USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 829 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 37 TYR OH : rot 130:sc= 0.35 USER MOD Set 1.2: A 69 SER OG : rot -130:sc= 0.39 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.145 (180deg=-0.54) USER MOD Single : A 1 MET N :NH3+ 179:sc=-0.00751 (180deg=-0.00765) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.571 K(o=-0.57,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.597 (180deg=-0.0627) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.296 X(o=0.3,f=-0.009) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00292 X(o=-0.0029,f=-0.0029) USER MOD Single : A 39 ASN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 147:sc= 0.113 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -130:sc= 0.371 (180deg=-0.181) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 132:sc= -0.38 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.181 (180deg=-0.881) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0489 (180deg=-0.24) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 0.49 (180deg=0.322) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.112 -2.992 20.319 1.00 65.15 N ATOM 2 CA MET A 1 -4.659 -2.874 18.915 1.00 23.43 C ATOM 3 C MET A 1 -3.348 -3.642 18.702 1.00 35.53 C ATOM 4 O MET A 1 -2.381 -3.455 19.452 1.00 2.30 O ATOM 5 CB MET A 1 -4.517 -1.377 18.500 1.00 64.43 C ATOM 6 CG MET A 1 -3.674 -0.492 19.442 1.00 73.33 C ATOM 7 SD MET A 1 -3.532 1.221 18.867 1.00 14.44 S ATOM 8 CE MET A 1 -5.250 1.742 18.777 1.00 21.12 C ATOM 0 H1 MET A 1 -5.991 -2.452 20.447 1.00 65.15 H new ATOM 0 H2 MET A 1 -5.284 -3.992 20.545 1.00 65.15 H new ATOM 0 H3 MET A 1 -4.379 -2.615 20.953 1.00 65.15 H new ATOM 0 HA MET A 1 -5.416 -3.323 18.272 1.00 23.43 H new ATOM 0 HB2 MET A 1 -4.076 -1.337 17.504 1.00 64.43 H new ATOM 0 HB3 MET A 1 -5.515 -0.945 18.424 1.00 64.43 H new ATOM 0 HG2 MET A 1 -4.122 -0.500 20.436 1.00 73.33 H new ATOM 0 HG3 MET A 1 -2.677 -0.921 19.538 1.00 73.33 H new ATOM 0 HE1 MET A 1 -5.299 2.830 18.735 1.00 21.12 H new ATOM 0 HE2 MET A 1 -5.711 1.324 17.882 1.00 21.12 H new ATOM 0 HE3 MET A 1 -5.784 1.389 19.659 1.00 21.12 H new ATOM 20 N LEU A 2 -3.338 -4.532 17.697 1.00 72.33 N ATOM 21 CA LEU A 2 -2.143 -5.286 17.280 1.00 74.04 C ATOM 22 C LEU A 2 -1.474 -4.596 16.082 1.00 70.20 C ATOM 23 O LEU A 2 -2.127 -3.820 15.371 1.00 65.42 O ATOM 24 CB LEU A 2 -2.525 -6.775 16.959 1.00 1.41 C ATOM 25 CG LEU A 2 -3.719 -7.042 15.959 1.00 22.52 C ATOM 26 CD1 LEU A 2 -3.359 -6.746 14.482 1.00 42.22 C ATOM 27 CD2 LEU A 2 -4.246 -8.490 16.101 1.00 5.31 C ATOM 0 H LEU A 2 -4.167 -4.751 17.145 1.00 72.33 H new ATOM 0 HA LEU A 2 -1.422 -5.301 18.097 1.00 74.04 H new ATOM 0 HB2 LEU A 2 -1.639 -7.267 16.558 1.00 1.41 H