USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 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 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= -1.1 X(o=-1.1,f=-1.5) 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 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.5 K(o=-1.5,f=-4!) USER MOD Single : A 32 THR OG1 : rot -108:sc= -3.1! USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= 2.3 (180deg=1.41) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.691 K(o=0.69,f=-4!) USER MOD Single : A 56 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 66 THR OG1 : rot -41:sc= 1.01 USER MOD Single : A 67 ASN : amide:sc= 0.215 K(o=0.21,f=-9.6!) USER MOD Single : A 70 ASN : amide:sc= 0.381 K(o=0.38,f=-8.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 75 SER OG : rot 150:sc= -0.718 USER MOD Single : A 79 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.2) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 93 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.31) USER MOD Single : A 94 HIS : no HE2:sc= -0.0206 K(o=-0.021,f=-0.66) USER MOD Single : A 95 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.012) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0003) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.586 23.056 -41.222 1.00 20.50 N ATOM 2 CA GLY A 1 -42.815 22.536 -39.843 1.00 21.10 C ATOM 3 C GLY A 1 -41.535 22.061 -39.162 1.00 3.01 C ATOM 4 O GLY A 1 -40.689 21.427 -39.792 1.00 72.33 O ATOM 0 H1 GLY A 1 -43.491 23.363 -41.632 1.00 20.50 H new ATOM 0 H2 GLY A 1 -41.931 23.863 -41.184 1.00 20.50 H new ATOM 0 H3 GLY A 1 -42.176 22.305 -41.813 1.00 20.50 H new ATOM 0 HA2 GLY A 1 -43.273 23.318 -39.238 1.00 21.10 H new ATOM 0 HA3 GLY A 1 -43.525 21.710 -39.886 1.00 21.10 H new ATOM 10 N ASP A 2 -41.397 22.356 -37.870 1.00 74.21 N ATOM 11 CA ASP A 2 -40.192 21.995 -37.110 1.00 22.15 C ATOM 12 C ASP A 2 -40.505 21.016 -35.967 1.00 3.51 C ATOM 13 O ASP A 2 -41.373 21.276 -35.128 1.00 22.12 O ATOM 14 CB ASP A 2 -39.534 23.259 -36.544 1.00 4.13 C ATOM 15 CG ASP A 2 -38.358 22.941 -35.632 1.00 53.32 C ATOM 16 OD1 ASP A 2 -37.256 22.681 -36.149 1.00 12.33 O ATOM 17 OD2 ASP A 2 -38.537 22.944 -34.392 1.00 44.25 O ATOM 0 H ASP A 2 -42.105 22.846 -37.323 1.00 74.21 H new ATOM 0 HA ASP A 2 -39.507 21.496 -37.796 1.00 22.15 H new ATOM 0 HB2 ASP A 2 -39.193 23.887 -37.367 1.00 4.13 H new ATOM 0 HB3 ASP A 2 -40.275 23.834 -35.989 1.00 4.13 H new ATOM 22 N ARG A 3 -39.792 19.896 -35.937 1.00 31.10 N ATOM 23 CA ARG A 3 -39.886 18.946 -34.826 1.00 21.30 C ATOM 24 C ARG A 3 -38.583 18.147 -34.676 1.00 1.41 C ATOM 25 O ARG A 3 -37.928 17.812 -35.663 1.00 72.33 O ATOM 26 CB ARG A 3 -41.110 18.019 -34.997 1.00 20.01 C ATOM 27 CG ARG A 3 -41.200 17.277 -36.337 1.00 54.44 C ATOM 28 CD ARG A 3 -40.307 16.039 -36.387 1.00 10.35 C ATOM 29 NE ARG A 3 -40.604 15.093 -35.311 1.00 62.14 N ATOM 30 CZ ARG A 3 -40.132 13.877 -35.257 1.00 51.04 C ATOM 31 NH1 ARG A 3 -39.377 13.419 -36.205 1.00 41.33 N ATOM 32 NH2 ARG A 3 -40.424 13.121 -34.251 1.00 22.30 N ATOM 0 H ARG A 3 -39.139 19.620 -36.670 1.00 31.10 H new ATOM 0 HA ARG A 3 -40.030 19.510 -33.904 1.00 21.30 H new ATOM 0 HB2 ARG A 3 -41.099 17.282 -34.194 1.00 20.01 H new ATOM 0 HB3 ARG A 3 -42.014 18.614 -34.871 1.00 20.01 H new ATOM 0 HG2 ARG A 3 -42.234 16.981 -36.515 1.00 54.44 H new ATOM 0 HG3 ARG A 3 -40.919 17.955 -37.143 1.00 54.44 H new ATOM 0 HD2 ARG A 3 -40.433 15.542 -37.349 1.00 10.35 H new ATOM 0 HD3 ARG A 3 -39.263 16.345 -36.320 1.00 10.35 H new ATOM 0 HE ARG A 3 -41.217 15.403 -34.557 1.00 62.14 H new ATOM 0 HH11 ARG A 3 -39.146 14.010 -37.004 1.00 41.33 H new ATOM 0 HH12 ARG A 3 -39.014 12.467 -36.153 1.00 41.33 H new ATOM 0 HH21 ARG A 3 -41.021 13.475 -33.503 1.00 22.30 H new ATOM 0 HH22 ARG A 3 -40.058 12.170 -34.204 1.00 22.30 H new ATOM 46 N ARG A 4 -38.206 17.852 -33.436 1.00 2.34 N ATOM 47 CA ARG A 4 -36.955 17.140 -33.150 1.00 42.34 C ATOM 48 C ARG A 4 -37.211 15.863 -32.339 1.00 44.20 C ATOM 49 O ARG A 4 -38.324 15.624 -31.866 1.00 44.51 O ATOM 50 CB ARG A 4 -35.981 18.067 -32.404 1.00 54.34 C ATOM 51 CG ARG A 4 -35.585 19.303 -33.205 1.00 3.04 C ATOM 52 CD ARG A 4 -34.622 20.205 -32.440 1.00 24.34 C ATOM 53 NE ARG A 4 -35.237 20.799 -31.248 1.00 53.34 N ATOM 54 CZ ARG A 4 -35.169 22.072 -30.944 1.00 65.12 C ATOM 55 NH1 ARG A 4 -34.621 22.922 -31.755 1.00 44.03 N ATOM 56 NH2 ARG A 4 -35.677 22.505 -29.837 1.00 1.34 N ATOM 0 H ARG A 4 -38.748 18.094 -32.607 1.00 2.34 H new ATOM 0 HA ARG A 4 -36.508 16.844 -34.099 1.00 42.34 H new ATOM 0 HB2 ARG A 4 -36.438 18.382 -31.466 1.00 54.34 H new ATOM 0 HB3 ARG A 4 -35.082 17.506 -32.148 1.00 54.34 H new ATOM 0 HG2 ARG A 4 -35.122 18.993 -34.142 1.00 3.04 H new ATOM 0 HG3 ARG A 4 -36.481 19.868 -33.464 1.00 3.04 H new ATOM 0 HD2 ARG A 4 -33.746 19.628 -32.144 1.00 24.34 H new ATOM 0 HD3 ARG A 4 -34.272 21.000 -33.099 1.00 24.34 H new ATOM 0 HE ARG A 4 -35.749 20.183 -30.617 1.00 53.34 H new ATOM 0 HH11 ARG A 4 -34.235 22.603 -32.644 1.00 44.03 H new ATOM 0 HH12 ARG A 4 -34.576 23.910 -31.504 1.00 44.03 H new ATOM 0 HH21 ARG A 4 -36.133 21.855 -29.196 1.00 1.34 H new ATOM 0 HH22 ARG A 4 -35.622 23.497 -29.604 1.00 1.34 H new ATOM 70 N VAL A 5 -36.170 15.052 -32.181 1.00 62.10 N ATOM 71 CA VAL A 5 -36.271 13.769 -31.476 1.00 72.54 C ATOM 72 C VAL A 5 -35.128 13.618 -30.456 1.00 74.34 C ATOM 73 O VAL A 5 -34.137 14.349 -30.517 1.00 71.53 O ATOM 74 CB VAL A 5 -36.228 12.591 -32.494 1.00 52.00 C ATOM 75 CG1 VAL A 5 -34.873 12.535 -33.204 1.00 73.54 C ATOM 76 CG2 VAL A 5 -36.553 11.256 -31.823 1.00 45.14 C ATOM 0 H VAL A 5 -35.236 15.259 -32.534 1.00 62.10 H new ATOM 0 HA VAL A 5 -37.221 13.746 -30.942 1.00 72.54 H new ATOM 0 HB VAL A 5 -36.998 12.774 -33.244 1.00 52.00 H new ATOM 0 HG11 VAL A 5 -34.866 11.705 -33.910 1.00 73.54 H new ATOM 0 HG12 VAL A 5 -34.704 13.469 -33.740 1.00 73.54 H new ATOM 0 HG13 VAL A 5 -34.082 12.392 -32.468 1.00 73.54 H new ATOM 0 HG21 VAL A 5 -36.514 10.457 -32.564 1.00 45.14 H new ATOM 0 HG22 VAL A 5 -35.825 11.058 -31.036 1.00 45.14 H new ATOM 0 HG23 VAL A 5 -37.552 11.300 -31.390 1.00 45.14 H new ATOM 86 N ARG A 6 -35.271 12.691 -29.511 1.00 65.21 N ATOM 87 CA ARG A 6 -34.206 12.405 -28.543 1.00 24.52 C ATOM 88 C ARG A 6 -33.094 11.553 -29.178 1.00 62.15 C ATOM 89 O ARG A 6 -33.329 10.416 -29.592 1.00 1.50 O ATOM 90 CB ARG A 6 -34.773 11.675 -27.318 1.00 1.14 C ATOM 91 CG ARG A 6 -35.752 12.499 -26.489 1.00 11.41 C ATOM 92 CD ARG A 6 -36.267 11.704 -25.292 1.00 24.10 C ATOM 93 NE ARG A 6 -37.118 12.501 -24.411 1.00 65.24 N ATOM 94 CZ ARG A 6 -37.438 12.152 -23.194 1.00 13.42 C ATOM 95 NH1 ARG A 6 -37.023 11.032 -22.698 1.00 23.41 N ATOM 96 NH2 ARG A 6 -38.177 12.926 -22.471 1.00 64.00 N ATOM 0 H ARG A 6 -36.111 12.124 -29.392 1.00 65.21 H new ATOM 0 HA ARG A 6 -33.781 13.358 -28.230 1.00 24.52 H new ATOM 0 HB2 ARG A 6 -35.274 10.766 -27.652 1.00 1.14 H new ATOM 0 HB3 ARG A 6 -33.945 11.366 -26.679 1.00 1.14 H new ATOM 0 HG2 ARG A 6 -35.262 13.409 -26.141 1.00 11.41 H new ATOM 0 HG3 ARG A 6 -36.591 12.807 -27.113 1.00 11.41 H new ATOM 0 HD2 ARG A 6 -36.828 10.840 -25.649 1.00 24.10 H new ATOM 0 HD3 ARG A 6 -35.420 11.321 -24.723 1.00 24.10 H new ATOM 0 HE ARG A 6 -37.484 13.383 -24.768 1.00 65.24 H new ATOM 0 HH11 ARG A 6 -36.439 10.411 -23.259 1.00 23.41 H new ATOM 0 HH12 ARG A 6 -37.279 10.770 -21.746 1.00 23.41 H new ATOM 0 HH21 ARG A 6 -38.512 13.812 -22.850 1.00 64.00 H new ATOM 0 HH22 ARG A 6 -38.426 12.652 -21.521 1.00 64.00 H new ATOM 110 N LEU A 7 -31.881 12.096 -29.235 1.00 3.22 N ATOM 111 CA LEU A 7 -30.723 11.364 -29.767 1.00 35.12 C ATOM 112 C LEU A 7 -30.102 10.462 -28.682 1.00 33.23 C ATOM 113 O LEU A 7 -28.880 10.316 -28.589 1.00 11.31 O ATOM 114 CB LEU A 7 -29.668 12.346 -30.314 1.00 75.32 C ATOM 115 CG LEU A 7 -30.057 13.111 -31.598 1.00 52.02 C ATOM 116 CD1 LEU A 7 -31.203 14.086 -31.344 1.00 1.52 C ATOM 117 CD2 LEU A 7 -28.848 13.846 -32.169 1.00 12.33 C ATOM 0 H LEU A 7 -31.669 13.043 -28.920 1.00 3.22 H new ATOM 0 HA LEU A 7 -31.067 10.731 -30.585 1.00 35.12 H new ATOM 0 HB2 LEU A 7 -29.440 13.074 -29.536 1.00 75.32 H new ATOM 0 HB3 LEU A 7 -28.750 11.791 -30.509 1.00 75.32 H new ATOM 0 HG LEU A 7 -30.400 12.379 -32.328 1.00 52.02 H new ATOM 0 HD11 LEU A 7 -31.450 14.606 -32.269 1.00 1.52 H new ATOM 0 HD12 LEU A 7 -32.077 13.537 -30.992 1.00 1.52 H new ATOM 0 HD13 LEU A 7 -30.902 14.812 -30.589 1.00 1.52 H new ATOM 0 HD21 LEU A 7 -29.140 14.380 -33.073 1.00 12.33 H new ATOM 0 HD22 LEU A 7 -28.474 14.557 -31.433 1.00 12.33 H new ATOM 0 HD23 LEU A 7 -28.065 13.127 -32.409 1.00 12.33 H new ATOM 129 N ILE A 8 -30.961 9.845 -27.873 1.00 53.43 N ATOM 130 CA ILE A 8 -30.524 8.992 -26.765 1.00 52.22 C ATOM 131 C ILE A 8 -29.924 7.669 -27.268 1.00 63.34 C ATOM 132 O ILE A 8 -30.540 6.948 -28.058 1.00 60.44 O ATOM 133 CB ILE A 8 -31.697 8.698 -25.791 1.00 61.34 C ATOM 134 CG1 ILE A 8 -31.245 7.754 -24.660 1.00 53.43 C ATOM 135 CG2 ILE A 8 -32.900 8.118 -26.541 1.00 72.11 C ATOM 136 CD1 ILE A 8 -32.335 7.425 -23.660 1.00 33.22 C ATOM 0 H ILE A 8 -31.974 9.920 -27.964 1.00 53.43 H new ATOM 0 HA ILE A 8 -29.747 9.539 -26.231 1.00 52.22 H new ATOM 0 HB ILE A 8 -32.007 9.641 -25.341 1.00 61.34 H new ATOM 0 HG12 ILE A 8 -30.877 6.827 -25.100 1.00 53.43 H new ATOM 0 HG13 ILE A 8 -30.408 8.211 -24.132 1.00 53.43 H new ATOM 0 HG21 ILE A 8 -33.708 7.921 -25.836 1.00 72.11 H new ATOM 0 HG22 ILE A 8 -33.239 8.832 -27.292 1.00 72.11 H new ATOM 0 HG23 ILE A 8 -32.610 7.188 -27.030 1.00 72.11 H new ATOM 0 HD11 ILE A 8 -31.938 6.756 -22.896 1.00 33.22 H new ATOM 0 HD12 ILE A 8 -32.687 8.343 -23.191 1.00 33.22 H new ATOM 0 HD13 ILE A 8 -33.164 6.938 -24.173 1.00 33.22 H new ATOM 148 N ARG A 9 -28.717 7.354 -26.812 1.00 34.33 N ATOM 149 CA ARG A 9 -28.047 6.113 -27.203 1.00 74.04 C ATOM 150 C ARG A 9 -28.269 5.022 -26.147 1.00 62.13 C ATOM 151 O ARG A 9 -27.550 4.953 -25.150 1.00 63.30 O ATOM 152 CB ARG A 9 -26.543 6.353 -27.407 1.00 3.11 C ATOM 153 CG ARG A 9 -26.212 7.541 -28.310 1.00 74.53 C ATOM 154 CD ARG A 9 -26.879 7.434 -29.680 1.00 11.32 C ATOM 155 NE ARG A 9 -26.461 8.514 -30.568 1.00 45.54 N ATOM 156 CZ ARG A 9 -27.245 9.133 -31.407 1.00 65.42 C ATOM 157 NH1 ARG A 9 -28.503 8.829 -31.505 1.00 35.35 N ATOM 158 NH2 ARG A 9 -26.760 10.068 -32.155 1.00 13.21 N ATOM 0 H ARG A 9 -28.180 7.939 -26.171 1.00 34.33 H new ATOM 0 HA ARG A 9 -28.478 5.777 -28.146 1.00 74.04 H new ATOM 0 HB2 ARG A 9 -26.077 6.510 -26.434 1.00 3.11 H new ATOM 0 HB3 ARG A 9 -26.098 5.453 -27.832 1.00 3.11 H new ATOM 0 HG2 ARG A 9 -26.531 8.463 -27.824 1.00 74.53 H new ATOM 0 HG3 ARG A 9 -25.132 7.606 -28.439 1.00 74.53 H new ATOM 0 HD2 ARG A 9 -26.630 6.474 -30.132 1.00 11.32 H new ATOM 0 HD3 ARG A 9 -27.962 7.459 -29.561 1.00 11.32 H new ATOM 0 HE ARG A 9 -25.484 8.806 -30.530 1.00 45.54 H new ATOM 0 HH11 ARG A 9 -28.897 8.093 -30.919 1.00 35.35 H new ATOM 0 HH12 ARG A 9 -29.098 9.326 -32.168 1.00 35.35 H new ATOM 0 HH21 ARG A 9 -25.773 10.316 -32.086 1.00 13.21 H new ATOM 0 HH22 ARG A 9 -27.364 10.558 -32.814 1.00 13.21 H new ATOM 172 N THR A 10 -29.279 4.185 -26.363 1.00 24.41 N ATOM 173 CA THR A 10 -29.614 3.116 -25.415 1.00 41.43 C ATOM 174 C THR A 10 -28.512 2.043 -25.374 1.00 