATOM 0 HD2 LYS A 34 0.269 13.255 1.810 1.00 3.43 H new ATOM 0 HD3 LYS A 34 1.066 13.692 3.308 1.00 3.43 H new ATOM 0 HE2 LYS A 34 1.787 11.292 1.571 1.00 64.10 H new ATOM 0 HE3 LYS A 34 2.655 12.814 1.598 1.00 64.10 H new ATOM 0 HZ1 LYS A 34 3.899 11.795 3.126 1.00 32.21 H new ATOM 0 HZ2 LYS A 34 2.640 12.154 4.207 1.00 32.21 H new ATOM 0 HZ3 LYS A 34 2.722 10.623 3.479 1.00 32.21 H new ATOM 553 N VAL A 35 -3.772 10.382 2.840 1.00 31.12 N ATOM 554 CA VAL A 35 -4.056 9.238 1.962 1.00 34.52 C ATOM 555 C VAL A 35 -3.443 9.458 0.569 1.00 65.41 C ATOM 556 O VAL A 35 -3.964 10.230 -0.242 1.00 41.25 O ATOM 557 CB VAL A 35 -5.580 8.986 1.827 1.00 1.25 C ATOM 558 CG1 VAL A 35 -5.858 7.785 0.920 1.00 31.13 C ATOM 559 CG2 VAL A 35 -6.217 8.788 3.203 1.00 44.41 C ATOM 0 H VAL A 35 -4.434 11.153 2.754 1.00 31.12 H new ATOM 0 HA VAL A 35 -3.603 8.359 2.420 1.00 34.52 H new ATOM 0 HB VAL A 35 -6.030 9.865 1.366 1.00 1.25 H new ATOM 0 HG11 VAL A 35 -6.934 7.629 0.842 1.00 31.13 H new ATOM 0 HG12 VAL A 35 -5.446 7.974 -0.071 1.00 31.13 H new ATOM 0 HG13 VAL A 35 -5.392 6.895 1.342 1.00 31.13 H new ATOM 0 HG21 VAL A 35 -7.287 8.613 3.087 1.00 44.41 H new ATOM 0 HG22 VAL A 35 -5.760 7.930 3.696 1.00 44.41 H new ATOM 0 HG23 VAL A 35 -6.059 9.680 3.809 1.00 44.41 H new ATOM 569 N GLU A 36 -2.331 8.787 0.299 1.00 15.41 N ATOM 570 CA GLU A 36 -1.608 8.955 -0.963 1.00 53.32 C ATOM 571 C GLU A 36 -1.760 7.721 -1.863 1.00 20.41 C ATOM 572 O GLU A 36 -1.643 6.586 -1.405 1.00 24.23 O ATOM 573 CB GLU A 36 -0.122 9.220 -0.689 1.00 73.41 C ATOM 574 CG GLU A 36 0.682 9.590 -1.933 1.00 71.22 C ATOM 575 CD GLU A 36 0.273 10.932 -2.521 1.00 12.22 C ATOM 576 OE1 GLU A 36 -0.768 11.002 -3.209 1.00 51.54 O ATOM 577 OE2 GLU A 36 0.985 11.930 -2.287 1.00 21.41 O ATOM 0 H GLU A 36 -1.905 8.117 0.939 1.00 15.41 H new ATOM 0 HA GLU A 36 -2.039 9.810 -1.484 1.00 53.32 H new ATOM 0 HB2 GLU A 36 -0.035 10.026 0.040 1.00 73.41 H new ATOM 0 HB3 GLU A 36 0.318 8.331 -0.236 1.00 73.41 H new ATOM 0 HG2 GLU A 36 1.742 9.617 -1.680 1.00 71.22 H new ATOM 0 HG3 GLU A 36 0.554 8.814 -2.687 1.00 71.22 H new ATOM 584 N ILE A 37 -2.010 7.948 -3.147 1.00 73.34 N ATOM 585 CA ILE A 37 -2.205 6.850 -4.098 1.00 24.25 C ATOM 586 C ILE A 37 -0.875 6.432 -4.746 1.00 31.13 C ATOM 587 O ILE A 37 -0.137 7.268 -5.270 1.00 22.34 O ATOM 588 CB ILE A 37 -3.219 7.240 -5.202 1.00 63.32 C ATOM 589 CG1 ILE A 37 -4.556 7.674 -4.572 1.00 53.52 C ATOM 590 CG2 ILE A 37 -3.437 6.079 -6.172 1.00 3.03 C ATOM 591 CD1 ILE A 37 -5.618 8.048 -5.586 1.00 14.10 C ATOM 0 H ILE A 37 -2.083 8.879 -3.557 1.00 73.34 H new ATOM 0 HA ILE A 37 -2.603 6.005 -3.536 1.00 24.25 H new ATOM 0 HB ILE A 37 -2.809 8.080 -5.763 1.00 63.32 H new ATOM 0 HG12 ILE A 37 -4.933 6.864 -3.948 1.00 53.52 H new ATOM 0 HG13 ILE A 37 -4.378 8.526 -3.916 1.00 53.52 H new ATOM 0 HG21 ILE A 37 -4.153 6.375 -6.939 1.00 3.03 H new ATOM 0 HG22 ILE A 37 -2.490 5.815 -6.642 1.00 3.03 H new ATOM 0 HG23 ILE A 37 -3.824 5.218 -5.628 1.00 3.03 H new ATOM 0 HD11 ILE A 37 -6.530 8.342 -5.066 1.00 14.10 H new ATOM 0 HD12 ILE A 37 -5.263 8.879 -6.195 1.00 14.10 H new ATOM 0 HD13 ILE A 37 -5.826 7.192 -6.227 1.00 14.10 H new ATOM 603 N ALA A 38 -0.583 5.134 -4.716 1.00 21.13 N ATOM 604 CA ALA A 38 0.664 4.594 -5.274 1.00 12.51 C ATOM 605 C ALA A 38 0.395 3.455 -6.269 1.00 35.32 C ATOM 606 O ALA A 38 -0.665 2.836 -6.247 1.00 32.22 O ATOM 607 CB ALA A 38 1.561 4.098 -4.146 1.00 45.15 C ATOM 0 H ALA A 38 -1.196 4.428 -4.309 1.00 21.13 H new ATOM 0 HA ALA A 38 1.164 5.397 -5.816 1.00 12.51 H new ATOM 0 HB1 ALA A 38 2.485 3.698 -4.565 1.00 45.15 H new ATOM 0 HB2 ALA A 38 1.794 4.926 -3.476 1.00 45.15 H new ATOM 0 HB3 ALA A 38 1.046 3.315 -3.589 1.00 45.15 H new ATOM 613 N GLU A 39 1.361 3.178 -7.142 1.00 53.34 N ATOM 614 CA GLU A 39 1.238 2.069 -8.095 1.00 24.30 C ATOM 615 C GLU A 39 2.161 0.907 -7.700 1.00 73.43 C ATOM 616 O GLU A 39 3.298 1.120 -7.269 1.00 1.20 O ATOM 617 CB GLU A 39 1.542 2.543 -9.523 1.00 42.45 C ATOM 618 CG GLU A 39 0.617 3.663 -9.989 1.00 31.44 C ATOM 619 CD GLU A 39 0.693 3.922 -11.486 1.00 22.11 C ATOM 620 OE1 GLU A 39 1.630 4.612 -11.938 1.00 21.20 O ATOM 621 OE2 GLU A 39 -0.205 3.454 -12.217 1.00 45.43 O ATOM 0 H GLU A 39 2.234 3.701 -7.212 1.00 53.34 H new ATOM 0 HA GLU A 39 0.209 1.710 -8.067 1.00 24.30 H new ATOM 0 HB2 GLU A 39 2.575 2.888 -9.573 1.00 42.45 H new ATOM 0 HB3 GLU A 39 1.454 1.699 -10.207 1.00 42.45 H new ATOM 0 HG2 GLU A 39 -0.410 3.412 -9.722 1.00 31.44 H new ATOM 0 HG3 GLU A 39 0.870 4.579 -9.455 1.00 31.44 H new ATOM 628 N ILE A 40 1.665 -0.320 -7.846 1.00 64.25 N ATOM 629 CA ILE A 40 2.373 -1.509 -7.357 1.00 45.54 C ATOM 630 C ILE A 40 3.263 -2.148 -8.435 1.00 2.43 C ATOM 631 O ILE A 40 2.781 -2.627 -9.459 1.00 21.04 O ATOM 632 CB ILE A 40 1.375 -2.571 -6.836 1.00 73.53 C ATOM 633 CG1 ILE A 40 0.450 -1.959 -5.770 1.00 34.25 C ATOM 634 CG2 ILE A 40 2.116 -3.785 -6.277 1.00 33.10 C ATOM 635 CD1 ILE A 40 -0.605 -2.911 -5.241 1.00 42.42 C ATOM 0 H ILE A 40 0.774 -0.521 -8.300 1.00 64.25 H new ATOM 0 HA ILE A 40 3.013 -1.169 -6.543 1.00 45.54 H new ATOM 0 HB ILE A 40 0.763 -2.907 -7.673 1.00 73.53 H new ATOM 0 HG12 ILE A 40 1.058 -1.608 -4.936 1.00 34.25 H new ATOM 0 HG13 ILE A 40 -0.045 -1.085 -6.193 1.00 34.25 H new ATOM 0 HG21 ILE A 40 1.394 -4.518 -5.917 1.00 33.10 H new ATOM 0 HG22 ILE A 40 2.726 -4.232 -7.062 1.00 33.10 H new ATOM 0 HG23 ILE A 40 2.757 -3.472 -5.453 1.00 33.10 H new ATOM 0 HD11 ILE A 40 -1.214 -2.401 -4.495 1.00 42.42 H new ATOM 0 HD12 ILE A 40 -1.240 -3.243 -6.062 1.00 42.42 H new ATOM 0 HD13 ILE A 40 -0.120 -3.774 -4.785 1.00 42.42 H new ATOM 647 N ARG A 41 4.568 -2.146 -8.180 1.00 71.25 N ATOM 648 CA ARG A 41 5.548 -2.777 -9.069 1.00 4.24 C ATOM 649 C ARG A 41 5.652 -4.294 -8.815 1.00 11.24 C ATOM 650 O ARG A 41 5.529 -5.101 -9.738 1.00 60.03 O ATOM 651 CB ARG A 41 6.915 -2.113 -8.860 1.00 34.21 C ATOM 652 CG ARG A 41 6.979 -0.666 -9.347 1.00 42.44 C ATOM 653 CD ARG A 41 8.059 0.137 -8.623 1.00 15.33 C ATOM 654 NE ARG A 41 9.299 -0.623 -8.438 1.00 63.32 N ATOM 655 CZ ARG A 41 10.496 -0.155 -8.667 1.00 41.43 C ATOM 656 NH1 ARG A 41 10.659 1.016 -9.197 1.00 14.42 N ATOM 657 NH2 ARG A 41 11.535 -0.870 -8.374 1.00 22.22 N ATOM 0 H ARG A 41 4.979 -1.709 -7.355 1.00 71.25 H new ATOM 0 HA ARG A 41 5.219 -2.640 -10.099 1.00 4.24 H new ATOM 0 HB2 ARG A 41 7.163 -2.141 -7.799 1.00 34.21 H new ATOM 0 HB3 ARG A 41 7.675 -2.696 -9.381 1.00 34.21 H new ATOM 0 HG2 ARG A 41 7.176 -0.653 -10.419 1.00 42.44 H new ATOM 0 HG3 ARG A 41 6.010 -0.190 -9.195 1.00 42.44 H new ATOM 0 HD2 ARG A 41 8.274 1.043 -9.190 1.00 15.33 H new ATOM 0 HD3 ARG A 41 7.682 0.452 -7.650 1.00 15.33 H new ATOM 0 HE ARG A 41 9.221 -1.585 -8.107 1.00 63.32 H new ATOM 0 HH11 ARG A 41 9.847 1.583 -9.440 1.00 14.42 H new ATOM 0 HH12 ARG A 41 11.599 1.371 -9.371 1.00 14.42 H new ATOM 0 HH21 ARG A 41 11.417 -1.797 -7.965 1.00 22.22 H new ATOM 0 HH22 ARG A 41 12.471 -0.506 -8.552 1.00 22.22 H new ATOM 671 N ASN A 42 5.887 -4.671 -7.556 1.00 54.14 N ATOM 672 CA ASN A 42 5.972 -6.087 -7.163 1.00 74.12 C ATOM 673 C ASN A 42 4.855 -6.456 -6.178 1.00 73.11 C ATOM 674 O ASN A 42 4.736 -5.857 -5.108 1.00 3.42 O ATOM 675 CB ASN