USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 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= -0.137 USER MOD Single : A 14 ASN : amide:sc= -0.886 K(o=-0.89,f=-0.0087) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0691 (180deg=-0.357) 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= -0.526 K(o=-0.53,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot -69:sc= 0.217 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= 1.25 (180deg=0.715) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -2.75 K(o=-2.8,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 49 ASN : amide:sc= -0.0794 K(o=-0.079,f=-0.65) USER MOD Single : A 51 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.046) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 66 THR OG1 : rot -46:sc= 1.18 USER MOD Single : A 67 ASN : amide:sc= -4.26! C(o=-4.3!,f=-17!) USER MOD Single : A 70 ASN : amide:sc= -1.07 K(o=-1.1,f=-7.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.44) USER MOD Single : A 84 ASN : amide:sc= -0.88 X(o=-0.88,f=-0.48) USER MOD Single : A 93 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.28) USER MOD Single : A 94 HIS : no HD1:sc= 0.687 K(o=0.69,f=-2.2!) USER MOD Single : A 95 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.65) USER MOD Single : A 96 HIS : no HE2:sc=-0.00415 X(o=-0.0042,f=-0.33) USER MOD Single : A 97 HIS : no HE2:sc= -0.542 K(o=-0.54,f=-2.3!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.062 27.671 -28.617 1.00 44.53 N ATOM 2 CA GLY A 1 -36.758 27.327 -27.196 1.00 75.02 C ATOM 3 C GLY A 1 -35.492 26.490 -27.040 1.00 62.30 C ATOM 4 O GLY A 1 -35.366 25.432 -27.651 1.00 42.31 O ATOM 0 H1 GLY A 1 -37.932 28.239 -28.658 1.00 44.53 H new ATOM 0 H2 GLY A 1 -36.273 28.216 -29.019 1.00 44.53 H new ATOM 0 H3 GLY A 1 -37.193 26.797 -29.165 1.00 44.53 H new ATOM 0 HA2 GLY A 1 -36.651 28.247 -26.621 1.00 75.02 H new ATOM 0 HA3 GLY A 1 -37.601 26.782 -26.772 1.00 75.02 H new ATOM 10 N ASP A 2 -34.553 26.957 -26.211 1.00 12.21 N ATOM 11 CA ASP A 2 -33.276 26.254 -26.009 1.00 62.24 C ATOM 12 C ASP A 2 -33.264 25.417 -24.711 1.00 70.32 C ATOM 13 O ASP A 2 -32.274 24.740 -24.409 1.00 70.23 O ATOM 14 CB ASP A 2 -32.122 27.265 -25.987 1.00 63.44 C ATOM 15 CG ASP A 2 -32.037 28.072 -27.274 1.00 4.52 C ATOM 16 OD1 ASP A 2 -31.501 27.549 -28.272 1.00 40.11 O ATOM 17 OD2 ASP A 2 -32.512 29.226 -27.294 1.00 2.15 O ATOM 0 H ASP A 2 -34.650 27.816 -25.669 1.00 12.21 H new ATOM 0 HA ASP A 2 -33.151 25.563 -26.843 1.00 62.24 H new ATOM 0 HB2 ASP A 2 -32.252 27.943 -25.143 1.00 63.44 H new ATOM 0 HB3 ASP A 2 -31.182 26.737 -25.829 1.00 63.44 H new ATOM 22 N ARG A 3 -34.358 25.453 -23.950 1.00 2.22 N ATOM 23 CA ARG A 3 -34.427 24.722 -22.675 1.00 15.55 C ATOM 24 C ARG A 3 -34.707 23.231 -22.902 1.00 4.33 C ATOM 25 O ARG A 3 -35.662 22.864 -23.585 1.00 41.22 O ATOM 26 CB ARG A 3 -35.503 25.314 -21.747 1.00 63.31 C ATOM 27 CG ARG A 3 -35.195 26.719 -21.229 1.00 51.31 C ATOM 28 CD ARG A 3 -35.285 27.776 -22.325 1.00 64.10 C ATOM 29 NE ARG A 3 -35.044 29.121 -21.810 1.00 11.41 N ATOM 30 CZ ARG A 3 -35.918 30.090 -21.855 1.00 32.33 C ATOM 31 NH1 ARG A 3 -37.095 29.896 -22.361 1.00 31.15 N ATOM 32 NH2 ARG A 3 -35.614 31.255 -21.386 1.00 63.31 N ATOM 0 H ARG A 3 -35.203 25.973 -24.187 1.00 2.22 H new ATOM 0 HA ARG A 3 -33.454 24.828 -22.195 1.00 15.55 H new ATOM 0 HB2 ARG A 3 -36.452 25.339 -22.282 1.00 63.31 H new ATOM 0 HB3 ARG A 3 -35.635 24.648 -20.895 1.00 63.31 H new ATOM 0 HG2 ARG A 3 -35.892 26.969 -20.429 1.00 51.31 H new ATOM 0 HG3 ARG A 3 -34.195 26.733 -20.796 1.00 51.31 H new ATOM 0 HD2 ARG A 3 -34.558 27.551 -23.106 1.00 64.10 H new ATOM 0 HD3 ARG A 3 -36.272 27.736 -22.787 1.00 64.10 H new ATOM 0 HE ARG A 3 -34.136 29.316 -21.389 1.00 11.41 H new ATOM 0 HH11 ARG A 3 -37.347 28.979 -22.729 1.00 31.15 H new ATOM 0 HH12 ARG A 3 -37.770 30.660 -22.391 1.00 31.15 H new ATOM 0 HH21 ARG A 3 -34.692 31.417 -20.981 1.00 63.31 H new ATOM 0 HH22 ARG A 3 -36.296 32.013 -21.421 1.00 63.31 H new ATOM 46 N ARG A 4 -33.880 22.371 -22.314 1.00 72.14 N ATOM 47 CA ARG A 4 -34.040 20.921 -22.473 1.00 22.41 C ATOM 48 C ARG A 4 -34.706 20.304 -21.230 1.00 32.12 C ATOM 49 O ARG A 4 -34.117 20.242 -20.151 1.00 1.24 O ATOM 50 CB ARG A 4 -32.691 20.232 -22.804 1.00 72.12 C ATOM 51 CG ARG A 4 -31.605 20.289 -21.719 1.00 61.40 C ATOM 52 CD ARG A 4 -31.149 21.712 -21.393 1.00 33.30 C ATOM 53 NE ARG A 4 -30.952 22.533 -22.590 1.00 60.03 N ATOM 54 CZ ARG A 4 -29.798 22.769 -23.149 1.00 73.11 C ATOM 55 NH1 ARG A 4 -28.718 22.203 -22.716 1.00 13.45 N ATOM 56 NH2 ARG A 4 -29.731 23.576 -24.155 1.00 4.14 N ATOM 0 H ARG A 4 -33.094 22.647 -21.725 1.00 72.14 H new ATOM 0 HA ARG A 4 -34.701 20.748 -23.322 1.00 22.41 H new ATOM 0 HB2 ARG A 4 -32.890 19.185 -23.032 1.00 72.12 H new ATOM 0 HB3 ARG A 4 -32.291 20.685 -23.711 1.00 72.12 H new ATOM 0 HG2 ARG A 4 -31.983 19.819 -20.811 1.00 61.40 H new ATOM 0 HG3 ARG A 4 -30.744 19.705 -22.045 1.00 61.40 H new ATOM 0 HD2 ARG A 4 -31.889 22.187 -20.750 1.00 33.30 H new ATOM 0 HD3 ARG A 4 -30.217 21.670 -20.829 1.00 33.30 H new ATOM 0 HE ARG A 4 -31.778 22.951 -23.018 1.00 60.03 H new ATOM 0 HH11 ARG A 4 -28.761 21.560 -21.925 1.00 13.45 H new ATOM 0 HH12 ARG A 4 -27.824 22.399 -23.166 1.00 13.45 H new ATOM 0 HH21 ARG A 4 -30.577 24.024 -24.507 1.00 4.14 H new ATOM 0 HH22 ARG A 4 -28.832 23.766 -24.598 1.00 4.14 H new ATOM 70 N VAL A 5 -35.948 19.850 -21.401 1.00 25.34 N ATOM 71 CA VAL A 5 -36.774 19.353 -20.286 1.00 51.02 C ATOM 72 C VAL A 5 -36.412 17.912 -19.866 1.00 24.12 C ATOM 73 O VAL A 5 -37.291 17.093 -19.587 1.00 75.31 O ATOM 74 CB VAL A 5 -38.275 19.416 -20.667 1.00 11.35 C ATOM 75 CG1 VAL A 5 -38.711 20.863 -20.895 1.00 22.33 C ATOM 76 CG2 VAL A 5 -38.560 18.566 -21.908 1.00 11.34 C ATOM 0 H VAL A 5 -36.413 19.814 -22.308 1.00 25.34 H new ATOM 0 HA VAL A 5 -36.571 20.001 -19.434 1.00 51.02 H new ATOM 0 HB VAL A 5 -38.853 19.008 -19.837 1.00 11.35 H new ATOM 0 HG11 VAL A 5 -39.768 20.887 -21.162 1.00 22.33 H new ATOM 0 HG12 VAL A 5 -38.554 21.438 -19.983 1.00 22.33 H new ATOM 0 HG13 VAL A 5 -38.123 21.297 -21.704 1.00 22.33 H new ATOM 0 HG21 VAL A 5 -39.620 18.627 -22.155 1.00 11.34 H new ATOM 0 HG22 VAL A 5 -37.970 18.937 -22.746 1.00 11.34 H new ATOM 0 HG23 VAL A 5 -38.293 17.528 -21.707 1.00 11.34 H new ATOM 86 N ARG A 6 -35.119 17.614 -19.787 1.00 12.41 N ATOM 87 CA ARG A 6 -34.658 16.269 -19.422 1.00 54.44 C ATOM 88 C ARG A 6 -33.206 16.282 -18.911 1.00 3.24 C ATOM 89 O ARG A 6 -32.257 16.321 -19.693 1.00 10.43 O ATOM 90 CB ARG A 6 -34.802 15.313 -20.620 1.00 14.34 C ATOM 91 CG ARG A 6 -34.189 15.843 -21.913 1.00 24.43 C ATOM 92 CD ARG A 6 -34.296 14.833 -23.046 1.00 42.43 C ATOM 93 NE ARG A 6 -33.729 15.348 -24.291 1.00 31.43 N ATOM 94 CZ ARG A 6 -32.593 14.959 -24.799 1.00 1.32 C ATOM 95 NH1 ARG A 6 -31.850 14.102 -24.176 1.00 24.20 N ATOM 96 NH2 ARG A 6 -32.189 15.450 -25.921 1.00 14.11 N ATOM 0 H ARG A 6 -34.369 18.281 -19.970 1.00 12.41 H new ATOM 0 HA ARG A 6 -35.287 15.912 -18.606 1.00 54.44 H new ATOM 0 HB2 ARG A 6 -34.333 14.361 -20.371 1.00 14.34 H new ATOM 0 HB3 ARG A 6 -35.860 15.113 -20.787 1.00 14.34 H new ATOM 0 HG2 ARG A 6 -34.691 16.767 -22.201 1.00 24.43 H new ATOM 0 HG3 ARG A 6 -33.141 16.089 -21.744 1.00 24.43 H new ATOM 0 HD2 ARG A 6 -33.780 13.915 -22.764 1.00 42.43 H new ATOM 0 HD3 ARG A 6 -35.343 14.574 -23.204 1.00 42.43 H new ATOM 0 HE ARG A 6 -34.257 16.059 -24.796 1.00 31.43 H new ATOM 0 HH11 ARG A 6 -32.151 13.724 -23.278 1.00 24.20 H new ATOM 0 HH12 ARG A 6 -30.963 13.805 -24.583 1.00 24.20 H new ATOM 0 HH21 ARG A 6 -32.758 16.141 -26.409 1.00 14.11 H new ATOM 0 HH22 ARG A 6 -31.301 15.147 -26.320 1.00 14.11 H new ATOM 110 N LEU A 7 -33.042 16.269 -17.589 1.00 73.43 N ATOM 111 CA LEU A 7 -31.708 16.256 -16.968 1.00 72.11 C ATOM 112 C LEU A 7 -31.350 14.859 -16.428 1.00 53.33 C ATOM 113 O LEU A 7 -30.264 14.655 -15.881 1.00 61.22 O ATOM 114 CB LEU A 7 -31.625 17.294 -15.832 1.00 54.24 C ATOM 115 CG LEU A 7 -31.625 18.775 -16.268 1.00 3.32 C ATOM 116 CD1 LEU A 7 -32.971 19.185 -16.860 1.00 13.10 C ATOM 117 CD2 LEU A 7 -31.256 19.679 -15.095 1.00 31.24 C ATOM 0 H LEU A 7 -33.814 16.267 -16.922 1.00 73.43 H new ATOM 0 HA LEU A 7 -30.987 16.517 -17.742 1.00 72.11 H new ATOM 0 HB2 LEU A 7 -32.467 17.134 -15.158 1.00 54.24 H new ATOM 0 HB3 LEU A 7 -30.717 17.104 -15.259 1.00 54.24 H new ATOM 0 HG LEU A 7 -30.872 18.891 -17.048 1.00 3.32 H new ATOM 0 HD11 LEU A 7 -32.934 20.233 -17.156 1.00 13.10 H new ATOM 0 HD12 LEU A 7 -33.187 18.569 -17.733 1.00 13.10 H new ATOM 0 HD13 LEU A 7 -33.754 19.046 -16.115 1.00 13.10 H new ATOM 0 HD21 LEU A 7 -31.261 20.719 -15.421 1.00 31.24 H new ATOM 0 HD22 LEU A 7 -31.981 19.547 -14.292 1.00 31.24 H new ATOM 0 HD23 LEU A 7 -30.262 19.417 -14.733 1.00 31.24 H new ATOM 129 N ILE A 8 -32.267 13.905 -16.585 1.00 54.11 N ATOM 130 CA ILE A 8 -32.054 12.529 -16.116 1.00 22.34 C ATOM 131 C ILE A 8 -31.036 11.790 -17.011 1.00 25.44 C ATOM 132 O ILE A 8 -31.096 11.865 -18.240 1.00 3.11 O ATOM 133 CB ILE A 8 -33.409 11.757 -16.052 1.00 0.14 C ATOM 134 CG1 ILE A 8 -33.265 10.386 -15.342 1.00 15.44 C ATOM 135 CG2 ILE A 8 -34.008 11.587 -17.449 1.00 70.14 C ATOM 136 CD1 ILE A 8 -32.747 9.251 -16.214 1.00 73.51 C ATOM 0 H ILE A 8 -33.170 14.057 -17.035 1.00 54.11 H new ATOM 0 HA ILE A 8 -31.639 12.572 -15.109 1.00 22.34 H new ATOM 0 HB ILE A 8 -34.094 12.359 -15.455 1.00 0.14 H new ATOM 0 HG12 ILE A 8 -32.593 10.505 -14.492 1.00 15.44 H new ATOM 0 HG13 ILE A 8 -34.237 10.099 -14.942 1.00 15.44 H new ATOM 0 HG21 ILE A 8 -34.952 11.046 -17.377 1.00 70.14 H new ATOM 0 HG22 ILE A 8 -34.185 12.568 -17.891 1.00 70.14 H new ATOM 0 HG23 ILE A 8 -33.315 11.026 -18.076 1.00 70.14 H new ATOM 0 HD11 ILE A 8 -32.683 8.338 -15.623 1.00 73.51 H new ATOM 0 HD12 ILE A 8 -33.428 9.095 -17.051 1.00 73.51 H new ATOM 0 HD13 ILE A 8 -31.758 9.507 -16.594 1.00 73.51 H new ATOM 148 N ARG A 9 -30.086 11.096 -16.383 1.00 54.13 N ATOM 149 CA ARG A 9 -29.050 10.354 -17.113 1.00 72.43 C ATOM 150 C ARG A 9 -28.963 8.885 -16.675 1.00 71.11 C ATOM 151 O ARG A 9 -28.894 8.577 -15.483 1.00 11.21 O ATOM 152 CB ARG A 9 -27.681 11.027 -16.924 1.00 54.33 C ATOM 153 CG ARG A 9 -27.458 12.253 -17.805 1.00 24.34 C ATOM 154 CD ARG A 9 -27.537 11.892 -19.285 1.00 1.31 C ATOM 155 NE ARG A 9 -26.741 10.703 -19.597 1.00 12.13 N ATOM 156 CZ ARG A 9 -26.863 9.997 -20.689 1.00 73.35 C ATOM 157 NH1 ARG A 9 -27.687 10.356 -21.623 1.00 52.13 N ATOM 158 NH2 ARG A 9 -26.157 8.926 -20.840 1.00 70.23 N ATOM 0 H ARG A 9 -30.010 11.030 -15.368 1.00 54.13 H new ATOM 0 HA ARG A 9 -29.331 10.370 -18.166 1.00 72.43 H new ATOM 0 HB2 ARG A 9 -27.574 11.320 -15.880 1.00 54.33 H new ATOM 0 HB3 ARG A 9 -26.898 10.297 -17.132 1.00 54.33 H new ATOM 0 HG2 ARG A 9 -28.206 13.011 -17.573 1.00 24.34 H new ATOM 0 HG3 ARG A 9 -26.483 12.689 -17.586 1.00 24.34 H new ATOM 0 HD2 ARG A 9 -28.577 11.716 -19.562 1.00 1.31 H new ATOM 0 HD3 ARG A 9 -27.185 12.732 -19.884 1.00 1.31 H new ATOM 0 HE ARG A 9 -26.043 10.406 -18.915 1.00 12.13 H new ATOM 0 HH11 ARG A 9 -28.250 11.199 -21.510 1.00 52.13 H new ATOM 0 HH12 ARG A 9 -27.772 9.795 -22.471 1.00 52.13 H new ATOM 0 HH21 ARG A 9 -25.508 8.635 -20.108 1.00 70.23 H new ATOM 0 HH22 ARG A 