USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN :FLIP amide:sc= 0.611 F(o=-1.6,f=-0.86) USER MOD Set 1.2: A 83 GLN : amide:sc= -1.47 X(o=-0.86,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.151) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= 0.818 (180deg=0.468) USER MOD Single : A 20 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 0.664 (180deg=0.265) USER MOD Single : A 33 HIS :FLIP no HD1:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.4!) USER MOD Single : A 51 CYS SG : rot -1:sc= 1.14 USER MOD Single : A 55 HIS : no HD1:sc= -2.65 K(o=-2.6,f=-4.1) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 71 THR OG1 : rot -170:sc= -1.47 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.32 F(o=-0.93,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0825 K(o=-0.082,f=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.846 -1.196 2.687 1.00 0.00 N ATOM 2 CA PRO A 9 -16.720 -1.090 1.206 1.00 0.00 C ATOM 3 C PRO A 9 -15.259 -1.158 0.751 1.00 0.00 C ATOM 4 O PRO A 9 -14.485 -0.228 0.982 1.00 0.00 O ATOM 5 CB PRO A 9 -17.349 0.236 0.785 1.00 0.00 C ATOM 6 CG PRO A 9 -17.656 0.925 2.073 1.00 0.00 C ATOM 7 CD PRO A 9 -17.802 -0.160 3.113 1.00 0.00 C ATOM 0 HA PRO A 9 -17.231 -1.931 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.665 0.824 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.251 0.078 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.858 1.617 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.572 1.511 1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.570 0.211 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.821 -0.547 3.146 1.00 0.00 H new ATOM 17 N ILE A 10 -14.892 -2.266 0.108 1.00 0.00 N ATOM 18 CA ILE A 10 -13.525 -2.457 -0.376 1.00 0.00 C ATOM 19 C ILE A 10 -13.314 -1.781 -1.735 1.00 0.00 C ATOM 20 O ILE A 10 -14.200 -1.798 -2.593 1.00 0.00 O ATOM 21 CB ILE A 10 -13.163 -3.959 -0.481 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.703 -4.132 -0.916 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.101 -4.682 -1.443 1.00 0.00 C ATOM 24 CD1 ILE A 10 -10.989 -5.267 -0.214 1.00 0.00 C ATOM 0 H ILE A 10 -15.521 -3.044 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.865 -1.990 0.355 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.284 -4.406 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.672 -4.305 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.164 -3.203 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.825 -5.735 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.127 -4.594 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.022 -4.234 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.962 -5.328 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.988 -5.086 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.503 -6.205 -0.424 1.00 0.00 H new ATOM 36 N ARG A 11 -12.134 -1.183 -1.921 1.00 0.00 N ATOM 37 CA ARG A 11 -11.804 -0.501 -3.172 1.00 0.00 C ATOM 38 C ARG A 11 -10.541 -1.088 -3.803 1.00 0.00 C ATOM 39 O ARG A 11 -9.529 -1.280 -3.125 1.00 0.00 O ATOM 40 CB ARG A 11 -11.614 1.000 -2.929 1.00 0.00 C ATOM 41 CG ARG A 11 -12.134 1.870 -4.063 1.00 0.00 C ATOM 42 CD ARG A 11 -11.425 3.217 -4.108 1.00 0.00 C ATOM 43 NE ARG A 11 -12.340 4.309 -4.442 1.00 0.00 N ATOM 44 CZ ARG A 11 -11.949 5.514 -4.866 1.00 0.00 C ATOM 45 NH1 ARG A 11 -10.655 5.798 -5.006 1.00 0.00 N ATOM 46 NH2 ARG A 11 -12.857 6.442 -5.149 1.00 0.00 N ATOM 0 H ARG A 11 -11.393 -1.158 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.635 -0.649 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.123 1.278 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.554 1.205 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.994 1.353 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.206 2.026 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.962 3.415 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.622 3.179 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.341 4.139 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.952 5.092 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.368 6.721 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.850 6.233 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.561 7.363 -5.473 1.00 0.00 H new ATOM 60 N LYS A 12 -10.608 -1.364 -5.107 1.00 0.00 N ATOM 61 CA LYS A 12 -9.470 -1.922 -5.838 1.00 0.00 C ATOM 62 C LYS A 12 -8.793 -0.841 -6.681 1.00 0.00 C ATOM 63 O LYS A 12 -9.374 -0.346 -7.650 1.00 0.00 O ATOM 64 CB LYS A 12 -9.919 -3.080 -6.741 1.00 0.00 C ATOM 65 CG LYS A 12 -10.881 -4.054 -6.074 1.00 0.00 C ATOM 66 CD LYS A 12 -10.167 -4.962 -5.084 1.00 0.00 C ATOM 67 CE LYS A 12 -10.932 -6.260 -4.856 1.00 0.00 C ATOM 68 NZ LYS A 12 -12.372 -6.018 -4.555 1.00 0.00 N ATOM 0 H LYS A 12 -11.439 -1.210 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.755 -2.303 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.395 -2.669 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.038 -3.628 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.663 -3.497 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.371 -4.660 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.167 -5.189 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.044 -4.440 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.848 -6.890 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.477 -6.808 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.807 -6.897 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.455 -5.281 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.860 -5.707 -5.419 1.00 0.00 H new ATOM 82 N VAL A 13 -7.566 -0.474 -6.306 1.00 0.00 N ATOM 83 CA VAL A 13 -6.814 0.553 -7.029 1.00 0.00 C ATOM 84 C VAL A 13 -5.522 -0.015 -7.619 1.00 0.00 C ATOM 85 O VAL A 13 -4.816 -0.787 -6.967 1.00 0.00 O ATOM 86 CB VAL A 13 -6.466 1.752 -6.115 1.00 0.00 C ATOM 87 CG1 VAL A 13 -5.875 2.897 -6.928 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.692 2.225 -5.344 1.00 0.00 C ATOM 0 H VAL A 13 -7.073 -0.872 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.458 0.898 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.719 1.418 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.638 3.729 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.966 2.559 -7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.598 3.223 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.420 3.068 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.466 2.534 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.068 1.411 -4.724 1.00 0.00 H new ATOM 98 N LEU A 14 -5.219 0.381 -8.857 1.00 0.00 N ATOM 99 CA LEU A 14 -4.013 -0.077 -9.544 1.00 0.00 C ATOM 100 C LEU A 14 -2.988 1.051 -9.654 1.00 0.00 C ATOM 101 O LEU A 14 -3.305 2.143 -10.131 1.00 0.00 O ATOM 102 CB LEU A 14 -4.367 -0.602 -10.939 1.00 0.00 C ATOM 103 CG LEU A 14 -3.334 -1.548 -11.561 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.028 -2.684 -12.298 1.00 0.00 C ATOM 105 CD2 LEU A 14 -2.406 -0.787 -12.498 1.00 0.00 C ATOM 0 H LEU A 14 -5.795 1.020 -9.405 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.573 -0.885 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.324 -1.121 -10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.505 0.249 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.732 -1.976 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.280 -3.346 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.647 -3.246 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.655 -2.274 -13.090 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.680 -1.476 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.990 -0.329 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.882 -0.011 -11.940 1.00 0.00 H new ATOM 117 N LEU A 15 -1.761 0.778 -9.212 1.00 0.00 N ATOM 118 CA LEU A 15 -0.686 1.767 -9.261 1.00 0.00 C ATOM 119 C LEU A 15 0.427 1.321 -10.209 1.00 0.00 C ATOM 120 O LEU A 15 0.737 0.132 -10.304 1.00 0.00 O ATOM 121 CB LEU A 15 -0.118 2.006 -7.856 1.00 0.00 C ATOM 122 CG LEU A 15 -0.020 3.477 -7.436 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.408 4.087 -7.287 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.767 3.613 -6.140 1.00 0.00 C ATOM 0 H LEU A 15 -1.487 -0.121 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.103 2.701 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.742 1.479 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.876 1.562 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 15 0.510 4.021 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.316 5.131 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.936 4.027 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.966 3.540 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.826 4.664 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.267 3.053 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.773 3.219 -6.282 1.00 0.00 H new ATOM 136 N LEU A 16 1.023 2.288 -10.908 1.00 0.00 N ATOM 137 CA LEU A 16 2.101 2.008 -11.852 1.00 0.00 C ATOM 138 C LEU A 16 3.441 2.517 -11.319 1.00 0.00 C ATOM 139 O LEU A 16 3.627 3.721 -11.134 1.00 0.00 O ATOM 140 CB LEU A 16 1.795 2.653 -13.208 1.00 0.00 C ATOM 141 CG LEU A 16 0.798 1.883 -14.080 1.00 0.00 C ATOM 142 CD1 LEU A 16 -0.210 2.833 -14.712 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.528 1.087 -15.152 1.00 0.00 C ATOM 0 H LEU A 16 0.775 3.275 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 16 2.172 0.928 -11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.406 3.657 -13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.728 2.763 -13.760 1.00 0.00 H new ATOM 0 HG LEU A 16 0.256 1.184 -13.443 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.909 2.266 -15.327 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.758 3.356 -13.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.314 3.559 -15.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.803 0.547 -15.