A 42 7.341 -6.396 -6.535 1.00 5.22 C ATOM 676 CG ASN A 42 8.471 -6.353 -7.543 1.00 34.21 C ATOM 677 OD1 ASN A 42 8.293 -6.692 -8.708 1.00 62.22 O ATOM 678 ND2 ASN A 42 9.643 -5.932 -7.113 1.00 4.43 N ATOM 0 H ASN A 42 6.023 -4.016 -6.786 1.00 54.14 H new ATOM 0 HA ASN A 42 5.852 -6.686 -8.065 1.00 74.12 H new ATOM 0 HB2 ASN A 42 7.542 -5.678 -5.740 1.00 5.22 H new ATOM 0 HB3 ASN A 42 7.310 -7.383 -6.073 1.00 5.22 H new ATOM 0 HD21 ASN A 42 10.434 -5.881 -7.755 1.00 4.43 H new ATOM 0 HD22 ASN A 42 9.760 -5.657 -6.138 1.00 4.43 H new ATOM 685 N VAL A 43 4.051 -7.454 -6.539 1.00 21.04 N ATOM 686 CA VAL A 43 2.926 -7.899 -5.702 1.00 71.11 C ATOM 687 C VAL A 43 3.354 -8.968 -4.675 1.00 25.23 C ATOM 688 O VAL A 43 2.523 -9.714 -4.158 1.00 11.22 O ATOM 689 CB VAL A 43 1.782 -8.463 -6.582 1.00 1.23 C ATOM 690 CG1 VAL A 43 1.248 -7.389 -7.533 1.00 32.44 C ATOM 691 CG2 VAL A 43 2.252 -9.694 -7.363 1.00 54.04 C ATOM 0 H VAL A 43 4.154 -7.976 -7.409 1.00 21.04 H new ATOM 0 HA VAL A 43 2.574 -7.024 -5.156 1.00 71.11 H new ATOM 0 HB VAL A 43 0.969 -8.769 -5.924 1.00 1.23 H new ATOM 0 HG11 VAL A 43 0.446 -7.808 -8.141 1.00 32.44 H new ATOM 0 HG12 VAL A 43 0.864 -6.549 -6.954 1.00 32.44 H new ATOM 0 HG13 VAL A 43 2.053 -7.045 -8.182 1.00 32.44 H new ATOM 0 HG21 VAL A 43 1.432 -10.072 -7.974 1.00 54.04 H new ATOM 0 HG22 VAL A 43 3.087 -9.419 -8.007 1.00 54.04 H new ATOM 0 HG23 VAL A 43 2.572 -10.468 -6.665 1.00 54.04 H new ATOM 701 N VAL A 44 4.647 -9.011 -4.363 1.00 4.23 N ATOM 702 CA VAL A 44 5.199 -10.033 -3.463 1.00 74.14 C ATOM 703 C VAL A 44 5.911 -9.410 -2.251 1.00 24.53 C ATOM 704 O VAL A 44 6.629 -8.416 -2.376 1.00 4.41 O ATOM 705 CB VAL A 44 6.184 -10.962 -4.221 1.00 21.12 C ATOM 706 CG1 VAL A 44 7.345 -10.165 -4.820 1.00 24.32 C ATOM 707 CG2 VAL A 44 6.699 -12.076 -3.308 1.00 43.35 C ATOM 0 H VAL A 44 5.338 -8.350 -4.719 1.00 4.23 H new ATOM 0 HA VAL A 44 4.356 -10.619 -3.098 1.00 74.14 H new ATOM 0 HB VAL A 44 5.638 -11.425 -5.043 1.00 21.12 H new ATOM 0 HG11 VAL A 44 8.019 -10.842 -5.345 1.00 24.32 H new ATOM 0 HG12 VAL A 44 6.956 -9.426 -5.520 1.00 24.32 H new ATOM 0 HG13 VAL A 44 7.889 -9.659 -4.022 1.00 24.32 H new ATOM 0 HG21 VAL A 44 7.387 -12.713 -3.864 1.00 43.35 H new ATOM 0 HG22 VAL A 44 7.218 -11.637 -2.456 1.00 43.35 H new ATOM 0 HG23 VAL A 44 5.859 -12.673 -2.953 1.00 43.35 H new ATOM 717 N GLU A 45 5.706 -10.009 -1.076 1.00 61.32 N ATOM 718 CA GLU A 45 6.337 -9.541 0.165 1.00 10.52 C ATOM 719 C GLU A 45 7.754 -10.128 0.348 1.00 10.00 C ATOM 720 O GLU A 45 8.272 -10.828 -0.529 1.00 11.22 O ATOM 721 CB GLU A 45 5.444 -9.883 1.368 1.00 2.12 C ATOM 722 CG GLU A 45 5.060 -11.358 1.472 1.00 30.32 C ATOM 723 CD GLU A 45 4.168 -11.646 2.671 1.00 13.45 C ATOM 724 OE1 GLU A 45 2.936 -11.482 2.557 1.00 2.30 O ATOM 725 OE2 GLU A 45 4.698 -12.029 3.737 1.00 2.11 O ATOM 0 H GLU A 45 5.105 -10.824 -0.955 1.00 61.32 H new ATOM 0 HA GLU A 45 6.447 -8.459 0.099 1.00 10.52 H new ATOM 0 HB2 GLU A 45 5.960 -9.589 2.282 1.00 2.12 H new ATOM 0 HB3 GLU A 45 4.533 -9.287 1.310 1.00 2.12 H new ATOM 0 HG2 GLU A 45 4.546 -11.661 0.560 1.00 30.32 H new ATOM 0 HG3 GLU A 45 5.965 -11.961 1.543 1.00 30.32 H new ATOM 732 N ASN A 46 8.380 -9.862 1.499 1.00 41.34 N ATOM 733 CA ASN A 46 9.791 -10.226 1.711 1.00 63.34 C ATOM 734 C ASN A 46 9.953 -11.646 2.292 1.00 22.43 C ATOM 735 O ASN A 46 10.384 -11.831 3.431 1.00 31.22 O ATOM 736 CB ASN A 46 10.484 -9.173 2.600 1.00 73.33 C ATOM 737 CG ASN A 46 9.761 -8.933 3.918 1.00 31.23 C ATOM 738 OD1 ASN A 46 10.060 -9.555 4.931 1.00 50.20 O ATOM 739 ND2 ASN A 46 8.808 -8.023 3.919 1.00 11.52 N ATOM 0 H ASN A 46 7.939 -9.400 2.294 1.00 41.34 H new ATOM 0 HA ASN A 46 10.278 -10.237 0.736 1.00 63.34 H new ATOM 0 HB2 ASN A 46 11.505 -9.496 2.806 1.00 73.33 H new ATOM 0 HB3 ASN A 46 10.551 -8.232 2.053 1.00 73.33 H new ATOM 0 HD21 ASN A 46 8.297 -7.820 4.778 1.00 11.52 H new ATOM 0 HD22 ASN A 46 8.581 -7.521 3.060 1.00 11.52 H new ATOM 746 N THR A 47 9.605 -12.654 1.489 1.00 70.43 N ATOM 747 CA THR A 47 9.778 -14.059 1.888 1.00 12.44 C ATOM 748 C THR A 47 11.213 -14.538 1.616 1.00 42.51 C ATOM 749 O THR A 47 11.623 -14.666 0.462 1.00 31.10 O ATOM 750 CB THR A 47 8.783 -14.995 1.146 1.00 12.21 C ATOM 751 OG1 THR A 47 9.016 -14.971 -0.276 1.00 25.11 O ATOM 752 CG2 THR A 47 7.341 -14.587 1.422 1.00 12.12 C ATOM 0 H THR A 47 9.202 -12.528 0.560 1.00 70.43 H new ATOM 0 HA THR A 47 9.575 -14.107 2.958 1.00 12.44 H new ATOM 0 HB THR A 47 8.948 -16.005 1.520 1.00 12.21 H new ATOM 0 HG1 THR A 47 9.976 -14.874 -0.449 1.00 25.11 H new ATOM 0 HG21 THR A 47 6.665 -15.258 0.891 1.00 12.12 H new ATOM 0 HG22 THR A 47 7.145 -14.646 2.493 1.00 12.12 H new ATOM 0 HG23 THR A 47 7.180 -13.565 1.080 1.00 12.12 H new ATOM 760 N ALA A 48 11.979 -14.785 2.681 1.00 50.20 N ATOM 761 CA ALA A 48 13.379 -15.218 2.550 1.00 53.13 C ATOM 762 C ALA A 48 13.498 -16.568 1.820 1.00 64.22 C ATOM 763 O ALA A 48 14.244 -16.695 0.845 1.00 71.11 O ATOM 764 CB ALA A 48 14.037 -15.295 3.923 1.00 65.12 C ATOM 0 H ALA A 48 11.657 -14.694 3.645 1.00 50.20 H new ATOM 0 HA ALA A 48 13.898 -14.475 1.945 1.00 53.13 H new ATOM 0 HB1 ALA A 48 15.073 -15.617 3.813 1.00 65.12 H new ATOM 0 HB2 ALA A 48 14.010 -14.313 4.395 1.00 65.12 H new ATOM 0 HB3 ALA A 48 13.499 -16.011 4.545 1.00 65.12 H new ATOM 770 N ASN A 49 12.782 -17.577 2.315 1.00 44.10 N ATOM 771 CA ASN A 49 12.673 -18.872 1.629 1.00 42.14 C ATOM 772 C ASN A 49 11.227 -19.103 1.152 1.00 15.51 C ATOM 773 O ASN A 49 10.379 -19.576 1.911 1.00 60.22 O ATOM 774 CB ASN A 49 13.121 -20.016 2.551 1.00 3.51 C ATOM 775 CG ASN A 49 14.604 -19.948 2.878 1.00 33.33 C ATOM 776 OD1 ASN A 49 15.011 -19.340 3.860 1.00 22.14 O ATOM 777 ND2 ASN A 49 15.422 -20.565 2.050 1.00 50.54 N ATOM 0 H ASN A 49 12.265 -17.526 3.193 1.00 44.10 H new ATOM 0 HA ASN A 49 13.331 -18.856 0.760 1.00 42.14 H new ATOM 0 HB2 ASN A 49 12.546 -19.980 3.476 1.00 3.51 H new ATOM 0 HB3 ASN A 49 12.900 -20.971 2.075 1.00 3.51 H new ATOM 0 HD21 ASN A 49 16.428 -20.545 2.218 1.00 50.54 H new ATOM 0 HD22 ASN A 49 15.049 -21.062 1.241 1.00 50.54 H new ATOM 784 N PRO A 50 10.921 -18.743 -0.109 1.00 53.45 N ATOM 785 CA PRO A 50 9.554 -18.829 -0.652 1.00 71.04 C ATOM 786 C PRO A 50 9.119 -20.260 -1.021 1.00 3.42 C ATOM 787 O PRO A 50 9.950 -21.134 -1.275 1.00 51.25 O ATOM 788 CB PRO A 50 9.637 -17.953 -1.907 1.00 65.13 C ATOM 789 CG PRO A 50 11.052 -18.083 -2.360 1.00 1.51 C ATOM 790 CD PRO A 50 11.881 -18.221 -1.107 1.00 51.51 C ATOM 0 HA PRO A 50 8.811 -18.512 0.080 1.00 71.04 H new ATOM 0 HB2 PRO A 50 8.942 -18.292 -2.675 1.00 65.13 H new ATOM 0 HB3 PRO A 50 9.385 -16.916 -1.685 1.00 65.13 H new ATOM 0 HG2 PRO A 50 11.176 -18.951 -3.007 1.00 1.51 H new ATOM 0 HG3 PRO A 50 11.359 -17.210 -2.936 1.00 1.51 H new ATOM 0 HD2 PRO A 50 12.718 -18.904 -1.253 1.00 51.51 H new ATOM 0 HD3 PRO A 50 12.301 -17.264 -0.797 1.00 51.51 H new ATOM 798 N HIS A 51 7.805 -20.491 -1.052 1.00 1.23 N ATOM 799 CA HIS A 51 7.257 -21.783 -1.482 1.00 5.52 C ATOM 800 C HIS A 51 7.098 -21.830 -3.008 1.00 54.52 C ATOM 801 O HIS A 51 6.947 -20.795 -3.656 1.00 63.12 O ATOM 802 CB HIS A 51 5.905 -22.044 -0.803 1.00 10.24 C ATOM 803 CG HIS A 51 6.004 -22.222 0.683 