60.43 C ATOM 175 O THR A 10 -28.553 1.057 -26.116 1.00 54.41 O ATOM 176 CB THR A 10 -30.977 2.459 -25.759 1.00 75.23 C ATOM 177 OG1 THR A 10 -32.009 3.461 -25.815 1.00 33.01 O ATOM 178 CG2 THR A 10 -31.360 1.401 -24.728 1.00 64.22 C ATOM 0 H THR A 10 -29.882 4.222 -27.185 1.00 24.41 H new ATOM 0 HA THR A 10 -29.691 3.576 -24.430 1.00 41.43 H new ATOM 0 HB THR A 10 -30.876 1.976 -26.731 1.00 75.23 H new ATOM 0 HG1 THR A 10 -32.865 3.037 -26.034 1.00 33.01 H new ATOM 0 HG21 THR A 10 -32.320 0.960 -24.998 1.00 64.22 H new ATOM 0 HG22 THR A 10 -30.597 0.623 -24.704 1.00 64.22 H new ATOM 0 HG23 THR A 10 -31.437 1.863 -23.744 1.00 64.22 H new ATOM 186 N ARG A 11 -27.514 2.259 -24.516 1.00 3.04 N ATOM 187 CA ARG A 11 -26.373 1.342 -24.392 1.00 71.00 C ATOM 188 C ARG A 11 -26.569 0.319 -23.268 1.00 15.34 C ATOM 189 O ARG A 11 -27.286 0.566 -22.296 1.00 31.13 O ATOM 190 CB ARG A 11 -25.077 2.120 -24.111 1.00 65.45 C ATOM 191 CG ARG A 11 -24.589 2.990 -25.266 1.00 24.34 C ATOM 192 CD ARG A 11 -23.189 3.536 -24.994 1.00 23.11 C ATOM 193 NE ARG A 11 -22.248 2.464 -24.664 1.00 45.13 N ATOM 194 CZ ARG A 11 -20.959 2.618 -24.525 1.00 44.10 C ATOM 195 NH1 ARG A 11 -20.396 3.770 -24.720 1.00 74.35 N ATOM 196 NH2 ARG A 11 -20.234 1.601 -24.201 1.00 53.52 N ATOM 0 H ARG A 11 -27.470 3.065 -23.892 1.00 3.04 H new ATOM 0 HA ARG A 11 -26.303 0.813 -25.343 1.00 71.00 H new ATOM 0 HB2 ARG A 11 -25.232 2.754 -23.238 1.00 65.45 H new ATOM 0 HB3 ARG A 11 -24.292 1.409 -23.853 1.00 65.45 H new ATOM 0 HG2 ARG A 11 -24.582 2.406 -26.186 1.00 24.34 H new ATOM 0 HG3 ARG A 11 -25.282 3.818 -25.419 1.00 24.34 H new ATOM 0 HD2 ARG A 11 -22.832 4.077 -25.870 1.00 23.11 H new ATOM 0 HD3 ARG A 11 -23.230 4.251 -24.172 1.00 23.11 H new ATOM 0 HE ARG A 11 -22.628 1.527 -24.533 1.00 45.13 H new ATOM 0 HH11 ARG A 11 -20.962 4.576 -24.987 1.00 74.35 H new ATOM 0 HH12 ARG A 11 -19.387 3.870 -24.606 1.00 74.35 H new ATOM 0 HH21 ARG A 11 -20.669 0.690 -24.057 1.00 53.52 H new ATOM 0 HH22 ARG A 11 -19.226 1.708 -24.089 1.00 53.52 H new ATOM 210 N GLY A 12 -25.917 -0.831 -23.413 1.00 23.54 N ATOM 211 CA GLY A 12 -25.878 -1.827 -22.346 1.00 44.33 C ATOM 212 C GLY A 12 -24.474 -1.998 -21.768 1.00 21.33 C ATOM 213 O GLY A 12 -23.657 -1.071 -21.817 1.00 60.41 O ATOM 0 H GLY A 12 -25.409 -1.096 -24.257 1.00 23.54 H new ATOM 0 HA2 GLY A 12 -26.563 -1.532 -21.551 1.00 44.33 H new ATOM 0 HA3 GLY A 12 -26.230 -2.784 -22.731 1.00 44.33 H new ATOM 217 N GLY A 13 -24.186 -3.172 -21.214 1.00 15.04 N ATOM 218 CA GLY A 13 -22.859 -3.434 -20.663 1.00 72.23 C ATOM 219 C GLY A 13 -22.845 -4.528 -19.598 1.00 35.43 C ATOM 220 O GLY A 13 -23.835 -4.736 -18.893 1.00 0.05 O ATOM 0 H GLY A 13 -24.843 -3.948 -21.135 1.00 15.04 H new ATOM 0 HA2 GLY A 13 -22.188 -3.719 -21.473 1.00 72.23 H new ATOM 0 HA3 GLY A 13 -22.465 -2.514 -20.232 1.00 72.23 H new ATOM 224 N ASN A 14 -21.712 -5.215 -19.474 1.00 52.24 N ATOM 225 CA ASN A 14 -21.562 -6.316 -18.515 1.00 55.14 C ATOM 226 C ASN A 14 -20.169 -6.270 -17.854 1.00 20.10 C ATOM 227 O ASN A 14 -19.313 -5.480 -18.259 1.00 24.12 O ATOM 228 CB ASN A 14 -21.793 -7.659 -19.237 1.00 11.03 C ATOM 229 CG ASN A 14 -21.789 -8.856 -18.304 1.00 0.41 C ATOM 230 OD1 ASN A 14 -20.763 -9.492 -18.094 1.00 63.32 O ATOM 231 ND2 ASN A 14 -22.930 -9.168 -17.729 1.00 25.41 N ATOM 0 H ASN A 14 -20.876 -5.030 -20.029 1.00 52.24 H new ATOM 0 HA ASN A 14 -22.305 -6.212 -17.724 1.00 55.14 H new ATOM 0 HB2 ASN A 14 -22.747 -7.621 -19.762 1.00 11.03 H new ATOM 0 HB3 ASN A 14 -21.019 -7.794 -19.992 1.00 11.03 H new ATOM 0 HD21 ASN A 14 -22.978 -9.959 -17.087 1.00 25.41 H new ATOM 0 HD22 ASN A 14 -23.767 -8.618 -17.925 1.00 25.41 H new ATOM 238 N THR A 15 -19.963 -7.092 -16.822 1.00 45.43 N ATOM 239 CA THR A 15 -18.671 -7.172 -16.118 1.00 4.30 C ATOM 240 C THR A 15 -17.484 -7.310 -17.088 1.00 21.23 C ATOM 241 O THR A 15 -17.420 -8.246 -17.891 1.00 64.21 O ATOM 242 CB THR A 15 -18.642 -8.363 -15.126 1.00 64.31 C ATOM 243 OG1 THR A 15 -19.682 -8.216 -14.143 1.00 43.40 O ATOM 244 CG2 THR A 15 -17.290 -8.468 -14.418 1.00 44.24 C ATOM 0 H THR A 15 -20.677 -7.718 -16.450 1.00 45.43 H new ATOM 0 HA THR A 15 -18.570 -6.234 -15.572 1.00 4.30 H new ATOM 0 HB THR A 15 -18.804 -9.274 -15.702 1.00 64.31 H new ATOM 0 HG1 THR A 15 -19.656 -8.974 -13.523 1.00 43.40 H new ATOM 0 HG21 THR A 15 -17.304 -9.313 -13.730 1.00 44.24 H new ATOM 0 HG22 THR A 15 -16.503 -8.615 -15.157 1.00 44.24 H new ATOM 0 HG23 THR A 15 -17.098 -7.550 -13.862 1.00 44.24 H new ATOM 252 N LYS A 16 -16.550 -6.368 -17.008 1.00 44.14 N ATOM 253 CA LYS A 16 -15.347 -6.377 -17.849 1.00 3.21 C ATOM 254 C LYS A 16 -14.148 -6.984 -17.098 1.00 30.24 C ATOM 255 O LYS A 16 -14.301 -7.557 -16.018 1.00 15.32 O ATOM 256 CB LYS A 16 -15.009 -4.943 -18.278 1.00 13.55 C ATOM 257 CG LYS A 16 -16.074 -4.276 -19.145 1.00 11.35 C ATOM 258 CD LYS A 16 -15.752 -2.799 -19.389 1.00 33.10 C ATOM 259 CE LYS A 16 -14.397 -2.608 -20.069 1.00 55.22 C ATOM 260 NZ LYS A 16 -13.999 -1.174 -20.127 1.00 34.41 N ATOM 0 H LYS A 16 -16.600 -5.579 -16.364 1.00 44.14 H new ATOM 0 HA LYS A 16 -15.549 -6.991 -18.727 1.00 3.21 H new ATOM 0 HB2 LYS A 16 -14.853 -4.337 -17.385 1.00 13.55 H new ATOM 0 HB3 LYS A 16 -14.066 -4.953 -18.825 1.00 13.55 H new ATOM 0 HG2 LYS A 16 -16.146 -4.797 -20.100 1.00 11.35 H new ATOM 0 HG3 LYS A 16 -17.046 -4.363 -18.660 1.00 11.35 H new ATOM 0 HD2 LYS A 16 -16.533 -2.356 -20.008 1.00 33.10 H new ATOM 0 HD3 LYS A 16 -15.758 -2.266 -18.438 1.00 33.10 H new ATOM 0 HE2 LYS A 16 -13.638 -3.173 -19.529 1.00 55.22 H new ATOM 0 HE3 LYS A 16 -14.438 -3.014 -21.080 1.00 55.22 H new ATOM 0 HZ1 LYS A 16 -13.074 -1.089 -20.596 1.00 34.41 H new ATOM 0 HZ2 LYS A 16 -14.710 -0.638 -20.664 1.00 34.41 H new ATOM 0 HZ3 LYS A 16 -13.934 -0.792 -19.162 1.00 34.41 H new ATOM 274 N VAL A 17 -12.955 -6.870 -17.683 1.00 53.15 N ATOM 275 CA VAL A 17 -11.725 -7.287 -17.005 1.00 3.22 C ATOM 276 C VAL A 17 -11.422 -6.371 -15.803 1.00 42.33 C ATOM 277 O VAL A 17 -11.445 -5.143 -15.918 1.00 71.11 O ATOM 278 CB VAL A 17 -10.512 -7.306 -17.976 1.00 13.30 C ATOM 279 CG1 VAL A 17 -10.292 -5.935 -18.617 1.00 32.22 C ATOM 280 CG2 VAL A 17 -9.245 -7.791 -17.263 1.00 41.22 C ATOM 0 H VAL A 17 -12.813 -6.494 -18.621 1.00 53.15 H new ATOM 0 HA VAL A 17 -11.886 -8.303 -16.644 1.00 3.22 H new ATOM 0 HB VAL A 17 -10.738 -8.012 -18.775 1.00 13.30 H new ATOM 0 HG11 VAL A 17 -9.436 -5.981 -19.291 1.00 32.22 H new ATOM 0 HG12 VAL A 17 -11.181 -5.649 -19.179 1.00 32.22 H new ATOM 0 HG13 VAL A 17 -10.101 -5.196 -17.839 1.00 32.22 H new ATOM 0 HG21 VAL A 17 -8.411 -7.795 -17.965 1.00 41.22 H new ATOM 0 HG22 VAL A 17 -9.017 -7.123 -16.432 1.00 41.22 H new ATOM 0 HG23 VAL A 17 -9.405 -8.800 -16.884 1.00 41.22 H new ATOM 290 N ARG A 18 -11.154 -6.973 -14.646 1.00 24.42 N ATOM 291 CA ARG A 18 -10.932 -6.202 -13.413 1.00 53.02 C ATOM 292 C ARG A 18 -9.621 -5.389 -13.438 1.00 3.40 C ATOM 293 O ARG A 18 -9.512 -4.371 -12.752 1.00 24.32 O ATOM 294 CB ARG A 18 -10.999 -7.123 -12.173 1.00 72.20 C ATOM 295 CG ARG A 18 -10.223 -8.441 -12.284 1.00 44.45 C ATOM 296 CD ARG A 18 -8.709 -8.256 -12.162 1.00 52.35 C ATOM 297 NE ARG A 18 -8.319 -7.644 -10.889 1.00 3.45 N ATOM 298 CZ ARG A 18 -7.092 -7.610 -10.435 1.00 53.23 C ATOM 299 NH1 ARG A 18 -6.130 -8.191 -11.076 1.00 22.43 N ATOM 300 NH2 ARG A 18 -6.829 -7.008 -9.326 1.00 12.43 N ATOM 0 H ARG A 18 -11.085 -7.984 -14.531 1.00 24.42 H new ATOM 0 HA ARG A 18 -11.739 -5.472 -13.349 1.00 53.02 H new ATOM 0 HB2 ARG A 18 -10.622 -6.571 -11.312 1.00 72.20 H new ATOM 0 HB3 ARG A 18 -12.045 -7.354 -11.970 1.00 72.20 H new ATOM 0 HG2 ARG A 18 -10.564 -9.124 -11.505 1.00 44.45 H new ATOM 0 HG3 ARG A 18 -10.450 -8.910 -13.241 1.00 44.45 H new ATOM 0 HD2 ARG A 18 -8.219 -9.224 -12.261 1.00 52.35 H new ATOM 0 HD3 ARG A 18 -8.355 -7.634 -12.984 1.00 52.35 H new ATOM 0 HE ARG A 18 -9.050 -7.217 -10.320 1.00 3.45 H new ATOM 0 HH11 ARG A 18 -6.323 -8.684 -11.948 1.00 22.43 H new ATOM 0 HH12 ARG A 18 -5.179 -8.156 -10.710 1.00 22.43 H new ATOM 0 HH21 ARG A 18 -7.578 -6.557 -8.800 1.00 12.43 H new ATOM 0 HH22 ARG A 18 -5.872 -6.983 -8.974 1.00 12.43 H new ATOM 314 N LEU A 19 -8.641 -5.827 -14.233 1.00 73.41 N ATOM 315 CA LEU A 19 -7.340 -5.142 -14.306 1.00 10.23 C ATOM 316 C LEU A 19 -6.419 -5.800 -15.350 1.00 52.22 C ATOM 317 O LEU A 19 -6.323 -7.027 -15.425 1.00 53.32 O ATOM 318 CB LEU A 19 -6.671 -5.144 -12.915 1.00 71.01 C ATOM 319 CG LEU A 19 -5.466 -4.197 -12.727 1.00 71.21 C ATOM 320 CD1 LEU A 19 -5.298 -3.845 -11.251 1.00 5.34 C ATOM 321 CD2 LEU A 19 -4.175 -4.820 -13.258 1.00 21.22 C ATOM 0 H LEU A 19 -8.719 -6.648 -14.833 1.00 73.41 H new ATOM 0 HA LEU A 19 -7.510 -4.112 -14.620 1.00 10.23 H new ATOM 0 HB2 LEU A 19 -7.427 -4.886 -12.173 1.00 71.01 H new ATOM 0 HB3 LEU A 19 -6.343 -6.160 -12.696 1.00 71.01 H new ATOM 0 HG LEU A 19 -5.666 -3.290 -13.298 1.00 71.21 H new ATOM 0 HD11 LEU A 19 -4.445 -3.177 -11.131 1.00 5.34 H new ATOM 0 HD12 LEU A 19 -6.200 -3.351 -10.890 1.00 5.34 H new ATOM 0 HD13 LEU A 19 -5.129 -4.756 -10.677 1.00 5.34 H new ATOM 0 HD21 LEU A 19 -3.348 -4.126 -13.109 1.00 21.22 H new ATOM 0 HD22 LEU A 19 -3.971 -5.747 -12.722 1.00 21.22 H new ATOM 0 HD23 LEU A 19 -4.284 -5.032 -14.322 1.00 21.22 H new ATOM 333 N ALA A 20 -5.754 -4.974 -16.159 1.00 52.25 N ATOM 334 CA ALA A 20 -4.765 -5.460 -17.134 1.00 65.22 C ATOM 335 C ALA A 20 -3.340 -5.034 -16.738 1.00 5.14 C ATOM 336 O ALA A 20 -2.480 -5.871 -16.456 1.00 54.01 O ATOM 337 CB ALA A 20 -5.110 -4.949 -18.529 1.00 2.23 C ATOM 0 H ALA A 20 -5.880 -3.962 -16.161 1.00 52.25 H new ATOM 0 HA ALA A 20 -4.797 -6.550 -17.140 1.00 65.22 H new ATOM 0 HB1 ALA A 20 -4.372 -5.314 -19.243 1.00 2.23 H new ATOM 0 HB2 ALA A 20 -6.099 -5.308 -18.814 1.00 2.23 H new ATOM 0 HB3 ALA A 20 -5.106 -3.859 -18.529 1.00 2.23 H new ATOM 343 N SER A 21 -3.099 -3.725 -16.713 1.00 14.02 N ATOM 344 CA SER A 21 -1.796 -3.167 -16.302 1.00 73.11 C ATOM 345 C SER A 21 -2.004 -1.917 -15.436 1.00 13.55 C ATOM 346 O SER A 21 -1.096 -1.101 -15.256 1.00 71.41 O ATOM 347 CB SER A 21 -0.949 -2.809 -17.535 1.00 33.13 C ATOM 348 OG SER A 21 -1.555 -1.775 -18.298 1.00 65.14 O ATOM 0 H SER A 21 -3.789 -3.020 -16.973 1.00 14.02 H new ATOM 0 HA SER A 21 -1.268 -3.922 -15.720 1.00 73.11 H new ATOM 0 HB2 SER A 21 0.045 -2.494 -17.217 1.00 33.13 H new ATOM 0 HB3 SER A 21 -0.818 -3.694 -18.158 1.00 33.13 H new ATOM 0 HG SER A 21 -0.993 -1.568 -19.074 1.00 65.14 H new ATOM 354 N ASP A 22 -3.203 -1.803 -14.878 1.00 53.33 N ATOM 355 CA ASP A 22 -3.649 -0.601 -14.164 1.00 65.44 C ATOM 356 C ASP A 22 -3.417 -0.718 -12.646 1.00 34.34 C ATOM 357 O ASP A 22 -4.126 -0.094 -11.851 1.00 2.13 O ATOM 358 CB ASP A 22 -5.144 -0.402 -14.449 1.00 3.33 C ATOM 359 CG ASP A 22 -5.504 -0.703 -15.897 1.00 21.52 C ATOM 360 OD1 ASP A 22 -5.512 -1.900 -16.274 1.00 62.24 O ATOM 361 OD2 ASP A 22 -5.790 0.244 -16.658 1.00 2.33 O ATOM 0 H ASP A 22 -3.903 -2.545 -14.905 1.00 53.33 H new ATOM 0 HA ASP A 22 -3.069 0.253 -14.514 1.00 65.44 H new ATOM 0 HB2 ASP A 22 -5.726 -1.048 -13.791 1.00 3.33 H new ATOM 0 HB3 ASP A 22 -5.422 0.625 -14.214 1.00 3.33 H new ATOM 366 N THR A 23 -2.411 -1.493 -12.250 1.00 23.53 N ATOM 367 CA THR A 23 -2.196 -1.815 -10.834 1.00 30.05 C ATOM 368 C