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.099 1.767 -15.785 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.206 0.376 -14.679 1.00 0.00 H new ATOM 155 N LYS A 17 4.367 1.589 -11.074 1.00 0.00 N ATOM 156 CA LYS A 17 5.691 1.934 -10.560 1.00 0.00 C ATOM 157 C LYS A 17 6.785 1.541 -11.552 1.00 0.00 C ATOM 158 O LYS A 17 6.743 0.459 -12.141 1.00 0.00 O ATOM 159 CB LYS A 17 5.928 1.241 -9.214 1.00 0.00 C ATOM 160 CG LYS A 17 7.257 1.595 -8.558 1.00 0.00 C ATOM 161 CD LYS A 17 8.114 0.358 -8.327 1.00 0.00 C ATOM 162 CE LYS A 17 8.085 -0.082 -6.870 1.00 0.00 C ATOM 163 NZ LYS A 17 8.086 -1.566 -6.731 1.00 0.00 N ATOM 0 H LYS A 17 4.223 0.590 -11.224 1.00 0.00 H new ATOM 0 HA LYS A 17 5.731 3.014 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.118 1.505 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.883 0.162 -9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.798 2.301 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.073 2.094 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.758 -0.455 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.142 0.567 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.950 0.331 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.198 0.326 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.638 -1.831 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.555 -1.989 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.065 -1.915 -6.746 1.00 0.00 H new ATOM 177 N GLU A 18 7.768 2.426 -11.722 1.00 0.00 N ATOM 178 CA GLU A 18 8.885 2.181 -12.634 1.00 0.00 C ATOM 179 C GLU A 18 10.199 2.073 -11.862 1.00 0.00 C ATOM 180 O GLU A 18 10.262 2.414 -10.680 1.00 0.00 O ATOM 181 CB GLU A 18 8.986 3.307 -13.668 1.00 0.00 C ATOM 182 CG GLU A 18 8.118 3.087 -14.897 1.00 0.00 C ATOM 183 CD GLU A 18 8.024 4.321 -15.774 1.00 0.00 C ATOM 184 OE1 GLU A 18 7.488 5.347 -15.304 1.00 0.00 O ATOM 185 OE2 GLU A 18 8.491 4.265 -16.931 1.00 0.00 O ATOM 0 H GLU A 18 7.813 3.323 -11.238 1.00 0.00 H new ATOM 0 HA GLU A 18 8.701 1.238 -13.149 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.702 4.248 -13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.025 3.409 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.524 2.261 -15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.117 2.793 -14.582 1.00 0.00 H new ATOM 192 N ASP A 19 11.247 1.601 -12.541 1.00 0.00 N ATOM 193 CA ASP A 19 12.566 1.453 -11.920 1.00 0.00 C ATOM 194 C ASP A 19 13.060 2.781 -11.350 1.00 0.00 C ATOM 195 O ASP A 19 13.676 2.817 -10.284 1.00 0.00 O ATOM 196 CB ASP A 19 13.580 0.916 -12.936 1.00 0.00 C ATOM 197 CG ASP A 19 13.865 -0.561 -12.744 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.914 -1.368 -12.827 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.041 -0.913 -12.511 1.00 0.00 O ATOM 0 H ASP A 19 11.208 1.315 -13.519 1.00 0.00 H new ATOM 0 HA ASP A 19 12.468 0.741 -11.101 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.202 1.082 -13.945 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.510 1.477 -12.848 1.00 0.00 H new ATOM 204 N HIS A 20 12.785 3.871 -12.066 1.00 0.00 N ATOM 205 CA HIS A 20 13.201 5.203 -11.632 1.00 0.00 C ATOM 206 C HIS A 20 12.199 5.811 -10.641 1.00 0.00 C ATOM 207 O HIS A 20 12.564 6.667 -9.834 1.00 0.00 O ATOM 208 CB HIS A 20 13.375 6.125 -12.846 1.00 0.00 C ATOM 209 CG HIS A 20 12.097 6.422 -13.575 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.355 7.565 -13.358 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.430 5.718 -14.521 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.289 7.551 -14.138 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.311 6.441 -14.852 1.00 0.00 N ATOM 0 H HIS A 20 12.276 3.857 -12.950 1.00 0.00 H new ATOM 0 HA HIS A 20 14.157 5.104 -11.118 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.819 7.064 -12.516 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.079 5.666 -13.540 1.00 0.00 H new ATOM 0 HD1 HIS A 20 11.593 8.305 -12.698 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.724 4.766 -14.937 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.529 8.317 -14.184 1.00 0.00 H new ATOM 222 N GLU A 21 10.938 5.369 -10.707 1.00 0.00 N ATOM 223 CA GLU A 21 9.892 5.877 -9.817 1.00 0.00 C ATOM 224 C GLU A 21 9.765 5.021 -8.555 1.00 0.00 C ATOM 225 O GLU A 21 10.417 3.981 -8.429 1.00 0.00 O ATOM 226 CB GLU A 21 8.550 5.928 -10.554 1.00 0.00 C ATOM 227 CG GLU A 21 8.293 7.254 -11.255 1.00 0.00 C ATOM 228 CD GLU A 21 7.311 8.142 -10.510 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.256 7.633 -10.073 1.00 0.00 O ATOM 230 OE2 GLU A 21 7.596 9.349 -10.366 1.00 0.00 O ATOM 0 H GLU A 21 10.619 4.661 -11.368 1.00 0.00 H new ATOM 0 HA GLU A 21 10.174 6.885 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.518 5.125 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.746 5.740 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.238 7.785 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.910 7.060 -12.257 1.00 0.00 H new ATOM 237 N GLY A 22 8.925 5.472 -7.618 1.00 0.00 N ATOM 238 CA GLY A 22 8.729 4.742 -6.374 1.00 0.00 C ATOM 239 C GLY A 22 7.263 4.575 -6.008 1.00 0.00 C ATOM 240 O GLY A 22 6.410 4.436 -6.887 1.00 0.00 O ATOM 0 H GLY A 22 8.378 6.329 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.191 3.758 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.242 5.266 -5.567 1.00 0.00 H new ATOM 244 N LEU A 23 6.973 4.583 -4.704 1.00 0.00 N ATOM 245 CA LEU A 23 5.602 4.426 -4.214 1.00 0.00 C ATOM 246 C LEU A 23 4.848 5.757 -4.246 1.00 0.00 C ATOM 247 O LEU A 23 3.894 5.918 -5.010 1.00 0.00 O ATOM 248 CB LEU A 23 5.603 3.862 -2.785 1.00 0.00 C ATOM 249 CG LEU A 23 5.468 2.339 -2.682 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.178 1.823 -1.438 1.00 0.00 C ATOM 251 CD2 LEU A 23 3.999 1.935 -2.664 1.00 0.00 C ATOM 0 H LEU A 23 7.671 4.697 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 23 5.092 3.725 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.529 4.162 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.785 4.321 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 23 5.939 1.891 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.072 0.740 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.236 2.082 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.736 2.278 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.921 0.850 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.506 2.393 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.518 2.272 -3.582 1.00 0.00 H new ATOM 263 N GLY A 24 5.282 6.705 -3.412 1.00 0.00 N ATOM 264 CA GLY A 24 4.639 8.009 -3.359 1.00 0.00 C ATOM 265 C GLY A 24 3.803 8.229 -2.104 1.00 0.00 C ATOM 266 O GLY A 24 3.144 9.259 -1.976 1.00 0.00 O ATOM 0 H GLY A 24 6.068 6.591 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.403 8.784 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.001 8.126 -4.235 1.00 0.00 H new ATOM 270 N ILE A 25 3.828 7.269 -1.175 1.00 0.00 N ATOM 271 CA ILE A 25 3.063 7.383 0.068 1.00 0.00 C ATOM 272 C ILE A 25 3.798 6.718 1.229 1.00 0.00 C ATOM 273 O ILE A 25 4.505 5.726 1.039 1.00 0.00 O ATOM 274 CB ILE A 25 1.658 6.751 -0.055 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.752 5.337 -0.639 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.746 7.624 -0.905 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.479 4.247 0.374 1.00 0.00 C ATOM 0 H ILE A 25 4.368 6.408 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 25 2.953 8.450 0.262 1.00 0.00 H new ATOM 0 HB ILE A 25 1.227 6.681 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.042 5.244 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.747 5.191 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.237 7.160 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.650 8.607 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.172 7.731 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.563 3.273 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.204 4.314 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.473 4.368 0.776 1.00 0.00 H new ATOM 289 N SER A 26 3.617 7.265 2.431 1.00 0.00 N ATOM 290 CA SER A 26 4.251 6.721 3.629 1.00 0.00 C ATOM 291 C SER A 26 3.253 5.902 4.444 1.00 0.00 C ATOM 292 O SER A 26 2.097 6.301 4.611 1.00 0.00 O ATOM 293 CB SER A 26 4.829 7.848 4.489 1.00 0.00 C ATOM 294 OG SER A 26 5.807 7.353 5.389 1.00 0.00 O ATOM 0 H SER A 26 3.035 8.086 2.600 1.00 0.00 H new ATOM 0 HA SER A 26 5.064 6.066 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.273 8.609 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.027 8.331 5.048 1.00 0.00 H new ATOM 0 HG SER A 26 6.162 8.092 5.925 1.00 0.00 H new ATOM 300 N ILE A 27 3.707 4.755 4.947 1.00 0.00 N ATOM 301 CA ILE A 27 2.856 3.871 5.741 1.00 0.00 C ATOM 302 C ILE A 27 3.366 3.741 7.176 1.00 0.00 C ATOM 303 O ILE A 27 4.559 3.906 7.441 1.00 0.00 O ATOM 304 CB ILE A 27 2.759 2.463 5.112 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.156 1.893 4.842 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.940 2.506 3.828 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.170 0.393 4.642 1.00 0.00 C ATOM 0 H ILE A 27 4.660 4.416 4.818 1.00 0.00 H new ATOM 0 HA ILE A 27 1.865 4.326 5.754 1.00 0.00 H new ATOM 0 HB ILE A 27 2.254 1.806 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.570 2.373 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.810 2.146 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.883 1.505 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.935 2.864 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.416 3.179 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.191 0.060 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.786 -0.097 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.543 0.134 3.789 1.00 0.00 H new ATOM 319 N THR A 28 2.452 3.442 8.099 1.00 0.00 N ATOM 320 CA THR A 28 2.804 3.286 9.508 1.00 0.00 C ATOM 321 C THR A 28 2.010 2.146 10.152 1.00 0.00 C ATOM 322 O THR A 28 0.896 1.832 9.724 1.00 0.00 O ATOM 323 CB THR A 28 2.567 4.602 10.263 1.00 0.00 C ATOM 324 OG1 THR A 28 3.016 4.503 11.606 1.00 0.00 O ATOM 325 CG2 THR A 28 1.114 5.036 10.288 1.00 0.00 C ATOM 0 H THR A 28 1.462 3.303 7.895 1.00 0.00 H new ATOM 0 HA THR A 28 3.862 3.032 9.569 1.00 0.00 H new ATOM 0 HB THR A 28 3.137 5.351 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.857 5.353 12.068 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.023 5.973 10.838 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.759 5.179 