new ATOM 0 HB3 LEU A 2 -2.764 -7.268 17.901 1.00 1.41 H new ATOM 0 HG LEU A 2 -4.507 -6.342 16.238 1.00 22.52 H new ATOM 0 HD11 LEU A 2 -4.223 -6.950 13.849 1.00 42.22 H new ATOM 0 HD12 LEU A 2 -3.074 -5.699 14.380 1.00 42.22 H new ATOM 0 HD13 LEU A 2 -2.527 -7.380 14.176 1.00 42.22 H new ATOM 0 HD21 LEU A 2 -5.067 -8.648 15.402 1.00 5.31 H new ATOM 0 HD22 LEU A 2 -3.442 -9.193 15.882 1.00 5.31 H new ATOM 0 HD23 LEU A 2 -4.600 -8.650 17.119 1.00 5.31 H new ATOM 39 N THR A 3 -0.181 -4.863 15.881 1.00 3.50 N ATOM 40 CA THR A 3 0.556 -4.413 14.697 1.00 55.12 C ATOM 41 C THR A 3 0.706 -5.581 13.697 1.00 32.31 C ATOM 42 O THR A 3 1.445 -6.543 13.951 1.00 32.13 O ATOM 43 CB THR A 3 1.964 -3.859 15.090 1.00 30.52 C ATOM 44 OG1 THR A 3 1.824 -2.748 15.997 1.00 23.45 O ATOM 45 CG2 THR A 3 2.770 -3.404 13.864 1.00 31.42 C ATOM 0 H THR A 3 0.386 -5.399 16.537 1.00 3.50 H new ATOM 0 HA THR A 3 -0.007 -3.606 14.228 1.00 55.12 H new ATOM 0 HB THR A 3 2.505 -4.674 15.570 1.00 30.52 H new ATOM 0 HG1 THR A 3 2.711 -2.409 16.239 1.00 23.45 H new ATOM 0 HG21 THR A 3 3.741 -3.027 14.186 1.00 31.42 H new ATOM 0 HG22 THR A 3 2.914 -4.248 13.190 1.00 31.42 H new ATOM 0 HG23 THR A 3 2.228 -2.614 13.345 1.00 31.42 H new ATOM 53 N VAL A 4 -0.035 -5.510 12.585 1.00 21.00 N ATOM 54 CA VAL A 4 0.154 -6.418 11.447 1.00 32.35 C ATOM 55 C VAL A 4 0.991 -5.672 10.396 1.00 71.54 C ATOM 56 O VAL A 4 0.853 -4.457 10.222 1.00 44.21 O ATOM 57 CB VAL A 4 -1.212 -6.920 10.832 1.00 21.14 C ATOM 58 CG1 VAL A 4 -2.023 -5.779 10.201 1.00 1.21 C ATOM 59 CG2 VAL A 4 -0.998 -8.069 9.817 1.00 4.51 C ATOM 0 H VAL A 4 -0.779 -4.825 12.449 1.00 21.00 H new ATOM 0 HA VAL A 4 0.667 -7.317 11.788 1.00 32.35 H new ATOM 0 HB VAL A 4 -1.796 -7.312 11.665 1.00 21.14 H new ATOM 0 HG11 VAL A 4 -2.952 -6.176 9.793 1.00 1.21 H new ATOM 0 HG12 VAL A 4 -2.250 -5.031 10.961 1.00 1.21 H new ATOM 0 HG13 VAL A 4 -1.443 -5.319 9.401 1.00 1.21 H new ATOM 0 HG21 VAL A 4 -1.961 -8.386 9.417 1.00 4.51 H new ATOM 0 HG22 VAL A 4 -0.364 -7.721 9.002 1.00 4.51 H new ATOM 0 HG23 VAL A 4 -0.518 -8.911 10.316 1.00 4.51 H new ATOM 69 N GLU A 5 1.897 -6.393 9.755 1.00 20.03 N ATOM 70 CA GLU A 5 2.783 -5.858 8.716 1.00 23.33 C ATOM 71 C GLU A 5 2.605 -6.693 7.450 1.00 70.44 C ATOM 72 O GLU A 5 2.090 -7.823 7.501 1.00 22.12 O ATOM 73 CB GLU A 5 4.263 -5.879 9.194 1.00 35.43 C ATOM 74 CG GLU A 5 4.514 -5.096 10.502 1.00 70.33 C ATOM 75 CD GLU A 5 5.959 -5.194 11.012 1.00 30.20 C ATOM 76 OE1 GLU A 5 6.347 -6.271 11.514 1.00 21.31 O ATOM 77 OE2 GLU A 5 6.699 -4.188 10.954 1.00 72.44 O ATOM 0 H GLU A 5 2.045 -7.385 9.941 1.00 20.03 H new ATOM 0 HA GLU A 5 2.524 -4.820 8.507 1.00 23.33 H new ATOM 0 HB2 GLU A 5 4.573 -6.914 9.338 1.00 35.43 H new ATOM 0 HB3 GLU A 5 4.894 -5.464 8.408 