THR A 23 -1.846 -0.573 -9.998 1.00 14.50 C ATOM 369 O THR A 23 -0.764 0.004 -10.131 1.00 13.04 O ATOM 370 CB THR A 23 -1.075 -2.867 -10.662 1.00 11.05 C ATOM 371 OG1 THR A 23 -1.303 -3.973 -11.546 1.00 23.40 O ATOM 372 CG2 THR A 23 -1.021 -3.378 -9.228 1.00 45.41 C ATOM 0 H THR A 23 -1.731 -1.911 -12.885 1.00 23.53 H new ATOM 0 HA THR A 23 -3.140 -2.222 -10.471 1.00 30.05 H new ATOM 0 HB THR A 23 -0.125 -2.389 -10.901 1.00 11.05 H new ATOM 0 HG1 THR A 23 -0.589 -4.635 -11.433 1.00 23.40 H new ATOM 0 HG21 THR A 23 -0.225 -4.116 -9.135 1.00 45.41 H new ATOM 0 HG22 THR A 23 -0.825 -2.545 -8.552 1.00 45.41 H new ATOM 0 HG23 THR A 23 -1.975 -3.838 -8.970 1.00 45.41 H new ATOM 380 N ARG A 24 -2.766 -0.195 -9.111 1.00 51.13 N ATOM 381 CA ARG A 24 -2.603 0.969 -8.229 1.00 51.00 C ATOM 382 C ARG A 24 -3.315 0.733 -6.892 1.00 62.52 C ATOM 383 O ARG A 24 -4.171 -0.148 -6.783 1.00 43.35 O ATOM 384 CB ARG A 24 -3.154 2.236 -8.902 1.00 53.05 C ATOM 385 CG ARG A 24 -2.343 2.698 -10.106 1.00 52.14 C ATOM 386 CD ARG A 24 -3.043 3.812 -10.873 1.00 42.34 C ATOM 387 NE ARG A 24 -4.297 3.361 -11.473 1.00 40.24 N ATOM 388 CZ ARG A 24 -4.827 3.881 -12.545 1.00 60.00 C ATOM 389 NH1 ARG A 24 -4.245 4.870 -13.153 1.00 70.14 N ATOM 390 NH2 ARG A 24 -5.936 3.409 -13.011 1.00 62.54 N ATOM 0 H ARG A 24 -3.650 -0.687 -8.981 1.00 51.13 H new ATOM 0 HA ARG A 24 -1.539 1.108 -8.040 1.00 51.00 H new ATOM 0 HB2 ARG A 24 -4.181 2.051 -9.217 1.00 53.05 H new ATOM 0 HB3 ARG A 24 -3.186 3.041 -8.168 1.00 53.05 H new ATOM 0 HG2 ARG A 24 -1.366 3.047 -9.772 1.00 52.14 H new ATOM 0 HG3 ARG A 24 -2.170 1.853 -10.772 1.00 52.14 H new ATOM 0 HD2 ARG A 24 -3.243 4.645 -10.200 1.00 42.34 H new ATOM 0 HD3 ARG A 24 -2.381 4.185 -11.654 1.00 42.34 H new ATOM 0 HE ARG A 24 -4.790 2.589 -11.024 1.00 40.24 H new ATOM 0 HH11 ARG A 24 -3.368 5.245 -12.793 1.00 70.14 H new ATOM 0 HH12 ARG A 24 -4.665 5.272 -13.991 1.00 70.14 H new ATOM 0 HH21 ARG A 24 -6.396 2.630 -12.540 1.00 62.54 H new ATOM 0 HH22 ARG A 24 -6.351 3.815 -13.849 1.00 62.54 H new ATOM 404 N ILE A 25 -2.972 1.524 -5.880 1.00 12.14 N ATOM 405 CA ILE A 25 -3.514 1.327 -4.531 1.00 32.45 C ATOM 406 C ILE A 25 -3.603 2.647 -3.746 1.00 10.11 C ATOM 407 O ILE A 25 -2.727 3.508 -3.858 1.00 64.12 O ATOM 408 CB ILE A 25 -2.639 0.314 -3.741 1.00 64.11 C ATOM 409 CG1 ILE A 25 -3.207 0.067 -2.333 1.00 22.45 C ATOM 410 CG2 ILE A 25 -1.193 0.806 -3.659 1.00 53.42 C ATOM 411 CD1 ILE A 25 -2.439 -0.966 -1.532 1.00 64.31 C ATOM 0 H ILE A 25 -2.323 2.307 -5.963 1.00 12.14 H new ATOM 0 HA ILE A 25 -4.524 0.934 -4.645 1.00 32.45 H new ATOM 0 HB ILE A 25 -2.654 -0.634 -4.278 1.00 64.11 H new ATOM 0 HG12 ILE A 25 -3.211 1.008 -1.784 1.00 22.45 H new ATOM 0 HG13 ILE A 25 -4.245 -0.255 -2.422 1.00 22.45 H new ATOM 0 HG21 ILE A 25 -0.594 0.085 -3.103 1.00 53.42 H new ATOM 0 HG22 ILE A 25 -0.788 0.914 -4.665 1.00 53.42 H new ATOM 0 HG23 ILE A 25 -1.165 1.770 -3.151 1.00 53.42 H new ATOM 0 HD11 ILE A 25 -2.901 -1.083 -0.552 1.00 64.31 H new ATOM 0 HD12 ILE A 25 -2.456 -1.921 -2.058 1.00 64.31 H new ATOM 0 HD13 ILE A 25 -1.407 -0.638 -1.410 1.00 64.31 H new ATOM 423 N ASN A 26 -4.668 2.812 -2.962 1.00 42.04 N ATOM 424 CA ASN A 26 -4.781 3.959 -2.061 1.00 73.42 C ATOM 425 C ASN A 26 -3.968 3.707 -0.785 1.00 30.52 C ATOM 426 O ASN A 26 -4.383 2.949 0.096 1.00 1.23 O ATOM 427 CB ASN A 26 -6.248 4.241 -1.710 1.00 43.20 C ATOM 428 CG ASN A 26 -7.082 4.613 -2.926 1.00 34.35 C ATOM 429 OD1 ASN A 26 -6.576 5.142 -3.907 1.00 43.24 O ATOM 430 ND2 ASN A 26 -8.371 4.363 -2.866 1.00 10.23 N ATOM 0 H ASN A 26 -5.460 2.170 -2.932 1.00 42.04 H new ATOM 0 HA ASN A 26 -4.381 4.836 -2.571 1.00 73.42 H new ATOM 0 HB2 ASN A 26 -6.679 3.360 -1.235 1.00 43.20 H new ATOM 0 HB3 ASN A 26 -6.294 5.051 -0.982 1.00 43.20 H new ATOM 0 HD21 ASN A 26 -8.976 4.611 -3.649 1.00 10.23 H new ATOM 0 HD22 ASN A 26 -8.767 3.921 -2.036 1.00 10.23 H new ATOM 437 N VAL A 27 -2.805 4.337 -0.701 1.00 3.13 N ATOM 438 CA VAL A 27 -1.877 4.114 0.404 1.00 12.21 C ATOM 439 C VAL A 27 -2.123 5.090 1.562 1.00 2.34 C ATOM 440 O VAL A 27 -2.124 6.309 1.377 1.00 70.23 O ATOM 441 CB VAL A 27 -0.413 4.250 -0.078 1.00 51.13 C ATOM 442 CG1 VAL A 27 0.565 3.987 1.061 1.00 51.13 C ATOM 443 CG2 VAL A 27 -0.147 3.309 -1.250 1.00 41.33 C ATOM 0 H VAL A 27 -2.477 5.013 -1.391 1.00 3.13 H new ATOM 0 HA VAL A 27 -2.051 3.101 0.766 1.00 12.21 H new ATOM 0 HB VAL A 27 -0.261 5.274 -0.418 1.00 51.13 H new ATOM 0 HG11 VAL A 27 1.586 4.089 0.694 1.00 51.13 H new ATOM 0 HG12 VAL A 27 0.393 4.706 1.862 1.00 51.13 H new ATOM 0 HG13 VAL A 27 0.416 2.977 1.443 1.00 51.13 H new ATOM 0 HG21 VAL A 27 0.887 3.418 -1.576 1.00 41.33 H new ATOM 0 HG22 VAL A 27 -0.323 2.280 -0.937 1.00 41.33 H new ATOM 0 HG23 VAL A 27 -0.816 3.557 -2.074 1.00 41.33 H new ATOM 453 N VAL A 28 -2.328 4.541 2.755 1.00 62.14 N ATOM 454 CA VAL A 28 -2.521 5.348 3.959 1.00 61.03 C ATOM 455 C VAL A 28 -1.196 5.523 4.718 1.00 52.11 C ATOM 456 O VAL A 28 -0.567 4.548 5.137 1.00 22.05 O ATOM 457 CB VAL A 28 -3.573 4.715 4.905 1.00 60.12 C ATOM 458 CG1 VAL A 28 -3.858 5.627 6.098 1.00 52.30 C ATOM 459 CG2 VAL A 28 -4.859 4.391 4.145 1.00 44.43 C ATOM 0 H VAL A 28 -2.365 3.534 2.916 1.00 62.14 H new ATOM 0 HA VAL A 28 -2.884 6.323 3.635 1.00 61.03 H new ATOM 0 HB VAL A 28 -3.162 3.782 5.290 1.00 60.12 H new ATOM 0 HG11 VAL A 28 -4.599 5.158 6.745 1.00 52.30 H new ATOM 0 HG12 VAL A 28 -2.938 5.790 6.659 1.00 52.30 H new ATOM 0 HG13 VAL A 28 -4.240 6.584 5.742 1.00 52.30 H new ATOM 0 HG21 VAL A 28 -5.583 3.948 4.828 1.00 44.43 H new ATOM 0 HG22 VAL A 28 -5.272 5.307 3.722 1.00 44.43 H new ATOM 0 HG23 VAL A 28 -4.640 3.687 3.342 1.00 44.43 H new ATOM 469 N ASP A 29 -0.773 6.771 4.875 1.00 43.12 N ATOM 470 CA ASP A 29 0.480 7.097 5.557 1.00 72.32 C ATOM 471 C ASP A 29 0.318 6.995 7.091 1.00 31.43 C ATOM 472 O ASP A 29 -0.524 7.674 7.679 1.00 14.35 O ATOM 473 CB ASP A 29 0.903 8.520 5.159 1.00 71.31 C ATOM 474 CG ASP A 29 2.368 8.808 5.424 1.00 13.41 C ATOM 475 OD1 ASP A 29 2.825 8.609 6.564 1.00 41.05 O ATOM 476 OD2 ASP A 29 3.071 9.244 4.493 1.00 64.22 O ATOM 0 H ASP A 29 -1.285 7.586 4.536 1.00 43.12 H new ATOM 0 HA ASP A 29 1.248 6.384 5.258 1.00 72.32 H new ATOM 0 HB2 ASP A 29 0.697 8.670 4.099 1.00 71.31 H new ATOM 0 HB3 ASP A 29 0.294 9.239 5.707 1.00 71.31 H new ATOM 481 N PRO A 30 1.118 6.141 7.761 1.00 53.14 N ATOM 482 CA PRO A 30 1.073 5.996 9.226 1.00 30.52 C ATOM 483 C PRO A 30 1.867 7.092 9.963 1.00 34.41 C ATOM 484 O PRO A 30 1.678 7.315 11.162 1.00 50.11 O ATOM 485 CB PRO A 30 1.716 4.625 9.442 1.00 41.42 C ATOM 486 CG PRO A 30 2.716 4.515 8.341 1.00 41.21 C ATOM 487 CD PRO A 30 2.114 5.235 7.153 1.00 71.11 C ATOM 0 HA PRO A 30 0.060 6.087 9.619 1.00 30.52 H new ATOM 0 HB2 PRO A 30 2.191 4.557 10.421 1.00 41.42 H new ATOM 0 HB3 PRO A 30 0.977 3.825 9.391 1.00 41.42 H new ATOM 0 HG2 PRO A 30 3.665 4.966 8.630 1.00 41.21 H new ATOM 0 HG3 PRO A 30 2.919 3.471 8.102 1.00 41.21 H new ATOM 0 HD2 PRO A 30 2.870 5.787 6.595 1.00 71.11 H new ATOM 0 HD3 PRO A 30 1.649 4.538 6.456 1.00 71.11 H new ATOM 495 N GLU A 31 2.754 7.774 9.241 1.00 1.03 N ATOM 496 CA GLU A 31 3.589 8.832 9.822 1.00 51.15 C ATOM 497 C GLU A 31 2.857 10.185 9.833 1.00 32.14 C ATOM 498 O GLU A 31 2.899 10.919 10.821 1.00 54.43 O ATOM 499 CB GLU A 31 4.895 8.965 9.024 1.00 2.51 C ATOM 500 CG GLU A 31 5.759 7.705 9.010 1.00 53.13 C ATOM 501 CD GLU A 31 6.338 7.370 10.373 1.00 2.40 C ATOM 502 OE1 GLU A 31 7.062 8.219 10.938 1.00 23.24 O ATOM 503 OE2 GLU A 31 6.067 6.265 10.893 1.00 34.32 O ATOM 0 H GLU A 31 2.916 7.614 8.247 1.00 1.03 H new ATOM 0 HA GLU A 31 3.810 8.554 10.852 1.00 51.15 H new ATOM 0 HB2 GLU A 31 4.652 9.235 7.996 1.00 2.51 H new ATOM 0 HB3 GLU A 31 5.479 9.786 9.440 1.00 2.51 H new ATOM 0 HG2 GLU A 31 5.161 6.864 8.658 1.00 53.13 H new ATOM 0 HG3 GLU A 31 6.573 7.837 8.297 1.00 53.13 H new ATOM 510 N THR A 32 2.190 10.508 8.728 1.00 2.34 N ATOM 511 CA THR A 32 1.516 11.813 8.572 1.00 54.10 C ATOM 512 C THR A 32 -0.014 11.696 8.481 1.00 74.14 C ATOM 513 O THR A 32 -0.724 12.701 8.533 1.00 15.11 O ATOM 514 CB THR A 32 2.032 12.548 7.313 1.00 32.24 C ATOM 515 OG1 THR A 32 1.923 11.685 6.173 1.00 2.20 O ATOM 516 CG2 THR A 32 3.484 12.983 7.485 1.00 30.34 C ATOM 0 H THR A 32 2.096 9.890 7.922 1.00 2.34 H new ATOM 0 HA THR A 32 1.757 12.380 9.471 1.00 54.10 H new ATOM 0 HB THR A 32 1.422 13.439 7.165 1.00 32.24 H new ATOM 0 HG1 THR A 32 2.817 11.389 5.900 1.00 2.20 H new ATOM 0 HG21 THR A 32 3.819 13.497 6.584 1.00 30.34 H new ATOM 0 HG22 THR A 32 3.563 13.657 8.338 1.00 30.34 H new ATOM 0 HG23 THR A 32 4.109 12.106 7.656 1.00 30.34 H new ATOM 524 N GLY A 33 -0.523 10.477 8.328 1.00 14.14 N ATOM 525 CA GLY A 33 -1.969 10.269 8.279 1.00 54.40 C ATOM 526 C GLY A 33 -2.628 10.742 6.979 1.00 25.32 C ATOM 527 O GLY A 33 -3.827 11.022 6.957 1.00 2.11 O ATOM 0 H GLY A 33 0.035 9.628 8.237 1.00 14.14 H new ATOM 0 HA2 GLY A 33 -2.177 9.207 8.413 1.00 54.40 H new ATOM 0 HA3 GLY A 33 -2.429 10.792 9.117 1.00 54.40 H new ATOM 531 N LYS A 34 -1.851 10.836 5.899 1.00 54.30 N ATOM 532 CA LYS A 34 -2.387 11.237 4.586 1.00 70.41 C ATOM 533 C LYS A 34 -2.561 10.026 3.655 1.00 20.45 C ATOM 534 O LYS A 34 -1.749 9.102 3.659 1.00 33.24 O ATOM 535 CB LYS A 34 -1.468 12.279 3.926 1.00 25.34 C ATOM 536 CG LYS A 34 -0.008 11.843 3.812 1.00 61.45 C ATOM 537 CD LYS A 34 0.845 12.889 3.096 1.00 4.44 C ATOM 538 CE LYS A 34 2.338 12.582 3.201 1.00 15.22 C ATOM 539 NZ LYS A 34 2.675 11.226 2.695 1.00 22.14 N ATOM 0 H LYS A 34 -0.850 10.642 5.902 1.00 54.30 H new ATOM 0 HA LYS A 34 -3.369 11.680 4.752 1.00 70.41 H new ATOM 0 HB2 LYS A 34 -1.848 12.502 2.929 1.00 25.34 H new ATOM 0 HB3 LYS A 34 -1.515 13.204 4.500 1.00 25.34 H new ATOM 0 HG2 LYS A 34 0.397 11.665 4.808 1.00 61.45 H new ATOM 0 HG3 LYS A 34 0.047 10.898 3.272 1.00 61.45 H new ATOM 0 HD2 LYS A 34 0.557 12.934 2.046 1.00 4.44 H new ATOM 0 HD3 LYS A 34 0.646 13.872 3.523 1.00 4.44 H new ATOM 0 HE2 LYS A 34 2.900 13.327 2.637 1.00 15.22 H new ATOM 0 HE3 LYS A 34 2.651 12.667 4.242 1.00 15.22 H new ATOM 0 HZ1 LYS A 34 3.664 11.212 2.373 1.00 22.14 H new ATOM 0 HZ2 LYS A 34 2.549 10.530 3.457 1.00 22.14 H new ATOM 0 HZ3 LYS A 34 2.048 10.986 1.900 1.00 22.14 H new ATOM 553 N VAL A 35 -3.630 10.035 2.861 1.00 65.24 N ATOM 554 CA VAL A 35 -3.893 8.957 1.899 1.00 71.22 C ATOM 555 C VAL A 35 -3.530 9.391 0.469 1.00 64.40 C ATOM 556 O VAL A 35 -4.083 10.360 -0.057 1.00 21.12 O ATOM 557 CB VAL A 35 -5.381 8.518 1.936 1.00 64.20 C ATOM 558 CG1 VAL A 35 -5.634 7.352 0.978 1.00 63.02 C ATOM 559 CG2 VAL A 35 -5.798 8.159 3.363 1.00 74.21 C ATOM 0 H VAL A 35 -4.331 10.776 2.862 1.00 65.24 H new ATOM 0 HA VAL A 35 -3.267 8.113 2.188 1.00 71.22 H new ATOM 0 HB VAL A 35 -5.993 9.357 1.603 1.00 64.20 H new ATOM 0 HG11 VAL A 35 -6.684 7.065 1.024 1.00 63.02 H new ATOM 0 HG12 VAL A 35 -5.385 7.656 -0.039 1.00 63.02 H new ATOM 0 HG13 VAL A 35 -5.013 6.504 1.265 1.00 63.02 H new ATOM 0 HG21 VAL A 35 -6.844 7.853 3.370 1.00 74.21 H new ATOM 0 HG22 VAL A 35 -5.178 7.340 3.728 1.00 74.21 H new ATOM 0 HG23 VAL A 35 -5.669 9.027 4.009 1.00 74.21 H new ATOM 569 N GLU A 36 -2.599 8.675 -0.153 1.00 63.32 N ATOM 570 CA GLU A 36 -2.162 8.987 -1.520 1.00 44.01 C ATOM 571 C GLU