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.513 4.269 10.777 1.00 0.00 H new ATOM 333 N GLY A 29 2.597 1.532 11.182 1.00 0.00 N ATOM 334 CA GLY A 29 1.945 0.431 11.876 1.00 0.00 C ATOM 335 C GLY A 29 2.855 -0.775 12.037 1.00 0.00 C ATOM 336 O GLY A 29 4.079 -0.631 12.083 1.00 0.00 O ATOM 0 H GLY A 29 3.516 1.780 11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.617 0.769 12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.051 0.137 11.326 1.00 0.00 H new ATOM 340 N GLY A 30 2.259 -1.967 12.119 1.00 0.00 N ATOM 341 CA GLY A 30 3.045 -3.181 12.270 1.00 0.00 C ATOM 342 C GLY A 30 2.206 -4.384 12.668 1.00 0.00 C ATOM 343 O GLY A 30 1.572 -4.384 13.725 1.00 0.00 O ATOM 0 H GLY A 30 1.250 -2.111 12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.556 -3.396 11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.816 -3.017 13.023 1.00 0.00 H new ATOM 347 N LYS A 31 2.214 -5.416 11.819 1.00 0.00 N ATOM 348 CA LYS A 31 1.458 -6.644 12.079 1.00 0.00 C ATOM 349 C LYS A 31 1.909 -7.310 13.380 1.00 0.00 C ATOM 350 O LYS A 31 1.095 -7.885 14.103 1.00 0.00 O ATOM 351 CB LYS A 31 1.618 -7.625 10.914 1.00 0.00 C ATOM 352 CG LYS A 31 0.655 -8.803 10.966 1.00 0.00 C ATOM 353 CD LYS A 31 1.252 -9.983 11.720 1.00 0.00 C ATOM 354 CE LYS A 31 0.430 -11.248 11.522 1.00 0.00 C ATOM 355 NZ LYS A 31 0.739 -11.918 10.228 1.00 0.00 N ATOM 0 H LYS A 31 2.737 -5.425 10.944 1.00 0.00 H new ATOM 0 HA LYS A 31 0.408 -6.371 12.180 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.471 -7.089 9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.640 -8.003 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.273 -8.494 11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.400 -9.110 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.273 -10.155 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.307 -9.746 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.624 -11.938 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.631 -11.000 11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.406 -12.903 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.260 -11.415 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.766 -11.905 10.067 1.00 0.00 H new ATOM 369 N GLU A 32 3.209 -7.228 13.673 1.00 0.00 N ATOM 370 CA GLU A 32 3.765 -7.819 14.891 1.00 0.00 C ATOM 371 C GLU A 32 3.076 -7.261 16.140 1.00 0.00 C ATOM 372 O GLU A 32 2.944 -7.957 17.147 1.00 0.00 O ATOM 373 CB GLU A 32 5.271 -7.555 14.963 1.00 0.00 C ATOM 374 CG GLU A 32 6.058 -8.674 15.624 1.00 0.00 C ATOM 375 CD GLU A 32 7.275 -8.163 16.369 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.102 -7.567 17.454 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.401 -8.354 15.865 1.00 0.00 O ATOM 0 H GLU A 32 3.896 -6.758 13.083 1.00 0.00 H new ATOM 0 HA GLU A 32 3.589 -8.894 14.856 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.652 -7.402 13.953 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.442 -6.629 15.512 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.410 -9.210 16.317 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.374 -9.390 14.865 1.00 0.00 H new ATOM 384 N HIS A 33 2.632 -6.006 16.061 1.00 0.00 N ATOM 385 CA HIS A 33 1.949 -5.356 17.181 1.00 0.00 C ATOM 386 C HIS A 33 0.492 -5.813 17.279 1.00 0.00 C ATOM 387 O HIS A 33 -0.096 -5.803 18.361 1.00 0.00 O ATOM 388 CB HIS A 33 1.991 -3.832 17.029 1.00 0.00 C ATOM 389 CG HIS A 33 3.363 -3.272 16.797 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.179 -3.344 15.717 1.00 0.00 N flip ATOM 391 CD2 HIS A 33 4.041 -2.523 17.736 1.00 0.00 C flip ATOM 392 CE1 HIS A 33 5.320 -2.646 16.023 1.00 0.00 C flip ATOM 393 NE2 HIS A 33 5.212 -2.159 17.245 1.00 0.00 N flip ATOM 0 H HIS A 33 2.733 -5.419 15.233 1.00 0.00 H new ATOM 0 HA HIS A 33 2.472 -5.643 18.093 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.348 -3.544 16.197 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.573 -3.377 17.927 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.672 -2.273 18.720 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.170 -2.516 15.369 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.913 -1.597 17.728 1.00 0.00 H new ATOM 402 N GLY A 34 -0.084 -6.203 16.142 1.00 0.00 N ATOM 403 CA GLY A 34 -1.467 -6.649 16.118 1.00 0.00 C ATOM 404 C GLY A 34 -2.399 -5.644 15.460 1.00 0.00 C ATOM 405 O GLY A 34 -3.592 -5.610 15.764 1.00 0.00 O ATOM 0 H GLY A 34 0.385 -6.218 15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.529 -7.598 15.585 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.802 -6.834 17.139 1.00 0.00 H new ATOM 409 N VAL A 35 -1.859 -4.827 14.553 1.00 0.00 N ATOM 410 CA VAL A 35 -2.655 -3.824 13.850 1.00 0.00 C ATOM 411 C VAL A 35 -2.233 -3.715 12.386 1.00 0.00 C ATOM 412 O VAL A 35 -1.040 -3.635 12.082 1.00 0.00 O ATOM 413 CB VAL A 35 -2.537 -2.429 14.503 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.267 -2.392 15.835 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.077 -2.031 14.674 1.00 0.00 C ATOM 0 H VAL A 35 -0.874 -4.842 14.290 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.691 -4.156 13.913 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.008 -1.705 13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.170 -1.400 16.276 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.322 -2.618 15.678 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.834 -3.132 16.508 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.020 -1.045 15.136 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.573 -2.759 15.310 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.591 -2.003 13.699 1.00 0.00 H new ATOM 425 N PRO A 36 -3.209 -3.701 11.455 1.00 0.00 N ATOM 426 CA PRO A 36 -2.935 -3.592 10.015 1.00 0.00 C ATOM 427 C PRO A 36 -2.220 -2.287 9.661 1.00 0.00 C ATOM 428 O PRO A 36 -2.294 -1.310 10.408 1.00 0.00 O ATOM 429 CB PRO A 36 -4.328 -3.631 9.370 1.00 0.00 C ATOM 430 CG PRO A 36 -5.220 -4.221 10.408 1.00 0.00 C ATOM 431 CD PRO A 36 -4.655 -3.788 11.729 1.00 0.00 C ATOM 0 HA PRO A 36 -2.275 -4.387 9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.659 -2.632 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.326 -4.235 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.245 -3.870 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.244 -5.308 10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.064 -2.830 12.049 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.874 -4.508 12.518 1.00 0.00 H new ATOM 439 N ILE A 37 -1.528 -2.277 8.522 1.00 0.00 N ATOM 440 CA ILE A 37 -0.806 -1.084 8.080 1.00 0.00 C ATOM 441 C ILE A 37 -1.755 -0.117 7.374 1.00 0.00 C ATOM 442 O ILE A 37 -2.522 -0.516 6.495 1.00 0.00 O ATOM 443 CB ILE A 37 0.364 -1.431 7.129 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.203 -2.587 7.688 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.240 -0.207 6.899 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.835 -2.296 9.035 1.00 0.00 C ATOM 0 H ILE A 37 -1.452 -3.076 7.892 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.393 -0.615 8.973 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.058 -1.747 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.571 -3.470 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.990 -2.830 6.974 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.059 -0.467 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.643 0.589 6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.646 0.134 7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.411 -3.162 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.495 -1.433 8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.054 -2.084 9.765 1.00 0.00 H new ATOM 458 N LEU A 38 -1.710 1.153 7.777 1.00 0.00 N ATOM 459 CA LEU A 38 -2.579 2.176 7.196 1.00 0.00 C ATOM 460 C LEU A 38 -1.768 3.324 6.583 1.00 0.00 C ATOM 461 O LEU A 38 -0.623 3.565 6.972 1.00 0.00 O ATOM 462 CB LEU A 38 -3.529 2.720 8.269 1.00 0.00 C ATOM 463 CG LEU A 38 -4.716 1.812 8.617 1.00 0.00 C ATOM 464 CD1 LEU A 38 -4.238 0.526 9.276 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.697 2.540 9.526 1.00 0.00 C ATOM 0 H LEU A 38 -1.082 1.498 8.503 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.156 1.712 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.956 2.905 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.915 3.683 7.934 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.228 1.552 7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.097 -0.102 9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.576 -0.008 8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.699 0.765 10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.532 1.881 9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.192 2.831 10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.070 3.431 9.020 1.00 0.00 H new ATOM 477 N ILE A 39 -2.379 4.035 5.628 1.00 0.00 N ATOM 478 CA ILE A 39 -1.727 5.165 4.962 1.00 0.00 C ATOM 479 C ILE A 39 -1.964 6.463 5.731 1.00 0.00 C ATOM 480 O ILE A 39 -3.110 6.837 5.988 1.00 0.00 O ATOM 481 CB ILE A 39 -2.236 5.360 3.514 1.00 0.00 C ATOM 482 CG1 ILE A 39 -2.317 4.020 2.774 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.335 6.330 2.762 1.00 0.00 C ATOM 484 CD1 ILE A 39 -0.981 3.328 2.618 1.00 0.00 C ATOM 0 H ILE A 39 -3.326 3.846 5.300 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.663 4.931 4.936 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.241 5.780 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.998 3.359 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.747 4.186 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.706 6.457 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.333 7.294 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.320 5.934 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.119 2.387 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.303 3.969 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.557 3.129 3.602 1.00 0.00 H new ATOM 496 N SER A 40 -0.876 7.146 6.088 1.00 0.00 N ATOM 497 CA SER A 40 -0.965 8.407 6.823 1.00 0.00 C ATOM 498 C SER A 40 -0.378 9.569 6.019 1.00 0.00 C ATOM 499 O SER A 40 -0.975 10.646 5.952 1.00 0.00 O ATOM 500 CB SER A 40 -0.244 8.292 8.168 1.00 0.00 C ATOM 