1.00 35.43 H new ATOM 0 HG2 GLU A 5 4.265 -4.047 10.341 1.00 70.33 H new ATOM 0 HG3 GLU A 5 3.840 -5.468 11.273 1.00 70.33 H new ATOM 84 N VAL A 6 2.973 -6.124 6.311 1.00 60.41 N ATOM 85 CA VAL A 6 2.896 -6.820 5.033 1.00 23.15 C ATOM 86 C VAL A 6 3.988 -6.332 4.073 1.00 65.23 C ATOM 87 O VAL A 6 4.221 -5.122 3.920 1.00 14.12 O ATOM 88 CB VAL A 6 1.456 -6.690 4.406 1.00 11.30 C ATOM 89 CG1 VAL A 6 1.021 -5.226 4.203 1.00 42.20 C ATOM 90 CG2 VAL A 6 1.338 -7.496 3.107 1.00 41.34 C ATOM 0 H VAL A 6 3.332 -5.171 6.246 1.00 60.41 H new ATOM 0 HA VAL A 6 3.076 -7.880 5.210 1.00 23.15 H new ATOM 0 HB VAL A 6 0.764 -7.117 5.132 1.00 11.30 H new ATOM 0 HG11 VAL A 6 0.022 -5.200 3.768 1.00 42.20 H new ATOM 0 HG12 VAL A 6 1.012 -4.712 5.164 1.00 42.20 H new ATOM 0 HG13 VAL A 6 1.721 -4.728 3.532 1.00 42.20 H new ATOM 0 HG21 VAL A 6 0.333 -7.385 2.700 1.00 41.34 H new ATOM 0 HG22 VAL A 6 2.065 -7.128 2.383 1.00 41.34 H new ATOM 0 HG23 VAL A 6 1.532 -8.549 3.313 1.00 41.34 H new ATOM 100 N GLU A 7 4.674 -7.301 3.466 1.00 25.10 N ATOM 101 CA GLU A 7 5.682 -7.082 2.449 1.00 11.03 C ATOM 102 C GLU A 7 4.993 -7.046 1.083 1.00 50.44 C ATOM 103 O GLU A 7 4.501 -8.073 0.597 1.00 23.32 O ATOM 104 CB GLU A 7 6.706 -8.238 2.486 1.00 2.34 C ATOM 105 CG GLU A 7 7.978 -8.000 1.651 1.00 63.44 C ATOM 106 CD GLU A 7 8.955 -6.989 2.267 1.00 43.24 C ATOM 107 OE1 GLU A 7 9.112 -6.973 3.514 1.00 50.31 O ATOM 108 OE2 GLU A 7 9.614 -6.249 1.517 1.00 72.45 O ATOM 0 H GLU A 7 4.533 -8.288 3.681 1.00 25.10 H new ATOM 0 HA GLU A 7 6.201 -6.141 2.628 1.00 11.03 H new ATOM 0 HB2 GLU A 7 6.996 -8.415 3.522 1.00 2.34 H new ATOM 0 HB3 GLU A 7 6.220 -9.147 2.131 1.00 2.34 H new ATOM 0 HG2 GLU A 7 8.494 -8.951 1.516 1.00 63.44 H new ATOM 0 HG3 GLU A 7 7.688 -7.651 0.660 1.00 63.44 H new ATOM 115 N VAL A 8 4.920 -5.863 0.500 1.00 11.01 N ATOM 116 CA VAL A 8 4.350 -5.656 -0.829 1.00 72.41 C ATOM 117 C VAL A 8 5.514 -5.309 -1.764 1.00 34.20 C ATOM 118 O VAL A 8 6.053 -4.205 -1.720 1.00 13.13 O ATOM 119 CB VAL A 8 3.264 -4.508 -0.808 1.00 63.02 C ATOM 120 CG1 VAL A 8 2.612 -4.315 -2.196 1.00 2.21 C ATOM 121 CG2 VAL A 8 2.188 -4.768 0.278 1.00 50.24 C ATOM 0 H VAL A 8 5.258 -5.006 0.937 1.00 11.01 H new ATOM 0 HA VAL A 8 3.838 -6.554 -1.176 1.00 72.41 H new ATOM 0 HB VAL A 8 3.780 -3.582 -0.554 1.00 63.02 H new ATOM 0 HG11 VAL A 8 1.871 -3.518 -2.142 1.00 2.21 H new ATOM 0 HG12 VAL A 8 3.378 -4.050 -2.924 1.00 2.21 H new ATOM 0 HG13 VAL A 8 2.126 -5.242 -2.502 1.00 2.21 H new ATOM 0 HG21 VAL A 8 1.456 -3.960 0.266 1.00 50.24 H new ATOM 0 HG22 VAL A 8 1.687 -5.714 0.075 1.00 50.24 H new ATOM 0 HG23 VAL A 8 2.663 -4.812 1.258 1.00 50.24 H new ATOM 131 N LYS A 9 5.909 -6.266 -2.600 1.00 23.32 N ATOM 132 CA LYS A 9 7.068 -6.133 -3.482 1.00 63.42 