A 36 -2.125 7.730 -2.402 1.00 75.43 C ATOM 572 O GLU A 36 -1.828 6.634 -1.930 1.00 31.23 O ATOM 573 CB GLU A 36 -0.786 9.671 -1.494 1.00 32.12 C ATOM 574 CG GLU A 36 0.297 8.889 -0.750 1.00 62.23 C ATOM 575 CD GLU A 36 1.620 9.638 -0.688 1.00 43.20 C ATOM 576 OE1 GLU A 36 2.215 9.897 -1.755 1.00 24.03 O ATOM 577 OE2 GLU A 36 2.063 9.999 0.423 1.00 20.41 O ATOM 0 H GLU A 36 -2.128 7.872 0.264 1.00 63.32 H new ATOM 0 HA GLU A 36 -2.889 9.672 -1.957 1.00 44.01 H new ATOM 0 HB2 GLU A 36 -0.457 9.836 -2.520 1.00 32.12 H new ATOM 0 HB3 GLU A 36 -0.891 10.652 -1.031 1.00 32.12 H new ATOM 0 HG2 GLU A 36 -0.044 8.677 0.263 1.00 62.23 H new ATOM 0 HG3 GLU A 36 0.450 7.929 -1.242 1.00 62.23 H new ATOM 584 N ILE A 37 -2.435 7.893 -3.687 1.00 75.44 N ATOM 585 CA ILE A 37 -2.487 6.762 -4.625 1.00 74.11 C ATOM 586 C ILE A 37 -1.091 6.405 -5.158 1.00 30.34 C ATOM 587 O ILE A 37 -0.384 7.258 -5.701 1.00 3.22 O ATOM 588 CB ILE A 37 -3.426 7.067 -5.820 1.00 2.32 C ATOM 589 CG1 ILE A 37 -4.819 7.478 -5.308 1.00 13.32 C ATOM 590 CG2 ILE A 37 -3.528 5.855 -6.754 1.00 41.23 C ATOM 591 CD1 ILE A 37 -5.800 7.832 -6.409 1.00 44.13 C ATOM 0 H ILE A 37 -2.655 8.796 -4.107 1.00 75.44 H new ATOM 0 HA ILE A 37 -2.879 5.911 -4.068 1.00 74.11 H new ATOM 0 HB ILE A 37 -3.005 7.896 -6.389 1.00 2.32 H new ATOM 0 HG12 ILE A 37 -5.232 6.662 -4.715 1.00 13.32 H new ATOM 0 HG13 ILE A 37 -4.712 8.334 -4.641 1.00 13.32 H new ATOM 0 HG21 ILE A 37 -4.192 6.091 -7.586 1.00 41.23 H new ATOM 0 HG22 ILE A 37 -2.539 5.608 -7.139 1.00 41.23 H new ATOM 0 HG23 ILE A 37 -3.926 5.003 -6.203 1.00 41.23 H new ATOM 0 HD11 ILE A 37 -6.757 8.110 -5.968 1.00 44.13 H new ATOM 0 HD12 ILE A 37 -5.410 8.669 -6.988 1.00 44.13 H new ATOM 0 HD13 ILE A 37 -5.939 6.971 -7.063 1.00 44.13 H new ATOM 603 N ALA A 38 -0.703 5.139 -5.012 1.00 21.44 N ATOM 604 CA ALA A 38 0.612 4.666 -5.461 1.00 62.12 C ATOM 605 C ALA A 38 0.500 3.576 -6.539 1.00 65.20 C ATOM 606 O ALA A 38 -0.548 2.949 -6.708 1.00 31.22 O ATOM 607 CB ALA A 38 1.409 4.140 -4.276 1.00 20.11 C ATOM 0 H ALA A 38 -1.282 4.416 -4.584 1.00 21.44 H new ATOM 0 HA ALA A 38 1.129 5.516 -5.906 1.00 62.12 H new ATOM 0 HB1 ALA A 38 2.383 3.791 -4.619 1.00 20.11 H new ATOM 0 HB2 ALA A 38 1.545 4.938 -3.546 1.00 20.11 H new ATOM 0 HB3 ALA A 38 0.870 3.313 -3.813 1.00 20.11 H new ATOM 613 N GLU A 39 1.598 3.350 -7.255 1.00 13.45 N ATOM 614 CA GLU A 39 1.658 2.324 -8.302 1.00 2.23 C ATOM 615 C GLU A 39 2.409 1.083 -7.797 1.00 12.11 C ATOM 616 O GLU A 39 3.608 1.148 -7.517 1.00 11.10 O ATOM 617 CB GLU A 39 2.362 2.889 -9.544 1.00 64.24 C ATOM 618 CG GLU A 39 1.730 4.168 -10.078 1.00 42.42 C ATOM 619 CD GLU A 39 2.499 4.758 -11.248 1.00 64.20 C ATOM 620 OE1 GLU A 39 3.459 5.522 -11.008 1.00 62.35 O ATOM 621 OE2 GLU A 39 2.152 4.461 -12.410 1.00 52.24 O ATOM 0 H GLU A 39 2.468 3.867 -7.130 1.00 13.45 H new ATOM 0 HA GLU A 39 0.641 2.033 -8.564 1.00 2.23 H new ATOM 0 HB2 GLU A 39 3.406 3.084 -9.301 1.00 64.24 H new ATOM 0 HB3 GLU A 39 2.353 2.134 -10.330 1.00 64.24 H new ATOM 0 HG2 GLU A 39 0.706 3.960 -10.389 1.00 42.42 H new ATOM 0 HG3 GLU A 39 1.676 4.904 -9.276 1.00 42.42 H new ATOM 628 N ILE A 40 1.707 -0.043 -7.674 1.00 1.44 N ATOM 629 CA ILE A 40 2.324 -1.280 -7.177 1.00 53.23 C ATOM 630 C ILE A 40 3.198 -1.941 -8.253 1.00 14.03 C ATOM 631 O ILE A 40 2.692 -2.416 -9.271 1.00 21.53 O ATOM 632 CB ILE A 40 1.258 -2.306 -6.715 1.00 53.44 C ATOM 633 CG1 ILE A 40 0.314 -1.689 -5.670 1.00 61.23 C ATOM 634 CG2 ILE A 40 1.931 -3.563 -6.160 1.00 61.12 C ATOM 635 CD1 ILE A 40 -0.795 -2.623 -5.220 1.00 2.04 C ATOM 0 H ILE A 40 0.718 -0.128 -7.909 1.00 1.44 H new ATOM 0 HA ILE A 40 2.942 -0.993 -6.327 1.00 53.23 H new ATOM 0 HB ILE A 40 0.660 -2.587 -7.582 1.00 53.44 H new ATOM 0 HG12 ILE A 40 0.897 -1.387 -4.800 1.00 61.23 H new ATOM 0 HG13 ILE A 40 -0.131 -0.785 -6.085 1.00 61.23 H new ATOM 0 HG21 ILE A 40 1.168 -4.273 -5.840 1.00 61.12 H new ATOM 0 HG22 ILE A 40 2.548 -4.018 -6.935 1.00 61.12 H new ATOM 0 HG23 ILE A 40 2.557 -3.295 -5.309 1.00 61.12 H new ATOM 0 HD11 ILE A 40 -1.420 -2.118 -4.483 1.00 2.04 H new ATOM 0 HD12 ILE A 40 -1.404 -2.906 -6.079 1.00 2.04 H new ATOM 0 HD13 ILE A 40 -0.359 -3.517 -4.774 1.00 2.04 H new ATOM 647 N ARG A 41 4.506 -1.974 -8.020 1.00 40.31 N ATOM 648 CA ARG A 41 5.436 -2.608 -8.957 1.00 12.31 C ATOM 649 C ARG A 41 5.507 -4.127 -8.734 1.00 1.31 C ATOM 650 O ARG A 41 5.294 -4.917 -9.659 1.00 24.22 O ATOM 651 CB ARG A 41 6.839 -1.998 -8.819 1.00 34.20 C ATOM 652 CG ARG A 41 6.871 -0.469 -8.817 1.00 21.21 C ATOM 653 CD ARG A 41 6.036 0.136 -9.945 1.00 10.42 C ATOM 654 NE ARG A 41 6.347 -0.439 -11.256 1.00 34.14 N ATOM 655 CZ ARG A 41 5.879 0.015 -12.389 1.00 45.41 C ATOM 656 NH1 ARG A 41 5.187 1.108 -12.424 1.00 24.32 N ATOM 657 NH2 ARG A 41 6.130 -0.613 -13.495 1.00 33.31 N ATOM 0 H ARG A 41 4.948 -1.571 -7.194 1.00 40.31 H new ATOM 0 HA ARG A 41 5.062 -2.426 -9.965 1.00 12.31 H new ATOM 0 HB2 ARG A 41 7.288 -2.359 -7.894 1.00 34.20 H new ATOM 0 HB3 ARG A 41 7.461 -2.360 -9.638 1.00 34.20 H new ATOM 0 HG2 ARG A 41 6.502 -0.102 -7.859 1.00 21.21 H new ATOM 0 HG3 ARG A 41 7.903 -0.130 -8.911 1.00 21.21 H new ATOM 0 HD2 ARG A 41 4.978 -0.016 -9.729 1.00 10.42 H new ATOM 0 HD3 ARG A 41 6.204 1.213 -9.977 1.00 10.42 H new ATOM 0 HE ARG A 41 6.969 -1.246 -11.287 1.00 34.14 H new ATOM 0 HH11 ARG A 41 5.003 1.623 -11.563 1.00 24.32 H new ATOM 0 HH12 ARG A 41 4.826 1.455 -13.313 1.00 24.32 H new ATOM 0 HH21 ARG A 41 6.694 -1.463 -13.482 1.00 33.31 H new ATOM 0 HH22 ARG A 41 5.764 -0.257 -14.378 1.00 33.31 H new ATOM 671 N ASN A 42 5.787 -4.525 -7.494 1.00 52.35 N ATOM 672 CA ASN A 42 5.954 -5.941 -7.142 1.00 25.23 C ATOM 673 C ASN A 42 4.957 -6.378 -6.057 1.00 62.52 C ATOM 674 O ASN A 42 4.539 -5.575 -5.223 1.00 70.20 O ATOM 675 CB ASN A 42 7.388 -6.200 -6.670 1.00 4.34 C ATOM 676 CG ASN A 42 8.406 -5.968 -7.774 1.00 60.20 C ATOM 677 OD1 ASN A 42 8.909 -4.866 -7.958 1.00 70.00 O ATOM 678 ND2 ASN A 42 8.703 -7.008 -8.526 1.00 35.25 N ATOM 0 H ASN A 42 5.904 -3.885 -6.709 1.00 52.35 H new ATOM 0 HA ASN A 42 5.753 -6.531 -8.036 1.00 25.23 H new ATOM 0 HB2 ASN A 42 7.614 -5.548 -5.826 1.00 4.34 H new ATOM 0 HB3 ASN A 42 7.471 -7.226 -6.311 1.00 4.34 H new ATOM 0 HD21 ASN A 42 9.371 -6.910 -9.290 1.00 35.25 H new ATOM 0 HD22 ASN A 42 8.265 -7.911 -8.344 1.00 35.25 H new ATOM 685 N VAL A 43 4.597 -7.661 -6.068 1.00 51.20 N ATOM 686 CA VAL A 43 3.606 -8.205 -5.130 1.00 53.21 C ATOM 687 C VAL A 43 4.115 -9.479 -4.424 1.00 20.21 C ATOM 688 O VAL A 43 3.995 -10.587 -4.946 1.00 62.41 O ATOM 689 CB VAL A 43 2.255 -8.502 -5.848 1.00 11.41 C ATOM 690 CG1 VAL A 43 1.519 -7.205 -6.179 1.00 74.04 C ATOM 691 CG2 VAL A 43 2.483 -9.319 -7.121 1.00 45.14 C ATOM 0 H VAL A 43 4.977 -8.349 -6.718 1.00 51.20 H new ATOM 0 HA VAL A 43 3.443 -7.440 -4.370 1.00 53.21 H new ATOM 0 HB VAL A 43 1.637 -9.087 -5.167 1.00 11.41 H new ATOM 0 HG11 VAL A 43 0.579 -7.438 -6.680 1.00 74.04 H new ATOM 0 HG12 VAL A 43 1.314 -6.658 -5.259 1.00 74.04 H new ATOM 0 HG13 VAL A 43 2.138 -6.593 -6.835 1.00 74.04 H new ATOM 0 HG21 VAL A 43 1.526 -9.514 -7.605 1.00 45.14 H new ATOM 0 HG22 VAL A 43 3.126 -8.761 -7.801 1.00 45.14 H new ATOM 0 HG23 VAL A 43 2.960 -10.265 -6.865 1.00 45.14 H new ATOM 701 N VAL A 44 4.705 -9.297 -3.242 1.00 34.42 N ATOM 702 CA VAL A 44 5.193 -10.413 -2.410 1.00 71.11 C ATOM 703 C VAL A 44 5.798 -9.886 -1.096 1.00 74.33 C ATOM 704 O VAL A 44 6.498 -8.873 -1.091 1.00 73.24 O ATOM 705 CB VAL A 44 6.248 -11.284 -3.153 1.00 53.41 C ATOM 706 CG1 VAL A 44 7.484 -10.464 -3.525 1.00 22.14 C ATOM 707 CG2 VAL A 44 6.633 -12.508 -2.316 1.00 64.40 C ATOM 0 H VAL A 44 4.861 -8.377 -2.830 1.00 34.42 H new ATOM 0 HA VAL A 44 4.330 -11.042 -2.191 1.00 71.11 H new ATOM 0 HB VAL A 44 5.795 -11.636 -4.079 1.00 53.41 H new ATOM 0 HG11 VAL A 44 8.201 -11.101 -4.042 1.00 22.14 H new ATOM 0 HG12 VAL A 44 7.192 -9.642 -4.178 1.00 22.14 H new ATOM 0 HG13 VAL A 44 7.941 -10.064 -2.620 1.00 22.14 H new ATOM 0 HG21 VAL A 44 7.371 -13.101 -2.856 1.00 64.40 H new ATOM 0 HG22 VAL A 44 7.055 -12.181 -1.366 1.00 64.40 H new ATOM 0 HG23 VAL A 44 5.747 -13.115 -2.129 1.00 64.40 H new ATOM 717 N GLU A 45 5.527 -10.572 0.014 1.00 62.42 N ATOM 718 CA GLU A 45 5.997 -10.120 1.332 1.00 75.32 C ATOM 719 C GLU A 45 7.404 -10.655 1.659 1.00 20.15 C ATOM 720 O GLU A 45 8.034 -11.336 0.846 1.00 71.42 O ATOM 721 CB GLU A 45 5.013 -10.535 2.442 1.00 4.14 C ATOM 722 CG GLU A 45 4.884 -12.046 2.663 1.00 73.31 C ATOM 723 CD GLU A 45 3.977 -12.737 1.652 1.00 3.05 C ATOM 724 OE1 GLU A 45 2.756 -12.814 1.904 1.00 25.00 O ATOM 725 OE2 GLU A 45 4.482 -13.219 0.617 1.00 72.03 O ATOM 0 H GLU A 45 4.988 -11.438 0.032 1.00 62.42 H new ATOM 0 HA GLU A 45 6.050 -9.032 1.289 1.00 75.32 H new ATOM 0 HB2 GLU A 45 5.328 -10.072 3.377 1.00 4.14 H new ATOM 0 HB3 GLU A 45 4.029 -10.133 2.203 1.00 4.14 H new ATOM 0 HG2 GLU A 45 5.875 -12.497 2.617 1.00 73.31 H new ATOM 0 HG3 GLU A 45 4.498 -12.226 3.667 1.00 73.31 H new ATOM 732 N ASN A 46 7.901 -10.318 2.854 1.00 15.51 N ATOM 733 CA ASN A 46 9.205 -10.802 3.325 1.00 62.04 C ATOM 734 C ASN A 46 9.275 -12.339 3.307 1.00 40.21 C ATOM 735 O ASN A 46 8.605 -13.019 4.089 1.00 21.34 O ATOM 736 CB ASN A 46 9.488 -10.281 4.740 1.00 34.33 C ATOM 737 CG ASN A 46 9.608 -8.768 4.798 1.00 51.13 C ATOM 738 OD1 ASN A 46 9.001 -8.050 4.012 1.00 74.03 O ATOM 739 ND2 ASN A 46 10.384 -8.271 5.739 1.00 64.04 N ATOM 0 H ASN A 46 7.418 -9.710 3.515 1.00 15.51 H new ATOM 0 HA ASN A 46 9.965 -10.421 2.643 1.00 62.04 H new ATOM 0 HB2 ASN A 46 8.689 -10.603 5.407 1.00 34.33 H new ATOM 0 HB3 ASN A 46 10.411 -10.728 5.109 1.00 34.33 H new ATOM 0 HD21 ASN A 46 10.493 -7.261 5.829 1.00 64.04 H new ATOM 0 HD22 ASN A 46 10.876 -8.896 6.378 1.00 64.04 H new ATOM 746 N THR A 47 10.083 -12.878 2.398 1.00 3.31 N ATOM 747 CA THR A 47 10.235 -14.331 2.253 1.00 21.32 C ATOM 748 C THR A 47 11.711 -14.750 2.287 1.00 72.44 C ATOM 749 O THR A 47 12.567 -14.125 1.652 1.00 4.12 O ATOM 750 CB THR A 47 9.590 -14.840 0.937 1.00 63.04 C ATOM 751 OG1 THR A 47 10.139 -14.141 -0.193 1.00 31.35 O ATOM 752 CG2 THR A 47 8.073 -14.659 0.963 1.00 32.14 C ATOM 0 H THR A 47 10.646 -12.332 1.746 1.00 3.31 H new ATOM 0 HA THR A 47 9.720 -14.784 3.100 1.00 21.32 H new ATOM 0 HB THR A 47 9.813 -15.903 0.847 1.00 63.04 H new ATOM 0 HG1 THR A 47 9.724 -14.473 -1.016 1.00 31.35 H new ATOM 0 HG21 THR A 47 7.647 -15.024 0.028 1.00 32.14 H new ATOM 0 HG22 THR A 47 7.654 -15.222 1.797 1.00 32.14 H new ATOM 0 HG23 THR A 47 7.835 -13.602 1.082 1.00 32.14 H new ATOM 760 N ALA A 48 12.005 -15.803 3.046 1.00 14.34 N ATOM 761 CA ALA A 48 13.375 -16.317 3.177 1.00 50.04 C ATOM 762 C ALA A 48 13.390 -17.853 3.178 1.00 4.35 C ATOM 763 O ALA A 48 12.541 -18.484 3.810 1.00 11.13 O ATOM 764 CB ALA A 48 14.023 -15.775 4.448 1.00 52.03 C ATOM 0 H ALA A 48 11.312 -16.323 3.584 1.00 14.34 H new ATOM 0 HA ALA A 48 13.951 -15.976 2.317 1.00 50.04 H new ATOM 0 HB1 ALA A 48 15.038 -16.164 4.533 1.00 52.03 H new ATOM 0 HB2 ALA A 48 14.054 -14.686 4.405 1.00 52.03 H new ATOM 0 HB3 ALA A 48 13.441 -16.088 5.315 1.00 52.03 H new ATOM 770 N ASN A 49 14.362 -18.440 2.474 1.00 52.02 N ATOM 771 CA ASN A 49 14.482 -19.903 2.333 1.00 13.04 C ATOM 772 C ASN A 49 13.258 -20.501 1.606 1.00 3.44 C ATOM 773 O ASN A 49 12.166 -20.578 2.168 1.00 13.12 O ATOM 774 CB ASN A 49 14.687 -20.578 3.699 1.00 12.04 C ATOM 775 CG ASN A 49 15.931 -20.067 4.408 1.00 10.44 C ATOM 776 OD1 ASN A 49 17.036 -20.554 4.182 1.00 42.33 O ATOM 777 ND2 ASN A 49 15.763 -19.089 5.274 1.00 31.33 N ATOM 0 H ASN A 49 15.090 -17.919 1.984 1.00 52.02 H new ATOM 0 HA ASN A 49 15.363 -20.100 1.722 1.00 13.04 H new ATOM 0 HB2 ASN A 49 13.814 -20.399 4.326 1.00 12.04 H new ATOM 0 HB3 ASN A 49 14.766 -21.656 3.562 1.00 12.04 H new ATOM 0 HD21 ASN A 49 16.565 -18.713 5.781 1.00 31.33 H new ATOM 0 HD22 ASN A 49 14.831 -18.707 5.438 1.00 31.33 H new ATOM 784 N PRO A 50 13.436 -20.934 0.339 1.00 13.42 N ATOM 785 CA PRO A 50 12.326 -21.397 -0.522 1.00 33.32 C ATOM 786 C PRO A 50 11.409 -22.450 0.134 1.00 74.31 C ATOM 787 O PRO A 50 11.753 -23.632 0.208 1.00 14.30 O ATOM 788 CB PRO A 50 13.048 -21.998 -1.737 1.00 13.31 C ATOM 789 CG PRO A 50 14.352 -21.278 -1.790 1.00 15.24 C ATOM 790 CD PRO A 50 14.738 -21.014 -0.359 1.00 41.54 C ATOM 0 HA PRO A 50 11.649 -20.575 -0.756 1.00 33.32 H new ATOM 0 HB2 PRO A 50 13.192 -23.072 -1.622 1.00 13.31 H new ATOM 0 HB3 PRO A 50 12.475 -21.850 -2.652 1.00 13.31 H new ATOM 0 HG2 PRO A 50 15.109 -21.879 -2.294 1.00 15.24 H new ATOM 0 HG3 PRO A 50 14.261 -20.346 -2.348 1.00 15.24 H new ATOM 0 HD2 PRO A 50 15.361 -21.813 0.043 1.00 41.54 H new ATOM 0 HD3 PRO A 50 15.304 -20.088 -0.260 1.00 41.54 H new ATOM 798 N HIS A 51 10.241 -22.014 0.620 1.00 61.42 N ATOM 799 CA HIS A 51 9.245 -22.940 1.182 1.00 40.31 C ATOM 800 C HIS A 51 7.877 -22.813 0.475 1.00 30.03 C ATOM 801 O HIS A 51 6.931 -22.239 1.016 1.00 11.34 O ATOM 802 CB HIS A 51 9.114 -22.752 2.709 1.00 41.24 C ATOM 803 CG HIS A 51 8.762 -21.360 3.150 1.00 21.42 C ATOM 804 ND1 HIS A 51 9.700 -20.365 3.323 1.00 52.22 N ATOM 805 CD2 HIS A 51 7.570 -20.800 3.477 1.00 73.33 C ATOM 806 CE1 HIS A 51 9.106 -19.263 3.729 1.00 24.12 C ATOM 807 NE2 HIS A 51 7.815 -19.496 3.831 1.00 21.45 N ATOM 0 H HIS A 51 9.961 -21.033 0.637 1.00 61.42 H new ATOM 0 HA HIS A 51 9.602 -23.954 1.000 1.00 40.31 H new ATOM 0 HB2 HIS A 51 8.353 -23.438 3.080 1.00 41.24 H new ATOM 0 HB3 HIS A 51 10.056 -23.038 3.177 1.00 41.24 H new ATOM 0 HD1 HIS A 51 10.702 -20.467 3.161 1.00 52.22 H new ATOM 0 HD2 HIS A 51 6.607 -21.289 3.462 1.00 73.33 H new ATOM 0 HE1 HIS A 51 9.596 -18.325 3.943 1.00 24.12 H new ATOM 816 N PHE A 52 7.804 -23.329 -0.758 1.00 63.10 N ATOM 817 CA PHE A 52 6.546 -23.401 -1.530 1.00 24.22 C ATOM 818 C PHE A 52 5.873 -22.015 -1.729 1.00 63.42 C ATOM 819 O PHE A 52 4.699 -21.930 -2.091 1.00 42.51 O ATOM 820 CB PHE A 52 5.588 -24.387 -0.829 1.00 50.12 C ATOM 821 CG PHE A 52 4.376 -24.781 -1.643 1.00 62.41 C ATOM 822 CD1 PHE A 52 4.512 -25.579 -2.771 1.00 50.35 C ATOM 823 CD2 PHE A 52 3.104 -24.355 -1.280 1.00 4.44 C ATOM 824 CE1 PHE A 52 3.407 -25.943 -3.516 1.00 73.51 C ATOM 825 CE2 PHE A 52 1.998 -24.715 -2.023 1.00 72.15 C ATOM 826 CZ PHE A 52 2.148 -25.510 -3.142 1.00 21.51 C ATOM 0 H PHE A 52 8.611 -23.709 -1.253 1.00 63.10 H new ATOM 0 HA PHE A 52 6.785 -23.757 -2.532 1.00 24.22 H new ATOM 0 HB2 PHE A 52 6.143 -25.289 -0.570 1.00 50.12 H new ATOM 0 HB3 PHE A 52 5.250 -23.941 0.106 1.00 50.12 H new ATOM 0 HD1 PHE A 52 5.493 -25.919 -3.069 1.00 50.35 H new ATOM 0 HD2 PHE A 52 2.979 -23.734 -0.405 1.00 4.44 H new ATOM 0 HE1 PHE A 52 3.526 -26.566 -4.390 1.00 73.51 H new ATOM 0 HE2 PHE A 52 1.016 -24.375 -1.729 1.00 72.15 H new ATOM 0 HZ PHE A 52 1.284 -25.793 -3.724 1.00 21.51 H new ATOM 836 N VAL A 53 6.624 -20.928 -1.542 1.00 70.02 N ATOM 837 CA VAL A 53 6.042 -19.580 -1.613 1.00 51.54 C ATOM 838 C VAL A 53 5.910 -19.063 -3.058 1.00 41.05 C ATOM 839 O VAL A 53 6.903 -18.764 -3.728 1.00 60.23 O ATOM 840 CB VAL A 53 6.852 -18.555 -0.781 1.00 0.35 C ATOM 841 CG1 VAL A 53 6.233 -17.162 -0.890 1.00 25.53 C ATOM 842 CG2 VAL A 53 6.941 -18.994 0.679 1.00 32.54 C ATOM 0 H VAL A 53 7.624 -20.949 -1.343 1.00 70.02 H new ATOM 0 HA VAL A 53 5.042 -19.676 -1.190 1.00 51.54 H new ATOM 0 HB VAL A 53 7.863 -18.511 -1.185 1.00 0.35 H new ATOM 0 HG11 VAL A 53 6.817 -16.457 -0.298 1.00 25.53 H new ATOM 0 HG12 VAL A 53 6.230 -16.846 -1.933 1.00 25.53 H new ATOM 0 HG13 VAL A 53 5.209 -17.188 -0.516 1.00 25.53 H new ATOM 0 HG21 VAL A 53 7.514 -18.260 1.245 1.00 32.54 H new ATOM 0 HG22 VAL A 53 5.937 -19.072 1.097 1.00 32.54 H new ATOM 0 HG23 VAL A 53 7.435 -19.964 0.738 1.00 32.54 H new ATOM 852 N ARG A 54 4.669 -18.987 -3.527 1.00 73.53 N ATOM 853 CA ARG A 54 4.333 -18.302 -4.781 1.00 70.11 C ATOM 854 C ARG A 54 3.045 -17.483 -4.576 1.00 41.22 C ATOM 855 O ARG A 54 2.281 -17.216 -5.505 1.00 31.21 O ATOM 856 CB ARG A 54 4.172 -19.319 -5.924 1.00 32.14 C ATOM 857 CG ARG A 54 4.066 -18.678 -7.309 1.00 4.55 C ATOM 858 CD ARG A 54 4.014 -19.720 -8.422 1.00 4.11 C ATOM 859 NE ARG A 54 5.223 -20.543 -8.462 1.00 54.21 N ATOM 860 CZ ARG A 54 5.739 -21.042 -9.554 1.00 52.25 C ATOM 861 NH1 ARG A 54 5.207 -20.799 -10.708 1.00 64.51 N ATOM 862 NH2 ARG A 54 6.807 -21.768 -9.485 1.00 74.22 N ATOM 0 H ARG A 54 3.864 -19.397 -3.053 1.00 73.53 H new ATOM 0 HA ARG A 54 5.141 -17.625 -5.058 1.00 70.11 H new ATOM 0 HB2 ARG A 54 5.022 -20.001 -5.914 1.00 32.14 H new ATOM 0 HB3 ARG A 54 3.280 -19.918 -5.742 1.00 32.14 H new ATOM 0 HG2 ARG A 54 3.171 -18.057 -7.353 1.00 4.55 H new ATOM 0 HG3 ARG A 54 4.920 -18.019 -7.469 1.00 4.55 H new ATOM 0 HD2 ARG A 54 3.144 -20.361 -8.278 1.00 4.11 H new ATOM 0 HD3 ARG A 54 3.885 -19.219 -9.381 1.00 4.11 H new ATOM 0 HE ARG A 54 5.694 -20.740 -7.579 1.00 54.21 H new ATOM 0 HH11 ARG A 54 4.375 -20.212 -10.773 1.00 64.51 H new ATOM 0 HH12 ARG A 54 5.619 -21.194 -11.553 1.00 64.51 H new ATOM 0 HH21 ARG A 54 7.243 -21.949 -8.581 1.00 74.22 H new ATOM 0 HH22 ARG A 54 7.213 -22.160 -10.335 1.00 74.22 H new ATOM 876 N ARG A 55 2.831 -17.079 -3.326 1.00 51.14 N ATOM 877 CA ARG A 55 1.638 -16.328 -2.929 1.00 74.53 C ATOM 878 C ARG A 55 1.772 -14.835 -3.284 1.00 70.11 C ATOM 879 O ARG A 55 1.961 -13.983 -2.417 1.00 65.54 O ATOM 880 CB ARG A 55 1.401 -16.526 -1.422 1.00 54.41 C ATOM 881 CG ARG A 55 0.208 -15.768 -0.847 1.00 24.12 C ATOM 882 CD ARG A 55 0.047 -16.047 0.642 1.00 3.13 C ATOM 883 NE ARG A 55 -0.955 -15.190 1.269 1.00 71.43 N ATOM 884 CZ ARG A 55 -1.933 -15.630 2.018 1.00 21.01 C ATOM 885 NH1 ARG A 55 -2.113 -16.902 2.188 1.00 71.43 N ATOM 886 NH2 ARG A 55 -2.730 -14.792 2.593 1.00 5.12 N ATOM 0 H ARG A 55 3.478 -17.262 -2.559 1.00 51.14 H new ATOM 0 HA ARG A 55 0.777 -16.706 -3.480 1.00 74.53 H new ATOM 0 HB2 ARG A 55 1.263 -17.590 -1.229 1.00 54.41 H new ATOM 0 HB3 ARG A 55 2.299 -16.219 -0.886 1.00 54.41 H new ATOM 0 HG2 ARG A 55 0.341 -14.698 -1.007 1.00 24.12 H new ATOM 0 HG3 ARG A 55 -0.700 -16.059 -1.375 1.00 24.12 H new ATOM 0 HD2 ARG A 55 -0.233 -17.091 0.784 1.00 3.13 H new ATOM 0 HD3 ARG A 55 1.006 -15.903 1.140 1.00 3.13 H new ATOM 0 HE ARG A 55 -0.888 -14.184 1.113 1.00 71.43 H new ATOM 0 HH11 ARG A 55 -1.489 -17.570 1.736 1.00 71.43 H new ATOM 0 HH12 ARG A 55 -2.879 -17.235 2.774 1.00 71.43 H new ATOM 0 HH21 ARG A 55 -2.596 -13.789 2.463 1.00 5.12 H new ATOM 0 HH22 ARG A 55 -3.493 -15.133 3.177 1.00 5.12 H new ATOM 900 N ASN A 56 1.689 -14.529 -4.578 1.00 61.12 N ATOM 901 CA ASN A 56 1.779 -13.144 -5.062 1.00 4.40 C ATOM 902 C ASN A 56 0.389 -12.482 -5.115 1.00 42.03 C ATOM 903 O ASN A 56 0.173 -11.509 -5.839 1.00 1.35 O ATOM 904 CB ASN A 56 2.431 -13.116 -6.453 1.00 52.20 C ATOM 905 CG ASN A 56 3.793 -13.787 -6.466 1.00 23.15 C ATOM 906 OD1 ASN A 56 3.920 -14.962 -6.793 1.00 41.43 O ATOM 907 ND2 ASN A 56 4.823 -13.051 -6.099 1.00 13.41 N ATOM 0 H ASN A 56 1.559 -15.221 -5.316 1.00 61.12 H new ATOM 0 HA ASN A 56 2.396 -12.578 -4.364 1.00 4.40 H new ATOM 0 HB2 ASN A 56 1.777 -13.614 -7.168 1.00 52.20 H new ATOM 0 HB3 ASN A 56 2.535 -12.082 -6.782 1.00 52.20 H new ATOM 0 HD21 ASN A 56 5.759 -13.456 -6.081 1.00 13.41 H new ATOM 0 HD22 ASN A 56 4.684 -12.076 -5.833 1.00 13.41 H new ATOM 914 N ILE A 57 -0.546 -13.010 -4.328 1.00 42.01 N ATOM 915 CA ILE A 57 -1.921 -12.500 -4.301 1.00 62.45 C ATOM 916 C ILE A 57 -2.063 -11.328 -3.314 1.00 4.12 C ATOM 917 O ILE A 57 -1.650 -11.421 -2.158 1.00 2.22 O ATOM 918 CB ILE A 57 -2.924 -13.619 -3.912 1.00 72.53 C ATOM 919 CG1 ILE A 57 -2.819 -14.793 -4.902 1.00 31.21 C ATOM 920 CG2 ILE A 57 -4.357 -13.076 -3.860 1.00 63.31 C ATOM 921 CD1 ILE A 57 -3.730 -15.957 -4.573 1.00 41.01 C ATOM 0 H ILE A 57 -0.378 -13.794 -3.697 1.00 42.01 H new ATOM 0 HA ILE A 57 -2.150 -12.147 -5.306 1.00 62.45 H new ATOM 0 HB ILE A 57 -2.669 -13.981 -2.916 1.00 72.53 H new ATOM 0 HG12 ILE A 57 -3.054 -14.433 -5.904 1.00 31.21 H new ATOM 0 HG13 ILE A 57 -1.788 -15.146 -4.924 1.00 31.21 H new ATOM 0 HG21 ILE A 57 -5.041 -13.879 -3.585 1.00 63.31 H new ATOM 0 HG22 ILE A 57 -4.417 -12.279 -3.119 1.00 63.31 H new ATOM 0 HG23 ILE A 57 -4.633 -12.683 -4.839 1.00 63.31 H new ATOM 0 HD11 ILE A 57 -3.598 -16.744 -5.316 1.00 41.01 H new ATOM 0 HD12 ILE A 57 -3.482 -16.345 -3.585 1.00 41.01 H new ATOM 0 HD13 ILE A 57 -4.767 -15.621 -4.581 1.00 41.01 H new ATOM 933 N ILE A 58 -2.651 -10.228 -3.779 1.00 31.14 N ATOM 934 CA ILE A 58 -2.873 -9.050 -2.935 1.00 5.44 C ATOM 935 C ILE A 58 -3.941 -9.330 -1.863 1.00 71.43 C ATOM 936 O ILE A 58 -5.140 -9.282 -2.132 1.00 71.12 O ATOM 937 CB ILE A 58 -3.289 -7.821 -3.787 1.00 23.05 C ATOM 938 CG1 ILE A 58 -2.211 -7.520 -4.845 1.00 24.44 C ATOM 939 CG2 ILE A 58 -3.524 -6.599 -2.901 1.00 14.12 C ATOM 940 CD1 ILE A 58 -2.537 -6.344 -5.743 1.00 52.23 C ATOM 0 H ILE A 58 -2.984 -10.125 -4.738 1.00 31.14 H new ATOM 0 HA ILE A 58 -1.930 -8.825 -2.437 1.00 5.44 H new ATOM 0 HB ILE A 58 -4.225 -8.055 -4.295 1.00 23.05 H new ATOM 0 HG12 ILE A 58 -1.265 -7.326 -4.339 1.00 24.44 H new ATOM 0 HG13 ILE A 58 -2.066 -8.406 -5.463 1.00 24.44 H new ATOM 0 HG21 ILE A 58 -3.814 -5.751 -3.521 1.00 14.12 H new ATOM 0 HG22 ILE A 58 -4.318 -6.815 -2.186 1.00 14.12 H new ATOM 0 HG23 ILE A 58 -2.607 -6.358 -2.363 1.00 14.12 H new ATOM 0 HD11 ILE A 58 -1.729 -6.198 -6.459 1.00 52.23 H new ATOM 0 HD12 ILE A 58 -3.465 -6.542 -6.279 1.00 52.23 H new ATOM 0 HD13 ILE A 58 -2.652 -5.445 -5.138 1.00 52.23 H new ATOM 952 N THR A 59 -3.488 -9.651 -0.655 1.00 61.14 N ATOM 953 CA THR A 59 -4.384 -9.973 0.467 1.00 24.25 C ATOM 954 C THR A 59 -3.930 -9.278 1.759 1.00 74.41 C ATOM 955 O THR A 59 -2.770 -8.880 1.884 1.00 60.10 O ATOM 956 CB THR A 59 -4.449 -11.502 0.712 1.00 42.43 C ATOM 957 OG1 THR A 59 -5.249 -11.799 1.872 1.00 4.04 O ATOM 958 CG2 THR A 59 -3.050 -12.087 0.891 1.00 71.31 C ATOM 0 H THR A 59 -2.497 -9.697 -0.420 1.00 61.14 H new ATOM 0 HA THR A 59 -5.375 -9.611 0.195 1.00 24.25 H new ATOM 0 HB THR A 59 -4.910 -11.957 -0.164 1.00 42.43 H new ATOM 0 HG1 THR A 59 -5.279 -12.769 2.009 1.00 4.04 H new ATOM 0 HG21 THR A 59 -3.124 -13.161 1.061 1.00 71.31 H new ATOM 0 HG22 THR A 59 -2.461 -11.902 -0.007 1.00 71.31 H new ATOM 0 HG23 THR A 59 -2.566 -11.616 1.747 1.00 71.31 H new ATOM 966 N ARG A 60 -4.841 -9.148 2.723 1.00 11.23 N ATOM 967 CA ARG A 60 -4.545 -8.443 3.976 1.00 3.44 C ATOM 968 C ARG A 60 -3.361 -9.078 4.725 1.00 11.53 C ATOM 969 O ARG A 60 -3.351 -10.281 4.993 1.00 61.33 O ATOM 970 CB ARG A 60 -5.778 -8.410 4.889 1.00 44.12 C ATOM 971 