1.00 50.22 C ATOM 804 ND1 HIS A 51 5.866 -23.442 1.303 1.00 53.11 N ATOM 805 CD2 HIS A 51 6.227 -21.327 1.672 1.00 72.31 C ATOM 806 CE1 HIS A 51 6.001 -23.291 2.604 1.00 72.12 C ATOM 807 NE2 HIS A 51 6.223 -22.021 2.857 1.00 13.12 N ATOM 0 H HIS A 51 7.100 -19.803 -0.786 1.00 1.23 H new ATOM 0 HA HIS A 51 7.958 -22.563 -1.185 1.00 5.52 H new ATOM 0 HB2 HIS A 51 5.234 -21.212 -1.017 1.00 10.24 H new ATOM 0 HB3 HIS A 51 5.455 -22.936 -1.238 1.00 10.24 H new ATOM 0 HD2 HIS A 51 6.380 -20.265 1.552 1.00 72.31 H new ATOM 0 HE1 HIS A 51 5.940 -24.079 3.340 1.00 72.12 H new ATOM 0 HE2 HIS A 51 6.369 -21.617 3.782 1.00 13.12 H new ATOM 816 N PHE A 52 7.126 -23.038 -3.575 1.00 23.35 N ATOM 817 CA PHE A 52 7.015 -23.219 -5.033 1.00 62.43 C ATOM 818 C PHE A 52 5.672 -22.704 -5.590 1.00 31.44 C ATOM 819 O PHE A 52 5.526 -22.507 -6.796 1.00 43.21 O ATOM 820 CB PHE A 52 7.218 -24.700 -5.409 1.00 71.35 C ATOM 821 CG PHE A 52 6.114 -25.626 -4.946 1.00 72.11 C ATOM 822 CD1 PHE A 52 5.964 -25.942 -3.603 1.00 44.21 C ATOM 823 CD2 PHE A 52 5.230 -26.187 -5.862 1.00 62.10 C ATOM 824 CE1 PHE A 52 4.963 -26.795 -3.183 1.00 75.34 C ATOM 825 CE2 PHE A 52 4.227 -27.042 -5.445 1.00 65.54 C ATOM 826 CZ PHE A 52 4.092 -27.345 -4.103 1.00 0.32 C ATOM 0 H PHE A 52 7.224 -23.908 -3.051 1.00 23.35 H new ATOM 0 HA PHE A 52 7.803 -22.620 -5.490 1.00 62.43 H new ATOM 0 HB2 PHE A 52 7.308 -24.777 -6.493 1.00 71.35 H new ATOM 0 HB3 PHE A 52 8.162 -25.042 -4.986 1.00 71.35 H new ATOM 0 HD1 PHE A 52 6.639 -25.515 -2.877 1.00 44.21 H new ATOM 0 HD2 PHE A 52 5.328 -25.952 -6.911 1.00 62.10 H new ATOM 0 HE1 PHE A 52 4.861 -27.032 -2.134 1.00 75.34 H new ATOM 0 HE2 PHE A 52 3.549 -27.473 -6.167 1.00 65.54 H new ATOM 0 HZ PHE A 52 3.307 -28.010 -3.775 1.00 0.32 H new ATOM 836 N VAL A 53 4.693 -22.502 -4.708 1.00 25.54 N ATOM 837 CA VAL A 53 3.388 -21.957 -5.100 1.00 63.21 C ATOM 838 C VAL A 53 3.318 -20.440 -4.851 1.00 53.24 C ATOM 839 O VAL A 53 3.533 -19.977 -3.728 1.00 61.31 O ATOM 840 CB VAL A 53 2.236 -22.643 -4.323 1.00 4.51 C ATOM 841 CG1 VAL A 53 0.881 -22.083 -4.753 1.00 31.11 C ATOM 842 CG2 VAL A 53 2.281 -24.156 -4.516 1.00 10.45 C ATOM 0 H VAL A 53 4.777 -22.708 -3.713 1.00 25.54 H new ATOM 0 HA VAL A 53 3.273 -22.154 -6.166 1.00 63.21 H new ATOM 0 HB VAL A 53 2.369 -22.430 -3.262 1.00 4.51 H new ATOM 0 HG11 VAL A 53 0.088 -22.580 -4.194 1.00 31.11 H new ATOM 0 HG12 VAL A 53 0.850 -21.012 -4.553 1.00 31.11 H new ATOM 0 HG13 VAL A 53 0.737 -22.257 -5.819 1.00 31.11 H new ATOM 0 HG21 VAL A 53 1.464 -24.618 -3.962 1.00 10.45 H new ATOM 0 HG22 VAL A 53 2.180 -24.391 -5.576 1.00 10.45 H new ATOM 0 HG23 VAL A 53 3.232 -24.542 -4.148 1.00 10.45 H new ATOM 852 N ARG A 54 3.013 -19.672 -5.899 1.00 33.53 N ATOM 853 CA ARG A 54 2.895 -18.215 -5.782 1.00 41.04 C ATOM 854 C ARG A 54 2.207 -17.614 -7.022 1.00 33.14 C ATOM 855 O ARG A 54 2.492 -18.007 -8.153 1.00 35.13 O ATOM 856 CB ARG A 54 4.288 -17.595 -5.573 1.00 74.21 C ATOM 857 CG ARG A 54 4.281 -16.086 -5.341 1.00 44.21 C ATOM 858 CD ARG A 54 5.606 -15.603 -4.754 1.00 51.12 C ATOM 859 NE ARG A 54 5.845 -16.158 -3.421 1.00 51.50 N ATOM 860 CZ ARG A 54 6.852 -15.840 -2.654 1.00 2.13 C ATOM 861 NH1 ARG A 54 7.794 -15.058 -3.080 1.00 43.24 N ATOM 862 NH2 ARG A 54 6.939 -16.342 -1.468 1.00 4.03 N ATOM 0 H ARG A 54 2.843 -20.033 -6.838 1.00 33.53 H new ATOM 0 HA ARG A 54 2.273 -17.984 -4.917 1.00 41.04 H new ATOM 0 HB2 ARG A 54 4.763 -18.079 -4.719 1.00 74.21 H new ATOM 0 HB3 ARG A 54 4.903 -17.813 -6.446 1.00 74.21 H new ATOM 0 HG2 ARG A 54 4.091 -15.573 -6.284 1.00 44.21 H new ATOM 0 HG3 ARG A 54 3.466 -15.824 -4.666 1.00 44.21 H new ATOM 0 HD2 ARG A 54 6.423 -15.887 -5.418 1.00 51.12 H new ATOM 0 HD3 ARG A 54 5.604 -14.514 -4.699 1.00 51.12 H new ATOM 0 HE ARG A 54 5.177 -16.842 -3.066 1.00 51.50 H new ATOM 0 HH11 ARG A 54 7.755 -14.682 -4.027 1.00 43.24 H new ATOM 0 HH12 ARG A 54 8.574 -14.819 -2.468 1.00 43.24 H new ATOM 0 HH21 ARG A 54 6.222 -16.985 -1.133 1.00 4.03 H new ATOM 0 HH22 ARG A 54 7.725 -16.095 -0.866 1.00 4.03 H new ATOM 876 N ARG A 55 1.295 -16.665 -6.798 1.00 53.43 N ATOM 877 CA ARG A 55 0.523 -16.047 -7.889 1.00 5.54 C ATOM 878 C ARG A 55 0.617 -14.511 -7.857 1.00 31.43 C ATOM 879 O ARG A 55 1.298 -13.936 -7.010 1.00 75.22 O ATOM 880 CB ARG A 55 -0.947 -16.487 -7.805 1.00 3.12 C ATOM 881 CG ARG A 55 -1.607 -16.161 -6.470 1.00 50.12 C ATOM 882 CD ARG A 55 -3.062 -16.621 -6.418 1.00 20.14 C ATOM 883 NE ARG A 55 -3.649 -16.391 -5.102 1.00 52.01 N ATOM 884 CZ ARG A 55 -4.927 -16.296 -4.869 1.00 62.24 C ATOM 885 NH1 ARG A 55 -5.788 -16.394 -5.830 1.00 41.12 N ATOM 886 NH2 ARG A 55 -5.336 -16.108 -3.662 1.00 40.11 N ATOM 0 H ARG A 55 1.070 -16.304 -5.871 1.00 53.43 H new ATOM 0 HA ARG A 55 0.952 -16.384 -8.833 1.00 5.54 H new ATOM 0 HB2 ARG A 55 -1.508 -16.005 -8.605 1.00 3.12 H new ATOM 0 HB3 ARG A 55 -1.006 -17.562 -7.977 1.00 3.12 H new ATOM 0 HG2 ARG A 55 -1.048 -16.637 -5.665 1.00 50.12 H new ATOM 0 HG3 ARG A 55 -1.561 -15.086 -6.297 1.00 50.12 H new ATOM 0 HD2 ARG A 55 -3.640 -16.089 -7.173 1.00 20.14 H new ATOM 0 HD3 ARG A 55 -3.118 -17.682 -6.662 1.00 20.14 H new ATOM 0 HE ARG A 55 -3.014 -16.298 -4.309 1.00 52.01 H new ATOM 0 HH11 ARG A 55 -5.469 -16.548 -6.787 1.00 41.12 H new ATOM 0 HH12 ARG A 55 -6.785 -16.317 -5.631 1.00 41.12 H new ATOM 0 HH21 ARG A 55 -4.661 -16.035 -2.900 1.00 40.11 H new ATOM 0 HH22 ARG A 55 -6.334 -16.032 -3.468 1.00 40.11 H new ATOM 900 N ASN A 56 -0.086 -13.856 -8.786 1.00 70.42 N ATOM 901 CA ASN A 56 -0.047 -12.391 -8.912 1.00 14.32 C ATOM 902 C ASN A 56 -1.133 -11.712 -8.057 1.00 54.14 C ATOM 903 O ASN A 56 -1.156 -10.490 -7.921 1.00 14.24 O ATOM 904 CB ASN A 56 -0.227 -11.984 -10.382 1.00 20.34 C ATOM 905 CG ASN A 56 0.759 -12.666 -11.321 1.00 2.14 C ATOM 906 OD1 ASN A 56 1.182 -13.796 -11.101 1.00 42.24 O ATOM 907 ND2 ASN A 56 1.126 -11.985 -12.387 1.00 70.33 N ATOM 0 H ASN A 56 -0.692 -14.317 -9.465 1.00 70.42 H new ATOM 0 HA ASN A 56 0.926 -12.059 -8.550 1.00 14.32 H new ATOM 0 HB2 ASN A 56 -1.243 -12.224 -10.696 1.00 20.34 H new ATOM 0 HB3 ASN A 56 -0.113 -10.903 -10.469 1.00 20.34 H new ATOM 0 HD21 ASN A 56 1.778 -12.396 -13.055 1.00 70.33 H new ATOM 0 HD22 ASN A 56 0.758 -11.047 -12.544 1.00 70.33 H new ATOM 914 N ILE A 57 -2.036 -12.511 -7.493 1.00 61.43 N ATOM 915 CA ILE A 57 -3.157 -11.982 -6.708 1.00 12.25 C ATOM 916 C ILE A 57 -2.738 -11.597 -5.278 1.00 64.21 C ATOM 917 O ILE A 57 -2.330 -12.446 -4.479 1.00 33.22 O ATOM 918 CB ILE A 57 -4.326 -13.002 -6.643 1.00 45.32 C ATOM 919 CG1 ILE A 57 -4.857 -13.301 -8.056 1.00 64.42 C ATOM 920 CG2 ILE A 57 -5.452 -12.493 -5.740 1.00 52.35 C ATOM 921 CD1 ILE A 57 -5.394 -12.085 -8.783 1.00 10.21 C ATOM 0 H ILE A 57 -2.016 -13.528 -7.563 1.00 61.43 H new ATOM 0 HA ILE A 57 -3.490 -11.080 -7.221 1.00 12.25 H new ATOM 0 HB ILE A 57 -3.944 -13.928 -6.212 1.00 45.32 H new ATOM 0 HG12 ILE A 57 -4.055 -13.741 -8.649 1.00 64.42 H new ATOM 0 HG13 ILE A 57 -5.648 -14.048 -7.985 1.00 64.42 H new ATOM 0 HG21 ILE A 57 -6.257 -13.227 -5.713 1.00 52.35 H new ATOM 0 HG22 ILE A 57 -5.068 -12.339 -4.732 1.00 52.35 H new ATOM 0 HG23 ILE A 57 -5.834 -11.550 -6.131 1.00 52.35 H new ATOM 0 HD11 ILE A 57 -5.749 -12.379 -9.771 1.00 10.21 H new ATOM 0 HD12 ILE A 57 -6.219 -11.656 -8.214 1.00 10.21 H new ATOM 0 HD13 ILE A 57 -4.601 -11.344 -8.888 1.00 10.21 H new ATOM 933 N ILE A 58 -2.850 -10.307 -4.971 1.00 62.12 N ATOM 934 CA ILE A 58 -2.562 -9.787 -3.633 1.00 74.41 C ATOM 935 C ILE A 58 -3.631 -10.231 -2.619 1.00 52.23 C ATOM 936 O ILE A 58 -4.798 -10.405 -2.969 1.00 15.33 O ATOM 937 CB ILE A 58 -2.489 -8.241 -3.663 1.00 13.04 C ATOM 938 CG1 ILE A 58 -1.440 -7.781 -4.688 1.00 45.35 C ATOM 939 CG2 ILE A 58 -2.172 -7.682 -2.277 1.00 12.21 C ATOM 940 CD1 ILE A 58 -1.389 -6.282 -4.886 1.00 62.14 C ATOM 0 H ILE A 58 -3.142 -9.593 -5.639 1.00 62.12 H new ATOM 0 HA ILE A 58 -1.599 -10.192 -3.320 1.00 74.41 H new ATOM 0 HB ILE A 58 -3.463 -7.855 -3.963 1.00 13.04 H new ATOM 0 HG12 ILE A 58 -0.458 -8.129 -4.368 1.00 45.35 H new ATOM 0 HG13 ILE A 58 -1.650 -8.257 -5.646 1.00 45.35 H new ATOM 0 HG21 ILE A 58 -2.126 -6.594 -2.325 1.00 12.21 H new ATOM 0 HG22 ILE A 58 -2.952 -7.982 -1.577 1.00 12.21 H new ATOM 0 HG23 ILE A 58 -1.212 -8.071 -1.939 1.00 12.21 H new ATOM 0 HD11 ILE A 58 -0.625 -6.038 -5.624 1.00 62.14 H new ATOM 0 HD12 ILE A 58 -2.358 -5.928 -5.237 1.00 62.14 H new ATOM 0 HD13 ILE A 58 -1.147 -5.798 -3.940 1.00 62.14 H new ATOM 952 N THR A 59 -3.228 -10.406 -1.363 1.00 34.41 N ATOM 953 CA THR A 59 -4.146 -10.872 -0.313 1.00 22.25 C ATOM 954 C THR A 59 -4.045 -10.016 0.959 1.00 54.22 C ATOM 955 O THR A 59 -3.108 -9.232 1.123 1.00 54.12 O ATOM 956 CB THR A 59 -3.879 -12.353 0.049 1.00 60.23 C ATOM 957 OG1 THR A 59 -4.786 -12.790 1.076 1.00 1.41 O ATOM 958 CG2 THR A 59 -2.440 -12.561 0.513 1.00 72.45 C ATOM 0 H THR A 59 -2.275 -10.234 -1.042 1.00 34.41 H new ATOM 0 HA THR A 59 -5.153 -10.775 -0.719 1.00 22.25 H new ATOM 0 HB THR A 59 -4.039 -12.946 -0.851 1.00 60.23 H new ATOM 0 HG1 THR A 59 -4.606 -13.729 1.293 1.00 1.41 H new ATOM 0 HG21 THR A 59 -2.285 -13.611 0.760 1.00 72.45 H new ATOM 0 HG22 THR A 59 -1.755 -12.271 -0.284 1.00 72.45 H new ATOM 0 HG23 THR A 59 -2.250 -11.950 1.395 1.00 72.45 H new ATOM 966 N ARG A 60 -5.016 -10.180 1.859 1.00 64.33 N ATOM 967 CA ARG A 60 -5.055 -9.420 3.115 1.00 13.12 C ATOM 968 C ARG A 60 -3.852 -9.757 4.012 1.00 43.11 C ATOM 969 O ARG A 60 -3.588 -10.927 4.306 1.00 11.53 O ATOM 970 CB ARG A 60 -6.365 -9.711 3.866 1.00 11.11 C ATOM 971 CG ARG A 60 -6.499 -8.966 5.197 1.00 42.21 C ATOM 972 CD ARG A 60 -7.741 -9.398 5.973 1.00 65.21 C ATOM 973 NE ARG A 60 -7.734 -10.834 6.255 1.00 62.01 N ATOM 974 CZ ARG A 60 -7.863 -11.356 7.446 1.00 71.31 C ATOM 975 NH1 ARG A 60 -8.048 -10.605 8.484 1.00 31.41 N ATOM 976 NH2 ARG A 60 -7.813 -12.640 7.595 1.00 31.14 N ATOM 0 H ARG A 60 -5.790 -10.834 1.743 1.00 64.33 H new ATOM 0 HA ARG A 60 -5.006 -8.360 2.867 1.00 13.12 H new ATOM 0 HB2 ARG A 60 -7.206 -9.444 3.226 1.00 11.11 H new ATOM 0 HB3 ARG A 60 -6.434 -10.783 4.053 1.00 11.11 H new ATOM 0 HG2 ARG A 60 -5.612 -9.146 5.804 1.00 42.21 H new ATOM 0 HG3 ARG A 60 -6.544 -7.893 5.009 1.00 42.21 H new ATOM 0 HD2 ARG A 60 -7.795 -8.844 6.910 1.00 65.21 H new ATOM 0 HD3 ARG A 60 -8.633 -9.144 5.401 1.00 65.21 H new ATOM 0 HE ARG A 60 -7.621 -11.472 5.467 1.00 62.01 H new ATOM 0 HH11 ARG A 60 -8.095 -9.592 8.378 1.00 31.41 H new ATOM 0 HH12 ARG A 60 -8.147 -11.027 9.407 1.00 31.41 H new ATOM 0 HH21 ARG A 60 -7.673 -13.242 6.784 1.00 31.14 H new ATOM 0 HH22 ARG A 60 -7.913 -13.050 8.524 1.00 31.14 H new ATOM 990 N GLY A 61 -3.128 -8.726 4.442 1.00 1.44 N ATOM 991 CA GLY A 61 -1.960 -8.925 5.295 1.00 44.13 C ATOM 992 C GLY A 61 -0.654 -9.052 4.516 1.00 72.52 C ATOM 993 O GLY A 61 0.397 -9.333 5.097 1.00 34.31 O ATOM 0 H GLY A 61 -3.328 -7.752 4.216 1.00 1.44 H new ATOM 0 HA2 GLY A 61 -1.880 -8.089 5.990 1.00 44.13 H new ATOM 0 HA3 GLY A 61 -2.106 -9.824 5.894 1.00 44.13 H new ATOM 997 N ALA A 62 -0.716 -8.862 3.202 1.00 61.44 N ATOM 998 CA ALA A 62 0.480 -8.930 2.354 1.00 41.33 C ATOM 999 C ALA A 62 1.120 -7.545 2.177 1.00 71.43 C ATOM 1000 O ALA A 62 0.445 -6.518 2.264 1.00 1.24 O ATOM 1001 CB ALA A 62 0.128 -9.526 0.994 1.00 55.00 C ATOM 0 H ALA A 62 -1.579 -8.660 2.697 1.00 61.44 H new ATOM 0 HA ALA A 62 1.207 -9.574 2.849 1.00 41.33 H new ATOM 0 HB1 ALA A 62 1.023 -9.571 0.374 1.00 55.00 H new ATOM 0 HB2 ALA A 62 -0.271 -10.531 1.130 1.00 55.00 H new ATOM 0 HB3 ALA A 62 -0.620 -8.902 0.506 1.00 55.00 H new ATOM 1007 N VAL A 63 2.427 -7.524 1.933 1.00 0.40 N ATOM 1008 CA VAL A 63 3.157 -6.272 1.697 1.00 73.41 C ATOM 1009 C VAL A 63 3.658 -6.195 0.249 1.00 54.54 C ATOM 1010 O VAL A 63 4.300 -7.120 -0.242 1.00 75.33 O ATOM 1011 CB VAL A 63 4.359 -6.124 2.660 1.00 72.30 C ATOM 1012 CG1 VAL A 63 5.098 -4.811 2.399 1.00 31.31 C ATOM 1013 CG2 VAL A 63 3.900 -6.214 4.116 1.00 44.40 C ATOM 0 H VAL A 63 3.009 -8.361 1.892 1.00 0.40 H new ATOM 0 HA VAL A 63 2.458 -5.457 1.882 1.00 73.41 H new ATOM 0 HB VAL A 63 5.051 -6.945 2.475 1.00 72.30 H new ATOM 0 HG11 VAL A 63 5.940 -4.725 3.086 1.00 31.31 H new ATOM 0 HG12 VAL A 63 5.464 -4.797 1.372 1.00 31.31 H new ATOM 0 HG13 VAL A 63 4.417 -3.974 2.553 1.00 31.31 H new ATOM 0 HG21 VAL A 63 4.761 -6.107 4.776 1.00 44.40 H new ATOM 0 HG22 VAL A 63 3.184 -5.418 4.322 1.00 44.40 H new ATOM 0 HG23 VAL A 63 3.427 -7.181 4.289 1.00 44.40 H new ATOM 1023 N VAL A 64 3.368 -5.087 -0.427 1.00 60.43 N ATOM 1024 CA VAL A 64 3.730 -4.924 -1.843 1.00 73.43 C ATOM 1025 C VAL A 64 4.756 -3.798 -2.070 1.00 61.42 C ATOM 1026 O VAL A 64 4.854 -2.852 -1.282 1.00 64.13 O ATOM 1027 CB VAL A 64 2.471 -4.644 -2.703 1.00 20.52 C ATOM 1028 CG1 VAL A 64 1.503 -5.825 -2.641 1.00 53.35 C ATOM 1029 CG2 VAL A 64 1.782 -3.352 -2.255 1.00 4.12 C ATOM 0 H VAL A 64 2.884 -4.286 -0.023 1.00 60.43 H new ATOM 0 HA VAL A 64 4.190 -5.864 -2.149 1.00 73.43 H new ATOM 0 HB VAL A 64 2.787 -4.516 -3.738 1.00 20.52 H new ATOM 0 HG11 VAL A 64 0.626 -5.609 -3.251 1.00 53.35 H new ATOM 0 HG12 VAL A 64 1.997 -6.720 -3.019 1.00 53.35 H new ATOM 0 HG13 VAL A 64 1.195 -5.989 -1.608 1.00 53.35 H new ATOM 0 HG21 VAL A 64 0.901 -3.176 -2.873 1.00 4.12 H new ATOM 0 HG22 VAL A 64 1.481 -3.443 -1.211 1.00 4.12 H new ATOM 0 HG23 VAL A 64 2.473 -2.516 -2.361 1.00 4.12 H new ATOM 1039 N GLU A 65 5.520 -3.916 -3.159 1.00 62.10 N ATOM 1040 CA GLU A 65 6.491 -2.886 -3.557 1.00 15.21 C ATOM 1041 C GLU A 65 5.834 -1.842 -4.472 1.00 1.20 C ATOM 1042 O GLU A 65 5.505 -2.133 -5.624 1.00 32.25 O ATOM 1043 CB GLU A 65 7.683 -3.523 -4.292 1.00 74.55 C ATOM 1044 CG GLU A 65 8.751 -2.519 -4.734 1.00 25.35 C ATOM 1045 CD GLU A 65 9.788 -3.119 -5.678 1.00 40.20 C ATOM 1046 OE1 GLU A 65 10.761 -3.727 -5.191 1.00 32.14 O ATOM 1047 OE2 GLU A 65 9.634 -2.980 -6.913 1.00 33.50 O ATOM 0 H GLU A 65 5.486 -4.719 -3.787 1.00 62.10 H new ATOM 0 HA GLU A 65 6.845 -2.395 -2.650 1.00 15.21 H new ATOM 0 HB2 GLU A 65 8.144 -4.265 -3.640 1.00 74.55 H new ATOM 0 HB3 GLU A 65 7.314 -4.055 -5.169 1.00 74.55 H new ATOM 0 HG2 GLU A 65 8.266 -1.676 -5.226 1.00 25.35 H new ATOM 0 HG3 GLU A 65 9.257 -2.125 -3.852 1.00 25.35 H new ATOM 1054 N THR A 66 5.638 -0.632 -3.959 1.00 22.22 N ATOM 1055 CA THR A 66 5.048 0.462 -4.742 1.00 70.23 C ATOM 1056 C THR A 66 6.079 1.554 -5.038 1.00 61.45 C ATOM 1057 O THR A 66 7.165 1.578 -4.451 1.00 1.23 O ATOM 