9 -26.248 8.371 -21.691 1.00 70.23 H new ATOM 172 N THR A 10 -28.965 7.986 -17.656 1.00 23.34 N ATOM 173 CA THR A 10 -28.765 6.551 -17.413 1.00 60.15 C ATOM 174 C THR A 10 -27.942 5.920 -18.545 1.00 10.55 C ATOM 175 O THR A 10 -27.804 6.508 -19.620 1.00 31.33 O ATOM 176 CB THR A 10 -30.107 5.791 -17.282 1.00 43.54 C ATOM 177 OG1 THR A 10 -29.859 4.406 -17.002 1.00 5.14 O ATOM 178 CG2 THR A 10 -30.943 5.915 -18.554 1.00 74.20 C ATOM 0 H THR A 10 -29.104 8.225 -18.638 1.00 23.34 H new ATOM 0 HA THR A 10 -28.226 6.465 -16.469 1.00 60.15 H new ATOM 0 HB THR A 10 -30.667 6.238 -16.461 1.00 43.54 H new ATOM 0 HG1 THR A 10 -30.712 3.931 -16.919 1.00 5.14 H new ATOM 0 HG21 THR A 10 -31.879 5.370 -18.429 1.00 74.20 H new ATOM 0 HG22 THR A 10 -31.158 6.966 -18.747 1.00 74.20 H new ATOM 0 HG23 THR A 10 -30.390 5.497 -19.395 1.00 74.20 H new ATOM 186 N ARG A 11 -27.398 4.725 -18.308 1.00 41.05 N ATOM 187 CA ARG A 11 -26.546 4.059 -19.303 1.00 24.03 C ATOM 188 C ARG A 11 -26.400 2.555 -19.009 1.00 11.10 C ATOM 189 O ARG A 11 -25.843 2.160 -17.984 1.00 3.43 O ATOM 190 CB ARG A 11 -25.161 4.726 -19.341 1.00 34.34 C ATOM 191 CG ARG A 11 -24.271 4.252 -20.487 1.00 75.34 C ATOM 192 CD ARG A 11 -22.922 4.968 -20.491 1.00 12.25 C ATOM 193 NE ARG A 11 -23.069 6.425 -20.467 1.00 33.14 N ATOM 194 CZ ARG A 11 -23.204 7.170 -21.533 1.00 53.42 C ATOM 195 NH1 ARG A 11 -23.198 6.641 -22.711 1.00 2.01 N ATOM 196 NH2 ARG A 11 -23.324 8.451 -21.412 1.00 5.44 N ATOM 0 H ARG A 11 -27.529 4.199 -17.444 1.00 41.05 H new ATOM 0 HA ARG A 11 -27.026 4.163 -20.276 1.00 24.03 H new ATOM 0 HB2 ARG A 11 -25.292 5.805 -19.419 1.00 34.34 H new ATOM 0 HB3 ARG A 11 -24.652 4.534 -18.397 1.00 34.34 H new ATOM 0 HG2 ARG A 11 -24.112 3.177 -20.403 1.00 75.34 H new ATOM 0 HG3 ARG A 11 -24.778 4.426 -21.436 1.00 75.34 H new ATOM 0 HD2 ARG A 11 -22.341 4.649 -19.626 1.00 12.25 H new ATOM 0 HD3 ARG A 11 -22.360 4.676 -21.378 1.00 12.25 H new ATOM 0 HE ARG A 11 -23.066 6.889 -19.559 1.00 33.14 H new ATOM 0 HH11 ARG A 11 -23.087 5.633 -22.817 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -23.304 7.232 -23.536 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -23.313 8.879 -20.486 1.00 5.44 H new ATOM 0 HH22 ARG A 11 -23.429 9.034 -22.242 1.00 5.44 H new ATOM 210 N GLY A 12 -26.907 1.723 -19.917 1.00 13.22 N ATOM 211 CA GLY A 12 -26.807 0.275 -19.767 1.00 14.44 C ATOM 212 C GLY A 12 -25.925 -0.364 -20.837 1.00 24.12 C ATOM 213 O GLY A 12 -26.387 -0.646 -21.946 1.00 55.24 O ATOM 0 H GLY A 12 -27.390 2.027 -20.762 1.00 13.22 H new ATOM 0 HA2 GLY A 12 -26.404 0.042 -18.782 1.00 14.44 H new ATOM 0 HA3 GLY A 12 -27.805 -0.162 -19.815 1.00 14.44 H new ATOM 217 N GLY A 13 -24.656 -0.593 -20.510 1.00 34.43 N ATOM 218 CA GLY A 13 -23.728 -1.181 -21.472 1.00 1.50 C ATOM 219 C GLY A 13 -22.454 -1.728 -20.832 1.00 45.44 C ATOM 220 O GLY A 13 -22.452 -2.113 -19.662 1.00 70.21 O ATOM 0 H GLY A 13 -24.250 -0.384 -19.598 1.00 34.43 H new ATOM 0 HA2 GLY A 13 -24.232 -1.987 -22.006 1.00 1.50 H new ATOM 0 HA3 GLY A 13 -23.459 -0.428 -22.213 1.00 1.50 H new ATOM 224 N ASN A 14 -21.369 -1.756 -21.603 1.00 25.10 N ATOM 225 CA ASN A 14 -20.087 -2.296 -21.131 1.00 3.12 C ATOM 226 C ASN A 14 -19.401 -1.359 -20.122 1.00 14.04 C ATOM 227 O ASN A 14 -19.105 -0.203 -20.430 1.00 31.30 O ATOM 228 CB ASN A 14 -19.159 -2.554 -22.326 1.00 11.24 C ATOM 229 CG ASN A 14 -19.693 -3.632 -23.257 1.00 62.42 C ATOM 230 OD1 ASN A 14 -19.533 -3.553 -24.471 1.00 15.23 O ATOM 231 ND2 ASN A 14 -20.301 -4.662 -22.703 1.00 51.13 N ATOM 0 H ASN A 14 -21.348 -1.410 -22.562 1.00 25.10 H new ATOM 0 HA ASN A 14 -20.293 -3.234 -20.616 1.00 3.12 H new ATOM 0 HB2 ASN A 14 -19.027 -1.628 -22.886 1.00 11.24 H new ATOM 0 HB3 ASN A 14 -18.175 -2.849 -21.961 1.00 11.24 H new ATOM 0 HD21 ASN A 14 -20.653 -5.421 -23.287 1.00 51.13 H new ATOM 0 HD22 ASN A 14 -20.419 -4.700 -21.691 1.00 51.13 H new ATOM 238 N THR A 15 -19.138 -1.875 -18.924 1.00 43.23 N ATOM 239 CA THR A 15 -18.494 -1.088 -17.861 1.00 62.41 C ATOM 240 C THR A 15 -16.969 -1.228 -17.902 1.00 1.04 C ATOM 241 O THR A 15 -16.425 -2.056 -18.636 1.00 62.22 O ATOM 242 CB THR A 15 -18.997 -1.506 -16.453 1.00 62.30 C ATOM 243 OG1 THR A 15 -18.397 -0.673 -15.445 1.00 25.55 O ATOM 244 CG2 THR A 15 -18.679 -2.971 -16.159 1.00 23.11 C ATOM 0 H THR A 15 -19.359 -2.835 -18.659 1.00 43.23 H new ATOM 0 HA THR A 15 -18.765 -0.048 -18.044 1.00 62.41 H new ATOM 0 HB THR A 15 -20.080 -1.380 -16.437 1.00 62.30 H new ATOM 0 HG1 THR A 15 -18.722 -0.944 -14.561 1.00 25.55 H new ATOM 0 HG21 THR A 15 -19.045 -3.230 -15.166 1.00 23.11 H new ATOM 0 HG22 THR A 15 -19.164 -3.605 -16.901 1.00 23.11 H new ATOM 0 HG23 THR A 15 -17.601 -3.125 -16.200 1.00 23.11 H new ATOM 252 N LYS A 16 -16.286 -0.414 -17.104 1.00 12.11 N ATOM 253 CA LYS A 16 -14.822 -0.454 -17.015 1.00 22.31 C ATOM 254 C LYS A 16 -14.334 -1.687 -16.231 1.00 72.32 C ATOM 255 O LYS A 16 -15.002 -2.156 -15.307 1.00 25.15 O ATOM 256 CB LYS A 16 -14.296 0.852 -16.381 1.00 41.10 C ATOM 257 CG LYS A 16 -15.039 1.303 -15.115 1.00 61.33 C ATOM 258 CD LYS A 16 -14.608 0.543 -13.858 1.00 61.13 C ATOM 259 CE LYS A 16 -13.177 0.880 -13.442 1.00 15.45 C ATOM 260 NZ LYS A 16 -13.009 2.330 -13.157 1.00 42.32 N ATOM 0 H LYS A 16 -16.722 0.287 -16.505 1.00 12.11 H new ATOM 0 HA LYS A 16 -14.422 -0.539 -18.025 1.00 22.31 H new ATOM 0 HB2 LYS A 16 -13.241 0.721 -16.138 1.00 41.10 H new ATOM 0 HB3 LYS A 16 -14.356 1.648 -17.123 1.00 41.10 H new ATOM 0 HG2 LYS A 16 -14.870 2.369 -14.963 1.00 61.33 H new ATOM 0 HG3 LYS A 16 -16.110 1.168 -15.263 1.00 61.33 H new ATOM 0 HD2 LYS A 16 -15.288 0.782 -13.040 1.00 61.13 H new ATOM 0 HD3 LYS A 16 -14.689 -0.529 -14.038 1.00 61.13 H new ATOM 0 HE2 LYS A 16 -12.911 0.303 -12.556 1.00 15.45 H new ATOM 0 HE3 LYS A 16 -12.489 0.584 -14.234 1.00 15.45 H new ATOM 0 HZ1 LYS A 16 -12.126 2.480 -12.628 1.00 42.32 H new ATOM 0 HZ2 LYS A 16 -12.970 2.858 -14.052 1.00 42.32 H new ATOM 0 HZ3 LYS A 16 -13.813 2.668 -12.591 1.00 42.32 H new ATOM 274 N VAL A 17 -13.175 -2.217 -16.616 1.00 1.55 N ATOM 275 CA VAL A 17 -12.589 -3.375 -15.932 1.00 41.51 C ATOM 276 C VAL A 17 -11.904 -2.960 -14.614 1.00 74.33 C ATOM 277 O VAL A 17 -11.460 -1.821 -14.464 1.00 71.34 O ATOM 278 CB VAL A 17 -11.571 -4.107 -16.848 1.00 53.52 C ATOM 279 CG1 VAL A 17 -10.386 -3.203 -17.187 1.00 24.43 C ATOM 280 CG2 VAL A 17 -11.098 -5.417 -16.217 1.00 15.32 C ATOM 0 H VAL A 17 -12.621 -1.866 -17.397 1.00 1.55 H new ATOM 0 HA VAL A 17 -13.405 -4.059 -15.697 1.00 41.51 H new ATOM 0 HB VAL A 17 -12.082 -4.353 -17.779 1.00 53.52 H new ATOM 0 HG11 VAL A 17 -9.689 -3.742 -17.829 1.00 24.43 H new ATOM 0 HG12 VAL A 17 -10.744 -2.313 -17.705 1.00 24.43 H new ATOM 0 HG13 VAL A 17 -9.879 -2.908 -16.268 1.00 24.43 H new ATOM 0 HG21 VAL A 17 -10.386 -5.905 -16.883 1.00 15.32 H new ATOM 0 HG22 VAL A 17 -10.617 -5.208 -15.262 1.00 15.32 H new ATOM 0 HG23 VAL A 17 -11.953 -6.073 -16.056 1.00 15.32 H new ATOM 290 N ARG A 18 -11.832 -3.892 -13.658 1.00 12.20 N ATOM 291 CA ARG A 18 -11.181 -3.640 -12.361 1.00 41.44 C ATOM 292 C ARG A 18 -9.723 -3.168 -12.514 1.00 73.13 C ATOM 293 O ARG A 18 -9.221 -2.397 -11.693 1.00 62.43 O ATOM 294 CB ARG A 18 -11.204 -4.914 -11.503 1.00 32.31 C ATOM 295 CG ARG A 18 -10.546 -6.122 -12.181 1.00 14.33 C ATOM 296 CD ARG A 18 -10.288 -7.267 -11.204 1.00 54.25 C ATOM 297 NE ARG A 18 -9.255 -6.929 -10.228 1.00 63.41 N ATOM 298 CZ ARG A 18 -8.520 -7.813 -9.600 1.00 5.22 C ATOM 299 NH1 ARG A 18 -8.708 -9.081 -9.794 1.00 61.11 N ATOM 300 NH2 ARG A 18 -7.606 -7.426 -8.770 1.00 52.34 N ATOM 0 H ARG A 18 -12.217 -4.832 -13.755 1.00 12.20 H new ATOM 0 HA ARG A 18 -11.744 -2.842 -11.877 1.00 41.44 H new ATOM 0 HB2 ARG A 18 -10.696 -4.716 -10.559 1.00 32.31 H new ATOM 0 HB3 ARG A 18 -12.238 -5.161 -11.262 1.00 32.31 H new ATOM 0 HG2 ARG A 18 -11.186 -6.475 -12.990 1.00 14.33 H new ATOM 0 HG3 ARG A 18 -9.603 -5.813 -12.632 1.00 14.33 H new ATOM 0 HD2 ARG A 18 -11.213 -7.515 -10.683 1.00 54.25 H new ATOM 0 HD3 ARG A 18 -9.987 -8.156 -11.758 1.00 54.25 H new ATOM 0 HE ARG A 18 -9.096 -5.943 -10.023 1.00 63.41 H new ATOM 0 HH11 ARG A 18 -9.432 -9.396 -10.439 1.00 61.11 H new ATOM 0 HH12 ARG A 18 -8.132 -9.763 -9.301 1.00 61.11 H new ATOM 0 HH21 ARG A 18 -7.457 -6.431 -8.604 1.00 52.34 H new ATOM 0 HH22 ARG A 18 -7.035 -8.116 -8.282 1.00 52.34 H new ATOM 314 N LEU A 19 -9.049 -3.646 -13.559 1.00 71.12 N ATOM 315 CA LEU A 19 -7.626 -3.359 -13.769 1.00 32.11 C ATOM 316 C LEU A 19 -7.220 -3.683 -15.217 1.00 42.05 C ATOM 317 O LEU A 19 -7.484 -4.780 -15.710 1.00 43.52 O ATOM 318 CB LEU A 19 -6.788 -4.180 -12.763 1.00 74.23 C ATOM 319 CG LEU A 19 -5.280 -3.849 -12.673 1.00 30.51 C ATOM 320 CD1 LEU A 19 -4.707 -4.331 -11.341 1.00 0.42 C ATOM 321 CD2 LEU A 19 -4.496 -4.475 -13.827 1.00 64.21 C ATOM 0 H LEU A 19 -9.466 -4.237 -14.278 1.00 71.12 H new ATOM 0 HA LEU A 19 -7.440 -2.298 -13.602 1.00 32.11 H new ATOM 0 HB2 LEU A 19 -7.224 -4.049 -11.772 1.00 74.23 H new ATOM 0 HB3 LEU A 19 -6.889 -5.235 -13.019 1.00 74.23 H new ATOM 0 HG LEU A 19 -5.179 -2.766 -12.741 1.00 30.51 H new ATOM 0 HD11 LEU A 19 -3.645 -4.090 -11.293 1.00 0.42 H new ATOM 0 HD12 LEU A 19 -5.228 -3.837 -10.521 1.00 0.42 H new ATOM 0 HD13 LEU A 19 -4.839 -5.410 -11.257 1.00 0.42 H new ATOM 0 HD21 LEU A 19 -3.441 -4.221 -13.730 1.00 64.21 H new ATOM 0 HD22 LEU A 19 -4.612 -5.558 -13.800 1.00 64.21 H new ATOM 0 HD23 LEU A 19 -4.876 -4.093 -14.774 1.00 64.21 H new ATOM 333 N ALA A 20 -6.587 -2.726 -15.893 1.00 24.45 N ATOM 334 CA ALA A 20 -6.119 -2.924 -17.272 1.00 2.03 C ATOM 335 C ALA A 20 -4.623 -2.603 -17.411 1.00 53.01 C ATOM 336 O ALA A 20 -4.254 -1.507 -17.836 1.00 53.12 O ATOM 337 CB ALA A 20 -6.944 -2.079 -18.241 1.00 42.31 C ATOM 0 H ALA A 20 -6.384 -1.802 -15.511 1.00 24.45 H new ATOM 0 HA ALA A 20 -6.254 -3.976 -17.523 1.00 2.03 H new ATOM 0 HB1 ALA A 20 -6.585 -2.237 -19.258 1.00 42.31 H new ATOM 0 HB2 ALA A 20 -7.992 -2.371 -18.177 1.00 42.31 H new ATOM 0 HB3 ALA A 20 -6.844 -1.025 -17.981 1.00 42.31 H new ATOM 343 N SER A 21 -3.773 -3.561 -17.013 1.00 54.14 N ATOM 344 CA SER A 21 -2.299 -3.422 -17.071 1.00 73.13 C ATOM 345 C SER A 21 -1.760 -2.446 -16.007 1.00 34.33 C ATOM 346 O SER A 21 -0.767 -2.728 -15.334 1.00 63.33 O ATOM 347 CB SER A 21 -1.837 -2.985 -18.471 1.00 22.41 C ATOM 348 OG SER A 21 -2.213 -3.935 -19.457 1.00 61.14 O ATOM 0 H SER A 21 -4.083 -4.458 -16.640 1.00 54.14 H new ATOM 0 HA SER A 21 -1.887 -4.407 -16.855 1.00 73.13 H new ATOM 0 HB2 SER A 21 -2.271 -2.015 -18.713 1.00 22.41 H new ATOM 0 HB3 SER A 21 -0.754 -2.860 -18.477 1.00 22.41 H new ATOM 0 HG SER A 21 -1.908 -3.631 -20.337 1.00 61.14 H new ATOM 354 N ASP A 22 -2.411 -1.299 -15.868 1.00 11.41 N ATOM 355 CA ASP A 22 -2.054 -0.311 -14.849 1.00 33.03 C ATOM 356 C ASP A 22 -2.557 -0.759 -13.460 1.00 51.15 C ATOM 357 O ASP A 22 -3.716 -1.143 -13.304 1.00 31.10 O ATOM 358 CB ASP A 22 -2.646 1.050 -15.241 1.00 41.40 C ATOM 359 CG ASP A 22 -2.403 2.124 -14.199 1.00 53.12 C ATOM 360 OD1 ASP A 22 -1.306 2.724 -14.192 1.00 23.21 O ATOM 361 OD2 ASP A 22 -3.305 2.371 -13.379 1.00 22.15 O ATOM 0 H ASP A 22 -3.199 -1.024 -16.454 1.00 11.41 H new ATOM 0 HA ASP A 22 -0.969 -0.222 -14.790 1.00 33.03 H new ATOM 0 HB2 ASP A 22 -2.214 1.368 -16.190 1.00 