C ATOM 133 C LYS A 9 6.554 -5.864 -4.901 1.00 41.14 C ATOM 134 O LYS A 9 6.038 -6.769 -5.570 1.00 72.41 O ATOM 135 CB LYS A 9 7.927 -7.422 -3.407 1.00 63.21 C ATOM 136 CG LYS A 9 9.298 -7.326 -4.110 1.00 63.41 C ATOM 137 CD LYS A 9 9.997 -8.700 -4.232 1.00 4.11 C ATOM 138 CE LYS A 9 9.188 -9.678 -5.101 1.00 71.23 C ATOM 139 NZ LYS A 9 9.819 -11.021 -5.181 1.00 23.22 N ATOM 0 H LYS A 9 5.431 -7.163 -2.686 1.00 23.32 H new ATOM 0 HA LYS A 9 7.706 -5.303 -3.177 1.00 63.42 H new ATOM 0 HB2 LYS A 9 8.088 -7.674 -2.359 1.00 63.21 H new ATOM 0 HB3 LYS A 9 7.364 -8.244 -3.850 1.00 63.21 H new ATOM 0 HG2 LYS A 9 9.164 -6.900 -5.104 1.00 63.41 H new ATOM 0 HG3 LYS A 9 9.941 -6.643 -3.555 1.00 63.41 H new ATOM 0 HD2 LYS A 9 10.989 -8.566 -4.663 1.00 4.11 H new ATOM 0 HD3 LYS A 9 10.136 -9.126 -3.239 1.00 4.11 H new ATOM 0 HE2 LYS A 9 8.182 -9.776 -4.692 1.00 71.23 H new ATOM 0 HE3 LYS A 9 9.085 -9.268 -6.106 1.00 71.23 H new ATOM 0 HZ1 LYS A 9 9.237 -11.643 -5.777 1.00 23.22 H new ATOM 0 HZ2 LYS A 9 10.769 -10.934 -5.596 1.00 23.22 H new ATOM 0 HZ3 LYS A 9 9.894 -11.427 -4.226 1.00 23.22 H new ATOM 153 N ILE A 10 6.670 -4.607 -5.333 1.00 31.25 N ATOM 154 CA ILE A 10 6.055 -4.110 -6.573 1.00 33.44 C ATOM 155 C ILE A 10 7.104 -4.081 -7.691 1.00 35.13 C ATOM 156 O ILE A 10 8.019 -3.255 -7.661 1.00 21.45 O ATOM 157 CB ILE A 10 5.465 -2.663 -6.374 1.00 54.33 C ATOM 158 CG1 ILE A 10 4.621 -2.571 -5.060 1.00 50.14 C ATOM 159 CG2 ILE A 10 4.634 -2.250 -7.613 1.00 11.50 C ATOM 160 CD1 ILE A 10 4.087 -1.184 -4.733 1.00 24.33 C ATOM 0 H ILE A 10 7.199 -3.895 -4.829 1.00 31.25 H new ATOM 0 HA ILE A 10 5.240 -4.782 -6.842 1.00 33.44 H new ATOM 0 HB ILE A 10 6.294 -1.963 -6.271 1.00 54.33 H new ATOM 0 HG12 ILE A 10 3.779 -3.259 -5.138 1.00 50.14 H new ATOM 0 HG13 ILE A 10 5.235 -2.913 -4.227 1.00 50.14 H new ATOM 0 HG21 ILE A 10 4.231 -1.248 -7.464 1.00 11.50 H new ATOM 0 HG22 ILE A 10 5.271 -2.257 -8.497 1.00 11.50 H new ATOM 0 HG23 ILE A 10 3.813 -2.954 -7.752 1.00 11.50 H new ATOM 0 HD11 ILE A 10 3.516 -1.223 -3.805 1.00 24.33 H new ATOM 0 HD12 ILE A 10 4.921 -0.491 -4.617 1.00 24.33 H new ATOM 0 HD13 ILE A 10 3.442 -0.843 -5.542 1.00 24.33 H new ATOM 172 N THR A 11 6.987 -4.994 -8.657 1.00 42.13 N ATOM 173 CA THR A 11 7.886 -5.054 -9.815 1.00 53.52 C ATOM 174 C THR A 11 7.254 -4.276 -11.003 1.00 33.31 C ATOM 175 O THR A 11 6.155 -4.601 -11.466 1.00 63.33 O ATOM 176 CB THR A 11 8.233 -6.549 -10.165 1.00 61.03 C ATOM 177 OG1 THR A 11 9.192 -6.615 -11.235 1.00 2.44 O ATOM 178 CG2 THR A 11 7.000 -7.401 -10.520 1.00 5.03 C ATOM 0 H THR A 11 6.265 -5.715 -8.660 1.00 42.13 H new ATOM 0 HA THR A 11 8.834 -4.570 -9.581 1.00 53.52 H new ATOM 0 HB THR A 11 8.661 -6.973 -9.256 1.00 61.03 H new ATOM 0 HG1 THR A 11 9.395 -7.553 -11.435 1.00 2.44 H new ATOM 0 HG21 THR A 11 7.315 -8.419 -10.750 1.00 5.03 H new ATOM 0 HG22 THR A 11 6.312 -7.416 -9.674 1.00 5.03 H new ATOM 0 HG23 THR A 11 6.499 -6.972 -11.388 1.00 5.03 H new ATOM 186 N ALA A 12 7.960 -3.223 -11.455 1.00 51.42 N ATOM 187 CA ALA A 12 7.478 -2.267 -12.479 1.00 43.21 C ATOM 188 C ALA A 12 8.666 -1.770 -13.327 1.00 61.12 C ATOM 189 O ALA A 12 9.819 -1.944 -12.932 1.00 11.11 O ATOM 190 CB ALA A 12 6.759 -1.084 -11.793 1.00 73.34 C ATOM 0 H ALA A 12 8.897 -3.006 -11.116 1.00 51.42 H new ATOM 0 HA ALA A 12 6.768 -2.766 -13.138 1.00 43.21 H new ATOM 0 HB1 ALA A 12 6.406 -0.384 -12.550 1.00 73.34 H new ATOM 0 HB2 ALA A 12 5.910 -1.457 -11.220 1.00 73.34 H new ATOM 0 HB3 ALA A 12 7.453 -0.575 -11.124 1.00 73.34 H new ATOM 196 N ASP A 13 8.387 -1.161 -14.491 1.00 12.13 N ATOM 197 CA ASP A 13 9.453 -0.612 -15.370 1.00 10.23 C ATOM 198 C ASP A 13 10.055 0.661 -14.755 1.00 25.34 C ATOM 199 O ASP A 13 11.267 0.730 -14.501 1.00 10.35 O ATOM 200 CB ASP A 13 8.934 -0.323 -16.807 1.00 34.42 C ATOM 201 CG ASP A 13 9.995 0.346 -17.720 1.00 44.24 C ATOM 202 OD1 ASP A 13 11.013 -0.307 -18.041 1.00 14.01 O ATOM 203 OD2 ASP A 13 9.816 1.515 -18.137 1.00 73.13 O ATOM 0 H ASP A 13 7.441 -1.033 -14.851 1.00 12.13 H new ATOM 0 HA ASP A 13 10.230 -1.372 -15.449 1.00 10.23 H new ATOM 0 HB2 ASP A 13 8.610 -1.258 -17.264 1.00 34.42 H new ATOM 0 HB3 ASP A 13 8.058 0.323 -16.746 1.00 34.42 H new ATOM 208 N ASP A 14 9.194 1.664 -14.514 1.00 10.22 N ATOM 209 CA ASP A 14 9.635 2.984 -14.023 1.00 4.53 C ATOM 210 C ASP A 14 9.502 3.013 -12.488 1.00 41.41 C ATOM 211 O ASP A 14 8.444 3.353 -11.973 1.00 11.22 O ATOM 212 CB ASP A 14 8.812 4.132 -14.687 1.00 10.31 C ATOM 213 CG ASP A 14 9.451 5.535 -14.550 1.00 33.12 C ATOM 214 OD1 ASP A 14 9.814 5.942 -13.435 1.00 30.23 O ATOM 215 OD2 ASP A 14 9.603 6.242 -15.565 1.00 74.40 O ATOM 0 H ASP A 14 8.186 1.587 -14.651 1.00 10.22 H new ATOM 0 HA ASP A 14 10.678 3.144 -14.295 1.00 4.53 H new ATOM 0 HB2 ASP A 14 8.684 3.906 -15.746 1.00 10.31 H new ATOM 0 HB3 ASP A 14 7.817 4.154 -14.243 1.00 10.31 H new ATOM 220 N GLU A 15 10.586 2.624 -11.786 1.00 0.25 N ATOM 221 CA GLU A 15 10.650 2.587 -10.303 1.00 73.23 C ATOM 222 C GLU A 15 10.445 3.983 -9.661 1.00 11.14 C ATOM 223 O GLU A 15 9.926 4.070 -8.538 1.00 3.41 O ATOM 224 CB GLU A 15 11.996 1.966 -9.807 1.00 75.34 C ATOM 225 CG GLU A 15 13.265 2.823 -10.042 1.00 53.32 C ATOM 226 CD GLU A 15 13.571 3.090 -11.529 1.00 73.53 C ATOM 227 OE1 GLU A 15 14.071 2.181 -12.205 1.00 22.13 O ATOM 228 OE2 GLU A 15 13.287 4.198 -12.036 1.00 43.24 O ATOM 0 H GLU A 15 11.452 2.323 -12.233 1.00 0.25 H new ATOM 0 HA GLU A 15 9.825 1.951 -9.981 1.00 73.23 H new ATOM 0 HB2 GLU A 15 11.909 1.766 -8.739 1.00 75.34 H new ATOM 0 