1058 CB THR A 66 3.856 1.114 -4.004 1.00 35.21 C ATOM 1059 OG1 THR A 66 4.318 1.781 -2.819 1.00 75.04 O ATOM 1060 CG2 THR A 66 2.808 0.073 -3.631 1.00 63.04 C ATOM 0 H THR A 66 5.878 -0.378 -3.001 1.00 22.22 H new ATOM 0 HA THR A 66 4.701 0.017 -5.674 1.00 70.23 H new ATOM 0 HB THR A 66 3.397 1.840 -4.676 1.00 35.21 H new ATOM 0 HG1 THR A 66 4.947 1.201 -2.341 1.00 75.04 H new ATOM 0 HG21 THR A 66 1.981 0.559 -3.113 1.00 63.04 H new ATOM 0 HG22 THR A 66 2.437 -0.410 -4.535 1.00 63.04 H new ATOM 0 HG23 THR A 66 3.256 -0.676 -2.977 1.00 63.04 H new ATOM 1068 N ASN A 67 5.726 2.473 -5.936 1.00 33.33 N ATOM 1069 CA ASN A 67 6.609 3.590 -6.297 1.00 5.51 C ATOM 1070 C ASN A 67 6.945 4.482 -5.082 1.00 10.25 C ATOM 1071 O ASN A 67 7.919 5.234 -5.106 1.00 1.23 O ATOM 1072 CB ASN A 67 5.977 4.429 -7.417 1.00 61.14 C ATOM 1073 CG ASN A 67 4.607 4.973 -7.052 1.00 32.53 C ATOM 1074 OD1 ASN A 67 3.872 4.372 -6.277 1.00 73.44 O ATOM 1075 ND2 ASN A 67 4.249 6.108 -7.615 1.00 74.25 N ATOM 0 H ASN A 67 4.833 2.469 -6.430 1.00 33.33 H new ATOM 0 HA ASN A 67 7.546 3.162 -6.654 1.00 5.51 H new ATOM 0 HB2 ASN A 67 6.639 5.261 -7.658 1.00 61.14 H new ATOM 0 HB3 ASN A 67 5.891 3.819 -8.316 1.00 61.14 H new ATOM 0 HD21 ASN A 67 3.335 6.513 -7.410 1.00 74.25 H new ATOM 0 HD22 ASN A 67 4.885 6.582 -8.256 1.00 74.25 H new ATOM 1082 N LEU A 68 6.133 4.397 -4.027 1.00 34.54 N ATOM 1083 CA LEU A 68 6.379 5.155 -2.792 1.00 31.33 C ATOM 1084 C LEU A 68 7.180 4.334 -1.766 1.00 44.04 C ATOM 1085 O LEU A 68 7.946 4.890 -0.973 1.00 25.42 O ATOM 1086 CB LEU A 68 5.051 5.606 -2.167 1.00 0.53 C ATOM 1087 CG LEU A 68 4.175 6.508 -3.050 1.00 71.43 C ATOM 1088 CD1 LEU A 68 2.897 6.898 -2.313 1.00 41.03 C ATOM 1089 CD2 LEU A 68 4.945 7.753 -3.492 1.00 73.32 C ATOM 0 H LEU A 68 5.298 3.812 -4.000 1.00 34.54 H new ATOM 0 HA LEU A 68 6.971 6.029 -3.062 1.00 31.33 H new ATOM 0 HB2 LEU A 68 4.476 4.719 -1.901 1.00 0.53 H new ATOM 0 HB3 LEU A 68 5.268 6.136 -1.239 1.00 0.53 H new ATOM 0 HG LEU A 68 3.900 5.947 -3.943 1.00 71.43 H new ATOM 0 HD11 LEU A 68 2.288 7.537 -2.953 1.00 41.03 H new ATOM 0 HD12 LEU A 68 2.335 5.999 -2.058 1.00 41.03 H new ATOM 0 HD13 LEU A 68 3.153 7.437 -1.401 1.00 41.03 H new ATOM 0 HD21 LEU A 68 4.303 8.375 -4.116 1.00 73.32 H new ATOM 0 HD22 LEU A 68 5.257 8.319 -2.614 1.00 73.32 H new ATOM 0 HD23 LEU A 68 5.825 7.454 -4.062 1.00 73.32 H new ATOM 1101 N GLY A 69 7.008 3.013 -1.781 1.00 15.02 N ATOM 1102 CA GLY A 69 7.674 2.155 -0.801 1.00 14.42 C ATOM 1103 C GLY A 69 6.914 0.862 -0.523 1.00 21.31 C ATOM 1104 O GLY A 69 6.225 0.338 -1.396 1.00 70.31 O ATOM 0 H GLY A 69 6.421 2.518 -2.452 1.00 15.02 H new ATOM 0 HA2 GLY A 69 8.674 1.912 -1.160 1.00 14.42 H new ATOM 0 HA3 GLY A 69 7.796 2.706 0.132 1.00 14.42 H new ATOM 1108 N ASN A 70 7.037 0.341 0.696 1.00 13.31 N ATOM 1109 CA ASN A 70 6.375 -0.915 1.068 1.00 64.32 C ATOM 1110 C ASN A 70 4.991 -0.645 1.665 1.00 52.42 C ATOM 1111 O ASN A 70 4.865 0.028 2.684 1.00 2.10 O ATOM 1112 CB ASN A 70 7.230 -1.692 2.073 1.00 45.40 C ATOM 1113 CG ASN A 70 8.620 -2.011 1.551 1.00 64.14 C ATOM 1114 OD1 ASN A 70 9.572 -2.092 2.317 1.00 32.23 O ATOM 1115 ND2 ASN A 70 8.751 -2.207 0.253 1.00 11.45 N ATOM 0 H ASN A 70 7.586 0.765 1.443 1.00 13.31 H new ATOM 0 HA ASN A 70 6.255 -1.513 0.165 1.00 64.32 H new ATOM 0 HB2 ASN A 70 7.318 -1.112 2.992 1.00 45.40 H new ATOM 0 HB3 ASN A 70 6.723 -2.622 2.330 1.00 45.40 H new ATOM 0 HD21 ASN A 70 9.665 -2.433 -0.139 1.00 11.45 H new ATOM 0 HD22 ASN A 70 7.938 -2.132 -0.359 1.00 11.45 H new ATOM 1122 N VAL A 71 3.952 -1.170 1.030 1.00 4.03 N ATOM 1123 CA VAL A 71 2.583 -0.952 1.497 1.00 22.43 C ATOM 1124 C VAL A 71 1.971 -2.236 2.072 1.00 31.45 C ATOM 1125 O VAL A 71 1.933 -3.273 1.408 1.00 63.34 O ATOM 1126 CB VAL A 71 1.687 -0.412 0.360 1.00 45.14 C ATOM 1127 CG1 VAL A 71 0.264 -0.172 0.851 1.00 33.34 C ATOM 1128 CG2 VAL A 71 2.278 0.870 -0.226 1.00 64.14 C ATOM 0 H VAL A 71 4.027 -1.748 0.193 1.00 4.03 H new ATOM 0 HA VAL A 71 2.633 -0.208 2.292 1.00 22.43 H new ATOM 0 HB VAL A 71 1.648 -1.166 -0.426 1.00 45.14 H new ATOM 0 HG11 VAL A 71 -0.345 0.208 0.031 1.00 33.34 H new ATOM 0 HG12 VAL A 71 -0.159 -1.109 1.213 1.00 33.34 H new ATOM 0 HG13 VAL A 71 0.277 0.557 1.661 1.00 33.34 H new ATOM 0 HG21 VAL A 71 1.633 1.236 -1.025 1.00 64.14 H new ATOM 0 HG22 VAL A 71 2.352 1.627 0.555 1.00 64.14 H new ATOM 0 HG23 VAL A 71 3.271 0.663 -0.626 1.00 64.14 H new ATOM 1138 N ARG A 72 1.499 -2.158 3.314 1.00 62.41 N ATOM 1139 CA ARG A 72 0.864 -3.298 3.979 1.00 12.52 C ATOM 1140 C ARG A 72 -0.656 -3.281 3.749 1.00 25.45 C ATOM 1141 O ARG A 72 -1.352 -2.374 4.210 1.00 61.01 O ATOM 1142 CB ARG A 72 1.177 -3.271 5.485 1.00 24.05 C ATOM 1143 CG ARG A 72 0.753 -4.536 6.229 1.00 23.20 C ATOM 1144 CD ARG A 72 1.171 -4.505 7.699 1.00 20.41 C ATOM 1145 NE ARG A 72 2.629 -4.455 7.866 1.00 65.51 N ATOM 1146 CZ ARG A 72 3.265 -4.895 8.921 1.00 14.25 C ATOM 1147 NH1 ARG A 72 2.625 -5.439 9.902 1.00 52.34 N ATOM 1148 NH2 ARG A 72 4.552 -4.804 8.994 1.00 12.51 N ATOM 0 H ARG A 72 1.544 -1.314 3.884 1.00 62.41 H new ATOM 0 HA ARG A 72 1.265 -4.217 3.552 1.00 12.52 H new ATOM 0 HB2 ARG A 72 2.248 -3.124 5.621 1.00 24.05 H new ATOM 0 HB3 ARG A 72 0.678 -2.413 5.934 1.00 24.05 H new ATOM 0 HG2 ARG A 72 -0.329 -4.650 6.162 1.00 23.20 H new ATOM 0 HG3 ARG A 72 1.196 -5.407 5.745 1.00 23.20 H new ATOM 0 HD2 ARG A 72 0.723 -3.637 8.183 1.00 20.41 H new ATOM 0 HD3 ARG A 72 0.780 -5.389 8.204 1.00 20.41 H new ATOM 0 HE ARG A 72 3.182 -4.051 7.110 1.00 65.51 H new ATOM 0 HH11 ARG A 72 1.610 -5.530 9.861 1.00 52.34 H new ATOM 0 HH12 ARG A 72 3.135 -5.777 10.718 1.00 52.34 H new ATOM 0 HH21 ARG A 72 5.078 -4.387 8.226 1.00 12.51 H new ATOM 0 HH22 ARG A 72 5.042 -5.149 9.820 1.00 12.51 H new ATOM 1162 N VAL A 73 -1.161 -4.289 3.040 1.00 74.23 N ATOM 1163 CA VAL A 73 -2.577 -4.352 2.655 1.00 11.44 C ATOM 1164 C VAL A 73 -3.491 -4.663 3.854 1.00 15.21 C ATOM 1165 O VAL A 73 -3.343 -5.695 4.518 1.00 45.24 O ATOM 1166 CB VAL A 73 -2.805 -5.408 1.544 1.00 0.21 C ATOM 1167 CG1 VAL A 73 -4.277 -5.471 1.136 1.00 45.31 C ATOM 1168 CG2 VAL A 73 -1.919 -5.109 0.333 1.00 73.54 C ATOM 0 H VAL A 73 -0.607 -5.082 2.716 1.00 74.23 H new ATOM 0 HA VAL A 73 -2.839 -3.365 2.274 1.00 11.44 H new ATOM 0 HB VAL A 73 -2.529 -6.384 1.943 1.00 0.21 H new ATOM 0 HG11 VAL A 73 -4.406 -6.220 0.355 1.00 45.31 H new ATOM 0 HG12 VAL A 73 -4.883 -5.740 2.001 1.00 45.31 H new ATOM 0 HG13 VAL A 73 -4.592 -4.498 0.760 1.00 45.31 H new ATOM 0 HG21 VAL A 73 -2.091 -5.860 -0.438 1.00 73.54 H new ATOM 0 HG22 VAL A 73 -2.162 -4.122 -0.061 1.00 73.54 H new ATOM 0 HG23 VAL A 73 -0.872 -5.132 0.634 1.00 73.54 H new ATOM 1178 N THR A 74 -4.440 -3.765 4.118 1.00 23.13 N ATOM 1179 CA THR A 74 -5.369 -3.908 5.250 1.00 61.42 C ATOM 1180 C THR A 74 -6.758 -4.372 4.795 1.00 33.42 C ATOM 1181 O THR A 74 -7.375 -5.236 5.424 1.00 1.03 O ATOM 1182 CB THR A 74 -5.533 -2.572 6.015 1.00 54.41 C ATOM 1183 OG1 THR A 74 -6.058 -1.564 5.134 1.00 54.11 O ATOM 1184 CG2 THR A 74 -4.201 -2.102 6.591 1.00 34.33 C ATOM 0 H THR A 74 -4.590 -2.923 3.562 1.00 23.13 H new ATOM 0 HA THR A 74 -4.933 -4.662 5.906 1.00 61.42 H new ATOM 0 HB THR A 74 -6.227 -2.737 