41.40 H new ATOM 0 HB3 ASP A 22 -3.719 0.941 -15.399 1.00 41.40 H new ATOM 366 N THR A 23 -1.681 -0.714 -12.456 1.00 33.11 N ATOM 367 CA THR A 23 -2.006 -1.234 -11.114 1.00 55.05 C ATOM 368 C THR A 23 -1.892 -0.144 -10.035 1.00 2.12 C ATOM 369 O THR A 23 -0.802 0.354 -9.755 1.00 34.13 O ATOM 370 CB THR A 23 -1.071 -2.417 -10.743 1.00 3.45 C ATOM 371 OG1 THR A 23 -1.156 -3.448 -11.745 1.00 5.11 O ATOM 372 CG2 THR A 23 -1.431 -3.007 -9.383 1.00 75.33 C ATOM 0 H THR A 23 -0.742 -0.325 -12.539 1.00 33.11 H new ATOM 0 HA THR A 23 -3.039 -1.579 -11.150 1.00 55.05 H new ATOM 0 HB THR A 23 -0.053 -2.030 -10.694 1.00 3.45 H new ATOM 0 HG1 THR A 23 -0.562 -4.189 -11.503 1.00 5.11 H new ATOM 0 HG21 THR A 23 -0.757 -3.833 -9.155 1.00 75.33 H new ATOM 0 HG22 THR A 23 -1.336 -2.238 -8.616 1.00 75.33 H new ATOM 0 HG23 THR A 23 -2.458 -3.372 -9.405 1.00 75.33 H new ATOM 380 N ARG A 24 -3.023 0.209 -9.414 1.00 43.22 N ATOM 381 CA ARG A 24 -3.069 1.296 -8.417 1.00 3.11 C ATOM 382 C ARG A 24 -3.444 0.786 -7.015 1.00 72.43 C ATOM 383 O ARG A 24 -4.024 -0.290 -6.865 1.00 15.41 O ATOM 384 CB ARG A 24 -4.086 2.360 -8.854 1.00 11.11 C ATOM 385 CG ARG A 24 -3.802 2.954 -10.228 1.00 41.12 C ATOM 386 CD ARG A 24 -2.539 3.809 -10.240 1.00 14.44 C ATOM 387 NE ARG A 24 -2.095 4.088 -11.603 1.00 24.12 N ATOM 388 CZ ARG A 24 -1.702 5.249 -12.043 1.00 21.33 C ATOM 389 NH1 ARG A 24 -1.738 6.298 -11.287 1.00 32.33 N ATOM 390 NH2 ARG A 24 -1.295 5.351 -13.262 1.00 15.41 N ATOM 0 H ARG A 24 -3.923 -0.241 -9.582 1.00 43.22 H new ATOM 0 HA ARG A 24 -2.069 1.725 -8.361 1.00 3.11 H new ATOM 0 HB2 ARG A 24 -5.082 1.917 -8.859 1.00 11.11 H new ATOM 0 HB3 ARG A 24 -4.098 3.163 -8.117 1.00 11.11 H new ATOM 0 HG2 ARG A 24 -3.700 2.149 -10.955 1.00 41.12 H new ATOM 0 HG3 ARG A 24 -4.652 3.561 -10.542 1.00 41.12 H new ATOM 0 HD2 ARG A 24 -2.728 4.747 -9.719 1.00 14.44 H new ATOM 0 HD3 ARG A 24 -1.746 3.296 -9.696 1.00 14.44 H new ATOM 0 HE ARG A 24 -2.093 3.311 -12.264 1.00 24.12 H new ATOM 0 HH11 ARG A 24 -2.078 6.224 -10.328 1.00 32.33 H new ATOM 0 HH12 ARG A 24 -1.426 7.199 -11.650 1.00 32.33 H new ATOM 0 HH21 ARG A 24 -1.284 4.529 -13.866 1.00 15.41 H new ATOM 0 HH22 ARG A 24 -0.984 6.253 -13.622 1.00 15.41 H new ATOM 404 N ILE A 25 -3.115 1.580 -5.994 1.00 64.34 N ATOM 405 CA ILE A 25 -3.460 1.263 -4.602 1.00 62.15 C ATOM 406 C ILE A 25 -3.530 2.536 -3.742 1.00 5.30 C ATOM 407 O ILE A 25 -2.656 3.399 -3.818 1.00 41.12 O ATOM 408 CB ILE A 25 -2.433 0.282 -3.970 1.00 63.43 C ATOM 409 CG1 ILE A 25 -2.818 -0.059 -2.516 1.00 21.13 C ATOM 410 CG2 ILE A 25 -1.020 0.865 -4.035 1.00 71.42 C ATOM 411 CD1 ILE A 25 -1.893 -1.058 -1.849 1.00 73.33 C ATOM 0 H ILE A 25 -2.605 2.456 -6.105 1.00 64.34 H new ATOM 0 HA ILE A 25 -4.440 0.787 -4.623 1.00 62.15 H new ATOM 0 HB ILE A 25 -2.449 -0.643 -4.547 1.00 63.43 H new ATOM 0 HG12 ILE A 25 -2.827 0.859 -1.929 1.00 21.13 H new ATOM 0 HG13 ILE A 25 -3.833 -0.456 -2.504 1.00 21.13 H new ATOM 0 HG21 ILE A 25 -0.316 0.163 -3.588 1.00 71.42 H new ATOM 0 HG22 ILE A 25 -0.746 1.040 -5.075 1.00 71.42 H new ATOM 0 HG23 ILE A 25 -0.990 1.808 -3.488 1.00 71.42 H new ATOM 0 HD11 ILE A 25 -2.232 -1.244 -0.830 1.00 73.33 H new ATOM 0 HD12 ILE A 25 -1.901 -1.992 -2.410 1.00 73.33 H new ATOM 0 HD13 ILE A 25 -0.880 -0.657 -1.827 1.00 73.33 H new ATOM 423 N ASN A 26 -4.577 2.659 -2.936 1.00 3.31 N ATOM 424 CA ASN A 26 -4.684 3.768 -1.988 1.00 1.22 C ATOM 425 C ASN A 26 -3.778 3.516 -0.772 1.00 25.15 C ATOM 426 O ASN A 26 -4.106 2.719 0.112 1.00 63.44 O ATOM 427 CB ASN A 26 -6.138 3.948 -1.545 1.00 33.34 C ATOM 428 CG ASN A 26 -7.051 4.327 -2.696 1.00 43.52 C ATOM 429 OD1 ASN A 26 -6.780 4.020 -3.851 1.00 65.51 O ATOM 430 ND2 ASN A 26 -8.152 4.986 -2.393 1.00 70.13 N ATOM 0 H ASN A 26 -5.363 2.009 -2.917 1.00 3.31 H new ATOM 0 HA ASN A 26 -4.357 4.684 -2.480 1.00 1.22 H new ATOM 0 HB2 ASN A 26 -6.494 3.023 -1.092 1.00 33.34 H new ATOM 0 HB3 ASN A 26 -6.188 4.719 -0.776 1.00 33.34 H new ATOM 0 HD21 ASN A 26 -8.805 5.254 -3.129 1.00 70.13 H new ATOM 0 HD22 ASN A 26 -8.351 5.228 -1.422 1.00 70.13 H new ATOM 437 N VAL A 27 -2.637 4.194 -0.742 1.00 70.31 N ATOM 438 CA VAL A 27 -1.637 3.997 0.311 1.00 15.42 C ATOM 439 C VAL A 27 -1.813 5.003 1.455 1.00 35.12 C ATOM 440 O VAL A 27 -1.718 6.213 1.255 1.00 3.10 O ATOM 441 CB VAL A 27 -0.201 4.118 -0.257 1.00 24.30 C ATOM 442 CG1 VAL A 27 0.841 3.867 0.830 1.00 5.42 C ATOM 443 CG2 VAL A 27 0.000 3.163 -1.432 1.00 53.12 C ATOM 0 H VAL A 27 -2.376 4.891 -1.439 1.00 70.31 H new ATOM 0 HA VAL A 27 -1.787 2.991 0.704 1.00 15.42 H new ATOM 0 HB VAL A 27 -0.068 5.137 -0.620 1.00 24.30 H new ATOM 0 HG11 VAL A 27 1.840 3.958 0.404 1.00 5.42 H new ATOM 0 HG12 VAL A 27 0.718 4.600 1.628 1.00 5.42 H new ATOM 0 HG13 VAL A 27 0.709 2.864 1.235 1.00 5.42 H new ATOM 0 HG21 VAL A 27 1.015 3.266 -1.815 1.00 53.12 H new ATOM 0 HG22 VAL A 27 -0.161 2.138 -1.099 1.00 53.12 H new ATOM 0 HG23 VAL A 27 -0.711 3.403 -2.222 1.00 53.12 H new ATOM 453 N VAL A 28 -2.068 4.494 2.654 1.00 24.12 N ATOM 454 CA VAL A 28 -2.201 5.334 3.842 1.00 15.20 C ATOM 455 C VAL A 28 -0.869 5.410 4.606 1.00 54.40 C ATOM 456 O VAL A 28 -0.372 4.402 5.110 1.00 21.24 O ATOM 457 CB VAL A 28 -3.296 4.791 4.793 1.00 41.52 C ATOM 458 CG1 VAL A 28 -3.502 5.734 5.980 1.00 74.30 C ATOM 459 CG2 VAL A 28 -4.606 4.570 4.039 1.00 11.34 C ATOM 0 H VAL A 28 -2.188 3.497 2.832 1.00 24.12 H new ATOM 0 HA VAL A 28 -2.486 6.330 3.503 1.00 15.20 H new ATOM 0 HB VAL A 28 -2.962 3.829 5.181 1.00 41.52 H new ATOM 0 HG11 VAL A 28 -4.276 5.332 6.634 1.00 74.30 H new ATOM 0 HG12 VAL A 28 -2.569 5.828 6.536 1.00 74.30 H new ATOM 0 HG13 VAL A 28 -3.808 6.715 5.617 1.00 74.30 H new ATOM 0 HG21 VAL A 28 -5.361 4.188 4.726 1.00 11.34 H new ATOM 0 HG22 VAL A 28 -4.946 5.515 3.615 1.00 11.34 H new ATOM 0 HG23 VAL A 28 -4.447 3.849 3.237 1.00 11.34 H new ATOM 469 N ASP A 29 -0.286 6.601 4.675 1.00 2.12 N ATOM 470 CA ASP A 29 0.961 6.798 5.413 1.00 41.23 C ATOM 471 C ASP A 29 0.680 6.992 6.914 1.00 31.32 C ATOM 472 O ASP A 29 -0.014 7.930 7.304 1.00 41.31 O ATOM 473 CB ASP A 29 1.725 7.999 4.855 1.00 50.42 C ATOM 474 CG ASP A 29 3.014 8.265 5.614 1.00 53.13 C ATOM 475 OD1 ASP A 29 3.908 7.397 5.601 1.00 43.43 O ATOM 476 OD2 ASP A 29 3.138 9.343 6.226 1.00 62.52 O ATOM 0 H ASP A 29 -0.653 7.443 4.232 1.00 2.12 H new ATOM 0 HA ASP A 29 1.576 5.906 5.292 1.00 41.23 H new ATOM 0 HB2 ASP A 29 1.954 7.825 3.804 1.00 50.42 H new ATOM 0 HB3 ASP A 29 1.090 8.884 4.900 1.00 50.42 H new ATOM 481 N PRO A 30 1.220 6.111 7.777 1.00 32.52 N ATOM 482 CA PRO A 30 0.963 6.158 9.227 1.00 61.23 C ATOM 483 C PRO A 30 1.653 7.341 9.933 1.00 31.03 C ATOM 484 O PRO A 30 1.290 7.703 11.054 1.00 62.55 O ATOM 485 CB PRO A 30 1.540 4.822 9.717 1.00 41.34 C ATOM 486 CG PRO A 30 2.625 4.512 8.742 1.00 42.40 C ATOM 487 CD PRO A 30 2.117 4.999 7.413 1.00 50.31 C ATOM 0 HA PRO A 30 -0.095 6.300 9.446 1.00 61.23 H new ATOM 0 HB2 PRO A 30 1.928 4.904 10.732 1.00 41.34 H new ATOM 0 HB3 PRO A 30 0.780 4.041 9.729 1.00 41.34 H new ATOM 0 HG2 PRO A 30 3.554 5.013 9.015 1.00 42.40 H new ATOM 0 HG3 PRO A 30 2.835 3.443 8.715 1.00 42.40 H new ATOM 0 HD2 PRO A 30 2.931 5.333 6.770 1.00 50.31 H new ATOM 0 HD3 PRO A 30 1.586 4.214 6.874 1.00 50.31 H new ATOM 495 N GLU A 31 2.642 7.945 9.272 1.00 11.25 N ATOM 496 CA GLU A 31 3.396 9.059 9.859 1.00 43.04 C ATOM 497 C GLU A 31 2.657 10.397 9.702 1.00 0.23 C ATOM 498 O GLU A 31 2.576 11.185 10.645 1.00 3.22 O ATOM 499 CB GLU A 31 4.786 9.145 9.214 1.00 42.22 C ATOM 500 CG GLU A 31 5.654 7.911 9.450 1.00 54.35 C ATOM 501 CD GLU A 31 5.979 7.694 10.920 1.00 60.45 C ATOM 502 OE1 GLU A 31 7.006 8.231 11.391 1.00 4.03 O ATOM 503 OE2 GLU A 31 5.214 6.986 11.612 1.00 55.44 O ATOM 0 H GLU A 31 2.941 7.684 8.332 1.00 11.25 H new ATOM 0 HA GLU A 31 3.499 8.865 10.927 1.00 43.04 H new ATOM 0 HB2 GLU A 31 4.669 9.295 8.141 1.00 42.22 H new ATOM 0 HB3 GLU A 31 5.303 10.021 9.604 1.00 42.22 H new ATOM 0 HG2 GLU A 31 5.141 7.031 9.062 1.00 54.35 H new ATOM 0 HG3 GLU A 31 6.582 8.012 8.888 1.00 54.35 H new ATOM 510 N THR A 32 2.117 10.647 8.511 1.00 15.40 N ATOM 511 CA THR A 32 1.377 11.888 8.235 1.00 53.31 C ATOM 512 C THR A 32 -0.138 11.672 8.305 1.00 10.12 C ATOM 513 O THR A 32 -0.897 12.592 8.616 1.00 73.33 O ATOM 514 CB THR A 32 1.720 12.458 6.840 1.00 51.24 C ATOM 515 OG1 THR A 32 1.376 11.503 5.824 1.00 11.22 O ATOM 516 CG2 THR A 32 3.202 12.803 6.734 1.00 42.42 C ATOM 0 H THR A 32 2.175 10.009 7.717 1.00 15.40 H new ATOM 0 HA THR A 32 1.681 12.597 9.005 1.00 53.31 H new ATOM 0 HB THR A 32 1.143 13.372 6.698 1.00 51.24 H new ATOM 0 HG1 THR A 32 1.977 10.731 5.883 1.00 11.22 H new ATOM 0 HG21 THR A 32 3.413 13.202 5.742 1.00 42.42 H new ATOM 0 HG22 THR A 32 3.457 13.549 7.486 1.00 42.42 H new ATOM 0 HG23 THR A 32 3.797 11.905 6.898 1.00 42.42 H new ATOM 524 N GLY A 33 -0.574 10.449 8.013 1.00 62.22 N ATOM 525 CA GLY A 33 -2.001 10.138 7.991 1.00 4.41 C ATOM 526 C GLY A 33 -2.659 10.453 6.650 1.00 1.33 C ATOM 527 O GLY A 33 -3.873 10.651 6.584 1.00 15.32 O ATOM 0 H GLY A 33 0.035 9.662 7.790 1.00 62.22 H new ATOM 0 HA2 GLY A 33 -2.141 9.081 8.219 1.00 4.41 H new ATOM 0 HA3 GLY A 33 -2.503 10.702 8.777 1.00 4.41 H new ATOM 531 N LYS A 34 -1.860 10.507 5.583 1.00 53.43 N ATOM 532 CA LYS A 34 -2.372 10.808 4.238 1.00 73.25 C ATOM 533 C LYS A 34 -2.846 9.539 3.509 1.00 32.23 C ATOM 534 O LYS A 34 -2.272 8.462 3.683 1.00 21.45 O ATOM 535 CB LYS A 34 -1.277 11.483 3.396 1.00 42.23 C ATOM 536 CG LYS A 34 -0.063 10.585 3.141 1.00 5.23 C ATOM 537 CD LYS A 34 0.935 11.204 2.167 1.00 51.35 C ATOM 538 CE LYS A 34 2.134 10.285 1.936 1.00 63.14 C ATOM 539 NZ LYS A 34 3.101 10.855 0.962 1.00 73.22 N ATOM 0 H LYS A 34 -0.853 10.346 5.621 1.00 53.43 H new ATOM 0 HA LYS A 34 -3.224 11.477 4.359 1.00 73.25 H new ATOM 0 HB2 LYS A 34 -1.701 11.788 2.439 1.00 42.23 H new ATOM 0 HB3 LYS A 34 -0.948 12.391 3.902 1.00 42.23 H new ATOM 0 HG2 LYS A 34 0.438 10.382 4.087 1.00 5.23 H new ATOM 0 HG3 LYS A 34 -0.402 9.627 2.747 1.00 5.23 H new ATOM 0 HD2 LYS A 34 0.441 11.405 1.217 1.00 51.35 H new ATOM 0 HD3 LYS A 34 1.279 12.162 2.556 1.00 51.35 H new ATOM 0 HE2 LYS A 34 2.640 10.106 2.885 1.00 63.14 H new ATOM 0 HE3 LYS A 34 1.784 9.318 1.574 1.00 63.14 H new ATOM 0 HZ1 LYS A 34 4.069 10.607 1.249 1.00 73.22 H new ATOM 0 HZ2 LYS A 34 2.910 10.467 0.016 1.00 73.22 H new ATOM 0 HZ3 LYS A 34 3.001 11.890 0.939 1.00 73.22 H new ATOM 553 N VAL A 35 -3.889 9.670 2.694 1.00 74.43 N ATOM 554 CA VAL A 35 -4.312 8.588 1.797 1.00 4.43 C ATOM 555 C VAL A 35 -3.905 8.922 0.352 1.00 15.35 C ATOM 556 O VAL A 35 -4.617 9.632 -0.359 1.00 54.15 O ATOM 557 CB VAL A 35 -5.844 8.341 1.864 1.00 54.31 C ATOM 558 CG1 VAL A 35 -6.250 7.166 0.968 1.00 22.11 C ATOM 559 CG2 VAL A 35 -6.290 8.109 3.311 1.00 4.31 C ATOM 0 H VAL A 35 -4.460 10.513 2.633 1.00 74.43 H new ATOM 0 HA VAL A 35 -3.814 7.675 2.124 1.00 4.43 H new ATOM 0 HB VAL A 35 -6.349 9.232 1.492 1.00 54.31 H new ATOM 0 HG11 VAL A 35 -7.327 7.014 1.033 1.00 22.11 H new ATOM 0 HG12 VAL A 35 -5.976 7.384 -0.064 1.00 22.11 H new ATOM 0 HG13 VAL A 35 -5.736 6.263 1.297 1.00 22.11 H new ATOM 0 HG21 VAL A 35 -7.366 7.938 3.337 1.00 4.31 H new ATOM 0 HG22 VAL A 35 -5.774 7.238 3.716 1.00 4.31 H new ATOM 0 HG23 VAL A 35 -6.047 8.986 