HB3 GLU A 15 12.134 1.005 -10.302 1.00 75.34 H new ATOM 0 HG2 GLU A 15 13.148 3.777 -9.528 1.00 53.32 H new ATOM 0 HG3 GLU A 15 14.120 2.320 -9.590 1.00 53.32 H new ATOM 235 N ASN A 16 10.851 5.057 -10.380 1.00 74.04 N ATOM 236 CA ASN A 16 10.725 6.444 -9.884 1.00 52.01 C ATOM 237 C ASN A 16 9.251 6.828 -9.724 1.00 33.22 C ATOM 238 O ASN A 16 8.799 7.134 -8.615 1.00 52.43 O ATOM 239 CB ASN A 16 11.431 7.452 -10.821 1.00 31.20 C ATOM 240 CG ASN A 16 12.957 7.311 -10.888 1.00 31.34 C ATOM 241 OD1 ASN A 16 13.557 7.544 -11.932 1.00 13.40 O ATOM 242 ND2 ASN A 16 13.607 6.966 -9.782 1.00 43.41 N ATOM 0 H ASN A 16 11.269 4.986 -11.308 1.00 74.04 H new ATOM 0 HA ASN A 16 11.214 6.486 -8.911 1.00 52.01 H new ATOM 0 HB2 ASN A 16 11.025 7.337 -11.826 1.00 31.20 H new ATOM 0 HB3 ASN A 16 11.188 8.463 -10.493 1.00 31.20 H new ATOM 0 HD21 ASN A 16 14.624 6.891 -9.791 1.00 43.41 H new ATOM 0 HD22 ASN A 16 13.089 6.776 -8.924 1.00 43.41 H new ATOM 249 N LYS A 17 8.504 6.749 -10.840 1.00 54.42 N ATOM 250 CA LYS A 17 7.073 7.068 -10.861 1.00 22.31 C ATOM 251 C LYS A 17 6.293 6.039 -10.036 1.00 63.01 C ATOM 252 O LYS A 17 5.319 6.392 -9.395 1.00 43.31 O ATOM 253 CB LYS A 17 6.512 7.095 -12.312 1.00 32.10 C ATOM 254 CG LYS A 17 7.073 8.188 -13.265 1.00 72.24 C ATOM 255 CD LYS A 17 6.455 9.604 -13.081 1.00 15.41 C ATOM 256 CE LYS A 17 6.998 10.379 -11.870 1.00 61.13 C ATOM 257 NZ LYS A 17 8.465 10.595 -11.949 1.00 41.02 N ATOM 0 H LYS A 17 8.877 6.464 -11.746 1.00 54.42 H new ATOM 0 HA LYS A 17 6.952 8.061 -10.428 1.00 22.31 H new ATOM 0 HB2 LYS A 17 6.699 6.122 -12.766 1.00 32.10 H new ATOM 0 HB3 LYS A 17 5.430 7.218 -12.255 1.00 32.10 H new ATOM 0 HG2 LYS A 17 8.151 8.257 -13.119 1.00 72.24 H new ATOM 0 HG3 LYS A 17 6.911 7.869 -14.294 1.00 72.24 H new ATOM 0 HD2 LYS A 17 6.639 10.188 -13.983 1.00 15.41 H new ATOM 0 HD3 LYS A 17 5.374 9.505 -12.980 1.00 15.41 H new ATOM 0 HE2 LYS A 17 6.494 11.343 -11.803 1.00 61.13 H new ATOM 0 HE3 LYS A 17 6.762 9.833 -10.957 1.00 61.13 H new ATOM 0 HZ1 LYS A 17 8.921 10.196 -11.104 1.00 41.02 H new ATOM 0 HZ2 LYS A 17 8.840 10.126 -12.798 1.00 41.02 H new ATOM 0 HZ3 LYS A 17 8.664 11.615 -12.000 1.00 41.02 H new ATOM 271 N ALA A 18 6.758 4.769 -10.055 1.00 33.44 N ATOM 272 CA ALA A 18 6.135 3.674 -9.291 1.00 3.44 C ATOM 273 C ALA A 18 6.055 4.022 -7.802 1.00 22.14 C ATOM 274 O ALA A 18 4.992 3.901 -7.182 1.00 64.31 O ATOM 275 CB ALA A 18 6.893 2.351 -9.493 1.00 11.23 C ATOM 0 H ALA A 18 7.571 4.480 -10.598 1.00 33.44 H new ATOM 0 HA ALA A 18 5.121 3.544 -9.670 1.00 3.44 H new ATOM 0 HB1 ALA A 18 6.409 1.563 -8.916 1.00 11.23 H new ATOM 0 HB2 ALA A 18 6.885 2.085 -10.550 1.00 11.23 H new ATOM 0 HB3 ALA A 18 7.923 2.467 -9.156 1.00 11.23 H new ATOM 281 N GLU A 19 7.184 4.519 -7.265 1.00 75.21 N ATOM 282 CA GLU A 19 7.270 4.967 -5.879 1.00 54.41 C ATOM 283 C GLU A 19 6.376 6.201 -5.650 1.00 44.14 C ATOM 284 O GLU A 19 5.464 6.144 -4.836 1.00 52.40 O ATOM 285 CB GLU A 19 8.734 5.291 -5.475 1.00 73.31 C ATOM 286 CG GLU A 19 8.847 5.830 -4.034 1.00 3.20 C ATOM 287 CD GLU A 19 10.248 6.255 -3.606 1.00 63.42 C ATOM 288 OE1 GLU A 19 10.839 7.117 -4.279 1.00 75.22 O ATOM 289 OE2 GLU A 19 10.746 5.779 -2.559 1.00 20.23 O ATOM 0 H GLU A 19 8.056 4.618 -7.785 1.00 75.21 H new ATOM 0 HA GLU A 19 6.917 4.150 -5.250 1.00 54.41 H new ATOM 0 HB2 GLU A 19 9.341 4.391 -5.571 1.00 73.31 H new ATOM 0 HB3 GLU A 19 9.144 6.027 -6.167 1.00 73.31 H new ATOM 0 HG2 GLU A 19 8.178 6.684 -3.929 1.00 3.20 H new ATOM 0 HG3 GLU A 19 8.492 5.062 -3.347 1.00 3.20 H new ATOM 296 N GLU A 20 6.625 7.279 -6.429 1.00 13.21 N ATOM 297 CA GLU A 20 5.978 8.606 -6.251 1.00 54.42 C ATOM 298 C GLU A 20 4.438 8.508 -6.253 1.00 44.13 C ATOM 299 O GLU A 20 3.752 9.097 -5.384 1.00 10.34 O ATOM 300 CB GLU A 20 6.471 9.577 -7.360 1.00 61.44 C ATOM 301 CG GLU A 20 7.979 9.891 -7.278 1.00 61.25 C ATOM 302 CD GLU A 20 8.490 10.786 -8.416 1.00 15.23 C ATOM 303 OE1 GLU A 20 8.081 11.966 -8.481 1.00 44.45 O ATOM 304 OE2 GLU A 20 9.307 10.317 -9.241 1.00 52.01 O ATOM 0 H GLU A 20 7.285 7.255 -7.206 1.00 13.21 H new ATOM 0 HA GLU A 20 6.266 8.994 -5.274 1.00 54.42 H new ATOM 0 HB2 GLU A 20 6.251 9.143 -8.335 1.00 61.44 H new ATOM 0 HB3 GLU A 20 5.910 10.509 -7.292 1.00 61.44 H new ATOM 0 HG2 GLU A 20 8.188 10.377 -6.325 1.00 61.25 H new ATOM 0 HG3 GLU A 20 8.536 8.954 -7.287 1.00 61.25 H new ATOM 311 N ILE A 21 3.923 7.712 -7.211 1.00 42.41 N ATOM 312 CA ILE A 21 2.504 7.373 -7.315 1.00 72.10 C ATOM 313 C ILE A 21 2.050 6.665 -6.026 1.00 32.44 C ATOM 314 O ILE A 21 1.257 7.230 -5.273 1.00 12.33 O ATOM 315 CB ILE A 21 2.228 6.473 -8.592 1.00 74.44 C ATOM 316 CG1 ILE A 21 2.421 7.300 -9.911 1.00 11.23 C ATOM 317 CG2 ILE A 21 0.830 5.825 -8.544 1.00 13.22 C ATOM 318 CD1 ILE A 21 2.327 6.487 -11.197 1.00 22.24 C ATOM 0 H ILE A 21 4.495 7.285 -7.940 1.00 42.41 H new ATOM 0 HA ILE A 21 1.926 8.290 -7.434 1.00 72.10 H new ATOM 0 HB ILE A 21 2.959 5.665 -8.586 1.00 74.44 H new ATOM 0 HG12 ILE A 21 1.670 8.089 -9.941 1.00 11.23 H new ATOM 0 HG13 ILE A 21 3.395 7.788 -9.877 1.00 11.23 H new ATOM 0 HG21 ILE A 21 0.680 5.217 -9.436 1.00 13.22 H new ATOM 0 HG22 ILE A 21 0.751 5.195 -7.658 1.00 13.22 H new ATOM 0 HG23 ILE A 21 0.069 6.604 -8.504 1.00 13.22 H new ATOM 0 HD11 ILE A 21 2.473 7.144 -12.054 1.00 22.24 H new ATOM 0 HD12 ILE A 21 3.096 5.715 -11.196 1.00 22.24 H new ATOM 0 HD13 ILE A 21 1.344 6.020 -11.261 1.00 22.24 H new ATOM 330 N VAL A 22 2.653 5.478 -5.733 1.00 24.12 N ATOM 331 CA VAL A 22 2.231 4.614 -4.608 1.00 23.31 C