6.839 1.00 54.41 H new ATOM 0 HG1 THR A 74 -6.161 -0.722 5.625 1.00 54.11 H new ATOM 0 HG21 THR A 74 -4.346 -1.162 7.123 1.00 34.33 H new ATOM 0 HG22 THR A 74 -3.817 -2.854 7.281 1.00 34.33 H new ATOM 0 HG23 THR A 74 -3.486 -1.954 5.781 1.00 34.33 H new ATOM 1192 N SER A 75 -7.253 -3.784 3.710 1.00 51.13 N ATOM 1193 CA SER A 75 -8.604 -4.090 3.209 1.00 63.01 C ATOM 1194 C SER A 75 -8.584 -5.192 2.136 1.00 24.13 C ATOM 1195 O SER A 75 -7.536 -5.760 1.827 1.00 45.41 O ATOM 1196 CB SER A 75 -9.260 -2.821 2.641 1.00 62.23 C ATOM 1197 OG SER A 75 -10.599 -3.068 2.232 1.00 45.23 O ATOM 0 H SER A 75 -6.746 -3.093 3.157 1.00 51.13 H new ATOM 0 HA SER A 75 -9.188 -4.458 4.053 1.00 63.01 H new ATOM 0 HB2 SER A 75 -9.248 -2.034 3.395 1.00 62.23 H new ATOM 0 HB3 SER A 75 -8.680 -2.458 1.793 1.00 62.23 H new ATOM 0 HG SER A 75 -10.627 -3.190 1.260 1.00 45.23 H new ATOM 1203 N ARG A 76 -9.755 -5.490 1.575 1.00 43.11 N ATOM 1204 CA ARG A 76 -9.884 -6.515 0.530 1.00 20.11 C ATOM 1205 C ARG A 76 -9.570 -5.950 -0.867 1.00 51.05 C ATOM 1206 O ARG A 76 -10.156 -4.949 -1.289 1.00 23.13 O ATOM 1207 CB ARG A 76 -11.304 -7.109 0.531 1.00 15.14 C ATOM 1208 CG ARG A 76 -11.548 -8.145 1.623 1.00 13.33 C ATOM 1209 CD ARG A 76 -12.962 -8.722 1.552 1.00 52.35 C ATOM 1210 NE ARG A 76 -13.092 -9.956 2.327 1.00 43.15 N ATOM 1211 CZ ARG A 76 -14.224 -10.568 2.557 1.00 51.32 C ATOM 1212 NH1 ARG A 76 -15.351 -10.045 2.190 1.00 2.31 N ATOM 1213 NH2 ARG A 76 -14.230 -11.702 3.179 1.00 24.00 N ATOM 0 H ARG A 76 -10.634 -5.036 1.825 1.00 43.11 H new ATOM 0 HA ARG A 76 -9.158 -7.296 0.755 1.00 20.11 H new ATOM 0 HB2 ARG A 76 -12.024 -6.299 0.647 1.00 15.14 H new ATOM 0 HB3 ARG A 76 -11.494 -7.568 -0.439 1.00 15.14 H new ATOM 0 HG2 ARG A 76 -10.821 -8.952 1.528 1.00 13.33 H new ATOM 0 HG3 ARG A 76 -11.391 -7.688 2.600 1.00 13.33 H new ATOM 0 HD2 ARG A 76 -13.673 -7.984 1.924 1.00 52.35 H new ATOM 0 HD3 ARG A 76 -13.221 -8.919 0.512 1.00 52.35 H new ATOM 0 HE ARG A 76 -12.242 -10.366 2.714 1.00 43.15 H new ATOM 0 HH11 ARG A 76 -15.364 -9.143 1.714 1.00 2.31 H new ATOM 0 HH12 ARG A 76 -16.226 -10.535 2.377 1.00 2.31 H new ATOM 0 HH21 ARG A 76 -13.352 -12.118 3.490 1.00 24.00 H new ATOM 0 HH22 ARG A 76 -15.113 -12.180 3.359 1.00 24.00 H new ATOM 1227 N PRO A 77 -8.640 -6.584 -1.610 1.00 12.12 N ATOM 1228 CA PRO A 77 -8.372 -6.211 -3.006 1.00 50.01 C ATOM 1229 C PRO A 77 -9.618 -6.390 -3.892 1.00 64.10 C ATOM 1230 O PRO A 77 -10.218 -7.466 -3.930 1.00 3.40 O ATOM 1231 CB PRO A 77 -7.247 -7.172 -3.437 1.00 13.01 C ATOM 1232 CG PRO A 77 -7.283 -8.291 -2.444 1.00 64.00 C ATOM 1233 CD PRO A 77 -7.777 -7.692 -1.156 1.00 52.11 C ATOM 0 HA PRO A 77 -8.095 -5.161 -3.106 1.00 50.01 H new ATOM 0 HB2 PRO A 77 -7.410 -7.540 -4.450 1.00 13.01 H new ATOM 0 HB3 PRO A 77 -6.279 -6.672 -3.431 1.00 13.01 H new ATOM 0 HG2 PRO A 77 -7.944 -9.089 -2.781 1.00 64.00 H new ATOM 0 HG3 PRO A 77 -6.293 -8.729 -2.315 1.00 64.00 H new ATOM 0 HD2 PRO A 77 -8.332 -8.417 -0.561 1.00 52.11 H new ATOM 0 HD3 PRO A 77 -6.955 -7.334 -0.536 1.00 52.11 H new ATOM 1241 N GLY A 78 -10.011 -5.325 -4.588 1.00 13.14 N ATOM 1242 CA GLY A 78 -11.208 -5.372 -5.422 1.00 71.32 C ATOM 1243 C GLY A 78 -12.479 -4.919 -4.701 1.00 41.35 C ATOM 1244 O GLY A 78 -13.537 -4.816 -5.324 1.00 15.32 O ATOM 0 H GLY A 78 -9.524 -4.429 -4.591 1.00 13.14 H new ATOM 0 HA2 GLY A 78 -11.054 -4.742 -6.298 1.00 71.32 H new ATOM 0 HA3 GLY A 78 -11.349 -6.391 -5.782 1.00 71.32 H new ATOM 1248 N GLN A 79 -12.374 -4.625 -3.397 1.00 44.12 N ATOM 1249 CA GLN A 79 -13.533 -4.196 -2.587 1.00 33.13 C ATOM 1250 C GLN A 79 -14.295 -3.050 -3.281 1.00 41.24 C ATOM 1251 O GLN A 79 -15.454 -3.205 -3.663 1.00 62.44 O ATOM 1252 CB GLN A 79 -13.056 -3.769 -1.181 1.00 44.01 C ATOM 1253 CG GLN A 79 -14.165 -3.623 -0.131 1.00 23.31 C ATOM 1254 CD GLN A 79 -14.998 -2.357 -0.281 1.00 11.52 C ATOM 1255 OE1 GLN A 79 -14.516 -1.327 -0.740 1.00 21.13 O ATOM 1256 NE2 GLN A 79 -16.255 -2.424 0.109 1.00 41.45 N ATOM 0 H GLN A 79 -11.498 -4.675 -2.876 1.00 44.12 H new ATOM 0 HA GLN A 79 -14.221 -5.035 -2.485 1.00 33.13 H new ATOM 0 HB2 GLN A 79 -12.332 -4.501 -0.822 1.00 44.01 H new ATOM 0 HB3 GLN A 79 -12.531 -2.818 -1.266 1.00 44.01 H new ATOM 0 HG2 GLN A 79 -14.825 -4.489 -0.191 1.00 23.31 H new ATOM 0 HG3 GLN A 79 -13.715 -3.634 0.862 1.00 23.31 H new ATOM 0 HE21 GLN A 79 -16.626 -3.296 0.487 1.00 41.45 H new ATOM 0 HE22 GLN A 79 -16.857 -1.604 0.033 1.00 41.45 H new ATOM 1265 N ASP A 80 -13.633 -1.906 -3.440 1.00 71.20 N ATOM 1266 CA ASP A 80 -14.185 -0.779 -4.201 1.00 64.23 C ATOM 1267 C ASP A 80 -13.536 -0.730 -5.598 1.00 54.14 C ATOM 1268 O ASP A 80 -13.487 0.309 -6.255 1.00 34.51 O ATOM 1269 CB ASP A 80 -13.941 0.531 -3.428 1.00 45.25 C ATOM 1270 CG ASP A 80 -14.623 1.733 -4.064 1.00 11.33 C ATOM 1271 OD1 ASP A 80 -15.871 1.780 -4.071 1.00 14.44 O ATOM 1272 OD2 ASP A 80 -13.917 2.629 -4.571 1.00 30.33 O ATOM 0 H ASP A 80 -12.707 -1.731 -3.050 1.00 71.20 H new ATOM 0 HA ASP A 80 -15.260 -0.908 -4.329 1.00 64.23 H new ATOM 0 HB2 ASP A 80 -14.301 0.415 -2.406 1.00 45.25 H new ATOM 0 HB3 ASP A 80 -12.869 0.718 -3.370 1.00 45.25 H new ATOM 1277 N GLY A 81 -13.056 -1.886 -6.056 1.00 41.34 N ATOM 1278 CA GLY A 81 -12.293 -1.953 -7.298 1.00 32.32 C ATOM 1279 C GLY A 81 -10.803 -1.708 -7.080 1.00 42.33 C ATOM 1280 O GLY A 81 -9.962 -2.230 -7.816 1.00 60.50 O ATOM 0 H GLY A 81 -13.182 -2.783 -5.587 1.00 41.34 H new ATOM 0 HA2 GLY A 81 -12.434 -2.932 -7.755 1.00 32.32 H new ATOM 0 HA3 GLY A 81 -12.681 -1.215 -8.000 1.00 32.32 H new ATOM 1284 N VAL A 82 -10.479 -0.915 -6.058 1.00 34.32 N ATOM 1285 CA VAL A 82 -9.089 -0.587 -5.717 1.00 73.45 C ATOM 1286 C VAL A 82 -8.665 -1.262 -4.394 1.00 15.15 C ATOM 1287 O VAL A 82 -9.506 -1.755 -3.639 1.00 11.22 O ATOM 1288 CB VAL A 82 -8.904 0.953 -5.601 1.00 53.54 C ATOM 1289 CG1 VAL A 82 -9.641 1.504 -4.380 1.00 41.44 C ATOM 1290 CG2 VAL A 82 -7.424 1.342 -5.574 1.00 10.33 C ATOM 0 H VAL A 82 -11.168 -0.482 -5.443 1.00 34.32 H new ATOM 0 HA VAL A 82 -8.455 -0.965 -6.519 1.00 73.45 H new ATOM 0 HB VAL A 82 -9.343 1.404 -6.491 1.00 53.54 H new ATOM 0 HG11 VAL A 82 -9.495 2.583 -4.323 1.00 41.44 H new ATOM 0 HG12 VAL A 82 -10.705 1.286 -4.469 1.00 41.44 H new ATOM 0 HG13 VAL A 82 -9.249 1.037 -3.477 1.00 41.44 H new ATOM 0 HG21 VAL A 82 -7.334 2.425 -5.492 1.00 10.33 H new ATOM 0 HG22 VAL A 82 -6.940 0.872 -4.718 1.00 10.33 H new ATOM 0 HG23 VAL A 82 -6.943 1.006 -6.493 1.00 10.33 H new ATOM 1300 N ILE A 83 -7.360 -1.287 -4.126 1.00 32.14 N ATOM 1301 CA ILE A 83 -6.819 -1.864 -2.888 1.00 50.23 C ATOM 1302 C ILE A 83 -6.445 -0.762 -1.875 1.00 22.22 C ATOM 1303 O ILE A 83 -6.055 0.342 -2.258 1.00 61.33 O ATOM 1304 CB ILE A 83 -5.565 -2.727 -3.190 1.00 31.31 C ATOM 1305 CG1 ILE A 83 -5.855 -3.709 -4.341 1.00 55.55 C ATOM 1306 CG2 ILE A 83 -5.114 -3.483 -1.938 1.00 4.41 C ATOM 1307 CD1 ILE A 83 -4.662 -4.548 -4.754 1.00 21.32 C ATOM 0 H ILE A 83 -6.649 -0.912 -4.754 1.00 32.14 H new ATOM 0 HA ILE A 83 -7.597 -2.492 -2.454 1.00 50.23 H new ATOM 0 HB ILE A 83 -4.756 -2.064 -3.496 1.00 31.31 H new ATOM 0 HG12 ILE A 83 -6.666 -4.373 -4.042 1.00 55.55 H new ATOM 0 HG13 ILE A 83 -6.206 -3.145 -5.205 1.00 55.55 H new