3.912 1.00 4.31 H new ATOM 569 N GLU A 36 -2.740 8.431 -0.060 1.00 43.03 N ATOM 570 CA GLU A 36 -2.169 8.755 -1.372 1.00 44.04 C ATOM 571 C GLU A 36 -2.176 7.532 -2.304 1.00 62.21 C ATOM 572 O GLU A 36 -1.642 6.477 -1.967 1.00 35.11 O ATOM 573 CB GLU A 36 -0.740 9.292 -1.182 1.00 21.32 C ATOM 574 CG GLU A 36 -0.006 9.619 -2.477 1.00 55.10 C ATOM 575 CD GLU A 36 1.279 10.402 -2.236 1.00 42.25 C ATOM 576 OE1 GLU A 36 2.138 9.930 -1.465 1.00 42.42 O ATOM 577 OE2 GLU A 36 1.422 11.510 -2.794 1.00 13.32 O ATOM 0 H GLU A 36 -2.165 7.801 0.499 1.00 43.03 H new ATOM 0 HA GLU A 36 -2.784 9.521 -1.845 1.00 44.04 H new ATOM 0 HB2 GLU A 36 -0.783 10.191 -0.567 1.00 21.32 H new ATOM 0 HB3 GLU A 36 -0.160 8.554 -0.628 1.00 21.32 H new ATOM 0 HG2 GLU A 36 0.229 8.693 -3.002 1.00 55.10 H new ATOM 0 HG3 GLU A 36 -0.663 10.196 -3.128 1.00 55.10 H new ATOM 584 N ILE A 37 -2.788 7.682 -3.475 1.00 23.31 N ATOM 585 CA ILE A 37 -2.913 6.576 -4.433 1.00 12.33 C ATOM 586 C ILE A 37 -1.611 6.363 -5.227 1.00 43.45 C ATOM 587 O ILE A 37 -1.217 7.210 -6.030 1.00 24.52 O ATOM 588 CB ILE A 37 -4.083 6.824 -5.419 1.00 75.04 C ATOM 589 CG1 ILE A 37 -5.371 7.155 -4.643 1.00 61.01 C ATOM 590 CG2 ILE A 37 -4.292 5.601 -6.317 1.00 2.12 C ATOM 591 CD1 ILE A 37 -6.543 7.525 -5.528 1.00 54.43 C ATOM 0 H ILE A 37 -3.207 8.558 -3.788 1.00 23.31 H new ATOM 0 HA ILE A 37 -3.117 5.676 -3.853 1.00 12.33 H new ATOM 0 HB ILE A 37 -3.833 7.675 -6.053 1.00 75.04 H new ATOM 0 HG12 ILE A 37 -5.647 6.295 -4.032 1.00 61.01 H new ATOM 0 HG13 ILE A 37 -5.170 7.980 -3.960 1.00 61.01 H new ATOM 0 HG21 ILE A 37 -5.117 5.791 -7.004 1.00 2.12 H new ATOM 0 HG22 ILE A 37 -3.383 5.408 -6.886 1.00 2.12 H new ATOM 0 HG23 ILE A 37 -4.525 4.733 -5.701 1.00 2.12 H new ATOM 0 HD11 ILE A 37 -7.412 7.744 -4.908 1.00 54.43 H new ATOM 0 HD12 ILE A 37 -6.289 8.404 -6.120 1.00 54.43 H new ATOM 0 HD13 ILE A 37 -6.773 6.693 -6.194 1.00 54.43 H new ATOM 603 N ALA A 38 -0.957 5.226 -5.000 1.00 2.44 N ATOM 604 CA ALA A 38 0.307 4.890 -5.672 1.00 52.13 C ATOM 605 C ALA A 38 0.154 3.683 -6.612 1.00 45.03 C ATOM 606 O ALA A 38 -0.880 3.017 -6.622 1.00 71.31 O ATOM 607 CB ALA A 38 1.381 4.606 -4.630 1.00 25.41 C ATOM 0 H ALA A 38 -1.282 4.511 -4.349 1.00 2.44 H new ATOM 0 HA ALA A 38 0.599 5.745 -6.282 1.00 52.13 H new ATOM 0 HB1 ALA A 38 2.317 4.357 -5.130 1.00 25.41 H new ATOM 0 HB2 ALA A 38 1.526 5.489 -4.007 1.00 25.41 H new ATOM 0 HB3 ALA A 38 1.070 3.769 -4.006 1.00 25.41 H new ATOM 613 N GLU A 39 1.190 3.413 -7.407 1.00 63.32 N ATOM 614 CA GLU A 39 1.195 2.255 -8.308 1.00 42.45 C ATOM 615 C GLU A 39 1.979 1.079 -7.692 1.00 1.13 C ATOM 616 O GLU A 39 3.057 1.272 -7.120 1.00 42.40 O ATOM 617 CB GLU A 39 1.810 2.618 -9.673 1.00 21.41 C ATOM 618 CG GLU A 39 1.141 3.790 -10.390 1.00 22.34 C ATOM 619 CD GLU A 39 1.513 5.145 -9.807 1.00 1.40 C ATOM 620 OE1 GLU A 39 2.686 5.550 -9.949 1.00 71.54 O ATOM 621 OE2 GLU A 39 0.644 5.814 -9.205 1.00 24.13 O ATOM 0 H GLU A 39 2.037 3.979 -7.447 1.00 63.32 H new ATOM 0 HA GLU A 39 0.158 1.954 -8.454 1.00 42.45 H new ATOM 0 HB2 GLU A 39 2.864 2.854 -9.529 1.00 21.41 H new ATOM 0 HB3 GLU A 39 1.765 1.742 -10.320 1.00 21.41 H new ATOM 0 HG2 GLU A 39 1.418 3.768 -11.444 1.00 22.34 H new ATOM 0 HG3 GLU A 39 0.059 3.666 -10.342 1.00 22.34 H new ATOM 628 N ILE A 40 1.436 -0.135 -7.815 1.00 22.23 N ATOM 629 CA ILE A 40 2.098 -1.343 -7.288 1.00 11.05 C ATOM 630 C ILE A 40 3.010 -1.987 -8.341 1.00 61.51 C ATOM 631 O ILE A 40 2.539 -2.473 -9.368 1.00 11.35 O ATOM 632 CB ILE A 40 1.073 -2.408 -6.816 1.00 43.24 C ATOM 633 CG1 ILE A 40 0.136 -1.826 -5.749 1.00 13.02 C ATOM 634 CG2 ILE A 40 1.787 -3.652 -6.282 1.00 41.31 C ATOM 635 CD1 ILE A 40 -0.926 -2.797 -5.269 1.00 74.23 C ATOM 0 H ILE A 40 0.542 -0.313 -8.273 1.00 22.23 H new ATOM 0 HA ILE A 40 2.692 -1.012 -6.436 1.00 11.05 H new ATOM 0 HB ILE A 40 0.472 -2.702 -7.677 1.00 43.24 H new ATOM 0 HG12 ILE A 40 0.731 -1.502 -4.895 1.00 13.02 H new ATOM 0 HG13 ILE A 40 -0.352 -0.939 -6.153 1.00 13.02 H new ATOM 0 HG21 ILE A 40 1.048 -4.384 -5.957 1.00 41.31 H new ATOM 0 HG22 ILE A 40 2.404 -4.084 -7.070 1.00 41.31 H new ATOM 0 HG23 ILE A 40 2.419 -3.375 -5.438 1.00 41.31 H new ATOM 0 HD11 ILE A 40 -1.548 -2.313 -4.517 1.00 74.23 H new ATOM 0 HD12 ILE A 40 -1.547 -3.103 -6.111 1.00 74.23 H new ATOM 0 HD13 ILE A 40 -0.447 -3.674 -4.834 1.00 74.23 H new ATOM 647 N ARG A 41 4.314 -1.987 -8.080 1.00 54.00 N ATOM 648 CA ARG A 41 5.282 -2.607 -8.990 1.00 54.20 C ATOM 649 C ARG A 41 5.409 -4.124 -8.761 1.00 52.53 C ATOM 650 O ARG A 41 5.422 -4.905 -9.711 1.00 54.30 O ATOM 651 CB ARG A 41 6.648 -1.921 -8.856 1.00 62.33 C ATOM 652 CG ARG A 41 6.651 -0.496 -9.400 1.00 63.33 C ATOM 653 CD ARG A 41 8.011 0.177 -9.248 1.00 24.05 C ATOM 654 NE ARG A 41 8.099 1.395 -10.048 1.00 54.12 N ATOM 655 CZ ARG A 41 8.796 2.447 -9.728 1.00 3.00 C ATOM 656 NH1 ARG A 41 9.464 2.500 -8.618 1.00 22.25 N ATOM 657 NH2 ARG A 41 8.827 3.457 -10.529 1.00 53.42 N ATOM 0 H ARG A 41 4.728 -1.566 -7.248 1.00 54.00 H new ATOM 0 HA ARG A 41 4.911 -2.470 -10.006 1.00 54.20 H new ATOM 0 HB2 ARG A 41 6.939 -1.904 -7.806 1.00 62.33 H new ATOM 0 HB3 ARG A 41 7.398 -2.509 -9.386 1.00 62.33 H new ATOM 0 HG2 ARG A 41 6.371 -0.511 -10.453 1.00 63.33 H new ATOM 0 HG3 ARG A 41 5.896 0.092 -8.877 1.00 63.33 H new ATOM 0 HD2 ARG A 41 8.184 0.417 -8.199 1.00 24.05 H new ATOM 0 HD3 ARG A 41 8.796 -0.516 -9.551 1.00 24.05 H new ATOM 0 HE ARG A 41 7.575 1.424 -10.923 1.00 54.12 H new ATOM 0 HH11 ARG A 41 9.450 1.708 -7.976 1.00 22.25 H new ATOM 0 HH12 ARG A 41 10.004 3.334 -8.387 1.00 22.25 H new ATOM 0 HH21 ARG A 41 8.308 3.428 -11.406 1.00 53.42 H new ATOM 0 HH22 ARG A 41 9.371 4.285 -10.285 1.00 53.42 H new ATOM 671 N ASN A 42 5.509 -4.536 -7.499 1.00 24.42 N ATOM 672 CA ASN A 42 5.632 -5.961 -7.161 1.00 4.14 C ATOM 673 C ASN A 42 4.526 -6.415 -6.199 1.00 14.03 C ATOM 674 O ASN A 42 4.450 -5.950 -5.062 1.00 13.33 O ATOM 675 CB ASN A 42 7.007 -6.258 -6.542 1.00 50.54 C ATOM 676 CG ASN A 42 8.140 -6.137 -7.543 1.00 52.20 C ATOM 677 OD1 ASN A 42 8.506 -7.107 -8.202 1.00 43.31 O ATOM 678 ND2 ASN A 42 8.708 -4.956 -7.663 1.00 5.14 N ATOM 0 H ASN A 42 5.508 -3.910 -6.694 1.00 24.42 H new ATOM 0 HA ASN A 42 5.527 -6.520 -8.091 1.00 4.14 H new ATOM 0 HB2 ASN A 42 7.184 -5.571 -5.715 1.00 50.54 H new ATOM 0 HB3 ASN A 42 7.003 -7.265 -6.125 1.00 50.54 H new ATOM 0 HD21 ASN A 42 9.478 -4.825 -8.319 1.00 5.14 H new ATOM 0 HD22 ASN A 42 8.379 -4.172 -7.100 1.00 5.14 H new ATOM 685 N VAL A 43 3.666 -7.319 -6.673 1.00 65.21 N ATOM 686 CA VAL A 43 2.636 -7.938 -5.823 1.00 25.23 C ATOM 687 C VAL A 43 3.272 -8.910 -4.813 1.00 62.23 C ATOM 688 O VAL A 43 2.765 -9.103 -3.709 1.00 31.15 O ATOM 689 CB VAL A 43 1.580 -8.688 -6.682 1.00 2.54 C ATOM 690 CG1 VAL A 43 0.583 -9.442 -5.803 1.00 72.14 C ATOM 691 CG2 VAL A 43 0.859 -7.713 -7.616 1.00 73.42 C ATOM 0 H VAL A 43 3.659 -7.641 -7.641 1.00 65.21 H new ATOM 0 HA VAL A 43 2.136 -7.138 -5.276 1.00 25.23 H new ATOM 0 HB VAL A 43 2.103 -9.425 -7.291 1.00 2.54 H new ATOM 0 HG11 VAL A 43 -0.142 -9.956 -6.434 1.00 72.14 H new ATOM 0 HG12 VAL A 43 1.115 -10.172 -5.193 1.00 72.14 H new ATOM 0 HG13 VAL A 43 0.064 -8.737 -5.154 1.00 72.14 H new ATOM 0 HG21 VAL A 43 0.123 -8.255 -8.210 1.00 73.42 H new ATOM 0 HG22 VAL A 43 0.356 -6.948 -7.025 1.00 73.42 H new ATOM 0 HG23 VAL A 43 1.584 -7.241 -8.279 1.00 73.42 H new ATOM 701 N VAL A 44 4.393 -9.512 -5.202 1.00 14.55 N ATOM 702 CA VAL A 44 5.140 -10.403 -4.310 1.00 64.54 C ATOM 703 C VAL A 44 5.742 -9.622 -3.126 1.00 44.42 C ATOM 704 O VAL A 44 6.247 -8.511 -3.299 1.00 63.22 O ATOM 705 CB VAL A 44 6.272 -11.146 -5.072 1.00 53.43 C ATOM 706 CG1 VAL A 44 7.280 -10.158 -5.664 1.00 45.50 C ATOM 707 CG2 VAL A 44 6.971 -12.161 -4.163 1.00 43.40 C ATOM 0 H VAL A 44 4.806 -9.401 -6.128 1.00 14.55 H new ATOM 0 HA VAL A 44 4.434 -11.140 -3.927 1.00 64.54 H new ATOM 0 HB VAL A 44 5.815 -11.692 -5.897 1.00 53.43 H new ATOM 0 HG11 VAL A 44 8.060 -10.707 -6.191 1.00 45.50 H new ATOM 0 HG12 VAL A 44 6.771 -9.492 -6.361 1.00 45.50 H new ATOM 0 HG13 VAL A 44 7.728 -9.571 -4.862 1.00 45.50 H new ATOM 0 HG21 VAL A 44 7.759 -12.667 -4.721 1.00 43.40 H new ATOM 0 HG22 VAL A 44 7.407 -11.644 -3.308 1.00 43.40 H new ATOM 0 HG23 VAL A 44 6.246 -12.895 -3.812 1.00 43.40 H new ATOM 717 N GLU A 45 5.713 -10.214 -1.932 1.00 50.34 N ATOM 718 CA GLU A 45 6.224 -9.554 -0.716 1.00 52.24 C ATOM 719 C GLU A 45 7.765 -9.545 -0.660 1.00 2.14 C ATOM 720 O GLU A 45 8.354 -9.575 0.423 1.00 3.33 O ATOM 721 CB GLU A 45 5.665 -10.260 0.530 1.00 4.35 C ATOM 722 CG GLU A 45 4.140 -10.233 0.628 1.00 50.21 C ATOM 723 CD GLU A 45 3.621 -10.856 1.916 1.00 11.33 C ATOM 724 OE1 GLU A 45 3.542 -10.141 2.936 1.00 51.43 O ATOM 725 OE2 GLU A 45 3.298 -12.061 1.917 1.00 30.33 O ATOM 0 H GLU A 45 5.342 -11.151 -1.774 1.00 50.34 H new ATOM 0 HA GLU A 45 5.891 -8.516 -0.742 1.00 52.24 H new ATOM 0 HB2 GLU A 45 6.000 -11.297 0.529 1.00 4.35 H new ATOM 0 HB3 GLU A 45 6.084 -9.791 1.420 1.00 4.35 H new ATOM 0 HG2 GLU A 45 3.795 -9.201 0.564 1.00 50.21 H new ATOM 0 HG3 GLU A 45 3.716 -10.765 -0.224 1.00 50.21 H new ATOM 732 N ASN A 46 8.409 -9.473 -1.829 1.00 13.02 N ATOM 733 CA ASN A 46 9.876 -9.487 -1.931 1.00 44.32 C ATOM 734 C ASN A 46 10.488 -10.734 -1.269 1.00 21.44 C ATOM 735 O ASN A 46 11.630 -10.713 -0.797 1.00 30.22 O ATOM 736 CB ASN A 46 10.467 -8.206 -1.333 1.00 51.32 C ATOM 737 CG ASN A 46 10.040 -6.968 -2.100 1.00 60.40 C ATOM 738 OD1 ASN A 46 10.692 -6.564 -3.060 1.00 63.43 O ATOM 739 ND2 ASN A 46 8.946 -6.356 -1.693 1.00 32.25 N ATOM 0 H ASN A 46 7.933 -9.404 -2.729 1.00 13.02 H new ATOM 0 HA ASN A 46 10.131 -9.529 -2.990 1.00 44.32 H new ATOM 0 HB2 ASN A 46 10.154 -8.114 -0.293 1.00 51.32 H new ATOM 0 HB3 ASN A 46 11.555 -8.275 -1.333 1.00 51.32 H new ATOM 0 HD21 ASN A 46 8.618 -5.521 -2.179 1.00 32.25 H new ATOM 0 HD22 ASN A 46 8.427 -6.717 -0.892 1.00 32.25 H new ATOM 746 N THR A 47 9.730 -11.827 -1.264 1.00 35.25 N ATOM 747 CA THR A 47 10.200 -13.106 -0.716 1.00 14.34 C ATOM 748 C THR A 47 10.023 -14.242 -1.732 1.00 60.43 C ATOM 749 O THR A 47 9.547 -14.024 -2.850 1.00 11.41 O ATOM 750 CB THR A 47 9.464 -13.478 0.597 1.00 12.13 C ATOM 751 OG1 THR A 47 10.005 -14.695 1.144 1.00 13.52 O ATOM 752 CG2 THR A 47 7.964 -13.642 0.362 1.00 31.13 C ATOM 0 H THR A 47 8.780 -11.857 -1.635 1.00 35.25 H new ATOM 0 HA THR A 47 11.260 -12.978 -0.496 1.00 14.34 H new ATOM 0 HB THR A 47 9.615 -12.664 1.306 1.00 12.13 H new ATOM 0 HG1 THR A 47 9.534 -14.919 1.974 1.00 13.52 H new ATOM 0 HG21 THR A 47 7.475 -13.903 1.301 1.00 31.13 H new ATOM 0 HG22 THR A 47 7.550 -12.707 -0.015 1.00 31.13 H new ATOM 0 HG23 THR A 47 7.794 -14.434 -0.368 1.00 31.13 H new ATOM 760 N ALA A 48 10.413 -15.452 -1.344 1.00 63.54 N ATOM 761 CA ALA A 48 10.287 -16.625 -2.210 1.00 43.43 C ATOM 762 C ALA A 48 8.817 -17.015 -2.432 1.00 30.30 C ATOM 763 O ALA A 48 7.903 -16.402 -1.882 1.00 12.40 O ATOM 764 CB ALA A 48 11.067 -17.794 -1.618 1.00 71.53 C ATOM 0 H ALA A 48 10.822 -15.649 -0.430 1.00 63.54 H new ATOM 0 HA ALA A 48 10.705 -16.370 -3.184 1.00 43.43 H new ATOM 0 HB1 ALA A 48 10.969 -18.663 -2.268 1.00 71.53 H new ATOM 0 HB2 ALA A 48 12.119 -17.523 -1.532 1.00 71.53 H new ATOM 0 HB3 ALA A 48 10.672 -18.032 -0.631 1.00 71.53 