CG ARG A 60 -5.550 -7.630 6.185 1.00 41.41 C ATOM 972 CD ARG A 60 -6.816 -7.530 7.030 1.00 74.14 C ATOM 973 NE ARG A 60 -7.283 -8.836 7.486 1.00 54.34 N ATOM 974 CZ ARG A 60 -8.349 -9.017 8.212 1.00 42.31 C ATOM 975 NH1 ARG A 60 -9.080 -8.014 8.579 1.00 21.23 N ATOM 976 NH2 ARG A 60 -8.680 -10.207 8.576 1.00 61.40 N ATOM 0 H ARG A 60 -5.789 -9.520 2.663 1.00 11.23 H new ATOM 0 HA ARG A 60 -4.269 -7.423 3.709 1.00 3.44 H new ATOM 0 HB2 ARG A 60 -6.612 -7.964 4.346 1.00 44.12 H new ATOM 0 HB3 ARG A 60 -6.068 -9.432 5.134 1.00 44.12 H new ATOM 0 HG2 ARG A 60 -4.766 -8.116 6.766 1.00 41.41 H new ATOM 0 HG3 ARG A 60 -5.195 -6.628 5.946 1.00 41.41 H new ATOM 0 HD2 ARG A 60 -6.624 -6.893 7.894 1.00 74.14 H new ATOM 0 HD3 ARG A 60 -7.602 -7.049 6.448 1.00 74.14 H new ATOM 0 HE ARG A 60 -6.741 -9.658 7.219 1.00 54.34 H new ATOM 0 HH11 ARG A 60 -8.824 -7.067 8.300 1.00 21.23 H new ATOM 0 HH12 ARG A 60 -9.912 -8.171 9.148 1.00 21.23 H new ATOM 0 HH21 ARG A 60 -8.108 -11.004 8.296 1.00 61.40 H new ATOM 0 HH22 ARG A 60 -9.514 -10.353 9.145 1.00 61.40 H new ATOM 990 N GLY A 61 -2.374 -8.254 5.067 1.00 12.13 N ATOM 991 CA GLY A 61 -1.175 -8.744 5.740 1.00 21.30 C ATOM 992 C GLY A 61 0.025 -8.849 4.803 1.00 22.15 C ATOM 993 O GLY A 61 1.172 -8.845 5.250 1.00 33.24 O ATOM 0 H GLY A 61 -2.380 -7.249 4.890 1.00 12.13 H new ATOM 0 HA2 GLY A 61 -0.929 -8.077 6.566 1.00 21.30 H new ATOM 0 HA3 GLY A 61 -1.380 -9.723 6.172 1.00 21.30 H new ATOM 997 N ALA A 62 -0.241 -8.942 3.502 1.00 54.40 N ATOM 998 CA ALA A 62 0.821 -9.031 2.494 1.00 73.11 C ATOM 999 C ALA A 62 1.465 -7.661 2.231 1.00 74.10 C ATOM 1000 O ALA A 62 0.818 -6.621 2.365 1.00 60.42 O ATOM 1001 CB ALA A 62 0.263 -9.607 1.197 1.00 51.42 C ATOM 0 H ALA A 62 -1.185 -8.958 3.117 1.00 54.40 H new ATOM 0 HA ALA A 62 1.595 -9.694 2.880 1.00 73.11 H new ATOM 0 HB1 ALA A 62 1.059 -9.669 0.455 1.00 51.42 H new ATOM 0 HB2 ALA A 62 -0.138 -10.603 1.384 1.00 51.42 H new ATOM 0 HB3 ALA A 62 -0.531 -8.961 0.824 1.00 51.42 H new ATOM 1007 N VAL A 63 2.739 -7.667 1.853 1.00 24.02 N ATOM 1008 CA VAL A 63 3.464 -6.429 1.556 1.00 24.31 C ATOM 1009 C VAL A 63 3.697 -6.272 0.047 1.00 73.12 C ATOM 1010 O VAL A 63 4.382 -7.081 -0.574 1.00 75.43 O ATOM 1011 CB VAL A 63 4.831 -6.386 2.289 1.00 34.42 C ATOM 1012 CG1 VAL A 63 5.559 -5.067 2.017 1.00 74.44 C ATOM 1013 CG2 VAL A 63 4.644 -6.605 3.791 1.00 71.05 C ATOM 0 H VAL A 63 3.295 -8.515 1.744 1.00 24.02 H new ATOM 0 HA VAL A 63 2.844 -5.605 1.911 1.00 24.31 H new ATOM 0 HB VAL A 63 5.449 -7.195 1.900 1.00 34.42 H new ATOM 0 HG11 VAL A 63 6.514 -5.063 2.543 1.00 74.44 H new ATOM 0 HG12 VAL A 63 5.734 -4.962 0.946 1.00 74.44 H new ATOM 0 HG13 VAL A 63 4.948 -4.235 2.368 1.00 74.44 H new ATOM 0 HG21 VAL A 63 5.614 -6.571 4.287 1.00 71.05 H new ATOM 0 HG22 VAL A 63 4.002 -5.823 4.196 1.00 71.05 H new ATOM 0 HG23 VAL A 63 4.182 -7.578 3.962 1.00 71.05 H new ATOM 1023 N VAL A 64 3.111 -5.236 -0.542 1.00 62.30 N ATOM 1024 CA VAL A 64 3.322 -4.932 -1.959 1.00 2.41 C ATOM 1025 C VAL A 64 4.286 -3.749 -2.121 1.00 31.25 C ATOM 1026 O VAL A 64 4.207 -2.762 -1.385 1.00 70.24 O ATOM 1027 CB VAL A 64 1.987 -4.619 -2.684 1.00 33.34 C ATOM 1028 CG1 VAL A 64 1.052 -5.828 -2.639 1.00 23.33 C ATOM 1029 CG2 VAL A 64 1.309 -3.387 -2.084 1.00 70.41 C ATOM 0 H VAL A 64 2.485 -4.589 -0.062 1.00 62.30 H new ATOM 0 HA VAL A 64 3.759 -5.820 -2.417 1.00 2.41 H new ATOM 0 HB VAL A 64 2.215 -4.400 -3.727 1.00 33.34 H new ATOM 0 HG11 VAL A 64 0.121 -5.588 -3.153 1.00 23.33 H new ATOM 0 HG12 VAL A 64 1.529 -6.676 -3.130 1.00 23.33 H new ATOM 0 HG13 VAL A 64 0.838 -6.084 -1.601 1.00 23.33 H new ATOM 0 HG21 VAL A 64 0.376 -3.192 -2.612 1.00 70.41 H new ATOM 0 HG22 VAL A 64 1.099 -3.565 -1.029 1.00 70.41 H new ATOM 0 HG23 VAL A 64 1.969 -2.525 -2.182 1.00 70.41 H new ATOM 1039 N GLU A 65 5.208 -3.850 -3.072 1.00 62.20 N ATOM 1040 CA GLU A 65 6.189 -2.789 -3.295 1.00 64.23 C ATOM 1041 C GLU A 65 5.686 -1.771 -4.320 1.00 53.03 C ATOM 1042 O GLU A 65 5.556 -2.071 -5.510 1.00 11.34 O ATOM 1043 CB GLU A 65 7.539 -3.363 -3.742 1.00 12.21 C ATOM 1044 CG GLU A 65 8.587 -2.291 -4.042 1.00 0.34 C ATOM 1045 CD GLU A 65 10.010 -2.827 -4.013 1.00 4.13 C ATOM 1046 OE1 GLU A 65 10.484 -3.336 -5.054 1.00 53.24 O ATOM 1047 OE2 GLU A 65 10.657 -2.739 -2.947 1.00 14.23 O ATOM 0 H GLU A 65 5.298 -4.650 -3.699 1.00 62.20 H new ATOM 0 HA GLU A 65 6.330 -2.278 -2.343 1.00 64.23 H new ATOM 0 HB2 GLU A 65 7.920 -4.024 -2.964 1.00 12.21 H new ATOM 0 HB3 GLU A 65 7.389 -3.973 -4.633 1.00 12.21 H new ATOM 0 HG2 GLU A 65 8.387 -1.860 -5.023 1.00 0.34 H new ATOM 0 HG3 GLU A 65 8.493 -1.485 -3.314 1.00 0.34 H new ATOM 1054 N THR A 66 5.394 -0.571 -3.840 1.00 11.31 N ATOM 1055 CA THR A 66 4.946 0.529 -4.696 1.00 44.33 C ATOM 1056 C THR A 66 6.082 1.519 -4.949 1.00 22.10 C ATOM 1057 O THR A 66 7.136 1.447 -4.316 1.00 13.24 O ATOM 1058 CB THR A 66 3.765 1.299 -4.058 1.00 73.13 C ATOM 1059 OG1 THR A 66 4.215 2.028 -2.903 1.00 13.50 O ATOM 1060 CG2 THR A 66 2.643 0.348 -3.655 1.00 74.22 C ATOM 0 H THR A 66 5.459 -0.328 -2.851 1.00 11.31 H new ATOM 0 HA THR A 66 4.622 0.083 -5.636 1.00 44.33 H new ATOM 0 HB THR A 66 3.379 1.996 -4.802 1.00 73.13 H new ATOM 0 HG1 THR A 66 4.835 1.472 -2.386 1.00 13.50 H new ATOM 0 HG21 THR A 66 1.827 0.916 -3.210 1.00 74.22 H new ATOM 0 HG22 THR A 66 2.279 -0.180 -4.537 1.00 74.22 H new ATOM 0 HG23 THR A 66 3.020 -0.374 -2.930 1.00 74.22 H new ATOM 1068 N ASN A 67 5.862 2.451 -5.867 1.00 51.13 N ATOM 1069 CA ASN A 67 6.838 3.513 -6.144 1.00 42.13 C ATOM 1070 C ASN A 67 7.182 4.310 -4.869 1.00 34.03 C ATOM 1071 O ASN A 67 8.314 4.756 -4.687 1.00 63.44 O ATOM 1072 CB ASN A 67 6.302 4.460 -7.226 1.00 44.40 C ATOM 1073 CG ASN A 67 4.935 5.031 -6.885 1.00 60.20 C ATOM 1074 OD1 ASN A 67 4.114 4.377 -6.250 1.00 32.32 O ATOM 1075 ND2 ASN A 67 4.682 6.253 -7.300 1.00 5.14 N ATOM 0 H ASN A 67 5.017 2.499 -6.437 1.00 51.13 H new ATOM 0 HA ASN A 67 7.752 3.038 -6.502 1.00 42.13 H new ATOM 0 HB2 ASN A 67 7.008 5.279 -7.368 1.00 44.40 H new ATOM 0 HB3 ASN A 67 6.241 3.924 -8.173 1.00 44.40 H new ATOM 0 HD21 ASN A 67 3.781 6.685 -7.096 1.00 5.14 H new ATOM 0 HD22 ASN A 67 5.387 6.769 -7.826 1.00 5.14 H new ATOM 1082 N LEU A 68 6.197 4.465 -3.982 1.00 54.35 N ATOM 1083 CA LEU A 68 6.381 5.210 -2.728 1.00 34.52 C ATOM 1084 C LEU A 68 7.087 4.359 -1.655 1.00 43.44 C ATOM 1085 O LEU A 68 7.574 4.886 -0.651 1.00 51.32 O ATOM 1086 CB LEU A 68 5.018 5.687 -2.202 1.00 71.52 C ATOM 1087 CG LEU A 68 4.178 6.497 -3.200 1.00 31.40 C ATOM 1088 CD1 LEU A 68 2.842 6.886 -2.579 1.00 12.11 C ATOM 1089 CD2 LEU A 68 4.936 7.737 -3.671 1.00 41.50 C ATOM 0 H LEU A 68 5.259 4.084 -4.107 1.00 54.35 H new ATOM 0 HA LEU A 68 7.017 6.069 -2.941 1.00 34.52 H new ATOM 0 HB2 LEU A 68 4.442 4.816 -1.890 1.00 71.52 H new ATOM 0 HB3 LEU A 68 5.183 6.295 -1.313 1.00 71.52 H new ATOM 0 HG LEU A 68 3.985 5.870 -4.071 1.00 31.40 H new ATOM 0 HD11 LEU A 68 2.259 7.460 -3.300 1.00 12.11 H new ATOM 0 HD12 LEU A 68 2.293 5.986 -2.303 1.00 12.11 H new ATOM 0 HD13 LEU A 68 3.017 7.491 -1.690 1.00 12.11 H new ATOM 0 HD21 LEU A 68 4.320 8.294 -4.377 1.00 41.50 H new ATOM 0 HD22 LEU A 68 5.167 8.369 -2.814 1.00 41.50 H new ATOM 0 HD23 LEU A 68 5.862 7.434 -4.159 1.00 41.50 H new ATOM 1101 N GLY A 69 7.138 3.046 -1.871 1.00 54.44 N ATOM 1102 CA GLY A 69 7.793 2.144 -0.923 1.00 65.51 C ATOM 1103 C GLY A 69 6.949 0.921 -0.574 1.00 74.45 C ATOM 1104 O GLY A 69 6.015 0.570 -1.301 1.00 41.14 O ATOM 0 H GLY A 69 6.737 2.585 -2.688 1.00 54.44 H new ATOM 0 HA2 GLY A 69 8.743 1.814 -1.343 1.00 65.51 H new ATOM 0 HA3 GLY A 69 8.022 2.692 -0.009 1.00 65.51 H new ATOM 1108 N ASN A 70 7.276 0.266 0.542 1.00 10.20 N ATOM 1109 CA ASN A 70 6.537 -0.923 0.988 1.00 64.35 C ATOM 1110 C ASN A 70 5.125 -0.552 1.473 1.00 54.12 C ATOM 1111 O ASN A 70 4.950 0.408 2.221 1.00 24.24 O ATOM 1112 CB ASN A 70 7.292 -1.634 2.121 1.00 64.24 C ATOM 1113 CG ASN A 70 8.720 -2.008 1.759 1.00 32.33 C ATOM 1114 OD1 ASN A 70 9.586 -2.078 2.624 1.00 30.32 O ATOM 1115 ND2 ASN A 70 8.983 -2.252 0.487 1.00 42.30 N ATOM 0 H ASN A 70 8.046 0.536 1.154 1.00 10.20 H new ATOM 0 HA ASN A 70 6.450 -1.593 0.133 1.00 64.35 H new ATOM 0 HB2 ASN A 70 7.306 -0.988 2.999 1.00 64.24 H new ATOM 0 HB3 ASN A 70 6.748 -2.537 2.398 1.00 64.24 H new ATOM 0 HD21 ASN A 70 9.928 -2.507 0.202 1.00 42.30 H new ATOM 0 HD22 ASN A 70 8.241 -2.185 -0.209 1.00 42.30 H new ATOM 1122 N VAL A 71 4.121 -1.311 1.047 1.00 41.22 N ATOM 1123 CA VAL A 71 2.735 -1.070 1.469 1.00 23.05 C ATOM 1124 C VAL A 71 2.067 -2.364 1.959 1.00 51.11 C ATOM 1125 O VAL A 71 2.042 -3.368 1.248 1.00 1.52 O ATOM 1126 CB VAL A 71 1.898 -0.458 0.315 1.00 33.30 C ATOM 1127 CG1 VAL A 71 0.436 -0.280 0.723 1.00 70.04 C ATOM 1128 CG2 VAL A 71 2.494 0.873 -0.139 1.00 73.31 C ATOM 0 H VAL A 71 4.235 -2.099 0.410 1.00 41.22 H new ATOM 0 HA VAL A 71 2.771 -0.360 2.295 1.00 23.05 H new ATOM 0 HB VAL A 71 1.930 -1.155 -0.523 1.00 33.30 H new ATOM 0 HG11 VAL A 71 -0.124 0.151 -0.107 1.00 70.04 H new ATOM 0 HG12 VAL A 71 0.010 -1.249 0.983 1.00 70.04 H new ATOM 0 HG13 VAL A 71 0.377 0.385 1.584 1.00 70.04 H new ATOM 0 HG21 VAL A 71 1.891 1.284 -0.949 1.00 73.31 H new ATOM 0 HG22 VAL A 71 2.503 1.572 0.698 1.00 73.31 H new ATOM 0 HG23 VAL A 71 3.514 0.714 -0.490 1.00 73.31 H new ATOM 1138 N ARG A 72 1.526 -2.335 3.177 1.00 71.11 N ATOM 1139 CA ARG A 72 0.836 -3.498 3.750 1.00 15.12 C ATOM 1140 C ARG A 72 -0.657 -3.469 3.395 1.00 14.55 C ATOM 1141 O ARG A 72 -1.377 -2.553 3.795 1.00 14.10 O ATOM 1142 CB ARG A 72 1.012 -3.521 5.277 1.00 14.52 C ATOM 1143 CG ARG A 72 0.530 -4.809 5.946 1.00 53.33 C ATOM 1144 CD ARG A 72 0.818 -4.806 7.448 1.00 52.52 C ATOM 1145 NE ARG A 72 2.256 -4.767 7.735 1.00 61.11 N ATOM 1146 CZ ARG A 72 2.825 -3.949 8.582 1.00 20.04 C ATOM 1147 NH1 ARG A 72 2.125 -3.095 9.259 1.00 74.14 N ATOM 1148 NH2 ARG A 72 4.102 -3.999 8.762 1.00 14.21 N ATOM 0 H ARG A 72 1.551 -1.519 3.789 1.00 71.11 H new ATOM 0 HA ARG A 72 1.277 -4.401 3.328 1.00 15.12 H new ATOM 0 HB2 ARG A 72 2.066 -3.376 5.512 1.00 14.52 H new ATOM 0 HB3 ARG A 72 0.471 -2.678 5.706 1.00 14.52 H new ATOM 0 HG2 ARG A 72 -0.541 -4.927 5.781 1.00 53.33 H new ATOM 0 HG3 ARG A 72 1.020 -5.665 5.483 1.00 53.33 H new ATOM 0 HD2 ARG A 72 0.334 -3.944 7.908 1.00 52.52 H new ATOM 0 HD3 ARG A 72 0.382 -5.696 7.902 1.00 52.52 H new ATOM 0 HE ARG A 72 2.856 -5.426 7.238 1.00 61.11 H new ATOM 0 HH11 ARG A 72 1.113 -3.053 9.136 1.00 74.14 H new ATOM 0 HH12 ARG A 72 2.585 -2.464 9.915 1.00 74.14 H new ATOM 0 HH21 ARG A 72 4.664 -4.675 8.244 1.00 14.21 H new ATOM 0 HH22 ARG A 72 4.549 -3.363 9.422 1.00 14.21 H new ATOM 1162 N VAL A 73 -1.114 -4.472 2.656 1.00 63.43 N ATOM 1163 CA VAL A 73 -2.512 -4.540 2.214 1.00 2.33 C ATOM 1164 C VAL A 73 -3.477 -4.742 3.399 1.00 51.23 C ATOM 1165 O VAL A 73 -3.242 -5.585 4.269 1.00 14.22 O ATOM 1166 CB VAL A 73 -2.713 -5.679 1.183 1.00 11.44 C ATOM 1167 CG1 VAL A 73 -4.144 -5.683 0.644 1.00 12.51 C ATOM 1168 CG2 VAL A 73 -1.695 -5.557 0.045 1.00 12.45 C ATOM 0 H VAL A 73 -0.539 -5.255 2.346 1.00 63.43 H new ATOM 0 HA VAL A 73 -2.741 -3.584 1.743 1.00 2.33 H new ATOM 0 HB VAL A 73 -2.547 -6.631 1.687 1.00 11.44 H new ATOM 0 HG11 VAL A 73 -4.259 -6.492 -0.078 1.00 12.51 H