ATOM 0 HG21 ILE A 83 -4.234 -4.082 -2.172 1.00 4.41 H new ATOM 0 HG22 ILE A 83 -4.869 -2.770 -1.151 1.00 4.41 H new ATOM 0 HG23 ILE A 83 -5.918 -4.137 -1.598 1.00 4.41 H new ATOM 0 HD11 ILE A 83 -4.949 -5.213 -5.569 1.00 21.32 H new ATOM 0 HD12 ILE A 83 -3.855 -3.895 -5.086 1.00 21.32 H new ATOM 0 HD13 ILE A 83 -4.323 -5.141 -3.905 1.00 21.32 H new ATOM 1319 N ASN A 84 -6.573 -1.063 -0.581 1.00 73.14 N ATOM 1320 CA ASN A 84 -6.203 -0.116 0.487 1.00 3.24 C ATOM 1321 C ASN A 84 -5.090 -0.687 1.387 1.00 20.43 C ATOM 1322 O ASN A 84 -5.150 -1.848 1.803 1.00 21.34 O ATOM 1323 CB ASN A 84 -7.432 0.237 1.340 1.00 42.34 C ATOM 1324 CG ASN A 84 -8.525 0.944 0.550 1.00 3.54 C ATOM 1325 OD1 ASN A 84 -9.708 0.767 0.818 1.00 13.54 O ATOM 1326 ND2 ASN A 84 -8.144 1.764 -0.412 1.00 0.14 N ATOM 0 H ASN A 84 -6.930 -1.956 -0.241 1.00 73.14 H new ATOM 0 HA ASN A 84 -5.824 0.787 0.009 1.00 3.24 H new ATOM 0 HB2 ASN A 84 -7.839 -0.676 1.775 1.00 42.34 H new ATOM 0 HB3 ASN A 84 -7.121 0.874 2.168 1.00 42.34 H new ATOM 0 HD21 ASN A 84 -8.842 2.271 -0.956 1.00 0.14 H new ATOM 0 HD22 ASN A 84 -7.152 1.890 -0.611 1.00 0.14 H new ATOM 1333 N GLY A 85 -4.083 0.136 1.691 1.00 54.15 N ATOM 1334 CA GLY A 85 -2.973 -0.310 2.537 1.00 32.05 C ATOM 1335 C GLY A 85 -2.264 0.834 3.261 1.00 24.03 C ATOM 1336 O GLY A 85 -2.612 1.997 3.080 1.00 14.10 O ATOM 0 H GLY A 85 -4.013 1.101 1.369 1.00 54.15 H new ATOM 0 HA2 GLY A 85 -3.350 -1.019 3.274 1.00 32.05 H new ATOM 0 HA3 GLY A 85 -2.249 -0.845 1.922 1.00 32.05 H new ATOM 1340 N VAL A 86 -1.260 0.501 4.081 1.00 71.11 N ATOM 1341 CA VAL A 86 -0.507 1.511 4.853 1.00 2.22 C ATOM 1342 C VAL A 86 0.939 1.670 4.339 1.00 53.20 C ATOM 1343 O VAL A 86 1.596 0.687 3.992 1.00 14.11 O ATOM 1344 CB VAL A 86 -0.454 1.148 6.359 1.00 70.41 C ATOM 1345 CG1 VAL A 86 0.030 2.335 7.192 1.00 22.11 C ATOM 1346 CG2 VAL A 86 -1.812 0.656 6.851 1.00 44.13 C ATOM 0 H VAL A 86 -0.946 -0.458 4.231 1.00 71.11 H new ATOM 0 HA VAL A 86 -1.040 2.452 4.719 1.00 2.22 H new ATOM 0 HB VAL A 86 0.263 0.336 6.482 1.00 70.41 H new ATOM 0 HG11 VAL A 86 0.058 2.053 8.245 1.00 22.11 H new ATOM 0 HG12 VAL A 86 1.029 2.624 6.867 1.00 22.11 H new ATOM 0 HG13 VAL A 86 -0.652 3.175 7.059 1.00 22.11 H new ATOM 0 HG21 VAL A 86 -1.747 0.408 7.910 1.00 44.13 H new ATOM 0 HG22 VAL A 86 -2.557 1.439 6.706 1.00 44.13 H new ATOM 0 HG23 VAL A 86 -2.104 -0.231 6.288 1.00 44.13 H new ATOM 1356 N LEU A 87 1.435 2.913 4.320 1.00 54.05 N ATOM 1357 CA LEU A 87 2.786 3.221 3.819 1.00 21.51 C ATOM 1358 C LEU A 87 3.868 2.978 4.888 1.00 40.42 C ATOM 1359 O LEU A 87 3.946 3.700 5.881 1.00 42.55 O ATOM 1360 CB LEU A 87 2.848 4.684 3.345 1.00 31.10 C ATOM 1361 CG LEU A 87 4.198 5.135 2.755 1.00 63.33 C ATOM 1362 CD1 LEU A 87 4.553 4.319 1.513 1.00 14.20 C ATOM 1363 CD2 LEU A 87 4.172 6.628 2.436 1.00 34.51 C ATOM 0 H LEU A 87 0.919 3.729 4.648 1.00 54.05 H new ATOM 0 HA LEU A 87 2.986 2.550 2.984 1.00 21.51 H new ATOM 0 HB2 LEU A 87 2.074 4.837 2.593 1.00 31.10 H new ATOM 0 HB3 LEU A 87 2.606 5.331 4.188 1.00 31.10 H new ATOM 0 HG LEU A 87 4.971 4.958 3.503 1.00 63.33 H new ATOM 0 HD11 LEU A 87 5.510 4.658 1.117 1.00 14.20 H new ATOM 0 HD12 LEU A 87 4.623 3.264 1.778 1.00 14.20 H new ATOM 0 HD13 LEU A 87 3.779 4.452 0.757 1.00 14.20 H new ATOM 0 HD21 LEU A 87 5.134 6.928 2.020 1.00 34.51 H new ATOM 0 HD22 LEU A 87 3.384 6.831 1.711 1.00 34.51 H new ATOM 0 HD23 LEU A 87 3.979 7.192 3.349 1.00 34.51 H new ATOM 1375 N ILE A 88 4.701 1.962 4.672 1.00 61.41 N ATOM 1376 CA ILE A 88 5.789 1.623 5.603 1.00 2.24 C ATOM 1377 C ILE A 88 7.048 1.138 4.853 1.00 42.21 C ATOM 1378 O ILE A 88 7.147 1.253 3.628 1.00 20.25 O ATOM 1379 CB ILE A 88 5.347 0.516 6.600 1.00 0.04 C ATOM 1380 CG1 ILE A 88 4.922 -0.751 5.834 1.00 54.42 C ATOM 1381 CG2 ILE A 88 4.224 1.008 7.514 1.00 30.23 C ATOM 1382 CD1 ILE A 88 4.330 -1.833 6.712 1.00 12.15 C ATOM 0 H ILE A 88 4.647 1.352 3.856 1.00 61.41 H new ATOM 0 HA ILE A 88 6.028 2.535 6.150 1.00 2.24 H new ATOM 0 HB ILE A 88 6.198 0.268 7.234 1.00 0.04 H new ATOM 0 HG12 ILE A 88 4.192 -0.475 5.073 1.00 54.42 H new ATOM 0 HG13 ILE A 88 5.789 -1.155 5.312 1.00 54.42 H new ATOM 0 HG21 ILE A 88 3.937 0.211 8.200 1.00 30.23 H new ATOM 0 HG22 ILE A 88 4.570 1.870 8.084 1.00 30.23 H new ATOM 0 HG23 ILE A 88 3.363 1.295 6.910 1.00 30.23 H new ATOM 0 HD11 ILE A 88 4.056 -2.691 6.098 1.00 12.15 H new ATOM 0 HD12 ILE A 88 5.064 -2.139 7.457 1.00 12.15 H new ATOM 0 HD13 ILE A 88 3.442 -1.449 7.214 1.00 12.15 H new ATOM 1394 N ARG A 89 8.014 0.604 5.604 1.00 53.03 N ATOM 1395 CA ARG A 89 9.236 0.024 5.022 1.00 63.33 C ATOM 1396 C ARG A 89 9.613 -1.290 5.728 1.00 54.00 C ATOM 1397 O ARG A 89 10.207 -1.281 6.807 1.00 10.24 O ATOM 1398 CB ARG A 89 10.410 1.022 5.095 1.00 33.23 C ATOM 1399 CG ARG A 89 10.248 2.241 4.188 1.00 73.45 C ATOM 1400 CD ARG A 89 10.256 1.857 2.708 1.00 71.11 C ATOM 1401 NE ARG A 89 11.545 1.308 2.283 1.00 1.34 N ATOM 1402 CZ ARG A 89 11.720 0.573 1.217 1.00 4.11 C ATOM 1403 NH1 ARG A 89 10.715 0.238 0.470 1.00 12.41 N ATOM 1404 NH2 ARG A 89 12.904 0.163 0.905 1.00 64.43 N ATOM 0 H ARG A 89 7.977 0.559 6.622 1.00 53.03 H new ATOM 0 HA ARG A 89 9.031 -0.193 3.974 1.00 63.33 H new ATOM 0 HB2 ARG A 89 10.522 1.361 6.125 1.00 33.23 H new ATOM 0 HB3 ARG A 89 11.331 0.504 4.828 1.00 33.23 H new ATOM 0 HG2 ARG A 89 9.313 2.749 4.426 1.00 73.45 H new ATOM 0 HG3 ARG A 89 11.054 2.948 4.384 1.00 73.45 H new ATOM 0 HD2 ARG A 89 9.472 1.123 2.521 1.00 71.11 H new ATOM 0 HD3 ARG A 89 10.021 2.735 2.106 1.00 71.11 H new ATOM 0 HE ARG A 89 12.362 1.513 2.858 1.00 1.34 H new ATOM 0 HH11 ARG A 89 9.774 0.549 0.712 1.00 12.41 H new ATOM 0 HH12 ARG A 89 10.865 -0.336 -0.360 1.00 12.41 H new ATOM 0 HH21 ARG A 89 13.701 0.413 1.490 1.00 64.43 H new ATOM 0 HH22 ARG A 89 13.042 -0.411 0.073 1.00 64.43 H new ATOM 1418 N GLU A 90 9.255 -2.414 5.114 1.00 44.51 N ATOM 1419 CA GLU A 90 9.537 -3.740 5.677 1.00 54.25 C ATOM 1420 C GLU A 90 11.000 -4.142 5.447 1.00 73.45 C ATOM 1421 O GLU A 90 11.618 -4.813 6.279 1.00 63.11 O ATOM 1422 CB GLU A 90 8.609 -4.780 5.034 1.00 70.41 C ATOM 1423 CG GLU A 90 7.124 -4.512 5.253 1.00 44.20 C ATOM 1424 CD GLU A 90 6.679 -4.759 6.685 1.00 34.21 C ATOM 1425 OE1 GLU A 90 6.293 -5.902 6.998 1.00 64.04 O ATOM 1426 OE2 GLU A 90 6.705 -3.815 7.499 1.00 74.53 O ATOM 0 H GLU A 90 8.765 -2.437 4.220 1.00 44.51 H new ATOM 0 HA GLU A 90 9.360 -3.699 6.752 1.00 54.25 H new ATOM 0 HB2 GLU A 90 8.807 -4.814 3.963 1.00 70.41 H new ATOM 0 HB3 GLU A 90 8.852 -5.764 5.434 1.00 70.41 H new ATOM 0 HG2 GLU A 90 6.904 -3.479 4.983 1.00 44.20 H new ATOM 0 HG3 GLU A 90 6.544 -5.147 4.584 1.00 44.20 H new ATOM 1433 N LEU A 91 11.545 -3.722 4.307 1.00 22.33 N ATOM 1434 CA LEU A 91 12.932 -4.030 3.941 1.00 13.24 C ATOM 1435 C LEU A 91 13.625 -2.794 3.349 1.00 12.12 C ATOM 1436 O LEU A 91 12.990 -1.969 2.691 1.00 23.41 O ATOM 1437 CB LEU A 91 12.995 -5.200 2.935 1.00 71.20 C ATOM 1438 CG LEU A 91 12.267 -4.982 1.587 1.00 20.44 C ATOM 1439 CD1 LEU A 91 12.739 -5.993 0.543 1.00 41.33 C ATOM 1440 CD2 LEU A 91 10.749 -5.072 1.758 1.00 72.42 C ATOM 0 H LEU A 91 11.046 -3.164 3.615 1.00 22.33 H new ATOM 0 HA LEU A 91 13.455 -4.327 4.850 1.00 13.24 H new