H new ATOM 770 N ASN A 49 8.595 -18.036 -3.251 1.00 22.11 N ATOM 771 CA ASN A 49 7.238 -18.505 -3.545 1.00 70.03 C ATOM 772 C ASN A 49 6.818 -19.632 -2.589 1.00 11.33 C ATOM 773 O ASN A 49 7.461 -20.682 -2.543 1.00 22.34 O ATOM 774 CB ASN A 49 7.148 -18.999 -4.992 1.00 35.13 C ATOM 775 CG ASN A 49 7.550 -17.932 -5.989 1.00 31.54 C ATOM 776 OD1 ASN A 49 8.713 -17.827 -6.369 1.00 1.22 O ATOM 777 ND2 ASN A 49 6.599 -17.127 -6.418 1.00 15.34 N ATOM 0 H ASN A 49 9.333 -18.557 -3.725 1.00 22.11 H new ATOM 0 HA ASN A 49 6.559 -17.664 -3.406 1.00 70.03 H new ATOM 0 HB2 ASN A 49 7.791 -19.871 -5.117 1.00 35.13 H new ATOM 0 HB3 ASN A 49 6.128 -19.322 -5.201 1.00 35.13 H new ATOM 0 HD21 ASN A 49 6.819 -16.389 -7.086 1.00 15.34 H new ATOM 0 HD22 ASN A 49 5.643 -17.242 -6.082 1.00 15.34 H new ATOM 784 N PRO A 50 5.740 -19.430 -1.802 1.00 63.12 N ATOM 785 CA PRO A 50 5.175 -20.491 -0.949 1.00 65.22 C ATOM 786 C PRO A 50 4.681 -21.691 -1.779 1.00 41.32 C ATOM 787 O PRO A 50 4.641 -22.825 -1.297 1.00 65.40 O ATOM 788 CB PRO A 50 4.005 -19.797 -0.228 1.00 24.31 C ATOM 789 CG PRO A 50 3.695 -18.591 -1.056 1.00 44.13 C ATOM 790 CD PRO A 50 5.004 -18.159 -1.658 1.00 61.31 C ATOM 0 HA PRO A 50 5.913 -20.905 -0.262 1.00 65.22 H new ATOM 0 HB2 PRO A 50 3.141 -20.457 -0.154 1.00 24.31 H new ATOM 0 HB3 PRO A 50 4.280 -19.517 0.789 1.00 24.31 H new ATOM 0 HG2 PRO A 50 2.967 -18.826 -1.832 1.00 44.13 H new ATOM 0 HG3 PRO A 50 3.265 -17.797 -0.445 1.00 44.13 H new ATOM 0 HD2 PRO A 50 4.862 -17.664 -2.619 1.00 61.31 H new ATOM 0 HD3 PRO A 50 5.533 -17.457 -1.013 1.00 61.31 H new ATOM 798 N HIS A 51 4.283 -21.415 -3.025 1.00 42.24 N ATOM 799 CA HIS A 51 3.956 -22.458 -4.005 1.00 63.31 C ATOM 800 C HIS A 51 4.401 -22.036 -5.416 1.00 12.02 C ATOM 801 O HIS A 51 4.260 -20.873 -5.806 1.00 34.05 O ATOM 802 CB HIS A 51 2.453 -22.779 -3.991 1.00 62.52 C ATOM 803 CG HIS A 51 2.004 -23.469 -2.739 1.00 20.24 C ATOM 804 ND1 HIS A 51 2.407 -24.743 -2.405 1.00 32.13 N ATOM 805 CD2 HIS A 51 1.200 -23.057 -1.731 1.00 32.21 C ATOM 806 CE1 HIS A 51 1.874 -25.085 -1.253 1.00 33.14 C ATOM 807 NE2 HIS A 51 1.137 -24.082 -0.820 1.00 14.23 N ATOM 0 H HIS A 51 4.178 -20.466 -3.383 1.00 42.24 H new ATOM 0 HA HIS A 51 4.498 -23.361 -3.725 1.00 63.31 H new ATOM 0 HB2 HIS A 51 1.890 -21.853 -4.109 1.00 62.52 H new ATOM 0 HB3 HIS A 51 2.215 -23.408 -4.849 1.00 62.52 H new ATOM 0 HD2 HIS A 51 0.702 -22.102 -1.657 1.00 32.21 H new ATOM 0 HE1 HIS A 51 2.016 -26.028 -0.747 1.00 33.14 H new ATOM 0 HE2 HIS A 51 0.606 -24.069 0.051 1.00 14.23 H new ATOM 816 N PHE A 52 4.924 -22.991 -6.180 1.00 34.32 N ATOM 817 CA PHE A 52 5.486 -22.714 -7.513 1.00 44.21 C ATOM 818 C PHE A 52 4.411 -22.323 -8.551 1.00 4.21 C ATOM 819 O PHE A 52 4.723 -22.089 -9.719 1.00 11.40 O ATOM 820 CB PHE A 52 6.284 -23.932 -8.012 1.00 71.10 C ATOM 821 CG PHE A 52 5.455 -25.180 -8.215 1.00 74.31 C ATOM 822 CD1 PHE A 52 5.050 -25.953 -7.134 1.00 64.24 C ATOM 823 CD2 PHE A 52 5.085 -25.582 -9.490 1.00 50.13 C ATOM 824 CE1 PHE A 52 4.292 -27.094 -7.325 1.00 15.41 C ATOM 825 CE2 PHE A 52 4.328 -26.721 -9.684 1.00 22.43 C ATOM 826 CZ PHE A 52 3.932 -27.479 -8.602 1.00 45.21 C ATOM 0 H PHE A 52 4.974 -23.971 -5.903 1.00 34.32 H new ATOM 0 HA PHE A 52 6.148 -21.855 -7.405 1.00 44.21 H new ATOM 0 HB2 PHE A 52 6.767 -23.674 -8.955 1.00 71.10 H new ATOM 0 HB3 PHE A 52 7.077 -24.149 -7.297 1.00 71.10 H new ATOM 0 HD1 PHE A 52 5.330 -25.660 -6.133 1.00 64.24 H new ATOM 0 HD2 PHE A 52 5.393 -24.996 -10.343 1.00 50.13 H new ATOM 0 HE1 PHE A 52 3.981 -27.684 -6.476 1.00 15.41 H new ATOM 0 HE2 PHE A 52 4.046 -27.018 -10.683 1.00 22.43 H new ATOM 0 HZ PHE A 52 3.342 -28.371 -8.753 1.00 45.21 H new ATOM 836 N VAL A 53 3.152 -22.247 -8.119 1.00 31.44 N ATOM 837 CA VAL A 53 2.047 -21.835 -8.994 1.00 74.15 C ATOM 838 C VAL A 53 2.213 -20.381 -9.482 1.00 32.42 C ATOM 839 O VAL A 53 1.620 -19.979 -10.485 1.00 41.35 O ATOM 840 CB VAL A 53 0.686 -21.995 -8.262 1.00 4.40 C ATOM 841 CG1 VAL A 53 0.615 -21.096 -7.026 1.00 40.04 C ATOM 842 CG2 VAL A 53 -0.487 -21.724 -9.206 1.00 32.21 C ATOM 0 H VAL A 53 2.868 -22.466 -7.164 1.00 31.44 H new ATOM 0 HA VAL A 53 2.066 -22.486 -9.868 1.00 74.15 H new ATOM 0 HB VAL A 53 0.611 -23.030 -7.928 1.00 4.40 H new ATOM 0 HG11 VAL A 53 -0.349 -21.229 -6.534 1.00 40.04 H new ATOM 0 HG12 VAL A 53 1.415 -21.363 -6.335 1.00 40.04 H new ATOM 0 HG13 VAL A 53 0.728 -20.054 -7.327 1.00 40.04 H new ATOM 0 HG21 VAL A 53 -1.425 -21.844 -8.664 1.00 32.21 H new ATOM 0 HG22 VAL A 53 -0.417 -20.706 -9.590 1.00 32.21 H new ATOM 0 HG23 VAL A 53 -0.455 -22.428 -10.037 1.00 32.21 H new ATOM 852 N ARG A 54 3.026 -19.600 -8.761 1.00 3.41 N ATOM 853 CA ARG A 54 3.306 -18.194 -9.118 1.00 63.24 C ATOM 854 C ARG A 54 2.036 -17.322 -9.072 1.00 11.15 C ATOM 855 O ARG A 54 1.977 -16.258 -9.693 1.00 23.34 O ATOM 856 CB ARG A 54 3.950 -18.099 -10.515 1.00 32.15 C ATOM 857 CG ARG A 54 5.220 -18.930 -10.687 1.00 1.32 C ATOM 858 CD ARG A 54 6.294 -18.567 -9.667 1.00 34.14 C ATOM 859 NE ARG A 54 6.636 -17.144 -9.692 1.00 14.12 N ATOM 860 CZ ARG A 54 7.834 -16.675 -9.470 1.00 60.32 C ATOM 861 NH1 ARG A 54 8.843 -17.473 -9.315 1.00 14.23 N ATOM 862 NH2 ARG A 54 8.023 -15.400 -9.423 1.00 34.42 N ATOM 0 H ARG A 54 3.508 -19.916 -7.919 1.00 3.41 H new ATOM 0 HA ARG A 54 4.005 -17.814 -8.373 1.00 63.24 H new ATOM 0 HB2 ARG A 54 3.220 -18.417 -11.260 1.00 32.15 H new ATOM 0 HB3 ARG A 54 4.184 -17.055 -10.723 1.00 32.15 H new ATOM 0 HG2 ARG A 54 4.975 -19.988 -10.592 1.00 1.32 H new ATOM 0 HG3 ARG A 54 5.614 -18.784 -11.693 1.00 1.32 H new ATOM 0 HD2 ARG A 54 5.948 -18.836 -8.669 1.00 34.14 H new ATOM 0 HD3 ARG A 54 7.190 -19.156 -9.863 1.00 34.14 H new ATOM 0 HE ARG A 54 5.892 -16.477 -9.896 1.00 14.12 H new ATOM 0 HH11 ARG A 54 8.707 -18.483 -9.366 1.00 14.23 H new ATOM 0 HH12 ARG A 54 9.773 -17.092 -9.142 1.00 14.23 H new ATOM 0 HH21 ARG A 54 7.238 -14.763 -9.559 1.00 34.42 H new ATOM 0 HH22 ARG A 54 8.957 -15.029 -9.250 1.00 34.42 H new ATOM 876 N ARG A 55 1.035 -17.768 -8.318 1.00 50.42 N ATOM 877 CA ARG A 55 -0.231 -17.039 -8.197 1.00 22.13 C ATOM 878 C ARG A 55 -0.053 -15.723 -7.423 1.00 45.13 C ATOM 879 O ARG A 55 -0.114 -15.693 -6.192 1.00 53.45 O ATOM 880 CB ARG A 55 -1.285 -17.922 -7.513 1.00 50.30 C ATOM 881 CG ARG A 55 -2.656 -17.264 -7.368 1.00 30.34 C ATOM 882 CD ARG A 55 -3.667 -18.205 -6.717 1.00 73.43 C ATOM 883 NE ARG A 55 -3.868 -19.419 -7.508 1.00 75.22 N ATOM 884 CZ ARG A 55 -3.825 -20.635 -7.027 1.00 4.51 C ATOM 885 NH1 ARG A 55 -3.601 -20.846 -5.770 1.00 12.24 N ATOM 886 NH2 ARG A 55 -4.005 -21.645 -7.809 1.00 10.01 N ATOM 0 H ARG A 55 1.073 -18.633 -7.779 1.00 50.42 H new ATOM 0 HA ARG A 55 -0.571 -16.788 -9.202 1.00 22.13 H new ATOM 0 HB2 ARG A 55 -1.396 -18.844 -8.084 1.00 50.30 H new ATOM 0 HB3 ARG A 55 -0.922 -18.201 -6.524 1.00 50.30 H new ATOM 0 HG2 ARG A 55 -2.564 -16.358 -6.769 1.00 30.34 H new ATOM 0 HG3 ARG A 55 -3.020 -16.961 -8.350 1.00 30.34 H new ATOM 0 HD2 ARG A 55 -3.322 -18.475 -5.719 1.00 73.43 H new ATOM 0 HD3 ARG A 55 -4.619 -17.688 -6.596 1.00 73.43 H new ATOM 0 HE ARG A 55 -4.055 -19.310 -8.505 1.00 75.22 H new ATOM 0 HH11 ARG A 55 -3.455 -20.058 -5.139 1.00 12.24 H new ATOM 0 HH12 ARG A 55 -3.571 -21.800 -5.411 1.00 12.24 H new ATOM 0 HH21 ARG A 55 -4.181 -21.496 -8.803 1.00 10.01 H new ATOM 0 HH22 ARG A 55 -3.971 -22.593 -7.434 1.00 10.01 H new ATOM 900 N ASN A 56 0.181 -14.638 -8.154 1.00 41.35 N ATOM 901 CA ASN A 56 0.335 -13.316 -7.548 1.00 51.50 C ATOM 902 C ASN A 56 -1.031 -12.733 -7.161 1.00 52.25 C ATOM 903 O ASN A 56 -1.777 -12.246 -8.015 1.00 52.14 O ATOM 904 CB ASN A 56 1.060 -12.370 -8.513 1.00 24.04 C ATOM 905 CG ASN A 56 2.473 -12.829 -8.830 1.00 13.10 C ATOM 906 OD1 ASN A 56 3.138 -13.451 -8.010 1.00 10.43 O ATOM 907 ND2 ASN A 56 2.946 -12.522 -10.021 1.00 23.13 N ATOM 0 H ASN A 56 0.269 -14.646 -9.170 1.00 41.35 H new ATOM 0 HA ASN A 56 0.933 -13.422 -6.643 1.00 51.50 H new ATOM 0 HB2 ASN A 56 0.490 -12.295 -9.439 1.00 24.04 H new ATOM 0 HB3 ASN A 56 1.095 -11.371 -8.079 1.00 24.04 H new ATOM 0 HD21 ASN A 56 3.891 -12.803 -10.282 1.00 23.13 H new ATOM 0 HD22 ASN A 56 2.367 -12.003 -10.681 1.00 23.13 H new ATOM 914 N ILE A 57 -1.366 -12.813 -5.879 1.00 24.11 N ATOM 915 CA ILE A 57 -2.640 -12.293 -5.375 1.00 32.32 C ATOM 916 C ILE A 57 -2.429 -11.364 -4.170 1.00 63.43 C ATOM 917 O ILE A 57 -1.686 -11.685 -3.241 1.00 32.20 O ATOM 918 CB ILE A 57 -3.607 -13.444 -4.983 1.00 12.40 C ATOM 919 CG1 ILE A 57 -4.921 -12.874 -4.406 1.00 61.31 C ATOM 920 CG2 ILE A 57 -2.943 -14.404 -3.993 1.00 22.21 C ATOM 921 CD1 ILE A 57 -5.939 -13.930 -4.023 1.00 61.33 C ATOM 0 H ILE A 57 -0.773 -13.234 -5.164 1.00 24.11 H new ATOM 0 HA ILE A 57 -3.089 -11.719 -6.185 1.00 32.32 H new ATOM 0 HB ILE A 57 -3.848 -14.010 -5.883 1.00 12.40 H new ATOM 0 HG12 ILE A 57 -4.689 -12.273 -3.527 1.00 61.31 H new ATOM 0 HG13 ILE A 57 -5.367 -12.204 -5.141 1.00 61.31 H new ATOM 0 HG21 ILE A 57 -3.641 -15.200 -3.735 1.00 22.21 H new ATOM 0 HG22 ILE A 57 -2.051 -14.836 -4.447 1.00 22.21 H new ATOM 0 HG23 ILE A 57 -2.663 -13.860 -3.091 1.00 22.21 H new ATOM 0 HD11 ILE A 57 -6.832 -13.447 -3.627 1.00 61.33 H new ATOM 0 HD12 ILE A 57 -6.203 -14.516 -4.903 1.00 61.33 H new ATOM 0 HD13 ILE A 57 -5.514 -14.587 -3.264 1.00 61.33 H new ATOM 933 N ILE A 58 -3.080 -10.207 -4.206 1.00 55.31 N ATOM 934 CA ILE A 58 -2.997 -9.226 -3.120 1.00 43.22 C ATOM 935 C ILE A 58 -4.059 -9.512 -2.042 1.00 32.04 C ATOM 936 O ILE A 58 -5.216 -9.783 -2.361 1.00 44.22 O ATOM 937 CB ILE A 58 -3.194 -7.792 -3.675 1.00 72.03 C ATOM 938 CG1 ILE A 58 -2.146 -7.490 -4.760 1.00 52.33 C ATOM 939 CG2 ILE A 58 -3.128 -6.760 -2.553 1.00 5.03 C ATOM 940 CD1 ILE A 58 -2.316 -6.139 -5.425 1.00 64.22 C ATOM 0 H ILE A 58 -3.677 -9.920 -4.981 1.00 55.31 H new ATOM 0 HA ILE A 58 -2.008 -9.305 -2.668 1.00 43.22 H new ATOM 0 HB ILE A 58 -4.184 -7.731 -4.126 1.00 72.03 H new ATOM 0 HG12 ILE A 58 -1.152 -7.541 -4.315 1.00 52.33 H new ATOM 0 HG13 ILE A 58 -2.194 -8.267 -5.523 1.00 52.33 H new ATOM 0 HG21 ILE A 58 -3.269 -5.762 -2.968 1.00 5.03 H new ATOM 0 HG22 ILE A 58 -3.912 -6.964 -1.824 1.00 5.03 H new ATOM 0 HG23 ILE A 58 -2.155 -6.816 -2.064 1.00 5.03 H new ATOM 0 HD11 ILE A 58 -1.539 -6.003 -6.177 1.00 64.22 H new ATOM 0 HD12 ILE A 58 -3.295 -6.089 -5.902 1.00 64.22 H new ATOM 0 HD13 ILE A 58 -2.237 -5.352 -4.675 1.00 64.22 H new ATOM 952 N THR A 59 -3.670 -9.461 -0.767 1.00 3.45 N ATOM 953 CA THR A 59 -4.608 -9.745 0.332 1.00 65.44 C ATOM 954 C THR A 59 -4.290 -8.929 1.594 1.00 24.32 C ATOM 955 O THR A 59 -3.256 -8.265 1.677 1.00 0.41 O ATOM 956 CB THR A 59 -4.616 -11.251 0.695 1.00 25.51 C ATOM 957 OG1 THR A 59 -5.653 -11.531 1.651 1.00 63.21 O ATOM 958 CG2 THR A 59 -3.265 -11.692 1.258 1.00 60.21 C ATOM 0 H THR A 59 -2.723 -9.229 -0.467 1.00 3.45 H new ATOM 0 HA THR A 59 -5.593 -9.454 -0.032 1.00 65.44 H new ATOM 0 HB THR A 59 -4.808 -11.811 -0.220 1.00 25.51 H new ATOM 0 HG1 THR A 59 -5.647 -12.486 1.870 1.00 63.21 H new ATOM 0 HG21 THR A 59 -3.302 -12.753 1.503 1.00 60.21 H new ATOM 0 HG22 THR A 59 -2.487 -11.518 0.515 1.00 60.21 H new ATOM 0 HG23 THR A 59 -3.041 -11.119 2.158 1.00 60.21 H new ATOM 966 N ARG A 60 -5.181 -9.002 2.582 1.00 71.45 N ATOM 967 CA ARG A 60 -5.024 -8.257 3.836 1.00 