501 OG SER A 40 -1.104 7.766 9.165 1.00 0.00 O ATOM 0 H SER A 40 0.077 6.847 5.880 1.00 0.00 H new ATOM 0 HA SER A 40 -2.022 8.612 6.995 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.630 7.650 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.117 9.273 8.476 1.00 0.00 H new ATOM 0 HG SER A 40 -0.619 7.701 10.014 1.00 0.00 H new ATOM 507 N GLU A 41 0.793 9.352 5.414 1.00 0.00 N ATOM 508 CA GLU A 41 1.449 10.394 4.624 1.00 0.00 C ATOM 509 C GLU A 41 1.367 10.090 3.130 1.00 0.00 C ATOM 510 O GLU A 41 1.422 8.929 2.718 1.00 0.00 O ATOM 511 CB GLU A 41 2.915 10.539 5.045 1.00 0.00 C ATOM 512 CG GLU A 41 3.309 11.960 5.423 1.00 0.00 C ATOM 513 CD GLU A 41 3.444 12.150 6.922 1.00 0.00 C ATOM 514 OE1 GLU A 41 2.403 12.218 7.609 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.592 12.226 7.410 1.00 0.00 O ATOM 0 H GLU A 41 1.303 8.469 5.456 1.00 0.00 H new ATOM 0 HA GLU A 41 0.927 11.332 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.106 9.881 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.553 10.200 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.255 12.211 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.562 12.654 5.038 1.00 0.00 H new ATOM 522 N ILE A 42 1.240 11.144 2.325 1.00 0.00 N ATOM 523 CA ILE A 42 1.157 11.003 0.875 1.00 0.00 C ATOM 524 C ILE A 42 2.094 11.993 0.185 1.00 0.00 C ATOM 525 O ILE A 42 1.889 13.207 0.256 1.00 0.00 O ATOM 526 CB ILE A 42 -0.285 11.225 0.358 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.287 10.372 1.146 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.371 10.908 -1.130 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.683 10.955 1.176 1.00 0.00 C ATOM 0 H ILE A 42 1.192 12.108 2.656 1.00 0.00 H new ATOM 0 HA ILE A 42 1.457 9.983 0.636 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.541 12.274 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.327 9.375 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.928 10.256 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.391 11.069 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.307 11.560 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.091 9.868 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.339 10.300 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.656 11.940 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.061 11.045 0.158 1.00 0.00 H new ATOM 541 N HIS A 43 3.123 11.468 -0.480 1.00 0.00 N ATOM 542 CA HIS A 43 4.093 12.306 -1.182 1.00 0.00 C ATOM 543 C HIS A 43 3.473 12.920 -2.437 1.00 0.00 C ATOM 544 O HIS A 43 2.928 12.205 -3.279 1.00 0.00 O ATOM 545 CB HIS A 43 5.335 11.491 -1.561 1.00 0.00 C ATOM 546 CG HIS A 43 6.062 10.912 -0.384 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.988 11.621 0.354 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.994 9.683 0.185 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.458 10.854 1.322 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.870 9.675 1.242 1.00 0.00 N ATOM 0 H HIS A 43 3.306 10.467 -0.547 1.00 0.00 H new ATOM 0 HA HIS A 43 4.390 13.111 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.037 10.681 -2.227 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.019 12.128 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.367 8.863 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.198 11.143 2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.039 8.885 1.865 1.00 0.00 H new ATOM 559 N PRO A 44 3.550 14.258 -2.575 1.00 0.00 N ATOM 560 CA PRO A 44 2.993 14.971 -3.731 1.00 0.00 C ATOM 561 C PRO A 44 3.785 14.721 -5.013 1.00 0.00 C ATOM 562 O PRO A 44 4.978 14.413 -4.969 1.00 0.00 O ATOM 563 CB PRO A 44 3.088 16.443 -3.325 1.00 0.00 C ATOM 564 CG PRO A 44 4.207 16.496 -2.343 1.00 0.00 C ATOM 565 CD PRO A 44 4.184 15.182 -1.613 1.00 0.00 C ATOM 0 HA PRO A 44 1.979 14.641 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.288 17.079 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.156 16.792 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.162 16.645 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.079 17.328 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.189 14.855 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.614 15.249 -0.686 1.00 0.00 H new ATOM 573 N GLY A 45 3.109 14.860 -6.153 1.00 0.00 N ATOM 574 CA GLY A 45 3.755 14.649 -7.440 1.00 0.00 C ATOM 575 C GLY A 45 4.153 13.200 -7.668 1.00 0.00 C ATOM 576 O GLY A 45 5.159 12.923 -8.321 1.00 0.00 O ATOM 0 H GLY A 45 2.123 15.116 -6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.081 14.966 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.642 15.279 -7.504 1.00 0.00 H new ATOM 580 N GLN A 46 3.357 12.277 -7.130 1.00 0.00 N ATOM 581 CA GLN A 46 3.620 10.849 -7.276 1.00 0.00 C ATOM 582 C GLN A 46 2.360 10.123 -7.753 1.00 0.00 C ATOM 583 O GLN A 46 1.297 10.737 -7.869 1.00 0.00 O ATOM 584 CB GLN A 46 4.104 10.270 -5.942 1.00 0.00 C ATOM 585 CG GLN A 46 5.518 9.710 -6.002 1.00 0.00 C ATOM 586 CD GLN A 46 6.474 10.423 -5.062 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.182 9.788 -4.278 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.502 11.750 -5.134 1.00 0.00 N ATOM 0 H GLN A 46 2.522 12.496 -6.587 1.00 0.00 H new ATOM 0 HA GLN A 46 4.400 10.706 -8.023 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.062 11.048 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.422 9.480 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.495 8.649 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.892 9.790 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.900 12.238 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.126 12.281 -4.526 1.00 0.00 H new ATOM 597 N PRO A 47 2.454 8.805 -8.036 1.00 0.00 N ATOM 598 CA PRO A 47 1.308 8.009 -8.499 1.00 0.00 C ATOM 599 C PRO A 47 0.078 8.165 -7.603 1.00 0.00 C ATOM 600 O PRO A 47 -1.054 8.117 -8.085 1.00 0.00 O ATOM 601 CB PRO A 47 1.825 6.571 -8.442 1.00 0.00 C ATOM 602 CG PRO A 47 3.297 6.696 -8.604 1.00 0.00 C ATOM 603 CD PRO A 47 3.679 7.986 -7.929 1.00 0.00 C ATOM 0 HA PRO A 47 0.977 8.322 -9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.569 6.095 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.389 5.961 -9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.813 5.850 -8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.574 6.710 -9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.966 7.826 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.525 8.463 -8.423 1.00 0.00 H new ATOM 611 N ALA A 48 0.310 8.354 -6.300 1.00 0.00 N ATOM 612 CA ALA A 48 -0.781 8.520 -5.340 1.00 0.00 C ATOM 613 C ALA A 48 -1.670 9.705 -5.713 1.00 0.00 C ATOM 614 O ALA A 48 -2.897 9.597 -5.707 1.00 0.00 O ATOM 615 CB ALA A 48 -0.228 8.698 -3.935 1.00 0.00 C ATOM 0 H ALA A 48 1.242 8.395 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.392 7.618 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.052 8.820 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.356 7.820 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.409 9.582 -3.904 1.00 0.00 H new ATOM 621 N ASP A 49 -1.043 10.833 -6.045 1.00 0.00 N ATOM 622 CA ASP A 49 -1.777 12.035 -6.433 1.00 0.00 C ATOM 623 C ASP A 49 -2.418 11.860 -7.809 1.00 0.00 C ATOM 624 O ASP A 49 -3.538 12.314 -8.043 1.00 0.00 O ATOM 625 CB ASP A 49 -0.845 13.252 -6.444 1.00 0.00 C ATOM 626 CG ASP A 49 -0.786 13.951 -5.099 1.00 0.00 C ATOM 627 OD1 ASP A 49 -0.011 13.499 -4.229 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.509 14.953 -4.918 1.00 0.00 O ATOM 0 H ASP A 49 -0.029 10.939 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.566 12.199 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.158 12.935 -6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.184 13.958 -7.202 1.00 0.00 H new ATOM 633 N ARG A 50 -1.696 11.204 -8.718 1.00 0.00 N ATOM 634 CA ARG A 50 -2.188 10.974 -10.075 1.00 0.00 C ATOM 635 C ARG A 50 -3.467 10.131 -10.081 1.00 0.00 C ATOM 636 O ARG A 50 -4.335 10.329 -10.931 1.00 0.00 O ATOM 637 CB ARG A 50 -1.111 10.295 -10.925 1.00 0.00 C ATOM 638 CG ARG A 50 -0.247 11.273 -11.707 1.00 0.00 C ATOM 639 CD ARG A 50 0.841 10.556 -12.491 1.00 0.00 C ATOM 640 NE ARG A 50 0.990 11.099 -13.842 1.00 0.00 N ATOM 641 CZ ARG A 50 0.186 10.792 -14.866 1.00 0.00 C ATOM 642 NH1 ARG A 50 -0.837 9.956 -14.697 1.00 0.00 N ATOM 643 NH2 ARG A 50 0.404 11.328 -16.063 1.00 0.00 N ATOM 0 H ARG A 50 -0.767 10.822 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.427 11.947 -10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.472 9.696 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.590 9.608 -11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.873 11.845 -12.392 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.209 11.986 -11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.788 10.642 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.605 9.494 -12.551 1.00 0.00 H new ATOM 0 HE ARG A 50 1.754 11.752 -14.013 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.013 9.544 -13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.445 9.728 -15.484 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.183 11.972 -16.199 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.208 11.095 -16.845 1.00 0.00 H new ATOM 657 N CYS A 51 -3.584 9.191 -9.137 1.00 0.00 N ATOM 658 CA CYS A 51 -4.768 8.335 -9.063 1.00 0.00 C ATOM 659 C CYS A 51 -5.848 8.944 -8.167 1.00 0.00 C ATOM 660 O CYS A 51 -7.036 8.675 -8.353 1.00 0.00 O ATOM 661 CB CYS A 51 -4.395 6.936 -8.560 1.00 0.00 C ATOM 662 SG CYS A 51 -3.652 6.905 -6.912 1.00 0.00 S ATOM 0 H CYS A 51 -2.881 9.006 -8.422 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.173 8.253 -10.072 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.291 6.316 -8.552 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.700 6.483 -9.267 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.560 8.118 -6.455 1.00 0.00 H new ATOM 668 N GLY A 52 -5.433 9.758 -7.194 1.00 0.00 N ATOM 669 CA GLY A 52 -6.382 10.385 -6.285 1.00 0.00 C ATOM 670 C GLY A 52 -7.092 9.386 -5.379 1.00 0.00 C ATOM 671 O GLY A 52 -8.116 9.710 -4.775 1.00 0.00 O ATOM 0 H GLY A 52 -4.456 9.994 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.858 11.116 