new ATOM 0 HG12 VAL A 73 -4.843 -5.830 1.468 1.00 12.51 H new ATOM 0 HG13 VAL A 73 -4.352 -4.730 0.157 1.00 12.51 H new ATOM 0 HG21 VAL A 73 -1.850 -6.365 -0.670 1.00 12.45 H new ATOM 0 HG22 VAL A 73 -1.824 -4.598 -0.457 1.00 12.45 H new ATOM 0 HG23 VAL A 73 -0.686 -5.621 0.451 1.00 12.45 H new ATOM 1178 N THR A 74 -4.559 -3.958 3.426 1.00 55.34 N ATOM 1179 CA THR A 74 -5.550 -4.020 4.515 1.00 45.42 C ATOM 1180 C THR A 74 -6.879 -4.620 4.045 1.00 72.41 C ATOM 1181 O THR A 74 -7.431 -5.523 4.678 1.00 11.43 O ATOM 1182 CB THR A 74 -5.836 -2.615 5.096 1.00 21.14 C ATOM 1183 OG1 THR A 74 -6.360 -1.755 4.069 1.00 34.12 O ATOM 1184 CG2 THR A 74 -4.570 -2.001 5.682 1.00 4.41 C ATOM 0 H THR A 74 -4.775 -3.269 2.705 1.00 55.34 H new ATOM 0 HA THR A 74 -5.115 -4.660 5.283 1.00 45.42 H new ATOM 0 HB THR A 74 -6.572 -2.720 5.893 1.00 21.14 H new ATOM 0 HG1 THR A 74 -6.540 -0.868 4.445 1.00 34.12 H new ATOM 0 HG21 THR A 74 -4.797 -1.014 6.084 1.00 4.41 H new ATOM 0 HG22 THR A 74 -4.192 -2.640 6.480 1.00 4.41 H new ATOM 0 HG23 THR A 74 -3.815 -1.910 4.901 1.00 4.41 H new ATOM 1192 N SER A 75 -7.400 -4.103 2.938 1.00 45.54 N ATOM 1193 CA SER A 75 -8.690 -4.562 2.396 1.00 31.51 C ATOM 1194 C SER A 75 -8.502 -5.483 1.183 1.00 13.54 C ATOM 1195 O SER A 75 -7.379 -5.821 0.810 1.00 74.04 O ATOM 1196 CB SER A 75 -9.558 -3.355 2.009 1.00 51.35 C ATOM 1197 OG SER A 75 -10.829 -3.761 1.521 1.00 72.13 O ATOM 0 H SER A 75 -6.955 -3.365 2.392 1.00 45.54 H new ATOM 0 HA SER A 75 -9.191 -5.137 3.175 1.00 31.51 H new ATOM 0 HB2 SER A 75 -9.690 -2.708 2.876 1.00 51.35 H new ATOM 0 HB3 SER A 75 -9.046 -2.767 1.247 1.00 51.35 H new ATOM 0 HG SER A 75 -11.495 -3.074 1.731 1.00 72.13 H new ATOM 1203 N ARG A 76 -9.613 -5.896 0.574 1.00 32.42 N ATOM 1204 CA ARG A 76 -9.573 -6.761 -0.611 1.00 10.31 C ATOM 1205 C ARG A 76 -9.269 -5.948 -1.884 1.00 3.32 C ATOM 1206 O ARG A 76 -9.761 -4.833 -2.047 1.00 64.34 O ATOM 1207 CB ARG A 76 -10.910 -7.505 -0.789 1.00 71.13 C ATOM 1208 CG ARG A 76 -11.147 -8.658 0.188 1.00 73.42 C ATOM 1209 CD ARG A 76 -11.338 -8.192 1.630 1.00 12.25 C ATOM 1210 NE ARG A 76 -11.794 -9.286 2.483 1.00 41.23 N ATOM 1211 CZ ARG A 76 -12.004 -9.198 3.766 1.00 31.35 C ATOM 1212 NH1 ARG A 76 -11.741 -8.112 4.422 1.00 32.11 N ATOM 1213 NH2 ARG A 76 -12.472 -10.221 4.398 1.00 25.31 N ATOM 0 H ARG A 76 -10.554 -5.647 0.880 1.00 32.42 H new ATOM 0 HA ARG A 76 -8.774 -7.487 -0.457 1.00 10.31 H new ATOM 0 HB2 ARG A 76 -11.724 -6.788 -0.684 1.00 71.13 H new ATOM 0 HB3 ARG A 76 -10.958 -7.895 -1.806 1.00 71.13 H new ATOM 0 HG2 ARG A 76 -12.028 -9.217 -0.126 1.00 73.42 H new ATOM 0 HG3 ARG A 76 -10.301 -9.344 0.143 1.00 73.42 H new ATOM 0 HD2 ARG A 76 -10.398 -7.795 2.014 1.00 12.25 H new ATOM 0 HD3 ARG A 76 -12.063 -7.378 1.659 1.00 12.25 H new ATOM 0 HE ARG A 76 -11.961 -10.189 2.040 1.00 41.23 H new ATOM 0 HH11 ARG A 76 -11.361 -7.301 3.934 1.00 32.11 H new ATOM 0 HH12 ARG A 76 -11.914 -8.068 5.426 1.00 32.11 H new ATOM 0 HH21 ARG A 76 -12.673 -11.084 3.893 1.00 25.31 H new ATOM 0 HH22 ARG A 76 -12.641 -10.166 5.402 1.00 25.31 H new ATOM 1227 N PRO A 77 -8.480 -6.509 -2.822 1.00 41.30 N ATOM 1228 CA PRO A 77 -8.154 -5.833 -4.094 1.00 14.25 C ATOM 1229 C PRO A 77 -9.348 -5.765 -5.061 1.00 43.04 C ATOM 1230 O PRO A 77 -9.258 -5.174 -6.141 1.00 64.42 O ATOM 1231 CB PRO A 77 -7.037 -6.707 -4.678 1.00 62.04 C ATOM 1232 CG PRO A 77 -7.284 -8.062 -4.105 1.00 14.32 C ATOM 1233 CD PRO A 77 -7.837 -7.835 -2.721 1.00 22.31 C ATOM 0 HA PRO A 77 -7.870 -4.793 -3.937 1.00 14.25 H new ATOM 0 HB2 PRO A 77 -7.075 -6.724 -5.767 1.00 62.04 H new ATOM 0 HB3 PRO A 77 -6.052 -6.332 -4.399 1.00 62.04 H new ATOM 0 HG2 PRO A 77 -7.989 -8.623 -4.719 1.00 14.32 H new ATOM 0 HG3 PRO A 77 -6.362 -8.643 -4.066 1.00 14.32 H new ATOM 0 HD2 PRO A 77 -8.553 -8.608 -2.443 1.00 22.31 H new ATOM 0 HD3 PRO A 77 -7.050 -7.843 -1.967 1.00 22.31 H new ATOM 1241 N GLY A 78 -10.461 -6.388 -4.673 1.00 24.34 N ATOM 1242 CA GLY A 78 -11.654 -6.403 -5.510 1.00 4.42 C ATOM 1243 C GLY A 78 -12.850 -5.700 -4.873 1.00 1.51 C ATOM 1244 O GLY A 78 -14.001 -6.041 -5.157 1.00 54.54 O ATOM 0 H GLY A 78 -10.558 -6.886 -3.788 1.00 24.34 H new ATOM 0 HA2 GLY A 78 -11.426 -5.925 -6.463 1.00 4.42 H new ATOM 0 HA3 GLY A 78 -11.923 -7.437 -5.728 1.00 4.42 H new ATOM 1248 N GLN A 79 -12.589 -4.722 -4.005 1.00 34.22 N ATOM 1249 CA GLN A 79 -13.665 -3.924 -3.407 1.00 32.41 C ATOM 1250 C GLN A 79 -14.256 -2.966 -4.448 1.00 3.22 C ATOM 1251 O GLN A 79 -13.818 -1.823 -4.571 1.00 72.31 O ATOM 1252 CB GLN A 79 -13.154 -3.140 -2.187 1.00 62.42 C ATOM 1253 CG GLN A 79 -12.697 -4.024 -1.031 1.00 10.30 C ATOM 1254 CD GLN A 79 -13.808 -4.904 -0.482 1.00 70.21 C ATOM 1255 OE1 GLN A 79 -14.003 -6.031 -0.921 1.00 14.33 O ATOM 1256 NE2 GLN A 79 -14.546 -4.396 0.483 1.00 31.32 N ATOM 0 H GLN A 79 -11.650 -4.463 -3.701 1.00 34.22 H new ATOM 0 HA GLN A 79 -14.448 -4.604 -3.070 1.00 32.41 H new ATOM 0 HB2 GLN A 79 -12.323 -2.506 -2.497 1.00 62.42 H new ATOM 0 HB3 GLN A 79 -13.946 -2.479 -1.835 1.00 62.42 H new ATOM 0 HG2 GLN A 79 -11.874 -4.655 -1.366 1.00 10.30 H new ATOM 0 HG3 GLN A 79 -12.310 -3.394 -0.230 1.00 10.30 H new ATOM 0 HE21 GLN A 79 -14.358 -3.454 0.827 1.00 31.32 H new ATOM 0 HE22 GLN A 79 -15.305 -4.944 0.887 1.00 31.32 H new ATOM 1265 N ASP A 80 -15.228 -3.461 -5.213 1.00 71.02 N ATOM 1266 CA ASP A 80 -15.839 -2.716 -6.323 1.00 32.22 C ATOM 1267 C ASP A 80 -14.803 -2.423 -7.429 1.00 71.31 C ATOM 1268 O ASP A 80 -14.866 -2.984 -8.524 1.00 23.25 O ATOM 1269 CB ASP A 80 -16.494 -1.418 -5.818 1.00 74.34 C ATOM 1270 CG ASP A 80 -17.710 -1.026 -6.642 1.00 34.41 C ATOM 1271 OD1 ASP A 80 -17.545 -0.615 -7.809 1.00 34.15 O ATOM 1272 OD2 ASP A 80 -18.847 -1.153 -6.129 1.00 41.44 O ATOM 0 H ASP A 80 -15.619 -4.394 -5.083 1.00 71.02 H new ATOM 0 HA ASP A 80 -16.621 -3.339 -6.757 1.00 32.22 H new ATOM 0 HB2 ASP A 80 -16.789 -1.544 -4.776 1.00 74.34 H new ATOM 0 HB3 ASP A 80 -15.763 -0.610 -5.846 1.00 74.34 H new ATOM 1277 N GLY A 81 -13.855 -1.541 -7.131 1.00 11.03 N ATOM 1278 CA GLY A 81 -12.768 -1.256 -8.059 1.00 11.11 C ATOM 1279 C GLY A 81 -11.590 -0.552 -7.389 1.00 3.32 C ATOM 1280 O GLY A 81 -10.817 0.143 -8.051 1.00 31.00 O ATOM 0 H GLY A 81 -13.817 -1.014 -6.259 1.00 11.03 H new ATOM 0 HA2 GLY A 81 -12.423 -2.189 -8.505 1.00 11.11 H new ATOM 0 HA3 GLY A 81 -13.143 -0.634 -8.872 1.00 11.11 H new ATOM 1284 N VAL A 82 -11.437 -0.751 -6.078 1.00 74.42 N ATOM 1285 CA VAL A 82 -10.412 -0.042 -5.296 1.00 23.22 C ATOM 1286 C VAL A 82 -9.577 -0.998 -4.416 1.00 2.51 C ATOM 1287 O VAL A 82 -10.062 -2.041 -3.977 1.00 62.32 O ATOM 1288 CB VAL A 82 -11.072 1.045 -4.402 1.00 65.22 C ATOM 1289 CG1 VAL A 82 -12.119 0.429 -3.475 1.00 31.22 C ATOM 1290 CG2 VAL A 82 -10.025 1.822 -3.604 1.00 21.24 C ATOM 0 H VAL A 82 -12.008 -1.396 -5.532 1.00 74.42 H new ATOM 0 HA VAL A 82 -9.735 0.426 -6.011 1.00 23.22 H new ATOM 0 HB VAL A 82 -11.577 1.752 -5.061 1.00 65.22 H new ATOM 0 HG11 VAL A 82 -12.566 1.211 -2.860 1.00 31.22 H new ATOM 0 HG12 VAL A 82 -12.895 -0.052 -4.071 1.00 31.22 H new ATOM 0 HG13 VAL A 82 -11.644 -0.312 -2.832 1.00 31.22 H new ATOM 0 HG21 VAL A 82 -10.520 2.574 -2.990 1.00 21.24 H new ATOM 0 HG22 VAL A 82 -9.473 1.135 -2.962 1.00 21.24 H new ATOM 0 HG23 VAL A 82 -9.334 2.312 -4.290 1.00 21.24 H new ATOM 1300 N ILE A 83 -8.310 -0.634 -4.186 1.00 14.40 N ATOM 1301 CA ILE A 83 -7.405 -1.397 -3.307 1.00 64.51 C ATOM 1302 C ILE A 83 -6.876 -0.493 -2.171 1.00 71.43 C ATOM 1303 O ILE A 83 -6.548 0.673 -2.405 1.00 34.21 O ATOM 1304 CB ILE A 83 -6.198 -1.973 -4.098 1.00 2.21 C ATOM 1305 CG1 ILE A 83 -6.678 -2.710 -5.363 1.00 62.02 C ATOM 1306 CG2 ILE A 83 -5.371 -2.911 -3.213 1.00 14.44 C ATOM 1307 CD1 ILE A 83 -5.556 -3.256 -6.224 1.00 34.33 C ATOM 0 H ILE A 83 -7.881 0.194 -4.600 1.00 14.40 H new ATOM 0 HA ILE A 83 -7.977 -2.225 -2.888 1.00 64.51 H new ATOM 0 HB ILE A 83 -5.564 -1.141 -4.405 1.00 2.21 H new ATOM 0 HG12 ILE A 83 -7.328 -3.533 -5.066 1.00 62.02 H new ATOM 0 HG13 ILE A 83 -7.282 -2.027 -5.961 1.00 62.02 H new ATOM 0 HG21 ILE A 83 -4.531 -3.304 -3.785 1.00 14.44 H new ATOM 0 HG22 ILE A 83 -4.997 -2.361 -2.350 1.00 14.44 H new ATOM 0 HG23 ILE A 83 -5.997 -3.737 -2.874 1.00 14.44 H new ATOM 0 HD11 ILE A 83 -5.977 -3.760 -7.094 1.00 34.33 H new ATOM 0 HD12 ILE A 83 -4.918 -2.436 -6.553 1.00 34.33 H new ATOM 0 HD13 ILE A 83 -4.965 -3.965 -5.645 1.00 34.33 H new ATOM 1319 N ASN A 84 -6.778 -1.035 -0.952 1.00 72.44 N ATOM 1320 CA ASN A 84 -6.368 -0.240 0.224 1.00 15.30 C ATOM 1321 C ASN A 84 -5.147 -0.849 0.942 1.00 42.45 C ATOM 1322 O ASN A 84 -5.034 -2.071 1.072 1.00 70.14 O ATOM 1323 CB ASN A 84 -7.539 -0.132 1.209 1.00 43.14 C ATOM 1324 CG ASN A 84 -8.788 0.443 0.566 1.00 30.42 C ATOM 1325 OD1 ASN A 84 -9.619 -0.285 0.038 1.00 42.14 O ATOM 1326 ND2 ASN A 84 -8.932 1.751 0.605 1.00 15.11 N ATOM 0 H ASN A 84 -6.975 -2.015 -0.749 1.00 72.44 H new ATOM 0 HA ASN A 84 -6.083 0.749 -0.134 1.00 15.30 H new ATOM 0 HB2 ASN A 84 -7.763 -1.120 1.612 1.00 43.14 H new ATOM 0 HB3 ASN A 84 -7.245 0.496 2.050 1.00 43.14 H new ATOM 0 HD21 ASN A 84 -9.755 2.186 0.188 1.00 15.11 H new ATOM 0 HD22 ASN A 84 -8.221 2.329 1.053 1.00 15.11 H new ATOM 1333 N GLY A 85 -4.239 0.015 1.414 1.00 11.42 N ATOM 1334 CA GLY A 85 -3.053 -0.452 2.133 1.00 23.54 C ATOM 1335 C GLY A 85 -2.386 0.638 2.978 1.00 33.12 C ATOM 1336 O GLY A 85 -2.808 1.793 2.958 1.00 41.24 O ATOM 0 H GLY A 85 -4.303 1.028 1.312 1.00 11.42 H new ATOM 0 HA2 GLY A 85 -3.333 -1.283 2.780 1.00 23.54 H new ATOM 0 HA3 GLY A 85 -2.330 -0.838 1.414 1.00 23.54 H new ATOM 1340 N VAL A 86 -1.339 0.265 3.723 1.00 22.13 N ATOM 1341 CA VAL A 86 -0.611 1.208 4.594 1.00 24.20 C ATOM 1342 C VAL A 86 0.864 1.343 4.174 1.00 73.43 C ATOM 1343 O VAL A 86 1.531 0.343 3.915 1.00 53.44 O ATOM 1344 CB VAL A 86 -0.647 0.755 6.076 1.00 3.20 C ATOM 1345 CG1 VAL A 86 -0.097 1.845 6.997 1.00 33.12 C ATOM 1346 CG2 VAL A 86 -2.057 0.349 6.490 1.00 42.52 C ATOM 0 H VAL A 86 -0.972 -0.687 3.743 1.00 22.13 H new ATOM 0 HA VAL A 86 -1.114 2.169 4.488 1.00 24.20 H new ATOM 0 HB VAL A 86 -0.005 -0.120 6.174 1.00 3.20 H new ATOM 0 HG11 VAL A 86 -0.134 1.501 8.031 1.00 33.12 H new ATOM 0 HG12 VAL A 86 0.935 2.065 6.724 1.00 33.12 H new ATOM 0 HG13 VAL A 86 -0.700 2.747 6.893 1.00 33.12 H new ATOM 0 HG21 VAL A 86 -2.054 0.036 7.534 1.00 42.52 H new ATOM 0 HG22 VAL A 86 -2.731 1.197 6.368 1.00 42.52 H new ATOM 0 HG23 VAL A 86 -2.396 -0.477 5.864 1.00 42.52 H new ATOM 1356 N LEU A 87 1.374 2.575 4.134 1.00 53.24 N ATOM 1357 CA LEU A 87 2.785 2.819 3.791 1.00 53.45 C ATOM 1358 C LEU A 87 3.716 2.397 4.943 1.00 74.31 C ATOM 1359 O LEU A 87 3.801 3.075 5.963 1.00 22.12 O ATOM 1360 CB LEU A 87 3.002 4.307 3.459 1.00 10.45 C ATOM 1361 CG LEU A 87 4.404 4.678 2.939 1.00 2.23 C ATOM 1362 CD1 LEU A 87 4.733 3.903 1.665 1.00 1.22 C ATOM 1363 CD2 LEU A 87 4.500 6.184 2.691 1.00 22.15 C ATOM 0 H LEU A 87 0.838 3.419 4.333 1.00 53.24 H new ATOM 0 HA LEU A 87 3.028 2.217 2.916 1.00 53.45 H new ATOM 0 HB2 LEU A 87 2.267 4.604 2.711 1.00 10.45 H new ATOM 0 HB3 LEU A 87 2.800 4.893 4.355 1.00 10.45 H new ATOM 0 HG LEU A 87 5.134 4.405 3.701 1.00 2.23 H new ATOM 0 HD11 LEU A 87 5.728 4.181 1.316 1.00 1.22 H new ATOM 0 HD12 LEU A 87 4.708 2.833 