20.23 C ATOM 968 C ARG A 60 -3.910 -8.858 4.709 1.00 64.54 C ATOM 969 O ARG A 60 -4.014 -9.992 5.179 1.00 32.31 O ATOM 970 CB ARG A 60 -6.355 -8.250 4.605 1.00 63.22 C ATOM 971 CG ARG A 60 -6.296 -7.558 5.967 1.00 60.14 C ATOM 972 CD ARG A 60 -7.664 -7.538 6.645 1.00 61.31 C ATOM 973 NE ARG A 60 -7.613 -6.973 7.993 1.00 51.21 N ATOM 974 CZ ARG A 60 -8.670 -6.602 8.671 1.00 43.43 C ATOM 975 NH1 ARG A 60 -9.851 -6.674 8.144 1.00 32.21 N ATOM 976 NH2 ARG A 60 -8.545 -6.149 9.876 1.00 24.44 N ATOM 0 H ARG A 60 -6.025 -9.573 2.540 1.00 71.45 H new ATOM 0 HA ARG A 60 -4.740 -7.233 3.592 1.00 20.23 H new ATOM 0 HB2 ARG A 60 -7.111 -7.757 3.994 1.00 63.22 H new ATOM 0 HB3 ARG A 60 -6.683 -9.280 4.748 1.00 63.22 H new ATOM 0 HG2 ARG A 60 -5.579 -8.073 6.607 1.00 60.14 H new ATOM 0 HG3 ARG A 60 -5.936 -6.537 5.842 1.00 60.14 H new ATOM 0 HD2 ARG A 60 -8.359 -6.958 6.037 1.00 61.31 H new ATOM 0 HD3 ARG A 60 -8.056 -8.554 6.695 1.00 61.31 H new ATOM 0 HE ARG A 60 -6.699 -6.861 8.431 1.00 51.21 H new ATOM 0 HH11 ARG A 60 -9.964 -7.022 7.192 1.00 32.21 H new ATOM 0 HH12 ARG A 60 -10.668 -6.382 8.681 1.00 32.21 H new ATOM 0 HH21 ARG A 60 -7.621 -6.080 10.301 1.00 24.44 H new ATOM 0 HH22 ARG A 60 -9.371 -5.861 10.401 1.00 24.44 H new ATOM 990 N GLY A 61 -2.852 -8.083 4.939 1.00 32.34 N ATOM 991 CA GLY A 61 -1.708 -8.570 5.706 1.00 2.42 C ATOM 992 C GLY A 61 -0.469 -8.792 4.846 1.00 4.24 C ATOM 993 O GLY A 61 0.616 -9.075 5.364 1.00 34.01 O ATOM 0 H GLY A 61 -2.763 -7.122 4.608 1.00 32.34 H new ATOM 0 HA2 GLY A 61 -1.474 -7.854 6.494 1.00 2.42 H new ATOM 0 HA3 GLY A 61 -1.977 -9.506 6.195 1.00 2.42 H new ATOM 997 N ALA A 62 -0.632 -8.673 3.530 1.00 14.31 N ATOM 998 CA ALA A 62 0.484 -8.818 2.593 1.00 60.21 C ATOM 999 C ALA A 62 1.155 -7.465 2.306 1.00 52.35 C ATOM 1000 O ALA A 62 0.480 -6.444 2.166 1.00 73.32 O ATOM 1001 CB ALA A 62 0.002 -9.457 1.292 1.00 42.23 C ATOM 0 H ALA A 62 -1.529 -8.476 3.086 1.00 14.31 H new ATOM 0 HA ALA A 62 1.227 -9.468 3.055 1.00 60.21 H new ATOM 0 HB1 ALA A 62 0.841 -9.559 0.604 1.00 42.23 H new ATOM 0 HB2 ALA A 62 -0.416 -10.441 1.503 1.00 42.23 H new ATOM 0 HB3 ALA A 62 -0.764 -8.827 0.839 1.00 42.23 H new ATOM 1007 N VAL A 63 2.484 -7.460 2.232 1.00 11.34 N ATOM 1008 CA VAL A 63 3.242 -6.236 1.945 1.00 51.05 C ATOM 1009 C VAL A 63 3.681 -6.183 0.472 1.00 45.44 C ATOM 1010 O VAL A 63 4.495 -6.990 0.024 1.00 64.43 O ATOM 1011 CB VAL A 63 4.491 -6.116 2.859 1.00 63.21 C ATOM 1012 CG1 VAL A 63 5.265 -4.829 2.566 1.00 24.11 C ATOM 1013 CG2 VAL A 63 4.086 -6.185 4.334 1.00 4.44 C ATOM 0 H VAL A 63 3.063 -8.289 2.366 1.00 11.34 H new ATOM 0 HA VAL A 63 2.576 -5.397 2.147 1.00 51.05 H new ATOM 0 HB VAL A 63 5.150 -6.957 2.645 1.00 63.21 H new ATOM 0 HG11 VAL A 63 6.135 -4.771 3.220 1.00 24.11 H new ATOM 0 HG12 VAL A 63 5.592 -4.830 1.526 1.00 24.11 H new ATOM 0 HG13 VAL A 63 4.620 -3.968 2.742 1.00 24.11 H new ATOM 0 HG21 VAL A 63 4.974 -6.099 4.960 1.00 4.44 H new ATOM 0 HG22 VAL A 63 3.401 -5.368 4.562 1.00 4.44 H new ATOM 0 HG23 VAL A 63 3.593 -7.137 4.532 1.00 4.44 H new ATOM 1023 N VAL A 64 3.141 -5.222 -0.274 1.00 22.42 N ATOM 1024 CA VAL A 64 3.465 -5.062 -1.697 1.00 64.52 C ATOM 1025 C VAL A 64 4.451 -3.904 -1.926 1.00 33.32 C ATOM 1026 O VAL A 64 4.523 -2.963 -1.129 1.00 73.21 O ATOM 1027 CB VAL A 64 2.187 -4.820 -2.544 1.00 52.04 C ATOM 1028 CG1 VAL A 64 1.241 -6.017 -2.455 1.00 32.34 C ATOM 1029 CG2 VAL A 64 1.479 -3.532 -2.114 1.00 73.00 C ATOM 0 H VAL A 64 2.474 -4.537 0.082 1.00 22.42 H new ATOM 0 HA VAL A 64 3.934 -5.993 -2.017 1.00 64.52 H new ATOM 0 HB VAL A 64 2.490 -4.705 -3.585 1.00 52.04 H new ATOM 0 HG11 VAL A 64 0.353 -5.824 -3.056 1.00 32.34 H new ATOM 0 HG12 VAL A 64 1.746 -6.908 -2.828 1.00 32.34 H new ATOM 0 HG13 VAL A 64 0.949 -6.174 -1.417 1.00 32.34 H new ATOM 0 HG21 VAL A 64 0.587 -3.386 -2.723 1.00 73.00 H new ATOM 0 HG22 VAL A 64 1.193 -3.607 -1.065 1.00 73.00 H new ATOM 0 HG23 VAL A 64 2.152 -2.685 -2.248 1.00 73.00 H new ATOM 1039 N GLU A 65 5.210 -3.974 -3.017 1.00 34.51 N ATOM 1040 CA GLU A 65 6.216 -2.948 -3.325 1.00 52.53 C ATOM 1041 C GLU A 65 5.657 -1.885 -4.287 1.00 54.52 C ATOM 1042 O GLU A 65 5.246 -2.199 -5.410 1.00 54.14 O ATOM 1043 CB GLU A 65 7.466 -3.599 -3.934 1.00 53.22 C ATOM 1044 CG GLU A 65 8.649 -2.644 -4.092 1.00 62.21 C ATOM 1045 CD GLU A 65 9.180 -2.143 -2.755 1.00 41.11 C ATOM 1046 OE1 GLU A 65 8.689 -1.110 -2.258 1.00 74.24 O ATOM 1047 OE2 GLU A 65 10.091 -2.787 -2.197 1.00 24.15 O ATOM 0 H GLU A 65 5.152 -4.726 -3.704 1.00 34.51 H new ATOM 0 HA GLU A 65 6.484 -2.452 -2.392 1.00 52.53 H new ATOM 0 HB2 GLU A 65 7.770 -4.437 -3.306 1.00 53.22 H new ATOM 0 HB3 GLU A 65 7.210 -4.009 -4.911 1.00 53.22 H new ATOM 0 HG2 GLU A 65 9.450 -3.150 -4.630 1.00 62.21 H new ATOM 0 HG3 GLU A 65 8.345 -1.792 -4.700 1.00 62.21 H new ATOM 1054 N THR A 66 5.653 -0.626 -3.849 1.00 1.13 N ATOM 1055 CA THR A 66 5.103 0.484 -4.650 1.00 51.12 C ATOM 1056 C THR A 66 6.152 1.579 -4.885 1.00 71.50 C ATOM 1057 O THR A 66 7.240 1.544 -4.311 1.00 62.24 O ATOM 1058 CB THR A 66 3.880 1.141 -3.961 1.00 23.33 C ATOM 1059 OG1 THR A 66 4.300 1.837 -2.776 1.00 74.12 O ATOM 1060 CG2 THR A 66 2.822 0.100 -3.604 1.00 44.43 C ATOM 0 H THR A 66 6.024 -0.342 -2.942 1.00 1.13 H new ATOM 0 HA THR A 66 4.799 0.045 -5.600 1.00 51.12 H new ATOM 0 HB THR A 66 3.437 1.850 -4.661 1.00 23.33 H new ATOM 0 HG1 THR A 66 4.906 1.266 -2.259 1.00 74.12 H new ATOM 0 HG21 THR A 66 1.976 0.591 -3.122 1.00 44.43 H new ATOM 0 HG22 THR A 66 2.483 -0.400 -4.511 1.00 44.43 H new ATOM 0 HG23 THR A 66 3.250 -0.636 -2.923 1.00 44.43 H new ATOM 1068 N ASN A 67 5.814 2.562 -5.718 1.00 1.51 N ATOM 1069 CA ASN A 67 6.707 3.702 -5.973 1.00 52.14 C ATOM 1070 C ASN A 67 7.063 4.449 -4.669 1.00 60.21 C ATOM 1071 O ASN A 67 8.167 4.984 -4.526 1.00 14.32 O ATOM 1072 CB ASN A 67 6.076 4.671 -6.986 1.00 75.13 C ATOM 1073 CG ASN A 67 4.682 5.125 -6.589 1.00 24.31 C ATOM 1074 OD1 ASN A 67 4.311 5.105 -5.429 1.00 60.25 O ATOM 1075 ND2 ASN A 67 3.900 5.553 -7.552 1.00 20.41 N ATOM 0 H ASN A 67 4.932 2.596 -6.229 1.00 1.51 H new ATOM 0 HA ASN A 67 7.631 3.305 -6.394 1.00 52.14 H new ATOM 0 HB2 ASN A 67 6.719 5.544 -7.093 1.00 75.13 H new ATOM 0 HB3 ASN A 67 6.030 4.188 -7.962 1.00 75.13 H new ATOM 0 HD21 ASN A 67 2.958 5.879 -7.337 1.00 20.41 H new ATOM 0 HD22 ASN A 67 4.234 5.560 -8.516 1.00 20.41 H new ATOM 1082 N LEU A 68 6.119 4.484 -3.727 1.00 41.45 N ATOM 1083 CA LEU A 68 6.340 5.123 -2.422 1.00 52.34 C ATOM 1084 C LEU A 68 7.219 4.244 -1.520 1.00 70.13 C ATOM 1085 O LEU A 68 8.006 4.750 -0.714 1.00 34.24 O ATOM 1086 CB LEU A 68 5.000 5.396 -1.719 1.00 32.42 C ATOM 1087 CG LEU A 68 3.962 6.195 -2.526 1.00 4.02 C ATOM 1088 CD1 LEU A 68 2.727 6.491 -1.676 1.00 61.05 C ATOM 1089 CD2 LEU A 68 4.564 7.487 -3.084 1.00 50.03 C ATOM 0 H LEU A 68 5.191 4.077 -3.841 1.00 41.45 H new ATOM 0 HA LEU A 68 6.852 6.068 -2.600 1.00 52.34 H new ATOM 0 HB2 LEU A 68 4.557 4.439 -1.442 1.00 32.42 H new ATOM 0 HB3 LEU A 68 5.202 5.934 -0.793 1.00 32.42 H new ATOM 0 HG LEU A 68 3.655 5.582 -3.373 1.00 4.02 H new ATOM 0 HD11 LEU A 68 2.006 7.057 -2.266 1.00 61.05 H new ATOM 0 HD12 LEU A 68 2.275 5.554 -1.352 1.00 61.05 H new ATOM 0 HD13 LEU A 68 3.018 7.074 -0.802 1.00 61.05 H new ATOM 0 HD21 LEU A 68 3.805 8.028 -3.649 1.00 50.03 H new ATOM 0 HD22 LEU A 68 4.916 8.109 -2.261 1.00 50.03 H new ATOM 0 HD23 LEU A 68 5.400 7.245 -3.740 1.00 50.03 H new ATOM 1101 N GLY A 69 7.079 2.929 -1.667 1.00 42.35 N ATOM 1102 CA GLY A 69 7.813 1.986 -0.832 1.00 23.50 C ATOM 1103 C GLY A 69 6.977 0.776 -0.423 1.00 75.32 C ATOM 1104 O GLY A 69 6.002 0.428 -1.097 1.00 60.25 O ATOM 0 H GLY A 69 6.465 2.494 -2.356 1.00 42.35 H new ATOM 0 HA2 GLY A 69 8.697 1.645 -1.370 1.00 23.50 H new ATOM 0 HA3 GLY A 69 8.163 2.499 0.064 1.00 23.50 H new ATOM 1108 N ASN A 70 7.356 0.134 0.681 1.00 43.11 N ATOM 1109 CA ASN A 70 6.638 -1.045 1.184 1.00 34.23 C ATOM 1110 C ASN A 70 5.244 -0.666 1.706 1.00 41.40 C ATOM 1111 O ASN A 70 5.109 0.207 2.560 1.00 4.11 O ATOM 1112 CB ASN A 70 7.437 -1.719 2.308 1.00 61.14 C ATOM 1113 CG ASN A 70 8.910 -1.900 1.976 1.00 24.53 C ATOM 1114 OD1 ASN A 70 9.753 -1.922 2.868 1.00 12.14 O ATOM 1115 ND2 ASN A 70 9.237 -2.020 0.702 1.00 44.02 N ATOM 0 H ASN A 70 8.158 0.408 1.248 1.00 43.11 H new ATOM 0 HA ASN A 70 6.522 -1.740 0.352 1.00 34.23 H new ATOM 0 HB2 ASN A 70 7.347 -1.122 3.216 1.00 61.14 H new ATOM 0 HB3 ASN A 70 6.998 -2.693 2.522 1.00 61.14 H new ATOM 0 HD21 ASN A 70 10.215 -2.135 0.435 1.00 44.02 H new ATOM 0 HD22 ASN A 70 8.512 -1.998 -0.015 1.00 44.02 H new ATOM 1122 N VAL A 71 4.211 -1.330 1.197 1.00 41.42 N ATOM 1123 CA VAL A 71 2.828 -1.037 1.597 1.00 31.31 C ATOM 1124 C VAL A 71 2.089 -2.295 2.084 1.00 62.43 C ATOM 1125 O VAL A 71 1.924 -3.255 1.335 1.00 74.31 O ATOM 1126 CB VAL A 71 2.033 -0.405 0.424 1.00 4.04 C ATOM 1127 CG1 VAL A 71 0.593 -0.110 0.832 1.00 73.23 C ATOM 1128 CG2 VAL A 71 2.722 0.864 -0.071 1.00 24.25 C ATOM 0 H VAL A 71 4.299 -2.075 0.506 1.00 41.42 H new ATOM 0 HA VAL A 71 2.888 -0.329 2.423 1.00 31.31 H new ATOM 0 HB VAL A 71 2.010 -1.126 -0.393 1.00 4.04 H new ATOM 0 HG11 VAL A 71 0.060 0.332 -0.009 1.00 73.23 H new ATOM 0 HG12 VAL A 71 0.101 -1.037 1.127 1.00 73.23 H new ATOM 0 HG13 VAL A 71 0.588 0.586 1.671 1.00 73.23 H new ATOM 0 HG21 VAL A 71 2.149 1.292 -0.894 1.00 24.25 H new ATOM 0 HG22 VAL A 71 2.783 1.586 0.743 1.00 24.25 H new ATOM 0 HG23 VAL A 71 3.727 0.621 -0.417 1.00 24.25 H new ATOM 1138 N ARG A 72 1.641 -2.283 3.342 1.00 5.11 N ATOM 1139 CA ARG A 72 0.871 -3.403 3.895 1.00 33.32 C ATOM 1140 C ARG A 72 -0.616 -3.275 3.538 1.00 31.42 C ATOM 1141 O ARG A 72 -1.307 -2.389 4.038 1.00 31.31 O ATOM 1142 CB ARG A 72 1.037 -3.481 5.419 1.00 14.15 C ATOM 1143 CG ARG A 72 0.356 -4.699 6.038 1.00 43.31 C ATOM 1144 CD ARG A 72 0.644 -4.827 7.529 1.00 65.41 C ATOM 1145 NE ARG A 72 0.083 -3.724 8.308 1.00 73.43 N ATOM 1146 CZ ARG A 72 0.186 -3.617 9.611 1.00 21.23 C ATOM 1147 NH1 ARG A 72 0.760 -4.544 10.307 1.00 65.24 N ATOM 1148 NH2 ARG A 72 -0.318 -2.596 10.219 1.00 51.04 N ATOM 0 H ARG A 72 1.796 -1.515 3.995 1.00 5.11 H new ATOM 0 HA ARG A 72 1.259 -4.321 3.453 1.00 33.32 H new ATOM 0 HB2 ARG A 72 2.099 -3.505 5.661 1.00 14.15 H new ATOM 0 HB3 ARG A 72 0.628 -2.577 5.869 1.00 14.15 H new ATOM 0 HG2 ARG A 72 -0.721 -4.628 5.883 1.00 43.31 H new ATOM 0 HG3 ARG A 72 0.693 -5.600 5.526 1.00 43.31 H new ATOM 0 HD2 ARG A 72 0.236 -5.769 7.894 1.00 65.41 H new ATOM 0 HD3 ARG A 72 1.722 -4.865 7.685 1.00 65.41 H new ATOM 0 HE ARG A 72 -0.420 -2.992 7.807 1.00 73.43 H new ATOM 0 HH11 ARG A 72 1.139 -5.370 9.843 1.00 65.24 H new ATOM 0 HH12 ARG A 72 0.834 -4.449 11.320 1.00 65.24 H new ATOM 0 HH21 ARG A 72 -0.797 -1.871 9.686 1.00 51.04 H new ATOM 0 HH22 ARG A 72 -0.237 -2.515 11.233 1.00 51.04 H new ATOM 1162 N VAL A 73 -1.095 -4.168 2.687 1.00 13.41 N ATOM 1163 CA VAL A 73 -2.467 -4.106 2.171 1.00 50.53 C ATOM 1164 C VAL A 73 -3.517 -4.467 3.239 1.00 10.54 C ATOM 1165 O VAL A 73 -3.402 -5.481 3.931 1.00 55.13 O ATOM 1166 CB VAL A 73 -2.628 -5.044 0.953 1.00 33.34 C ATOM 1167 CG1 VAL A 73 -4.050 -4.985 0.396 1.00 20.23 C ATOM 1168 CG2 VAL A 73 -1.601 -4.695 -0.125 1.00 10.14 C ATOM 0 H VAL A 73 -0.553 -4.955 2.332 1.00 13.41 H new ATOM 0 HA VAL A 