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.125 10.932 -6.866 1.00 0.00 H new ATOM 675 N GLY A 53 -6.545 8.171 -5.285 1.00 0.00 N ATOM 676 CA GLY A 53 -7.135 7.137 -4.450 1.00 0.00 C ATOM 677 C GLY A 53 -6.379 6.931 -3.149 1.00 0.00 C ATOM 678 O GLY A 53 -6.967 6.532 -2.143 1.00 0.00 O ATOM 0 H GLY A 53 -5.698 7.886 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.168 7.402 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.159 6.198 -5.004 1.00 0.00 H new ATOM 682 N LEU A 54 -5.070 7.204 -3.166 1.00 0.00 N ATOM 683 CA LEU A 54 -4.242 7.046 -1.971 1.00 0.00 C ATOM 684 C LEU A 54 -4.466 8.212 -1.006 1.00 0.00 C ATOM 685 O LEU A 54 -3.608 9.080 -0.843 1.00 0.00 O ATOM 686 CB LEU A 54 -2.762 6.933 -2.354 1.00 0.00 C ATOM 687 CG LEU A 54 -2.240 5.500 -2.493 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.029 5.457 -3.414 1.00 0.00 C ATOM 689 CD2 LEU A 54 -1.898 4.921 -1.126 1.00 0.00 C ATOM 0 H LEU A 54 -4.566 7.533 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.534 6.125 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.605 7.455 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.166 7.450 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.026 4.889 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.673 4.430 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.309 5.828 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.237 6.082 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.529 3.902 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.130 5.533 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.791 4.913 -0.501 1.00 0.00 H new ATOM 701 N HIS A 55 -5.642 8.216 -0.379 1.00 0.00 N ATOM 702 CA HIS A 55 -6.027 9.260 0.571 1.00 0.00 C ATOM 703 C HIS A 55 -5.525 8.942 1.977 1.00 0.00 C ATOM 704 O HIS A 55 -5.280 7.781 2.308 1.00 0.00 O ATOM 705 CB HIS A 55 -7.557 9.412 0.591 1.00 0.00 C ATOM 706 CG HIS A 55 -8.287 8.127 0.878 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.143 7.422 2.058 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.158 7.412 0.124 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.889 6.334 2.014 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.514 6.303 0.853 1.00 0.00 N ATOM 0 H HIS A 55 -6.353 7.498 -0.515 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.569 10.195 0.248 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.830 10.151 1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.888 9.801 -0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.507 7.667 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.973 5.594 2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.158 5.574 0.546 1.00 0.00 H new ATOM 719 N VAL A 56 -5.392 9.978 2.809 1.00 0.00 N ATOM 720 CA VAL A 56 -4.940 9.791 4.187 1.00 0.00 C ATOM 721 C VAL A 56 -5.984 9.007 4.979 1.00 0.00 C ATOM 722 O VAL A 56 -7.185 9.249 4.844 1.00 0.00 O ATOM 723 CB VAL A 56 -4.669 11.131 4.909 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.049 10.885 6.279 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.773 12.032 4.072 1.00 0.00 C ATOM 0 H VAL A 56 -5.589 10.946 2.554 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.002 9.239 4.137 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.624 11.638 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.865 11.840 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.731 10.289 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.106 10.350 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.599 12.967 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.820 11.533 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.257 12.242 3.118 1.00 0.00 H new ATOM 735 N GLY A 57 -5.522 8.065 5.797 1.00 0.00 N ATOM 736 CA GLY A 57 -6.432 7.257 6.590 1.00 0.00 C ATOM 737 C GLY A 57 -6.941 6.041 5.834 1.00 0.00 C ATOM 738 O GLY A 57 -8.097 5.644 5.992 1.00 0.00 O ATOM 0 H GLY A 57 -4.534 7.847 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.925 6.930 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.279 7.869 6.900 1.00 0.00 H new ATOM 742 N ASP A 58 -6.072 5.445 5.017 1.00 0.00 N ATOM 743 CA ASP A 58 -6.429 4.261 4.238 1.00 0.00 C ATOM 744 C ASP A 58 -5.892 3.002 4.918 1.00 0.00 C ATOM 745 O ASP A 58 -4.865 3.053 5.595 1.00 0.00 O ATOM 746 CB ASP A 58 -5.874 4.371 2.811 1.00 0.00 C ATOM 747 CG ASP A 58 -6.883 3.970 1.746 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.749 3.115 2.033 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.805 4.512 0.623 1.00 0.00 O ATOM 0 H ASP A 58 -5.113 5.765 4.878 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.516 4.195 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.553 5.397 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.990 3.740 2.722 1.00 0.00 H new ATOM 754 N ALA A 59 -6.585 1.879 4.740 1.00 0.00 N ATOM 755 CA ALA A 59 -6.165 0.617 5.350 1.00 0.00 C ATOM 756 C ALA A 59 -5.903 -0.452 4.294 1.00 0.00 C ATOM 757 O ALA A 59 -6.794 -0.800 3.520 1.00 0.00 O ATOM 758 CB ALA A 59 -7.212 0.137 6.345 1.00 0.00 C ATOM 0 H ALA A 59 -7.436 1.816 4.181 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.230 0.796 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.886 -0.803 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.340 0.885 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.160 -0.015 5.830 1.00 0.00 H new ATOM 764 N ILE A 60 -4.674 -0.970 4.272 1.00 0.00 N ATOM 765 CA ILE A 60 -4.290 -2.003 3.309 1.00 0.00 C ATOM 766 C ILE A 60 -4.735 -3.390 3.768 1.00 0.00 C ATOM 767 O ILE A 60 -4.777 -3.678 4.966 1.00 0.00 O ATOM 768 CB ILE A 60 -2.762 -2.035 3.075 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.215 -0.626 2.823 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.429 -2.953 1.908 1.00 0.00 C ATOM 771 CD1 ILE A 60 -1.124 -0.222 3.791 1.00 0.00 C ATOM 0 H ILE A 60 -3.928 -0.691 4.910 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.792 -1.745 2.376 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.286 -2.424 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.826 -0.572 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.033 0.091 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.350 -2.967 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.777 -3.962 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.920 -2.588 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.783 0.786 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.514 -0.244 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.288 -0.917 3.708 1.00 0.00 H new ATOM 783 N LEU A 61 -5.053 -4.249 2.799 1.00 0.00 N ATOM 784 CA LEU A 61 -5.481 -5.615 3.086 1.00 0.00 C ATOM 785 C LEU A 61 -4.715 -6.623 2.223 1.00 0.00 C ATOM 786 O LEU A 61 -4.152 -7.588 2.744 1.00 0.00 O ATOM 787 CB LEU A 61 -6.989 -5.761 2.859 1.00 0.00 C ATOM 788 CG LEU A 61 -7.870 -5.208 3.985 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.319 -5.108 3.532 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.758 -6.079 5.230 1.00 0.00 C ATOM 0 H LEU A 61 -5.021 -4.020 1.806 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.261 -5.825 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.252 -5.255 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.220 -6.817 2.723 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.519 -4.207 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.928 -4.713 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.386 -4.442 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.682 -6.097 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.390 -5.670 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.081 -7.093 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.722 -6.098 5.569 1.00 0.00 H new ATOM 802 N ALA A 62 -4.695 -6.395 0.904 1.00 0.00 N ATOM 803 CA ALA A 62 -3.993 -7.290 -0.017 1.00 0.00 C ATOM 804 C ALA A 62 -3.177 -6.513 -1.051 1.00 0.00 C ATOM 805 O ALA A 62 -3.577 -5.432 -1.492 1.00 0.00 O ATOM 806 CB ALA A 62 -4.983 -8.217 -0.711 1.00 0.00 C ATOM 0 H ALA A 62 -5.155 -5.603 0.455 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.296 -7.888 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.447 -8.877 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.507 -8.814 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.705 -7.624 -1.273 1.00 0.00 H new ATOM 812 N VAL A 63 -2.033 -7.081 -1.435 1.00 0.00 N ATOM 813 CA VAL A 63 -1.148 -6.466 -2.422 1.00 0.00 C ATOM 814 C VAL A 63 -0.822 -7.459 -3.531 1.00 0.00 C ATOM 815 O VAL A 63 -0.197 -8.493 -3.284 1.00 0.00 O ATOM 816 CB VAL A 63 0.169 -5.978 -1.782 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.988 -5.172 -2.783 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.114 -5.161 -0.529 1.00 0.00 C ATOM 0 H VAL A 63 -1.697 -7.973 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.674 -5.605 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 63 0.754 -6.851 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.912 -4.838 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.225 -5.796 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.413 -4.305 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.827 -4.826 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.722 -4.294 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.650 -5.777 0.193 1.00 0.00 H new ATOM 828 N ASN A 64 -1.260 -7.146 -4.752 1.00 0.00 N ATOM 829 CA ASN A 64 -1.030 -8.016 -5.906 1.00 0.00 C ATOM 830 C ASN A 64 -1.609 -9.413 -5.654 1.00 0.00 C ATOM 831 O ASN A 64 -1.055 -10.418 -6.106 1.00 0.00 O ATOM 832 CB ASN A 64 0.470 -8.106 -6.226 1.00 0.00 C ATOM 833 CG ASN A 64 0.734 -8.288 -7.712 1.00 0.00 C ATOM 834 OD1 ASN A 64 1.345 -7.286 -8.340 1.00 0.00 O flip ATOM 835 ND2 ASN A 64 0.395 -9.320 -8.291 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.777 -6.294 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.540 -7.582 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.968 -7.201 -5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.907 -8.940 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.071 -10.065 -7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.580 -9.430 -9.288 1.00 0.00 H new ATOM 842 N GLY A 65 -2.729 -9.469 -4.925 1.00 0.00 N ATOM 843 CA GLY A 65 -3.363 -10.744 -4.624 1.00 0.00 