ATOM 0 HB2 LEU A 91 14.043 -5.417 2.727 1.00 71.20 H new ATOM 0 HB3 LEU A 91 12.575 -6.085 3.412 1.00 71.20 H new ATOM 0 HG LEU A 91 12.515 -3.979 1.238 1.00 20.44 H new ATOM 0 HD11 LEU A 91 12.213 -5.819 -0.396 1.00 41.33 H new ATOM 0 HD12 LEU A 91 13.811 -5.879 0.384 1.00 41.33 H new ATOM 0 HD13 LEU A 91 12.530 -7.003 0.894 1.00 41.33 H new ATOM 0 HD21 LEU A 91 10.264 -4.915 0.794 1.00 72.42 H new ATOM 0 HD22 LEU A 91 10.484 -6.057 2.141 1.00 72.42 H new ATOM 0 HD23 LEU A 91 10.416 -4.308 2.461 1.00 72.42 H new ATOM 1452 N GLU A 92 14.926 -2.666 3.593 1.00 51.12 N ATOM 1453 CA GLU A 92 15.710 -1.553 3.054 1.00 62.24 C ATOM 1454 C GLU A 92 16.045 -1.780 1.569 1.00 70.34 C ATOM 1455 O GLU A 92 15.907 -2.891 1.050 1.00 64.45 O ATOM 1456 CB GLU A 92 17.013 -1.379 3.861 1.00 54.35 C ATOM 1457 CG GLU A 92 17.834 -0.155 3.454 1.00 53.42 C ATOM 1458 CD GLU A 92 19.234 -0.143 4.050 1.00 53.22 C ATOM 1459 OE1 GLU A 92 20.100 -0.889 3.545 1.00 43.51 O ATOM 1460 OE2 GLU A 92 19.479 0.632 5.000 1.00 30.10 O ATOM 0 H GLU A 92 15.463 -3.320 4.162 1.00 51.12 H new ATOM 0 HA GLU A 92 15.109 -0.647 3.138 1.00 62.24 H new ATOM 0 HB2 GLU A 92 16.766 -1.303 4.920 1.00 54.35 H new ATOM 0 HB3 GLU A 92 17.626 -2.272 3.740 1.00 54.35 H new ATOM 0 HG2 GLU A 92 17.909 -0.122 2.367 1.00 53.42 H new ATOM 0 HG3 GLU A 92 17.307 0.747 3.765 1.00 53.42 H new ATOM 1467 N HIS A 93 16.484 -0.716 0.892 1.00 32.41 N ATOM 1468 CA HIS A 93 16.974 -0.798 -0.490 1.00 22.01 C ATOM 1469 C HIS A 93 17.935 -1.989 -0.686 1.00 32.21 C ATOM 1470 O HIS A 93 17.980 -2.593 -1.762 1.00 12.00 O ATOM 1471 CB HIS A 93 17.670 0.523 -0.863 1.00 24.41 C ATOM 1472 CG HIS A 93 18.483 0.457 -2.119 1.00 74.41 C ATOM 1473 ND1 HIS A 93 19.851 0.295 -2.112 1.00 4.45 N ATOM 1474 CD2 HIS A 93 18.124 0.527 -3.426 1.00 55.31 C ATOM 1475 CE1 HIS A 93 20.296 0.267 -3.349 1.00 23.21 C ATOM 1476 NE2 HIS A 93 19.273 0.405 -4.164 1.00 71.44 N ATOM 0 H HIS A 93 16.511 0.225 1.284 1.00 32.41 H new ATOM 0 HA HIS A 93 16.121 -0.962 -1.148 1.00 22.01 H new ATOM 0 HB2 HIS A 93 16.914 1.300 -0.974 1.00 24.41 H new ATOM 0 HB3 HIS A 93 18.318 0.824 -0.040 1.00 24.41 H new ATOM 0 HD2 HIS A 93 17.123 0.655 -3.812 1.00 55.31 H new ATOM 0 HE1 HIS A 93 21.328 0.150 -3.646 1.00 23.21 H new ATOM 0 HE2 HIS A 93 19.326 0.419 -5.183 1.00 71.44 H new ATOM 1485 N HIS A 94 18.702 -2.311 0.354 1.00 13.43 N ATOM 1486 CA HIS A 94 19.589 -3.479 0.342 1.00 11.24 C ATOM 1487 C HIS A 94 19.304 -4.390 1.551 1.00 1.01 C ATOM 1488 O HIS A 94 19.659 -4.061 2.683 1.00 11.34 O ATOM 1489 CB HIS A 94 21.060 -3.034 0.347 1.00 22.13 C ATOM 1490 CG HIS A 94 22.034 -4.171 0.397 1.00 14.11 C ATOM 1491 ND1 HIS A 94 22.310 -4.975 -0.686 1.00 2.04 N ATOM 1492 CD2 HIS A 94 22.800 -4.641 1.411 1.00 22.14 C ATOM 1493 CE1 HIS A 94 23.199 -5.882 -0.346 1.00 33.51 C ATOM 1494 NE2 HIS A 94 23.515 -5.705 0.919 1.00 32.05 N ATOM 0 H HIS A 94 18.729 -1.777 1.223 1.00 13.43 H new ATOM 0 HA HIS A 94 19.397 -4.045 -0.570 1.00 11.24 H new ATOM 0 HB2 HIS A 94 21.254 -2.441 -0.547 1.00 22.13 H new ATOM 0 HB3 HIS A 94 21.230 -2.383 1.205 1.00 22.13 H new ATOM 0 HD1 HIS A 94 21.889 -4.881 -1.610 1.00 2.04 H new ATOM 0 HD2 HIS A 94 22.841 -4.252 2.418 1.00 22.14 H new ATOM 0 HE1 HIS A 94 23.602 -6.644 -0.996 1.00 33.51 H new ATOM 1503 N HIS A 95 18.654 -5.527 1.310 1.00 22.33 N ATOM 1504 CA HIS A 95 18.318 -6.462 2.394 1.00 62.04 C ATOM 1505 C HIS A 95 19.533 -7.318 2.813 1.00 12.33 C ATOM 1506 O HIS A 95 20.645 -7.119 2.321 1.00 34.21 O ATOM 1507 CB HIS A 95 17.137 -7.358 1.985 1.00 14.10 C ATOM 1508 CG HIS A 95 17.421 -8.285 0.842 1.00 2.45 C ATOM 1509 ND1 HIS A 95 17.457 -9.655 0.981 1.00 51.43 N ATOM 1510 CD2 HIS A 95 17.658 -8.042 -0.469 1.00 12.52 C ATOM 1511 CE1 HIS A 95 17.705 -10.208 -0.186 1.00 51.40 C ATOM 1512 NE2 HIS A 95 17.830 -9.254 -1.084 1.00 54.55 N ATOM 0 H HIS A 95 18.350 -5.826 0.384 1.00 22.33 H new ATOM 0 HA HIS A 95 18.025 -5.869 3.260 1.00 62.04 H new ATOM 0 HB2 HIS A 95 16.832 -7.950 2.848 1.00 14.10 H new ATOM 0 HB3 HIS A 95 16.292 -6.723 1.719 1.00 14.10 H new ATOM 0 HD2 HIS A 95 17.703 -7.072 -0.942 1.00 12.52 H new ATOM 0 HE1 HIS A 95 17.792 -11.268 -0.376 1.00 51.40 H new ATOM 0 HE2 HIS A 95 18.023 -9.394 -2.076 1.00 54.55 H new ATOM 1521 N HIS A 96 19.299 -8.267 3.722 1.00 1.30 N ATOM 1522 CA HIS A 96 20.360 -9.117 4.287 1.00 51.15 C ATOM 1523 C HIS A 96 21.273 -9.730 3.202 1.00 34.24 C ATOM 1524 O HIS A 96 20.796 -10.342 2.245 1.00 72.01 O ATOM 1525 CB HIS A 96 19.721 -10.232 5.128 1.00 75.42 C ATOM 1526 CG HIS A 96 20.705 -11.106 5.848 1.00 50.12 C ATOM 1527 ND1 HIS A 96 21.270 -10.763 7.057 1.00 53.14 N ATOM 1528 CD2 HIS A 96 21.222 -12.317 5.530 1.00 30.04 C ATOM 1529 CE1 HIS A 96 22.085 -11.717 7.450 1.00 52.00 C ATOM 1530 NE2 HIS A 96 22.077 -12.672 6.545 1.00 34.22 N ATOM 0 H HIS A 96 18.370 -8.471 4.090 1.00 1.30 H new ATOM 0 HA HIS A 96 20.992 -8.485 4.911 1.00 51.15 H new ATOM 0 HB2 HIS A 96 19.051 -9.780 5.860 1.00 75.42 H new ATOM 0 HB3 HIS A 96 19.108 -10.855 4.477 1.00 75.42 H new ATOM 0 HD2 HIS A 96 21.003 -12.895 4.644 1.00 30.04 H new ATOM 0 HE1 HIS A 96 22.664 -11.717 8.362 1.00 52.00 H new ATOM 0 HE2 HIS A 96 22.618 -13.536 6.590 1.00 34.22 H new ATOM 1539 N HIS A 97 22.588 -9.563 3.372 1.00 3.40 N ATOM 1540 CA HIS A 97 23.582 -10.090 2.417 1.00 2.22 C ATOM 1541 C HIS A 97 24.568 -11.070 3.076 1.00 51.12 C ATOM 1542 O HIS A 97 25.063 -11.984 2.422 1.00 14.21 O ATOM 1543 CB HIS A 97 24.363 -8.933 1.775 1.00 24.22 C ATOM 1544 CG HIS A 97 25.473 -9.386 0.866 1.00 43.43 C ATOM 1545 ND1 HIS A 97 26.767 -9.588 1.301 1.00 20.20 N ATOM 1546 CD2 HIS A 97 25.478 -9.686 -0.455 1.00 1.34 C ATOM 1547 CE1 HIS A 97 27.513 -9.988 0.294 1.00 72.12 C ATOM 1548 NE2 HIS A 97 26.758 -10.058 -0.781 1.00 23.31 N ATOM 0 H HIS A 97 22.995 -9.066 4.164 1.00 3.40 H new ATOM 0 HA HIS A 97 23.030 -10.639 1.654 1.00 2.22 H new ATOM 0 HB2 HIS A 97 23.672 -8.310 1.208 1.00 24.22 H new ATOM 0 HB3 HIS A 97 24.783 -8.308 2.563 1.00 24.22 H new ATOM 0 HD2 HIS A 97 24.633 -9.641 -1.126 1.00 1.34 H new ATOM 0 HE1 HIS A 97 28.567 -10.220 0.342 1.00 72.12 H new ATOM 0 HE2 HIS A 97 27.073 -10.343 -1.708 1.00 23.31 H new ATOM 1557 N HIS A 98 24.863 -10.865 4.361 1.00 44.53 N ATOM 1558 CA HIS A 98 25.857 -11.693 5.072 1.00 53.13 C ATOM 1559 C HIS A 98 25.406 -13.164 5.223 1.00 73.54 C ATOM 1560 O HIS A 98 25.800 -14.005 4.383 1.00 37.26 O ATOM 1561 CB HIS A 98 26.161 -11.093 6.452 1.00 4.44 C ATOM 1562 CG HIS A 98 26.851 -9.763 6.399 1.00 11.30 C ATOM 1563 ND1 HIS A 98 28.215 -9.632 6.278 1.00 3.11 N ATOM 1564 CD2 HIS A 98 26.361 -8.501 6.457 1.00 22.31 C ATOM 1565 CE1 HIS A 98 28.537 -8.357 6.262 1.00 63.42 C ATOM 1566 NE2 HIS A 98 27.432 -7.646 6.369 1.00 2.22 N ATOM 1567 OXT HIS A 98 24.662 -13.471 6.179 1.00 37.26 O ATOM 0 H HIS A 98 24.434 -10.138 4.934 1.00 44.53 H new ATOM 0 HA HIS A 98 26.762 -11.693 4.464 1.00 53.13 H new ATOM 0 HB2 HIS A 98 25.227 -10.985 7.004 1.00 4.44 H new ATOM 0 HB3 HIS A 98 26.783 -11.792 7.012 1.00 4.44 H new ATOM 0 HD2 HIS A 98 25.323 -8.220 6.554 1.00 22.31 H new ATOM 0 HE1 HIS A 98 29.538 -7.960 6.176 1.00 63.42 H new ATOM 0 HE2 HIS A 98 27.381 -6.627 6.384 1.00 2.22 H new TER 1576 HIS A 98