73 -2.642 -3.073 1.870 1.00 50.53 H new ATOM 0 HB VAL A 73 -2.447 -6.067 1.283 1.00 33.34 H new ATOM 0 HG11 VAL A 73 -4.134 -5.655 -0.460 1.00 20.23 H new ATOM 0 HG12 VAL A 73 -4.756 -5.292 1.168 1.00 20.23 H new ATOM 0 HG13 VAL A 73 -4.276 -3.966 0.083 1.00 20.23 H new ATOM 0 HG21 VAL A 73 -1.726 -5.364 -0.977 1.00 10.14 H new ATOM 0 HG22 VAL A 73 -1.748 -3.664 -0.448 1.00 10.14 H new ATOM 0 HG23 VAL A 73 -0.595 -4.808 0.280 1.00 10.14 H new ATOM 1178 N THR A 74 -4.540 -3.625 3.358 1.00 54.42 N ATOM 1179 CA THR A 74 -5.639 -3.846 4.310 1.00 54.41 C ATOM 1180 C THR A 74 -6.926 -4.299 3.602 1.00 25.04 C ATOM 1181 O THR A 74 -7.715 -5.071 4.156 1.00 63.55 O ATOM 1182 CB THR A 74 -5.950 -2.562 5.111 1.00 60.22 C ATOM 1183 OG1 THR A 74 -6.389 -1.521 4.222 1.00 0.24 O ATOM 1184 CG2 THR A 74 -4.723 -2.087 5.881 1.00 3.22 C ATOM 0 H THR A 74 -4.636 -2.774 2.804 1.00 54.42 H new ATOM 0 HA THR A 74 -5.305 -4.633 4.986 1.00 54.41 H new ATOM 0 HB THR A 74 -6.741 -2.793 5.824 1.00 60.22 H new ATOM 0 HG1 THR A 74 -6.586 -0.711 4.738 1.00 0.24 H new ATOM 0 HG21 THR A 74 -4.970 -1.182 6.436 1.00 3.22 H new ATOM 0 HG22 THR A 74 -4.407 -2.864 6.577 1.00 3.22 H new ATOM 0 HG23 THR A 74 -3.914 -1.875 5.182 1.00 3.22 H new ATOM 1192 N SER A 75 -7.141 -3.812 2.382 1.00 60.41 N ATOM 1193 CA SER A 75 -8.348 -4.152 1.609 1.00 44.11 C ATOM 1194 C SER A 75 -8.006 -4.992 0.377 1.00 74.35 C ATOM 1195 O SER A 75 -7.072 -4.675 -0.359 1.00 50.34 O ATOM 1196 CB SER A 75 -9.089 -2.883 1.173 1.00 33.44 C ATOM 1197 OG SER A 75 -10.293 -3.201 0.486 1.00 61.35 O ATOM 0 H SER A 75 -6.500 -3.181 1.902 1.00 60.41 H new ATOM 0 HA SER A 75 -8.994 -4.740 2.261 1.00 44.11 H new ATOM 0 HB2 SER A 75 -9.316 -2.273 2.047 1.00 33.44 H new ATOM 0 HB3 SER A 75 -8.445 -2.287 0.527 1.00 33.44 H new ATOM 0 HG SER A 75 -10.747 -2.374 0.221 1.00 61.35 H new ATOM 1203 N ARG A 76 -8.778 -6.055 0.145 1.00 62.33 N ATOM 1204 CA ARG A 76 -8.489 -6.999 -0.943 1.00 32.32 C ATOM 1205 C ARG A 76 -8.981 -6.487 -2.310 1.00 14.44 C ATOM 1206 O ARG A 76 -10.047 -5.868 -2.416 1.00 41.23 O ATOM 1207 CB ARG A 76 -9.103 -8.374 -0.638 1.00 15.11 C ATOM 1208 CG ARG A 76 -8.656 -8.960 0.696 1.00 42.43 C ATOM 1209 CD ARG A 76 -9.053 -10.428 0.839 1.00 22.04 C ATOM 1210 NE ARG A 76 -10.474 -10.656 0.571 1.00 72.43 N ATOM 1211 CZ ARG A 76 -11.329 -11.113 1.445 1.00 22.20 C ATOM 1212 NH1 ARG A 76 -10.974 -11.312 2.674 1.00 54.51 N ATOM 1213 NH2 ARG A 76 -12.548 -11.353 1.095 1.00 64.32 N ATOM 0 H ARG A 76 -9.607 -6.286 0.693 1.00 62.33 H new ATOM 0 HA ARG A 76 -7.405 -7.094 -1.004 1.00 32.32 H new ATOM 0 HB2 ARG A 76 -10.189 -8.286 -0.641 1.00 15.11 H new ATOM 0 HB3 ARG A 76 -8.837 -9.066 -1.437 1.00 15.11 H new ATOM 0 HG2 ARG A 76 -7.574 -8.867 0.788 1.00 42.43 H new ATOM 0 HG3 ARG A 76 -9.096 -8.385 1.510 1.00 42.43 H new ATOM 0 HD2 ARG A 76 -8.457 -11.030 0.153 1.00 22.04 H new ATOM 0 HD3 ARG A 76 -8.818 -10.767 1.848 1.00 22.04 H new ATOM 0 HE ARG A 76 -10.820 -10.443 -0.364 1.00 72.43 H new ATOM 0 HH11 ARG A 76 -10.018 -11.111 2.968 1.00 54.51 H new ATOM 0 HH12 ARG A 76 -11.650 -11.669 3.349 1.00 54.51 H new ATOM 0 HH21 ARG A 76 -12.845 -11.186 0.134 1.00 64.32 H new ATOM 0 HH22 ARG A 76 -13.214 -11.710 1.780 1.00 64.32 H new ATOM 1227 N PRO A 77 -8.205 -6.757 -3.381 1.00 63.20 N ATOM 1228 CA PRO A 77 -8.498 -6.259 -4.739 1.00 74.10 C ATOM 1229 C PRO A 77 -9.814 -6.796 -5.322 1.00 43.44 C ATOM 1230 O PRO A 77 -9.870 -7.904 -5.856 1.00 51.22 O ATOM 1231 CB PRO A 77 -7.296 -6.755 -5.566 1.00 52.32 C ATOM 1232 CG PRO A 77 -6.769 -7.919 -4.799 1.00 42.24 C ATOM 1233 CD PRO A 77 -6.973 -7.566 -3.355 1.00 32.02 C ATOM 0 HA PRO A 77 -8.629 -5.177 -4.743 1.00 74.10 H new ATOM 0 HB2 PRO A 77 -7.600 -7.047 -6.571 1.00 52.32 H new ATOM 0 HB3 PRO A 77 -6.541 -5.977 -5.674 1.00 52.32 H new ATOM 0 HG2 PRO A 77 -7.300 -8.835 -5.059 1.00 42.24 H new ATOM 0 HG3 PRO A 77 -5.715 -8.089 -5.017 1.00 42.24 H new ATOM 0 HD2 PRO A 77 -7.087 -8.455 -2.735 1.00 32.02 H new ATOM 0 HD3 PRO A 77 -6.130 -7.004 -2.954 1.00 32.02 H new ATOM 1241 N GLY A 78 -10.877 -6.005 -5.210 1.00 42.44 N ATOM 1242 CA GLY A 78 -12.156 -6.383 -5.799 1.00 30.33 C ATOM 1243 C GLY A 78 -13.359 -5.985 -4.951 1.00 31.25 C ATOM 1244 O GLY A 78 -14.439 -5.732 -5.484 1.00 60.30 O ATOM 0 H GLY A 78 -10.879 -5.109 -4.723 1.00 42.44 H new ATOM 0 HA2 GLY A 78 -12.245 -5.920 -6.782 1.00 30.33 H new ATOM 0 HA3 GLY A 78 -12.171 -7.462 -5.953 1.00 30.33 H new ATOM 1248 N GLN A 79 -13.168 -5.915 -3.633 1.00 11.22 N ATOM 1249 CA GLN A 79 -14.257 -5.575 -2.701 1.00 32.15 C ATOM 1250 C GLN A 79 -14.947 -4.253 -3.090 1.00 65.40 C ATOM 1251 O GLN A 79 -16.107 -4.241 -3.516 1.00 22.05 O ATOM 1252 CB GLN A 79 -13.710 -5.493 -1.268 1.00 62.31 C ATOM 1253 CG GLN A 79 -12.978 -6.757 -0.818 1.00 74.20 C ATOM 1254 CD GLN A 79 -13.866 -7.990 -0.832 1.00 34.20 C ATOM 1255 OE1 GLN A 79 -15.065 -7.911 -0.597 1.00 13.13 O ATOM 1256 NE2 GLN A 79 -13.292 -9.138 -1.127 1.00 54.03 N ATOM 0 H GLN A 79 -12.270 -6.089 -3.181 1.00 11.22 H new ATOM 0 HA GLN A 79 -15.008 -6.364 -2.756 1.00 32.15 H new ATOM 0 HB2 GLN A 79 -13.030 -4.644 -1.196 1.00 62.31 H new ATOM 0 HB3 GLN A 79 -14.536 -5.299 -0.584 1.00 62.31 H new ATOM 0 HG2 GLN A 79 -12.120 -6.926 -1.469 1.00 74.20 H new ATOM 0 HG3 GLN A 79 -12.589 -6.607 0.189 1.00 74.20 H new ATOM 0 HE21 GLN A 79 -12.291 -9.173 -1.318 1.00 54.03 H new ATOM 0 HE22 GLN A 79 -13.849 -9.992 -1.164 1.00 54.03 H new ATOM 1265 N ASP A 80 -14.224 -3.146 -2.952 1.00 24.11 N ATOM 1266 CA ASP A 80 -14.714 -1.836 -3.392 1.00 61.34 C ATOM 1267 C ASP A 80 -14.131 -1.463 -4.766 1.00 21.11 C ATOM 1268 O ASP A 80 -14.145 -0.296 -5.165 1.00 72.02 O ATOM 1269 CB ASP A 80 -14.345 -0.771 -2.354 1.00 61.44 C ATOM 1270 CG ASP A 80 -15.016 -1.022 -1.017 1.00 61.03 C ATOM 1271 OD1 ASP A 80 -16.263 -0.949 -0.949 1.00 14.03 O ATOM 1272 OD2 ASP A 80 -14.309 -1.304 -0.028 1.00 44.41 O ATOM 0 H ASP A 80 -13.292 -3.126 -2.538 1.00 24.11 H new ATOM 0 HA ASP A 80 -15.799 -1.886 -3.488 1.00 61.34 H new ATOM 0 HB2 ASP A 80 -13.263 -0.756 -2.219 1.00 61.44 H new ATOM 0 HB3 ASP A 80 -14.634 0.212 -2.725 1.00 61.44 H new ATOM 1277 N GLY A 81 -13.625 -2.461 -5.491 1.00 73.04 N ATOM 1278 CA GLY A 81 -12.965 -2.209 -6.772 1.00 13.42 C ATOM 1279 C GLY A 81 -11.539 -1.674 -6.610 1.00 4.42 C ATOM 1280 O GLY A 81 -10.660 -1.965 -7.424 1.00 22.22 O ATOM 0 H GLY A 81 -13.659 -3.443 -5.216 1.00 73.04 H new ATOM 0 HA2 GLY A 81 -12.938 -3.133 -7.350 1.00 13.42 H new ATOM 0 HA3 GLY A 81 -13.554 -1.492 -7.344 1.00 13.42 H new ATOM 1284 N VAL A 82 -11.315 -0.895 -5.557 1.00 60.53 N ATOM 1285 CA VAL A 82 -9.998 -0.319 -5.264 1.00 24.41 C ATOM 1286 C VAL A 82 -9.254 -1.124 -4.179 1.00 3.23 C ATOM 1287 O VAL A 82 -9.865 -1.859 -3.398 1.00 72.00 O ATOM 1288 CB VAL A 82 -10.142 1.156 -4.804 1.00 61.02 C ATOM 1289 CG1 VAL A 82 -10.909 1.247 -3.484 1.00 73.54 C ATOM 1290 CG2 VAL A 82 -8.778 1.836 -4.696 1.00 32.13 C ATOM 0 H VAL A 82 -12.036 -0.643 -4.881 1.00 60.53 H new ATOM 0 HA VAL A 82 -9.414 -0.360 -6.183 1.00 24.41 H new ATOM 0 HB VAL A 82 -10.718 1.687 -5.562 1.00 61.02 H new ATOM 0 HG11 VAL A 82 -10.995 2.292 -3.185 1.00 73.54 H new ATOM 0 HG12 VAL A 82 -11.905 0.823 -3.612 1.00 73.54 H new ATOM 0 HG13 VAL A 82 -10.374 0.692 -2.713 1.00 73.54 H new ATOM 0 HG21 VAL A 82 -8.911 2.868 -4.372 1.00 32.13 H new ATOM 0 HG22 VAL A 82 -8.163 1.304 -3.970 1.00 32.13 H new ATOM 0 HG23 VAL A 82 -8.286 1.822 -5.669 1.00 32.13 H new ATOM 1300 N ILE A 83 -7.931 -0.983 -4.148 1.00 42.42 N ATOM 1301 CA ILE A 83 -7.090 -1.627 -3.134 1.00 74.02 C ATOM 1302 C ILE A 83 -6.599 -0.592 -2.107 1.00 65.04 C ATOM 1303 O ILE A 83 -6.309 0.549 -2.464 1.00 44.32 O ATOM 1304 CB ILE A 83 -5.859 -2.301 -3.796 1.00 73.14 C ATOM 1305 CG1 ILE A 83 -6.299 -3.214 -4.957 1.00 54.44 C ATOM 1306 CG2 ILE A 83 -5.055 -3.094 -2.765 1.00 74.34 C ATOM 1307 CD1 ILE A 83 -5.147 -3.749 -5.785 1.00 0.25 C ATOM 0 H ILE A 83 -7.410 -0.421 -4.822 1.00 42.42 H new ATOM 0 HA ILE A 83 -7.692 -2.384 -2.631 1.00 74.02 H new ATOM 0 HB ILE A 83 -5.218 -1.517 -4.199 1.00 73.14 H new ATOM 0 HG12 ILE A 83 -6.864 -4.054 -4.552 1.00 54.44 H new ATOM 0 HG13 ILE A 83 -6.975 -2.659 -5.608 1.00 54.44 H new ATOM 0 HG21 ILE A 83 -4.197 -3.558 -3.251 1.00 74.34 H new ATOM 0 HG22 ILE A 83 -4.708 -2.423 -1.980 1.00 74.34 H new ATOM 0 HG23 ILE A 83 -5.686 -3.868 -2.328 1.00 74.34 H new ATOM 0 HD11 ILE A 83 -5.535 -4.383 -6.582 1.00 0.25 H new ATOM 0 HD12 ILE A 83 -4.594 -2.916 -6.220 1.00 0.25 H new ATOM 0 HD13 ILE A 83 -4.482 -4.333 -5.149 1.00 0.25 H new ATOM 1319 N ASN A 84 -6.503 -0.987 -0.838 1.00 32.11 N ATOM 1320 CA ASN A 84 -6.014 -0.084 0.217 1.00 34.25 C ATOM 1321 C ASN A 84 -4.852 -0.715 0.996 1.00 62.14 C ATOM 1322 O ASN A 84 -4.820 -1.929 1.200 1.00 12.41 O ATOM 1323 CB ASN A 84 -7.144 0.280 1.188 1.00 14.44 C ATOM 1324 CG ASN A 84 -8.264 1.063 0.523 1.00 15.52 C ATOM 1325 OD1 ASN A 84 -9.226 0.491 0.019 1.00 50.25 O ATOM 1326 ND2 ASN A 84 -8.157 2.377 0.525 1.00 70.22 N ATOM 0 H ASN A 84 -6.754 -1.920 -0.511 1.00 32.11 H new ATOM 0 HA ASN A 84 -5.655 0.822 -0.271 1.00 34.25 H new ATOM 0 HB2 ASN A 84 -7.553 -0.633 1.621 1.00 14.44 H new ATOM 0 HB3 ASN A 84 -6.735 0.867 2.010 1.00 14.44 H new ATOM 0 HD21 ASN A 84 -8.887 2.949 0.099 1.00 70.22 H new ATOM 0 HD22 ASN A 84 -7.345 2.822 0.952 1.00 70.22 H new ATOM 1333 N GLY A 85 -3.909 0.117 1.439 1.00 53.32 N ATOM 1334 CA GLY A 85 -2.765 -0.374 2.205 1.00 2.45 C ATOM 1335 C GLY A 85 -2.149 0.692 3.109 1.00 32.02 C ATOM 1336 O GLY A 85 -2.629 1.822 3.154 1.00 1.45 O ATOM 0 H GLY A 85 -3.914 1.125 1.282 1.00 53.32 H new ATOM 0 HA2 GLY A 85 -3.080 -1.221 2.814 1.00 2.45 H new ATOM 0 HA3 GLY A 85 -2.005 -0.742 1.516 1.00 2.45 H new ATOM 1340 N VAL A 86 -1.085 0.330 3.829 1.00 41.32 N ATOM 1341 CA VAL A 86 -0.388 1.265 4.730 1.00 64.11 C ATOM 1342 C VAL A 86 1.107 1.354 4.380 1.00 44.10 C ATOM 1343 O VAL A 86 1.783 0.333 4.256 1.00 22.41 O ATOM 1344 CB VAL A 86 -0.523 0.824 6.211 1.00 41.50 C ATOM 1345 CG1 VAL A 86 -0.084 1.937 7.159 1.00 50.20 C ATOM 1346 CG2 VAL A 86 -1.946 0.371 6.521 1.00 54.35 C ATOM 0 H VAL A 86 -0.682 -0.607 3.809 1.00 41.32 H new ATOM 0 HA VAL A 86 -0.855 2.241 4.599 1.00 64.11 H new ATOM 0 HB VAL A 86 0.140 -0.027 6.366 1.00 41.50 H new ATOM 0 HG11 VAL A 86 -0.190 1.599 8.190 1.00 50.20 H new ATOM 0 HG12 VAL A 86 0.958 2.190 6.965 1.00 50.20 H new ATOM 0 HG13 VAL A 86 -0.707 2.817 7.000 1.00 50.20 H new ATOM 0 HG21 VAL A 86 -2.012 0.067 7.566 1.00 54.35 H new ATOM 0 HG22 VAL A 86 -2.638 1.193 6.338 1.00 54.35 H new ATOM 0 HG23 VAL A 86 -2.207 -0.472 5.881 1.00 54.35 H new ATOM 1356 N LEU A 87 1.622 2.575 4.232 1.00 52.52 N ATOM 1357 CA LEU A 87 3.034 2.783 3.879 1.00 41.11 C ATOM 1358 C LEU A 87 3.959 2.506 5.073 1.00 51.32 C ATOM 1359 O LEU A 87 4.042 3.299 6.010 1.00 65.40 O ATOM 1360 CB LEU A 87 3.254 4.220 3.376 1.00 50.24 C ATOM 1361 CG LEU A 87 4.690 4.550 2.925 1.00 70.02 C ATOM 1362 CD1 LEU A 87 5.106 3.679 1.739 1.00 65.23 C ATOM 1363 CD2 LEU A 87 4.814 6.032 2.574 1.00 43.51 C ATOM 0 H LEU A 87 1.087 3.436 4.350 1.00 52.52 H new ATOM 0 HA LEU A 87 3.281 2.079 3.085 1.00 41.11 H new ATOM 0 HB2 LEU A 87 2.578 4.402 2.540 1.00 50.24 H new ATOM 0 HB3 LEU A 87 2.973 4.912 4.170 1.00 50.24 H new ATOM 0 HG LEU A 