1.873 1.00 1.22 H new ATOM 0 HD13 LEU A 87 3.999 4.140 0.895 1.00 1.22 H new ATOM 0 HD21 LEU A 87 5.497 6.430 2.324 1.00 22.15 H new ATOM 0 HD22 LEU A 87 3.757 6.479 1.949 1.00 22.15 H new ATOM 0 HD23 LEU A 87 4.315 6.719 3.623 1.00 22.15 H new ATOM 1375 N ILE A 88 4.413 1.281 4.777 1.00 24.14 N ATOM 1376 CA ILE A 88 5.297 0.755 5.830 1.00 21.54 C ATOM 1377 C ILE A 88 6.761 0.690 5.366 1.00 54.33 C ATOM 1378 O ILE A 88 7.098 1.111 4.259 1.00 72.14 O ATOM 1379 CB ILE A 88 4.855 -0.658 6.285 1.00 43.13 C ATOM 1380 CG1 ILE A 88 5.053 -1.671 5.145 1.00 64.22 C ATOM 1381 CG2 ILE A 88 3.399 -0.640 6.754 1.00 41.14 C ATOM 1382 CD1 ILE A 88 4.711 -3.097 5.521 1.00 10.43 C ATOM 0 H ILE A 88 4.389 0.717 3.927 1.00 24.14 H new ATOM 0 HA ILE A 88 5.220 1.447 6.668 1.00 21.54 H new ATOM 0 HB ILE A 88 5.476 -0.965 7.127 1.00 43.13 H new ATOM 0 HG12 ILE A 88 4.437 -1.372 4.297 1.00 64.22 H new ATOM 0 HG13 ILE A 88 6.091 -1.632 4.815 1.00 64.22 H new ATOM 0 HG21 ILE A 88 3.106 -1.641 7.070 1.00 41.14 H new ATOM 0 HG22 ILE A 88 3.295 0.050 7.592 1.00 41.14 H new ATOM 0 HG23 ILE A 88 2.757 -0.316 5.935 1.00 41.14 H new ATOM 0 HD11 ILE A 88 4.877 -3.749 4.664 1.00 10.43 H new ATOM 0 HD12 ILE A 88 5.344 -3.417 6.348 1.00 10.43 H new ATOM 0 HD13 ILE A 88 3.665 -3.153 5.822 1.00 10.43 H new ATOM 1394 N ARG A 89 7.626 0.147 6.223 1.00 12.21 N ATOM 1395 CA ARG A 89 9.051 -0.010 5.907 1.00 73.01 C ATOM 1396 C ARG A 89 9.573 -1.380 6.371 1.00 50.15 C ATOM 1397 O ARG A 89 10.023 -1.537 7.509 1.00 54.43 O ATOM 1398 CB ARG A 89 9.887 1.112 6.558 1.00 13.41 C ATOM 1399 CG ARG A 89 9.542 2.522 6.076 1.00 53.02 C ATOM 1400 CD ARG A 89 9.852 2.718 4.590 1.00 2.45 C ATOM 1401 NE ARG A 89 11.276 2.570 4.294 1.00 54.31 N ATOM 1402 CZ ARG A 89 11.808 2.804 3.125 1.00 14.21 C ATOM 1403 NH1 ARG A 89 11.085 3.218 2.135 1.00 65.35 N ATOM 1404 NH2 ARG A 89 13.074 2.635 2.951 1.00 32.45 N ATOM 0 H ARG A 89 7.365 -0.194 7.148 1.00 12.21 H new ATOM 0 HA ARG A 89 9.154 0.056 4.824 1.00 73.01 H new ATOM 0 HB2 ARG A 89 9.752 1.068 7.639 1.00 13.41 H new ATOM 0 HB3 ARG A 89 10.942 0.922 6.361 1.00 13.41 H new ATOM 0 HG2 ARG A 89 8.484 2.716 6.253 1.00 53.02 H new ATOM 0 HG3 ARG A 89 10.102 3.251 6.661 1.00 53.02 H new ATOM 0 HD2 ARG A 89 9.285 1.994 4.005 1.00 2.45 H new ATOM 0 HD3 ARG A 89 9.520 3.709 4.280 1.00 2.45 H new ATOM 0 HE ARG A 89 11.892 2.265 5.048 1.00 54.31 H new ATOM 0 HH11 ARG A 89 10.084 3.366 2.262 1.00 65.35 H new ATOM 0 HH12 ARG A 89 11.516 3.396 1.228 1.00 65.35 H new ATOM 0 HH21 ARG A 89 13.658 2.319 3.726 1.00 32.45 H new ATOM 0 HH22 ARG A 89 13.492 2.817 2.039 1.00 32.45 H new ATOM 1418 N GLU A 90 9.482 -2.378 5.495 1.00 52.11 N ATOM 1419 CA GLU A 90 10.022 -3.713 5.781 1.00 73.22 C ATOM 1420 C GLU A 90 11.493 -3.794 5.368 1.00 3.35 C ATOM 1421 O GLU A 90 12.322 -4.387 6.063 1.00 23.21 O ATOM 1422 CB GLU A 90 9.210 -4.789 5.047 1.00 71.12 C ATOM 1423 CG GLU A 90 7.747 -4.858 5.472 1.00 44.54 C ATOM 1424 CD GLU A 90 7.568 -5.177 6.950 1.00 50.21 C ATOM 1425 OE1 GLU A 90 7.690 -6.364 7.328 1.00 1.45 O ATOM 1426 OE2 GLU A 90 7.297 -4.249 7.742 1.00 20.43 O ATOM 0 H GLU A 90 9.040 -2.291 4.580 1.00 52.11 H new ATOM 0 HA GLU A 90 9.948 -3.890 6.854 1.00 73.22 H new ATOM 0 HB2 GLU A 90 9.258 -4.598 3.975 1.00 71.12 H new ATOM 0 HB3 GLU A 90 9.674 -5.760 5.219 1.00 71.12 H new ATOM 0 HG2 GLU A 90 7.266 -3.905 5.251 1.00 44.54 H new ATOM 0 HG3 GLU A 90 7.238 -5.617 4.878 1.00 44.54 H new ATOM 1433 N LEU A 91 11.798 -3.183 4.231 1.00 71.50 N ATOM 1434 CA LEU A 91 13.162 -3.103 3.715 1.00 11.24 C ATOM 1435 C LEU A 91 13.442 -1.695 3.176 1.00 44.12 C ATOM 1436 O LEU A 91 12.535 -1.015 2.692 1.00 3.32 O ATOM 1437 CB LEU A 91 13.376 -4.172 2.629 1.00 24.14 C ATOM 1438 CG LEU A 91 12.323 -4.210 1.500 1.00 51.11 C ATOM 1439 CD1 LEU A 91 12.639 -3.201 0.395 1.00 64.01 C ATOM 1440 CD2 LEU A 91 12.202 -5.620 0.933 1.00 24.43 C ATOM 0 H LEU A 91 11.106 -2.727 3.637 1.00 71.50 H new ATOM 0 HA LEU A 91 13.866 -3.297 4.524 1.00 11.24 H new ATOM 0 HB2 LEU A 91 14.356 -4.014 2.179 1.00 24.14 H new ATOM 0 HB3 LEU A 91 13.400 -5.150 3.110 1.00 24.14 H new ATOM 0 HG LEU A 91 11.363 -3.925 1.931 1.00 51.11 H new ATOM 0 HD11 LEU A 91 11.875 -3.259 -0.380 1.00 64.01 H new ATOM 0 HD12 LEU A 91 12.655 -2.195 0.814 1.00 64.01 H new ATOM 0 HD13 LEU A 91 13.613 -3.429 -0.038 1.00 64.01 H new ATOM 0 HD21 LEU A 91 11.456 -5.630 0.138 1.00 24.43 H new ATOM 0 HD22 LEU A 91 13.165 -5.934 0.530 1.00 24.43 H new ATOM 0 HD23 LEU A 91 11.898 -6.306 1.724 1.00 24.43 H new ATOM 1452 N GLU A 92 14.686 -1.248 3.272 1.00 24.24 N ATOM 1453 CA GLU A 92 15.043 0.103 2.835 1.00 4.14 C ATOM 1454 C GLU A 92 15.166 0.199 1.304 1.00 75.41 C ATOM 1455 O GLU A 92 14.680 1.154 0.693 1.00 51.12 O ATOM 1456 CB GLU A 92 16.348 0.545 3.503 1.00 41.43 C ATOM 1457 CG GLU A 92 16.712 2.002 3.241 1.00 62.20 C ATOM 1458 CD GLU A 92 17.953 2.431 4.000 1.00 20.13 C ATOM 1459 OE1 GLU A 92 17.846 2.714 5.212 1.00 62.34 O ATOM 1460 OE2 GLU A 92 19.044 2.478 3.393 1.00 33.20 O ATOM 0 H GLU A 92 15.463 -1.793 3.645 1.00 24.24 H new ATOM 0 HA GLU A 92 14.238 0.772 3.139 1.00 4.14 H new ATOM 0 HB2 GLU A 92 16.265 0.389 4.579 1.00 41.43 H new ATOM 0 HB3 GLU A 92 17.159 -0.091 3.150 1.00 41.43 H new ATOM 0 HG2 GLU A 92 16.874 2.147 2.173 1.00 62.20 H new ATOM 0 HG3 GLU A 92 15.876 2.640 3.526 1.00 62.20 H new ATOM 1467 N HIS A 93 15.828 -0.782 0.693 1.00 14.14 N ATOM 1468 CA HIS A 93 16.014 -0.812 -0.765 1.00 64.13 C ATOM 1469 C HIS A 93 15.903 -2.243 -1.311 1.00 64.15 C ATOM 1470 O HIS A 93 16.591 -3.153 -0.844 1.00 4.45 O ATOM 1471 CB HIS A 93 17.377 -0.215 -1.143 1.00 25.11 C ATOM 1472 CG HIS A 93 17.517 1.239 -0.812 1.00 70.13 C ATOM 1473 ND1 HIS A 93 18.485 1.728 0.029 1.00 31.35 N ATOM 1474 CD2 HIS A 93 16.812 2.314 -1.232 1.00 3.44 C ATOM 1475 CE1 HIS A 93 18.373 3.037 0.118 1.00 43.32 C ATOM 1476 NE2 HIS A 93 17.365 3.423 -0.640 1.00 53.14 N ATOM 0 H HIS A 93 16.248 -1.572 1.183 1.00 14.14 H new ATOM 0 HA HIS A 93 15.222 -0.212 -1.213 1.00 64.13 H new ATOM 0 HB2 HIS A 93 18.161 -0.771 -0.629 1.00 25.11 H new ATOM 0 HB3 HIS A 93 17.538 -0.351 -2.212 1.00 25.11 H new ATOM 0 HD2 HIS A 93 15.970 2.302 -1.908 1.00 3.44 H new ATOM 0 HE1 HIS A 93 19.001 3.685 0.712 1.00 43.32 H new ATOM 0 HE2 HIS A 93 17.049 4.385 -0.766 1.00 53.14 H new ATOM 1485 N HIS A 94 15.041 -2.432 -2.308 1.00 62.20 N ATOM 1486 CA HIS A 94 14.813 -3.752 -2.905 1.00 44.12 C ATOM 1487 C HIS A 94 16.016 -4.230 -3.739 1.00 31.41 C ATOM 1488 O HIS A 94 16.121 -3.941 -4.932 1.00 10.31 O ATOM 1489 CB HIS A 94 13.555 -3.724 -3.775 1.00 51.30 C ATOM 1490 CG HIS A 94 13.210 -5.045 -4.388 1.00 52.22 C ATOM 1491 ND1 HIS A 94 13.726 -5.467 -5.593 1.00 33.01 N ATOM 1492 CD2 HIS A 94 12.403 -6.042 -3.958 1.00 44.30 C ATOM 1493 CE1 HIS A 94 13.253 -6.662 -5.879 1.00 41.24 C ATOM 1494 NE2 HIS A 94 12.449 -7.039 -4.905 1.00 75.43 N ATOM 0 H HIS A 94 14.485 -1.685 -2.723 1.00 62.20 H new ATOM 0 HA HIS A 94 14.680 -4.460 -2.087 1.00 44.12 H new ATOM 0 HB2 HIS A 94 12.714 -3.385 -3.170 1.00 51.30 H new ATOM 0 HB3 HIS A 94 13.691 -2.991 -4.570 1.00 51.30 H new ATOM 0 HD1 HIS A 94 14.374 -4.936 -6.174 1.00 33.01 H new ATOM 0 HD2 HIS A 94 11.830 -6.053 -3.043 1.00 44.30 H new ATOM 0 HE1 HIS A 94 13.485 -7.237 -6.763 1.00 41.24 H new ATOM 1503 N HIS A 95 16.929 -4.948 -3.094 1.00 31.10 N ATOM 1504 CA HIS A 95 18.075 -5.560 -3.781 1.00 72.55 C ATOM 1505 C HIS A 95 18.340 -6.977 -3.245 1.00 43.40 C ATOM 1506 O HIS A 95 17.605 -7.474 -2.389 1.00 43.32 O ATOM 1507 CB HIS A 95 19.331 -4.682 -3.632 1.00 12.14 C ATOM 1508 CG HIS A 95 19.207 -3.340 -4.294 1.00 12.34 C ATOM 1509 ND1 HIS A 95 19.370 -3.150 -5.649 1.00 64.21 N ATOM 1510 CD2 HIS A 95 18.911 -2.120 -3.786 1.00 34.43 C ATOM 1511 CE1 HIS A 95 19.178 -1.882 -5.944 1.00 2.31 C ATOM 1512 NE2 HIS A 95 18.897 -1.230 -4.836 1.00 45.52 N ATOM 0 H HIS A 95 16.902 -5.125 -2.090 1.00 31.10 H new ATOM 0 HA HIS A 95 17.833 -5.636 -4.841 1.00 72.55 H new ATOM 0 HB2 HIS A 95 19.539 -4.537 -2.572 1.00 12.14 H new ATOM 0 HB3 HIS A 95 20.186 -5.210 -4.056 1.00 12.14 H new ATOM 0 HD2 HIS A 95 18.721 -1.888 -2.748 1.00 34.43 H new ATOM 0 HE1 HIS A 95 19.241 -1.449 -6.931 1.00 2.31 H new ATOM 0 HE2 HIS A 95 18.701 -0.231 -4.767 1.00 45.52 H new ATOM 1521 N HIS A 96 19.380 -7.630 -3.762 1.00 34.53 N ATOM 1522 CA HIS A 96 19.717 -9.000 -3.354 1.00 64.23 C ATOM 1523 C HIS A 96 20.780 -9.010 -2.246 1.00 40.25 C ATOM 1524 O HIS A 96 21.979 -8.883 -2.511 1.00 14.40 O ATOM 1525 CB HIS A 96 20.209 -9.811 -4.562 1.00 65.23 C ATOM 1526 CG HIS A 96 19.205 -9.909 -5.669 1.00 31.52 C ATOM 1527 ND1 HIS A 96 19.231 -9.102 -6.785 1.00 15.31 N ATOM 1528 CD2 HIS A 96 18.140 -10.728 -5.829 1.00 72.33 C ATOM 1529 CE1 HIS A 96 18.228 -9.418 -7.580 1.00 63.33 C ATOM 1530 NE2 HIS A 96 17.552 -10.400 -7.024 1.00 72.25 N ATOM 0 H HIS A 96 20.006 -7.236 -4.464 1.00 34.53 H new ATOM 0 HA HIS A 96 18.812 -9.460 -2.958 1.00 64.23 H new ATOM 0 HB2 HIS A 96 21.120 -9.354 -4.949 1.00 65.23 H new ATOM 0 HB3 HIS A 96 20.472 -10.816 -4.231 1.00 65.23 H new ATOM 0 HD2 HIS A 96 17.814 -11.496 -5.144 1.00 72.33 H new ATOM 0 HE1 HIS A 96 18.000 -8.950 -8.526 1.00 63.33 H new ATOM 0 HE2 HIS A 96 16.724 -10.846 -7.418 1.00 72.25 H new ATOM 1539 N HIS A 97 20.336 -9.152 -1.002 1.00 53.04 N ATOM 1540 CA HIS A 97 21.249 -9.217 0.141 1.00 64.31 C ATOM 1541 C HIS A 97 21.184 -10.593 0.817 1.00 51.24 C ATOM 1542 O HIS A 97 20.149 -10.979 1.360 1.00 10.33 O ATOM 1543 CB HIS A 97 20.910 -8.118 1.155 1.00 63.45 C ATOM 1544 CG HIS A 97 21.897 -8.013 2.281 1.00 40.40 C ATOM 1545 ND1 HIS A 97 21.748 -8.671 3.484 1.00 42.42 N ATOM 1546 CD2 HIS A 97 23.057 -7.322 2.377 1.00 50.13 C ATOM 1547 CE1 HIS A 97 22.770 -8.388 4.268 1.00 53.35 C ATOM 1548 NE2 HIS A 97 23.576 -7.573 3.621 1.00 24.34 N ATOM 0 H HIS A 97 19.349 -9.225 -0.756 1.00 53.04 H new ATOM 0 HA HIS A 97 22.263 -9.062 -0.226 1.00 64.31 H new ATOM 0 HB2 HIS A 97 20.860 -7.160 0.637 1.00 63.45 H new ATOM 0 HB3 HIS A 97 19.920 -8.309 1.568 1.00 63.45 H new ATOM 0 HD2 HIS A 97 23.492 -6.691 1.616 1.00 50.13 H new ATOM 0 HE1 HIS A 97 22.920 -8.761 5.270 1.00 53.35 H new ATOM 0 HE2 HIS A 97 24.448 -7.189 3.987 1.00 24.34 H new ATOM 1557 N HIS A 98 22.292 -11.326 0.780 1.00 70.21 N ATOM 1558 CA HIS A 98 22.350 -12.676 1.358 1.00 51.23 C ATOM 1559 C HIS A 98 22.742 -12.637 2.851 1.00 35.12 C ATOM 1560 O HIS A 98 21.885 -12.957 3.710 1.00 38.96 O ATOM 1561 CB HIS A 98 23.343 -13.538 0.563 1.00 52.02 C ATOM 1562 CG HIS A 98 23.341 -14.988 0.949 1.00 61.12 C ATOM 1563 ND1 HIS A 98 22.457 -15.906 0.424 1.00 50.25 N ATOM 1564 CD2 HIS A 98 24.126 -15.682 1.809 1.00 23.13 C ATOM 1565 CE1 HIS A 98 22.695 -17.092 0.942 1.00 30.14 C ATOM 1566 NE2 HIS A 98 23.700 -16.988 1.782 1.00 13.32 N ATOM 1567 OXT HIS A 98 23.905 -12.285 3.154 1.00 38.96 O ATOM 0 H HIS A 98 23.166 -11.013 0.357 1.00 70.21 H new ATOM 0 HA HIS A 98 21.356 -13.118 1.293 1.00 51.23 H new ATOM 0 HB2 HIS A 98 23.110 -13.455 -0.499 1.00 52.02 H new ATOM 0 HB3 HIS A 98 24.347 -13.138 0.701 1.00 52.02 H new ATOM 0 HD2 HIS A 98 24.934 -15.283 2.404 1.00 23.13 H new ATOM 0 HE1 HIS A 98 22.155 -17.999 0.715 1.00 30.14 H new ATOM 0 HE2 HIS A 98 24.099 -17.753 2.326 1.00 13.32 H new TER 1576 HIS A 98