C ATOM 844 C GLY A 65 -2.867 -11.385 -3.331 1.00 0.00 C ATOM 845 O GLY A 65 -3.537 -12.257 -2.775 1.00 0.00 O ATOM 0 H GLY A 65 -3.205 -8.654 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.441 -10.597 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.187 -11.432 -5.451 1.00 0.00 H new ATOM 849 N VAL A 66 -1.696 -10.959 -2.846 1.00 0.00 N ATOM 850 CA VAL A 66 -1.129 -11.509 -1.615 1.00 0.00 C ATOM 851 C VAL A 66 -1.632 -10.746 -0.389 1.00 0.00 C ATOM 852 O VAL A 66 -1.712 -9.517 -0.403 1.00 0.00 O ATOM 853 CB VAL A 66 0.415 -11.482 -1.643 1.00 0.00 C ATOM 854 CG1 VAL A 66 0.989 -12.245 -0.457 1.00 0.00 C ATOM 855 CG2 VAL A 66 0.934 -12.058 -2.954 1.00 0.00 C ATOM 0 H VAL A 66 -1.126 -10.237 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.458 -12.546 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 66 0.741 -10.445 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.078 -12.213 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.646 -11.787 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.655 -13.282 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.024 -12.031 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.596 -13.089 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.554 -11.466 -3.787 1.00 0.00 H new ATOM 865 N ASN A 67 -1.975 -11.488 0.666 1.00 0.00 N ATOM 866 CA ASN A 67 -2.482 -10.889 1.902 1.00 0.00 C ATOM 867 C ASN A 67 -1.375 -10.156 2.657 1.00 0.00 C ATOM 868 O ASN A 67 -0.283 -10.692 2.849 1.00 0.00 O ATOM 869 CB ASN A 67 -3.101 -11.963 2.805 1.00 0.00 C ATOM 870 CG ASN A 67 -4.566 -12.222 2.496 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.943 -12.423 1.341 1.00 0.00 O ATOM 872 ND2 ASN A 67 -5.403 -12.223 3.531 1.00 0.00 N ATOM 0 H ASN A 67 -1.911 -12.506 0.689 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.249 -10.165 1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.541 -12.892 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.003 -11.656 3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.397 -12.395 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.050 -12.052 4.473 1.00 0.00 H new ATOM 879 N LEU A 68 -1.670 -8.930 3.093 1.00 0.00 N ATOM 880 CA LEU A 68 -0.702 -8.126 3.840 1.00 0.00 C ATOM 881 C LEU A 68 -0.821 -8.375 5.346 1.00 0.00 C ATOM 882 O LEU A 68 0.164 -8.262 6.076 1.00 0.00 O ATOM 883 CB LEU A 68 -0.888 -6.635 3.542 1.00 0.00 C ATOM 884 CG LEU A 68 0.370 -5.779 3.733 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.337 -5.976 2.572 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.000 -4.309 3.881 1.00 0.00 C ATOM 0 H LEU A 68 -2.569 -8.473 2.942 1.00 0.00 H new ATOM 0 HA LEU A 68 0.294 -8.428 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.233 -6.525 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.676 -6.246 4.186 1.00 0.00 H new ATOM 0 HG LEU A 68 0.867 -6.101 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.223 -5.360 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.630 -7.024 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.851 -5.685 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.906 -3.718 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.523 -3.973 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.648 -4.182 4.748 1.00 0.00 H new ATOM 898 N ARG A 69 -2.028 -8.718 5.806 1.00 0.00 N ATOM 899 CA ARG A 69 -2.258 -8.987 7.227 1.00 0.00 C ATOM 900 C ARG A 69 -1.528 -10.255 7.681 1.00 0.00 C ATOM 901 O ARG A 69 -1.315 -10.457 8.878 1.00 0.00 O ATOM 902 CB ARG A 69 -3.757 -9.118 7.520 1.00 0.00 C ATOM 903 CG ARG A 69 -4.226 -8.274 8.698 1.00 0.00 C ATOM 904 CD ARG A 69 -4.316 -9.091 9.981 1.00 0.00 C ATOM 905 NE ARG A 69 -5.476 -9.986 9.987 1.00 0.00 N ATOM 906 CZ ARG A 69 -5.429 -11.288 9.677 1.00 0.00 C ATOM 907 NH1 ARG A 69 -4.275 -11.871 9.351 1.00 0.00 N ATOM 908 NH2 ARG A 69 -6.543 -12.013 9.699 1.00 0.00 N ATOM 0 H ARG A 69 -2.856 -8.815 5.218 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.859 -8.141 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.319 -8.830 6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.989 -10.164 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.538 -7.441 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.202 -7.845 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.406 -9.678 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.375 -8.417 10.836 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.380 -9.591 10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.414 -11.324 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.253 -12.864 9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.430 -11.577 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.511 -13.005 9.463 1.00 0.00 H new ATOM 922 N ASP A 70 -1.150 -11.110 6.728 1.00 0.00 N ATOM 923 CA ASP A 70 -0.448 -12.352 7.045 1.00 0.00 C ATOM 924 C ASP A 70 1.079 -12.173 7.005 1.00 0.00 C ATOM 925 O ASP A 70 1.825 -13.150 7.092 1.00 0.00 O ATOM 926 CB ASP A 70 -0.882 -13.459 6.079 1.00 0.00 C ATOM 927 CG ASP A 70 -2.345 -13.829 6.247 1.00 0.00 C ATOM 928 OD1 ASP A 70 -3.211 -13.045 5.804 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.626 -14.900 6.824 1.00 0.00 O ATOM 0 H ASP A 70 -1.319 -10.964 5.733 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.715 -12.636 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.707 -13.133 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.265 -14.343 6.242 1.00 0.00 H new ATOM 934 N THR A 71 1.540 -10.921 6.887 1.00 0.00 N ATOM 935 CA THR A 71 2.972 -10.624 6.850 1.00 0.00 C ATOM 936 C THR A 71 3.308 -9.452 7.780 1.00 0.00 C ATOM 937 O THR A 71 2.414 -8.733 8.230 1.00 0.00 O ATOM 938 CB THR A 71 3.417 -10.321 5.412 1.00 0.00 C ATOM 939 OG1 THR A 71 4.792 -9.983 5.371 1.00 0.00 O ATOM 940 CG2 THR A 71 2.647 -9.188 4.762 1.00 0.00 C ATOM 0 H THR A 71 0.939 -10.100 6.816 1.00 0.00 H new ATOM 0 HA THR A 71 3.515 -11.501 7.202 1.00 0.00 H new ATOM 0 HB THR A 71 3.216 -11.237 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.019 -9.642 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.016 -9.032 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.587 -9.441 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.783 -8.276 5.343 1.00 0.00 H new ATOM 948 N LYS A 72 4.600 -9.269 8.067 1.00 0.00 N ATOM 949 CA LYS A 72 5.057 -8.189 8.946 1.00 0.00 C ATOM 950 C LYS A 72 5.334 -6.914 8.151 1.00 0.00 C ATOM 951 O LYS A 72 5.513 -6.965 6.935 1.00 0.00 O ATOM 952 CB LYS A 72 6.323 -8.618 9.696 1.00 0.00 C ATOM 953 CG LYS A 72 6.054 -9.383 10.988 1.00 0.00 C ATOM 954 CD LYS A 72 5.208 -10.629 10.750 1.00 0.00 C ATOM 955 CE LYS A 72 5.961 -11.681 9.946 1.00 0.00 C ATOM 956 NZ LYS A 72 6.541 -12.742 10.817 1.00 0.00 N ATOM 0 H LYS A 72 5.350 -9.857 7.702 1.00 0.00 H new ATOM 0 HA LYS A 72 4.264 -7.981 9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.929 -9.241 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.913 -7.731 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.002 -9.670 11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.545 -8.730 11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.906 -11.052 11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.295 -10.353 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.285 -12.136 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.759 -11.201 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.044 -13.437 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.206 -12.312 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.778 -13.218 11.339 1.00 0.00 H new ATOM 970 N HIS A 73 5.373 -5.771 8.844 1.00 0.00 N ATOM 971 CA HIS A 73 5.634 -4.482 8.192 1.00 0.00 C ATOM 972 C HIS A 73 6.948 -4.514 7.411 1.00 0.00 C ATOM 973 O HIS A 73 6.982 -4.159 6.233 1.00 0.00 O ATOM 974 CB HIS A 73 5.671 -3.348 9.226 1.00 0.00 C ATOM 975 CG HIS A 73 5.837 -1.981 8.628 1.00 0.00 C ATOM 976 ND1 HIS A 73 4.952 -1.176 7.991 1.00 0.00 N flip ATOM 977 CD2 HIS A 73 7.029 -1.286 8.656 1.00 0.00 C flip ATOM 978 CE1 HIS A 73 5.618 -0.023 7.653 1.00 0.00 C flip ATOM 979 NE2 HIS A 73 6.868 -0.115 8.066 1.00 0.00 N flip ATOM 0 H HIS A 73 5.228 -5.711 9.852 1.00 0.00 H new ATOM 0 HA HIS A 73 4.820 -4.297 7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.749 -3.370 9.807 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.490 -3.531 9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.950 -1.644 9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.189 0.821 7.134 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.588 0.598 7.949 1.00 0.00 H new ATOM 988 N LYS A 74 8.025 -4.943 8.073 1.00 0.00 N ATOM 989 CA LYS A 74 9.339 -5.021 7.432 1.00 0.00 C ATOM 990 C LYS A 74 9.312 -5.989 6.250 1.00 0.00 C ATOM 991 O LYS A 74 9.858 -5.696 5.187 1.00 0.00 O ATOM 992 CB LYS A 74 10.410 -5.454 8.438 1.00 0.00 C ATOM 993 CG LYS A 74 10.622 -4.465 9.575 1.00 0.00 C ATOM 994 CD LYS A 74 12.067 -4.462 10.051 1.00 0.00 C ATOM 995 CE LYS A 74 12.224 -3.697 11.358 1.00 0.00 C ATOM 996 NZ LYS A 74 13.244 -2.615 11.256 1.00 0.00 N ATOM 0 H LYS A 74 8.013 -5.240 9.049 1.00 0.00 H new ATOM 0 HA LYS A 74 9.588 -4.026 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.131 -6.421 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.354 -5.595 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.345 -3.464 9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.965 -4.719 10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.409 -5.488 10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.702 -4.013 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.265 -3.264 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.508 -4.389 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.318 -2.121 12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.166 -3.029 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.961 -1.939 10.518 1.00 0.00 H new ATOM 1010 N GLU A 75 8.664 -7.139 6.442 1.00 0.00 N ATOM 1011 CA GLU A 75 8.556 -8.145 5.387 1.00 0.00 C ATOM 1012 C GLU A 75 7.715 -7.625 4.221 1.00 0.00 C ATOM 1013 O GLU A 75 8.019 -7.896 3.058 1.00 0.00 O ATOM 1014 CB GLU A 75 7.938 -9.433 5.938 1.00 0.00 C ATOM 1015 CG GLU A 75 8.730 -10.685 5.594 1.00 0.00 C ATOM 1016 CD GLU A 75 8.798 -11.670 6.746 1.00 