87 5.363 4.333 3.754 1.00 70.02 H new ATOM 0 HD11 LEU A 87 6.123 3.932 1.441 1.00 65.23 H new ATOM 0 HD12 LEU A 87 5.063 2.628 2.026 1.00 65.23 H new ATOM 0 HD13 LEU A 87 4.429 3.855 0.903 1.00 65.23 H new ATOM 0 HD21 LEU A 87 5.835 6.247 2.258 1.00 43.51 H new ATOM 0 HD22 LEU A 87 4.125 6.273 1.765 1.00 43.51 H new ATOM 0 HD23 LEU A 87 4.571 6.635 3.449 1.00 43.51 H new ATOM 1375 N ILE A 88 4.664 1.383 5.031 1.00 45.15 N ATOM 1376 CA ILE A 88 5.583 1.003 6.110 1.00 1.54 C ATOM 1377 C ILE A 88 7.023 0.858 5.595 1.00 62.53 C ATOM 1378 O ILE A 88 7.292 0.988 4.398 1.00 52.32 O ATOM 1379 CB ILE A 88 5.142 -0.320 6.789 1.00 64.32 C ATOM 1380 CG1 ILE A 88 5.218 -1.487 5.792 1.00 64.44 C ATOM 1381 CG2 ILE A 88 3.733 -0.179 7.367 1.00 22.44 C ATOM 1382 CD1 ILE A 88 4.558 -2.763 6.276 1.00 73.33 C ATOM 0 H ILE A 88 4.621 0.714 4.262 1.00 45.15 H new ATOM 0 HA ILE A 88 5.552 1.805 6.847 1.00 1.54 H new ATOM 0 HB ILE A 88 5.824 -0.536 7.612 1.00 64.32 H new ATOM 0 HG12 ILE A 88 4.750 -1.182 4.856 1.00 64.44 H new ATOM 0 HG13 ILE A 88 6.265 -1.694 5.572 1.00 64.44 H new ATOM 0 HG21 ILE A 88 3.438 -1.116 7.840 1.00 22.44 H new ATOM 0 HG22 ILE A 88 3.722 0.621 8.108 1.00 22.44 H new ATOM 0 HG23 ILE A 88 3.033 0.059 6.566 1.00 22.44 H new ATOM 0 HD11 ILE A 88 4.657 -3.536 5.513 1.00 73.33 H new ATOM 0 HD12 ILE A 88 5.040 -3.096 7.195 1.00 73.33 H new ATOM 0 HD13 ILE A 88 3.502 -2.576 6.468 1.00 73.33 H new ATOM 1394 N ARG A 89 7.948 0.586 6.505 1.00 1.30 N ATOM 1395 CA ARG A 89 9.370 0.457 6.159 1.00 31.13 C ATOM 1396 C ARG A 89 9.945 -0.853 6.712 1.00 55.31 C ATOM 1397 O ARG A 89 10.417 -0.907 7.848 1.00 54.51 O ATOM 1398 CB ARG A 89 10.174 1.651 6.704 1.00 72.30 C ATOM 1399 CG ARG A 89 9.641 3.023 6.283 1.00 0.32 C ATOM 1400 CD ARG A 89 9.585 3.178 4.766 1.00 21.13 C ATOM 1401 NE ARG A 89 10.897 3.031 4.140 1.00 74.15 N ATOM 1402 CZ ARG A 89 11.151 2.221 3.148 1.00 14.31 C ATOM 1403 NH1 ARG A 89 10.230 1.432 2.689 1.00 22.05 N ATOM 1404 NH2 ARG A 89 12.331 2.198 2.620 1.00 12.41 N ATOM 0 H ARG A 89 7.745 0.449 7.495 1.00 1.30 H new ATOM 0 HA ARG A 89 9.451 0.446 5.072 1.00 31.13 H new ATOM 0 HB2 ARG A 89 10.185 1.598 7.793 1.00 72.30 H new ATOM 0 HB3 ARG A 89 11.208 1.559 6.370 1.00 72.30 H new ATOM 0 HG2 ARG A 89 8.644 3.167 6.698 1.00 0.32 H new ATOM 0 HG3 ARG A 89 10.277 3.803 6.703 1.00 0.32 H new ATOM 0 HD2 ARG A 89 8.903 2.434 4.353 1.00 21.13 H new ATOM 0 HD3 ARG A 89 9.176 4.158 4.519 1.00 21.13 H new ATOM 0 HE ARG A 89 11.664 3.598 4.501 1.00 74.15 H new ATOM 0 HH11 ARG A 89 9.298 1.441 3.103 1.00 22.05 H new ATOM 0 HH12 ARG A 89 10.438 0.803 1.914 1.00 22.05 H new ATOM 0 HH21 ARG A 89 13.062 2.812 2.979 1.00 12.41 H new ATOM 0 HH22 ARG A 89 12.531 1.566 1.845 1.00 12.41 H new ATOM 1418 N GLU A 90 9.891 -1.911 5.908 1.00 14.24 N ATOM 1419 CA GLU A 90 10.351 -3.240 6.338 1.00 73.03 C ATOM 1420 C GLU A 90 11.687 -3.612 5.681 1.00 75.43 C ATOM 1421 O GLU A 90 12.639 -4.020 6.353 1.00 4.35 O ATOM 1422 CB GLU A 90 9.294 -4.300 5.988 1.00 15.23 C ATOM 1423 CG GLU A 90 7.915 -4.033 6.584 1.00 33.20 C ATOM 1424 CD GLU A 90 7.907 -4.074 8.105 1.00 74.15 C ATOM 1425 OE1 GLU A 90 7.957 -5.186 8.670 1.00 50.24 O ATOM 1426 OE2 GLU A 90 7.837 -3.001 8.744 1.00 31.15 O ATOM 0 H GLU A 90 9.534 -1.880 4.953 1.00 14.24 H new ATOM 0 HA GLU A 90 10.499 -3.208 7.417 1.00 73.03 H new ATOM 0 HB2 GLU A 90 9.203 -4.361 4.904 1.00 15.23 H new ATOM 0 HB3 GLU A 90 9.644 -5.273 6.333 1.00 15.23 H new ATOM 0 HG2 GLU A 90 7.564 -3.056 6.250 1.00 33.20 H new ATOM 0 HG3 GLU A 90 7.211 -4.772 6.202 1.00 33.20 H new ATOM 1433 N LEU A 91 11.746 -3.465 4.362 1.00 43.22 N ATOM 1434 CA LEU A 91 12.921 -3.858 3.582 1.00 44.21 C ATOM 1435 C LEU A 91 14.107 -2.903 3.787 1.00 55.42 C ATOM 1436 O LEU A 91 14.016 -1.906 4.507 1.00 40.24 O ATOM 1437 CB LEU A 91 12.553 -3.926 2.096 1.00 53.32 C ATOM 1438 CG LEU A 91 11.422 -4.907 1.745 1.00 64.43 C ATOM 1439 CD1 LEU A 91 11.093 -4.825 0.259 1.00 33.40 C ATOM 1440 CD2 LEU A 91 11.797 -6.336 2.145 1.00 31.45 C ATOM 0 H LEU A 91 10.988 -3.073 3.803 1.00 43.22 H new ATOM 0 HA LEU A 91 13.236 -4.840 3.935 1.00 44.21 H new ATOM 0 HB2 LEU A 91 12.263 -2.929 1.764 1.00 53.32 H new ATOM 0 HB3 LEU A 91 13.442 -4.204 1.530 1.00 53.32 H new ATOM 0 HG LEU A 91 10.533 -4.626 2.309 1.00 64.43 H new ATOM 0 HD11 LEU A 91 10.291 -5.525 0.025 1.00 33.40 H new ATOM 0 HD12 LEU A 91 10.775 -3.812 0.012 1.00 33.40 H new ATOM 0 HD13 LEU A 91 11.978 -5.079 -0.324 1.00 33.40 H new ATOM 0 HD21 LEU A 91 10.982 -7.012 1.887 1.00 31.45 H new ATOM 0 HD22 LEU A 91 12.700 -6.637 1.614 1.00 31.45 H new ATOM 0 HD23 LEU A 91 11.977 -6.378 3.219 1.00 31.45 H new ATOM 1452 N GLU A 92 15.222 -3.223 3.136 1.00 14.12 N ATOM 1453 CA GLU A 92 16.460 -2.449 3.255 1.00 61.02 C ATOM 1454 C GLU A 92 16.260 -0.968 2.887 1.00 51.10 C ATOM 1455 O GLU A 92 15.928 -0.637 1.748 1.00 33.01 O ATOM 1456 CB GLU A 92 17.529 -3.078 2.354 1.00 41.14 C ATOM 1457 CG GLU A 92 18.897 -2.415 2.445 1.00 72.24 C ATOM 1458 CD GLU A 92 19.942 -3.136 1.613 1.00 71.33 C ATOM 1459 OE1 GLU A 92 20.407 -4.216 2.042 1.00 70.15 O ATOM 1460 OE2 GLU A 92 20.286 -2.646 0.519 1.00 5.14 O ATOM 0 H GLU A 92 15.296 -4.025 2.511 1.00 14.12 H new ATOM 0 HA GLU A 92 16.779 -2.476 4.297 1.00 61.02 H new ATOM 0 HB2 GLU A 92 17.631 -4.132 2.613 1.00 41.14 H new ATOM 0 HB3 GLU A 92 17.186 -3.036 1.320 1.00 41.14 H new ATOM 0 HG2 GLU A 92 18.820 -1.380 2.111 1.00 72.24 H new ATOM 0 HG3 GLU A 92 19.218 -2.391 3.486 1.00 72.24 H new ATOM 1467 N HIS A 93 16.468 -0.080 3.856 1.00 34.34 N ATOM 1468 CA HIS A 93 16.332 1.362 3.627 1.00 10.45 C ATOM 1469 C HIS A 93 17.674 1.974 3.194 1.00 4.41 C ATOM 1470 O HIS A 93 18.720 1.664 3.761 1.00 5.33 O ATOM 1471 CB HIS A 93 15.804 2.060 4.892 1.00 52.41 C ATOM 1472 CG HIS A 93 16.668 1.875 6.111 1.00 40.42 C ATOM 1473 ND1 HIS A 93 16.468 0.871 7.035 1.00 23.42 N ATOM 1474 CD2 HIS A 93 17.735 2.582 6.562 1.00 33.23 C ATOM 1475 CE1 HIS A 93 17.368 0.967 7.991 1.00 55.44 C ATOM 1476 NE2 HIS A 93 18.147 1.993 7.730 1.00 13.10 N ATOM 0 H HIS A 93 16.732 -0.331 4.809 1.00 34.34 H new ATOM 0 HA HIS A 93 15.613 1.514 2.822 1.00 10.45 H new ATOM 0 HB2 HIS A 93 15.706 3.127 4.690 1.00 52.41 H new ATOM 0 HB3 HIS A 93 14.804 1.684 5.110 1.00 52.41 H new ATOM 0 HD2 HIS A 93 18.177 3.447 6.090 1.00 33.23 H new ATOM 0 HE1 HIS A 93 17.452 0.313 8.846 1.00 55.44 H new ATOM 0 HE2 HIS A 93 18.932 2.302 8.304 1.00 13.10 H new ATOM 1485 N HIS A 94 17.642 2.841 2.185 1.00 42.31 N ATOM 1486 CA HIS A 94 18.868 3.455 1.664 1.00 71.22 C ATOM 1487 C HIS A 94 18.969 4.940 2.056 1.00 10.13 C ATOM 1488 O HIS A 94 17.981 5.676 2.017 1.00 71.31 O ATOM 1489 CB HIS A 94 18.925 3.296 0.143 1.00 20.22 C ATOM 1490 CG HIS A 94 18.932 1.864 -0.300 1.00 4.33 C ATOM 1491 ND1 HIS A 94 18.005 1.344 -1.173 1.00 43.34 N ATOM 1492 CD2 HIS A 94 19.763 0.839 0.009 1.00 13.42 C ATOM 1493 CE1 HIS A 94 18.252 0.069 -1.377 1.00 61.32 C ATOM 1494 NE2 HIS A 94 19.313 -0.264 -0.674 1.00 31.52 N ATOM 0 H HIS A 94 16.788 3.135 1.712 1.00 42.31 H new ATOM 0 HA HIS A 94 19.720 2.941 2.110 1.00 71.22 H new ATOM 0 HB2 HIS A 94 18.069 3.803 -0.301 1.00 20.22 H new ATOM 0 HB3 HIS A 94 19.820 3.791 -0.235 1.00 20.22 H new ATOM 0 HD2 HIS A 94 20.618 0.882 0.668 1.00 13.42 H new ATOM 0 HE1 HIS A 94 17.682 -0.592 -2.013 1.00 61.32 H new ATOM 0 HE2 HIS A 94 19.734 -1.193 -0.642 1.00 31.52 H new ATOM 1503 N HIS A 95 20.177 5.375 2.424 1.00 51.13 N ATOM 1504 CA HIS A 95 20.397 6.754 2.890 1.00 50.41 C ATOM 1505 C HIS A 95 21.129 7.610 1.837 1.00 23.54 C ATOM 1506 O HIS A 95 20.678 8.706 1.494 1.00 24.25 O ATOM 1507 CB HIS A 95 21.176 6.751 4.220 1.00 62.33 C ATOM 1508 CG HIS A 95 22.576 6.218 4.116 1.00 1.10 C ATOM 1509 ND1 HIS A 95 23.690 7.028 4.103 1.00 73.53 N ATOM 1510 CD2 HIS A 95 23.042 4.948 4.020 1.00 54.42 C ATOM 1511 CE1 HIS A 95 24.773 6.287 3.997 1.00 12.12 C ATOM 1512 NE2 HIS A 95 24.408 5.026 3.946 1.00 65.32 N ATOM 0 H HIS A 95 21.018 4.797 2.410 1.00 51.13 H new ATOM 0 HA HIS A 95 19.418 7.206 3.051 1.00 50.41 H new ATOM 0 HB2 HIS A 95 21.215 7.769 4.607 1.00 62.33 H new ATOM 0 HB3 HIS A 95 20.626 6.155 4.948 1.00 62.33 H new ATOM 0 HD2 HIS A 95 22.449 4.046 4.005 1.00 54.42 H new ATOM 0 HE1 HIS A 95 25.788 6.653 3.959 1.00 12.12 H new ATOM 0 HE2 HIS A 95 25.041 4.231 3.864 1.00 65.32 H new ATOM 1521 N HIS A 96 22.245 7.101 1.307 1.00 35.03 N ATOM 1522 CA HIS A 96 23.055 7.852 0.340 1.00 55.21 C ATOM 1523 C HIS A 96 22.407 7.803 -1.051 1.00 2.22 C ATOM 1524 O HIS A 96 22.748 6.963 -1.889 1.00 62.32 O ATOM 1525 CB HIS A 96 24.489 7.303 0.295 1.00 73.23 C ATOM 1526 CG HIS A 96 25.458 8.190 -0.435 1.00 5.42 C ATOM 1527 ND1 HIS A 96 25.506 8.295 -1.810 1.00 55.40 N ATOM 1528 CD2 HIS A 96 26.422 9.021 0.030 1.00 4.13 C ATOM 1529 CE1 HIS A 96 26.456 9.144 -2.155 1.00 14.22 C ATOM 1530 NE2 HIS A 96 27.023 9.598 -1.060 1.00 4.45 N ATOM 0 H HIS A 96 22.609 6.174 1.530 1.00 35.03 H new ATOM 0 HA HIS A 96 23.102 8.893 0.660 1.00 55.21 H new ATOM 0 HB2 HIS A 96 24.844 7.156 1.315 1.00 73.23 H new ATOM 0 HB3 HIS A 96 24.478 6.323 -0.183 1.00 73.23 H new ATOM 0 HD1 HIS A 96 24.900 7.794 -2.460 1.00 55.40 H new ATOM 0 HD2 HIS A 96 26.671 9.197 1.066 1.00 4.13 H new ATOM 0 HE1 HIS A 96 26.722 9.419 -3.165 1.00 14.22 H new ATOM 1539 N HIS A 97 21.461 8.704 -1.270 1.00 52.21 N ATOM 1540 CA HIS A 97 20.631 8.697 -2.480 1.00 22.43 C ATOM 1541 C HIS A 97 21.104 9.723 -3.520 1.00 10.21 C ATOM 1542 O HIS A 97 21.975 10.549 -3.245 1.00 33.02 O ATOM 1543 CB HIS A 97 19.175 8.979 -2.098 1.00 55.44 C ATOM 1544 CG HIS A 97 19.015 10.189 -1.224 1.00 74.33 C ATOM 1545 ND1 HIS A 97 18.847 10.108 0.141 1.00 64.04 N ATOM 1546 CD2 HIS A 97 19.019 11.510 -1.519 1.00 62.53 C ATOM 1547 CE1 HIS A 97 18.752 11.320 0.644 1.00 5.31 C ATOM 1548 NE2 HIS A 97 18.855 12.190 -0.337 1.00 23.51 N ATOM 0 H HIS A 97 21.242 9.460 -0.621 1.00 52.21 H new ATOM 0 HA HIS A 97 20.720 7.711 -2.936 1.00 22.43 H new ATOM 0 HB2 HIS A 97 18.588 9.115 -3.006 1.00 55.44 H new ATOM 0 HB3 HIS A 97 18.767 8.110 -1.582 1.00 55.44 H new ATOM 0 HD1 HIS A 97 18.803 9.242 0.679 1.00 64.04 H new ATOM 0 HD2 HIS A 97 19.130 11.947 -2.500 1.00 62.53 H new ATOM 0 HE1 HIS A 97 18.613 11.560 1.688 1.00 5.31 H new ATOM 1557 N HIS A 98 20.509 9.666 -4.711 1.00 20.32 N ATOM 1558 CA HIS A 98 20.804 10.629 -5.779 1.00 50.11 C ATOM 1559 C HIS A 98 19.512 11.059 -6.507 1.00 63.03 C ATOM 1560 O HIS A 98 19.200 10.494 -7.577 1.00 38.59 O ATOM 1561 CB HIS A 98 21.814 10.023 -6.772 1.00 33.53 C ATOM 1562 CG HIS A 98 22.261 10.984 -7.836 1.00 51.23 C ATOM 1563 ND1 HIS A 98 23.145 12.012 -7.592 1.00 13.35 N ATOM 1564 CD2 HIS A 98 21.927 11.089 -9.147 1.00 13.20 C ATOM 1565 CE1 HIS A 98 23.336 12.700 -8.698 1.00 61.31 C ATOM 1566 NE2 HIS A 98 22.612 12.164 -9.655 1.00 40.30 N ATOM 1567 OXT HIS A 98 18.804 11.952 -5.992 1.00 38.59 O ATOM 0 H HIS A 98 19.817 8.961 -4.964 1.00 20.32 H new ATOM 0 HA HIS A 98 21.245 11.519 -5.330 1.00 50.11 H new ATOM 0 HB2 HIS A 98 22.687 9.672 -6.221 1.00 33.53 H new ATOM 0 HB3 HIS A 98 21.365 9.151 -7.247 1.00 33.53 H new ATOM 0 HD2 HIS A 98 21.249 10.447 -9.689 1.00 13.20 H new ATOM 0 HE1 HIS A 98 23.980 13.561 -8.802 1.00 61.31 H new ATOM 0 HE2 HIS A 98 22.567 12.494 -10.619 1.00 40.30 H new TER 1576 HIS A 98