0.00 C ATOM 1017 OE1 GLU A 75 9.288 -11.287 7.829 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.358 -12.824 6.564 1.00 0.00 O ATOM 0 H GLU A 75 8.207 -7.396 7.317 1.00 0.00 H new ATOM 0 HA GLU A 75 9.561 -8.359 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.856 -9.352 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.925 -9.536 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.275 -11.172 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.742 -10.402 5.303 1.00 0.00 H new ATOM 1025 N ALA A 76 6.656 -6.880 4.543 1.00 0.00 N ATOM 1026 CA ALA A 76 5.767 -6.321 3.528 1.00 0.00 C ATOM 1027 C ALA A 76 6.495 -5.321 2.634 1.00 0.00 C ATOM 1028 O ALA A 76 6.162 -5.180 1.456 1.00 0.00 O ATOM 1029 CB ALA A 76 4.562 -5.661 4.181 1.00 0.00 C ATOM 0 H ALA A 76 6.394 -6.650 5.502 1.00 0.00 H new ATOM 0 HA ALA A 76 5.425 -7.144 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.910 -5.250 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.013 -6.401 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.898 -4.859 4.838 1.00 0.00 H new ATOM 1035 N VAL A 77 7.494 -4.633 3.191 1.00 0.00 N ATOM 1036 CA VAL A 77 8.267 -3.656 2.427 1.00 0.00 C ATOM 1037 C VAL A 77 8.985 -4.339 1.267 1.00 0.00 C ATOM 1038 O VAL A 77 8.970 -3.846 0.138 1.00 0.00 O ATOM 1039 CB VAL A 77 9.305 -2.923 3.307 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.962 -1.790 2.531 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.658 -2.398 4.582 1.00 0.00 C ATOM 0 H VAL A 77 7.784 -4.735 4.163 1.00 0.00 H new ATOM 0 HA VAL A 77 7.562 -2.918 2.045 1.00 0.00 H new ATOM 0 HB VAL A 77 10.078 -3.638 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.689 -1.287 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.467 -2.195 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.201 -1.076 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.407 -1.886 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.861 -1.701 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.243 -3.231 5.149 1.00 0.00 H new ATOM 1051 N THR A 78 9.601 -5.485 1.552 1.00 0.00 N ATOM 1052 CA THR A 78 10.312 -6.247 0.532 1.00 0.00 C ATOM 1053 C THR A 78 9.346 -6.730 -0.549 1.00 0.00 C ATOM 1054 O THR A 78 9.671 -6.702 -1.738 1.00 0.00 O ATOM 1055 CB THR A 78 11.038 -7.444 1.156 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.316 -7.209 2.527 1.00 0.00 O ATOM 1057 CG2 THR A 78 12.349 -7.769 0.472 1.00 0.00 C ATOM 0 H THR A 78 9.621 -5.905 2.481 1.00 0.00 H new ATOM 0 HA THR A 78 11.052 -5.589 0.075 1.00 0.00 H new ATOM 0 HB THR A 78 10.360 -8.288 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.778 -7.986 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.812 -8.626 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.164 -8.006 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.016 -6.909 0.537 1.00 0.00 H new ATOM 1065 N ILE A 79 8.155 -7.164 -0.129 1.00 0.00 N ATOM 1066 CA ILE A 79 7.139 -7.645 -1.065 1.00 0.00 C ATOM 1067 C ILE A 79 6.731 -6.542 -2.040 1.00 0.00 C ATOM 1068 O ILE A 79 6.570 -6.791 -3.236 1.00 0.00 O ATOM 1069 CB ILE A 79 5.878 -8.168 -0.336 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.249 -9.243 0.693 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.877 -8.719 -1.343 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.191 -9.454 1.756 1.00 0.00 C ATOM 0 H ILE A 79 7.872 -7.192 0.851 1.00 0.00 H new ATOM 0 HA ILE A 79 7.589 -8.473 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 79 5.418 -7.334 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.424 -10.186 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.186 -8.965 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.995 -9.084 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.586 -7.930 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.333 -9.539 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.521 -10.228 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.032 -8.523 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.258 -9.763 1.285 1.00 0.00 H new ATOM 1084 N LEU A 80 6.572 -5.321 -1.525 1.00 0.00 N ATOM 1085 CA LEU A 80 6.191 -4.181 -2.358 1.00 0.00 C ATOM 1086 C LEU A 80 7.250 -3.912 -3.426 1.00 0.00 C ATOM 1087 O LEU A 80 6.919 -3.593 -4.568 1.00 0.00 O ATOM 1088 CB LEU A 80 5.985 -2.927 -1.505 1.00 0.00 C ATOM 1089 CG LEU A 80 4.812 -2.990 -0.524 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.664 -1.666 0.213 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.525 -3.347 -1.256 1.00 0.00 C ATOM 0 H LEU A 80 6.701 -5.098 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 80 5.250 -4.429 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.899 -2.736 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.837 -2.076 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 80 5.015 -3.769 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.825 -1.727 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.578 -1.454 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.482 -0.868 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.701 -3.388 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.315 -2.590 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.637 -4.319 -1.737 1.00 0.00 H new ATOM 1103 N SER A 81 8.523 -4.051 -3.049 1.00 0.00 N ATOM 1104 CA SER A 81 9.626 -3.832 -3.983 1.00 0.00 C ATOM 1105 C SER A 81 9.596 -4.861 -5.113 1.00 0.00 C ATOM 1106 O SER A 81 9.981 -4.557 -6.244 1.00 0.00 O ATOM 1107 CB SER A 81 10.973 -3.893 -3.258 1.00 0.00 C ATOM 1108 OG SER A 81 11.362 -2.609 -2.801 1.00 0.00 O ATOM 0 H SER A 81 8.813 -4.313 -2.107 1.00 0.00 H new ATOM 0 HA SER A 81 9.504 -2.838 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.905 -4.578 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.734 -4.290 -3.930 1.00 0.00 H new ATOM 0 HG SER A 81 12.224 -2.673 -2.340 1.00 0.00 H new ATOM 1114 N GLN A 82 9.134 -6.076 -4.803 1.00 0.00 N ATOM 1115 CA GLN A 82 9.048 -7.147 -5.799 1.00 0.00 C ATOM 1116 C GLN A 82 8.036 -6.804 -6.897 1.00 0.00 C ATOM 1117 O GLN A 82 8.180 -7.249 -8.037 1.00 0.00 O ATOM 1118 CB GLN A 82 8.663 -8.476 -5.138 1.00 0.00 C ATOM 1119 CG GLN A 82 9.521 -8.843 -3.935 1.00 0.00 C ATOM 1120 CD GLN A 82 9.771 -10.338 -3.823 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.053 -11.146 -4.412 1.00 0.00 O ATOM 1122 NE2 GLN A 82 10.793 -10.717 -3.061 1.00 0.00 N ATOM 0 H GLN A 82 8.814 -6.342 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 82 10.033 -7.249 -6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.620 -8.425 -4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.735 -9.272 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.477 -8.324 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.033 -8.492 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.365 -10.016 -2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.005 -11.708 -2.948 1.00 0.00 H new ATOM 1131 N GLN A 83 7.015 -6.017 -6.547 1.00 0.00 N ATOM 1132 CA GLN A 83 5.985 -5.622 -7.509 1.00 0.00 C ATOM 1133 C GLN A 83 6.578 -4.739 -8.608 1.00 0.00 C ATOM 1134 O GLN A 83 6.897 -3.571 -8.375 1.00 0.00 O ATOM 1135 CB GLN A 83 4.834 -4.885 -6.807 1.00 0.00 C ATOM 1136 CG GLN A 83 4.350 -5.549 -5.522 1.00 0.00 C ATOM 1137 CD GLN A 83 4.024 -7.023 -5.694 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.758 -7.489 -6.801 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.042 -7.767 -4.593 1.00 0.00 N ATOM 0 H GLN A 83 6.880 -5.642 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 83 5.590 -6.530 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.156 -3.869 -6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.995 -4.805 -7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.116 -5.440 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.463 -5.027 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.268 -7.342 -3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.830 -8.763 -4.647 1.00 0.00 H new ATOM 1148 N ARG A 84 6.730 -5.313 -9.802 1.00 0.00 N ATOM 1149 CA ARG A 84 7.295 -4.594 -10.942 1.00 0.00 C ATOM 1150 C ARG A 84 6.223 -4.281 -11.985 1.00 0.00 C ATOM 1151 O ARG A 84 5.267 -5.040 -12.153 1.00 0.00 O ATOM 1152 CB ARG A 84 8.412 -5.424 -11.579 1.00 0.00 C ATOM 1153 CG ARG A 84 9.696 -4.644 -11.826 1.00 0.00 C ATOM 1154 CD ARG A 84 10.902 -5.343 -11.214 1.00 0.00 C ATOM 1155 NE ARG A 84 11.329 -4.713 -9.963 1.00 0.00 N ATOM 1156 CZ ARG A 84 12.099 -5.310 -9.049 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.533 -6.554 -9.238 1.00 0.00 N ATOM 1158 NH2 ARG A 84 12.439 -4.660 -7.941 1.00 0.00 N ATOM 0 H ARG A 84 6.468 -6.278 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 84 7.703 -3.650 -10.579 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.633 -6.274 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.056 -5.828 -12.527 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.849 -4.525 -12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.602 -3.643 -11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.658 -6.389 -11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.727 -5.330 -11.926 1.00 0.00 H new ATOM 0 HE ARG A 84 11.019 -3.759 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.278 -7.060 -10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.121 -7.002 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.112 -3.706 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.027 -5.115 -7.243 1.00 0.00 H new ATOM 1172 N GLY A 85 6.397 -3.160 -12.688 1.00 0.00 N ATOM 1173 CA GLY A 85 5.446 -2.763 -13.714 1.00 0.00 C ATOM 1174 C GLY A 85 4.070 -2.465 -13.150 1.00 0.00 C ATOM 1175 O GLY A 85 3.841 -1.390 -12.590 1.00 0.00 O ATOM 0 H GLY A 85 7.182 -2.520 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.822 -1.880 -14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.366 -3.557 -14.457 1.00 0.00 H new ATOM 1179 N GLU A 86 3.156 -3.425 -13.292 1.00 0.00 N ATOM 1180 CA GLU A 86 1.795 -3.272 -12.788 1.00 0.00 C ATOM 1181 C GLU A 86 1.707 -3.744 -11.341 1.00 0.00 C ATOM 1182 O GLU A 86 2.134 -4.853 -11.015 1.00 0.00 O ATOM 1183 CB GLU A 86 0.810 -4.061 -13.655 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.626 -3.567 -13.549 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.444 -3.869 -14.791 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.623 -5.064 -15.111 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -1.906 -2.910 -15.443 1.00 0.00 O ATOM 0 H GLU A 86 3.336 -4.317 -13.753 1.00 0.00 H new ATOM 0 HA GLU A 86 1.532 -2.215 -12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.129 -4.005 -14.696 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.846 -5.112 -13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.102 -4.030 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.624 -2.491 -13.374 1.00 0.00 H new ATOM 1194 N ILE A 87 1.159 -2.895 -10.477 1.00 0.00 N ATOM 1195 CA ILE A 87 1.023 -3.228 -9.063 1.00 0.00 C ATOM 1196 C ILE A 87 -0.406 -2.998 -8.578 1.00 0.00 C ATOM 1197 O ILE A 87 -0.935 -1.889 -8.676 1.00 0.00 O ATOM 1198 CB ILE A 87 1.997 -2.400 -8.195 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.399 -2.394 -8.816 1.00 0.00 C ATOM 1200 CG2 ILE A 87 2.041 -2.949 -6.774 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.401 -1.559 -8.048 1.00 0.00 C ATOM 0 H ILE A 87 0.803 -1.973 -10.730 1.00 0.00 H new ATOM 0 HA ILE A 87 1.269 -4.285 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 87 1.637 -1.372 -8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.764 -3.419 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.333 -2.018 -9.837 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.732 -2.355 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.045 -2.900 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.378 -3.985 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.369 -1.603 -8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.059 -0.525 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.497 -1.947 -7.034 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.022 -4.055 -8.049 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.388 -3.975 -7.541 1.00 0.00 C ATOM 1215 C GLU A 88 -2.393 -3.766 -6.029 1.00 0.00 C ATOM 1216 O GLU A 88 -1.607 -4.382 -5.306 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.163 -5.247 -7.891 1.00 0.00 C ATOM 1218 CG GLU A 88 -3.658 -5.287 -9.329 1.00 0.00 C ATOM 1219 CD GLU A 88 -4.767 -6.302 -9.534 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.463 -7.513 -9.577 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -5.938 -5.884 -9.651 1.00 0.00 O ATOM 0 H GLU A 88 -0.595 -4.977 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.874 -3.121 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.524 -6.112 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.017 -5.338 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.018 -4.298 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.825 -5.526 -9.990 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.284 -2.895 -5.558 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.396 -2.603 -4.133 1.00 0.00 C ATOM 1230 C PHE A 89 -4.853 -2.625 -3.681 1.00 0.00 C ATOM 1231 O PHE A 89 -5.713 -1.985 -4.291 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.780 -1.236 -3.823 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.503 -1.313 -3.034 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.297 -1.578 -3.664 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.508 -1.114 -1.662 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.878 -1.648 -2.941 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.336 -1.182 -0.934 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.859 -1.446 -1.575 1.00 0.00 C ATOM 0 H PHE A 89 -3.939 -2.379 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.854 -3.376 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.587 -0.714 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.504 -0.639 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.276 -1.732 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.439 -0.903 -1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.810 -1.860 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.354 -1.029 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.777 -1.494 -1.008 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.122 -3.359 -2.603 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.471 -3.457 -2.061 1.00 0.00 C ATOM 1250 C GLU A 90 -6.539 -2.793 -0.689 1.00 0.00 C ATOM 1251 O GLU A 90 -5.895 -3.244 0.262 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.902 -4.924 -1.965 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.492 -5.464 -3.260 1.00 0.00 C ATOM 1254 CD GLU A 90 -6.553 -6.407 -3.991 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -5.390 -6.020 -4.239 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -6.982 -7.534 -4.317 1.00 0.00 O ATOM 0 H GLU A 90 -4.422 -3.894 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.155 -2.938 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.041 -5.531 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.638 -5.028 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.423 -5.986 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.742 -4.629 -3.915 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.317 -1.714 -0.599 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.467 -0.973 0.652 1.00 0.00 C ATOM 1265 C VAL A 91 -8.933 -0.632 0.930 1.00 0.00 C ATOM 1266 O VAL A 91 -9.795 -0.800 0.063 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.641 0.334 0.636 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.149 0.032 0.600 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -7.042 1.212 -0.540 1.00 0.00 C ATOM 0 H VAL A 91 -7.853 -1.334 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.095 -1.623 1.444 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.854 0.879 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.589 0.967 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.873 -0.546 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.915 -0.541 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.448 2.126 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.867 0.674 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.099 1.466 -0.461 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.206 -0.153 2.146 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.562 0.215 2.549 1.00 0.00 C ATOM 1281 C VAL A 92 -10.559 1.516 3.354 1.00 0.00 C ATOM 1282 O VAL A 92 -9.713 1.711 4.229 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.223 -0.898 3.397 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.703 -0.614 3.613 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -11.029 -2.259 2.744 1.00 0.00 C ATOM 0 H VAL A 92 -8.502 -0.011 2.870 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.138 0.353 1.634 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.736 -0.911 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.143 -1.412 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.819 0.337 4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -13.208 -0.564 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.501 -3.027 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.483 -2.255 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.964 -2.471 2.654 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.511 2.403 3.052 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.620 3.687 3.748 1.00 0.00 C ATOM 1297 C TYR A 93 -12.098 3.485 5.185 1.00 0.00 C ATOM 1298 O TYR A 93 -13.157 2.898 5.418 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.589 4.617 3.006 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.148 6.068 2.951 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.494 6.666 4.026 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.391 6.841 1.823 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.098 7.988 3.973 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.998 8.164 1.764 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.353 8.733 2.841 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.959 10.051 2.784 1.00 0.00 O ATOM 0 H TYR A 93 -12.217 2.255 2.331 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.631 4.145 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.717 4.250 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.565 4.565 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.293 6.086 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.896 6.400 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.591 8.436 4.814 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.195 8.750 0.878 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.213 10.431 1.917 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.314 3.975 6.144 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.662 3.848 7.557 1.00 0.00 C ATOM 1318 C VAL A 94 -11.740 5.218 8.229 1.00 0.00 C ATOM 1319 O VAL A 94 -10.731 5.914 8.364 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.654 2.955 8.318 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.889 1.487 7.986 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.215 3.355 8.004 1.00 0.00 C ATOM 0 H VAL A 94 -10.435 4.463 5.968 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.642 3.373 7.599 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.814 3.100 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.172 0.872 8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.901 1.206 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.762 1.331 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.530 2.710 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.033 3.250 6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.053 4.392 8.300 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.948 5.600 8.641 1.00 0.00 N ATOM 1333 CA ALA A 95 -13.170 6.888 9.294 1.00 0.00 C ATOM 1334 C ALA A 95 -14.224 6.781 10.400 1.00 0.00 C ATOM 1335 O ALA A 95 -14.603 7.832 10.960 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.580 7.927 8.260 1.00 0.00 C ATOM 0 H ALA A 95 -13.790 5.034 8.533 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.236 7.200 9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.744 8.885 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.790 8.032 7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.500 7.609 7.769 1.00 0.00 H new TER 1342 ALA A 95