ATOM 332 C VAL A 22 2.288 5.358 -3.251 1.00 44.43 C ATOM 333 O VAL A 22 1.421 5.152 -2.402 1.00 62.20 O ATOM 334 CB VAL A 22 3.066 3.267 -4.570 1.00 60.24 C ATOM 335 CG1 VAL A 22 2.878 2.475 -3.256 1.00 70.14 C ATOM 336 CG2 VAL A 22 2.685 2.372 -5.769 1.00 3.23 C ATOM 0 H VAL A 22 3.436 5.102 -6.268 1.00 24.12 H new ATOM 0 HA VAL A 22 1.188 4.350 -4.780 1.00 23.31 H new ATOM 0 HB VAL A 22 4.117 3.551 -4.628 1.00 60.24 H new ATOM 0 HG11 VAL A 22 3.475 1.564 -3.292 1.00 70.14 H new ATOM 0 HG12 VAL A 22 3.200 3.087 -2.413 1.00 70.14 H new ATOM 0 HG13 VAL A 22 1.826 2.215 -3.135 1.00 70.14 H new ATOM 0 HG21 VAL A 22 3.264 1.449 -5.733 1.00 3.23 H new ATOM 0 HG22 VAL A 22 1.622 2.135 -5.723 1.00 3.23 H new ATOM 0 HG23 VAL A 22 2.899 2.899 -6.699 1.00 3.23 H new ATOM 346 N LYS A 23 3.256 6.282 -3.090 1.00 62.42 N ATOM 347 CA LYS A 23 3.398 7.071 -1.853 1.00 12.15 C ATOM 348 C LYS A 23 2.209 8.026 -1.684 1.00 24.50 C ATOM 349 O LYS A 23 1.564 8.034 -0.611 1.00 13.22 O ATOM 350 CB LYS A 23 4.725 7.867 -1.817 1.00 3.43 C ATOM 351 CG LYS A 23 5.984 6.987 -1.830 1.00 11.23 C ATOM 352 CD LYS A 23 7.254 7.726 -1.362 1.00 35.23 C ATOM 353 CE LYS A 23 7.217 8.081 0.132 1.00 1.44 C ATOM 354 NZ LYS A 23 8.451 8.793 0.561 1.00 53.41 N ATOM 0 H LYS A 23 3.952 6.499 -3.804 1.00 62.42 H new ATOM 0 HA LYS A 23 3.414 6.364 -1.023 1.00 12.15 H new ATOM 0 HB2 LYS A 23 4.756 8.540 -2.674 1.00 3.43 H new ATOM 0 HB3 LYS A 23 4.739 8.489 -0.922 1.00 3.43 H new ATOM 0 HG2 LYS A 23 5.819 6.121 -1.189 1.00 11.23 H new ATOM 0 HG3 LYS A 23 6.144 6.610 -2.840 1.00 11.23 H new ATOM 0 HD2 LYS A 23 8.126 7.103 -1.562 1.00 35.23 H new ATOM 0 HD3 LYS A 23 7.374 8.639 -1.945 1.00 35.23 H new ATOM 0 HE2 LYS A 23 6.347 8.706 0.336 1.00 1.44 H new ATOM 0 HE3 LYS A 23 7.100 7.170 0.719 1.00 1.44 H new ATOM 0 HZ1 LYS A 23 8.389 9.016 1.575 1.00 53.41 H new ATOM 0 HZ2 LYS A 23 9.279 8.187 0.390 1.00 53.41 H new ATOM 0 HZ3 LYS A 23 8.549 9.675 0.018 1.00 53.41 H new ATOM 368 N ARG A 24 1.884 8.801 -2.756 1.00 24.45 N ATOM 369 CA ARG A 24 0.693 9.666 -2.728 1.00 74.12 C ATOM 370 C ARG A 24 -0.565 8.814 -2.490 1.00 23.11 C ATOM 371 O ARG A 24 -1.436 9.197 -1.723 1.00 43.13 O ATOM 372 CB ARG A 24 0.497 10.519 -4.023 1.00 33.24 C ATOM 373 CG ARG A 24 -0.748 11.444 -3.929 1.00 13.01 C ATOM 374 CD ARG A 24 -1.053 12.286 -5.176 1.00 55.14 C ATOM 375 NE ARG A 24 -2.281 13.079 -4.951 1.00 15.31 N ATOM 376 CZ ARG A 24 -2.826 13.954 -5.806 1.00 24.22 C ATOM 377 NH1 ARG A 24 -2.275 14.192 -6.998 1.00 73.04 N ATOM 378 NH2 ARG A 24 -3.936 14.604 -5.453 1.00 23.43 N ATOM 0 H ARG A 24 2.420 8.838 -3.623 1.00 24.45 H new ATOM 0 HA ARG A 24 0.852 10.369 -1.910 1.00 74.12 H new ATOM 0 HB2 ARG A 24 1.386 11.125 -4.196 1.00 33.24 H new ATOM 0 HB3 ARG A 24 0.392 9.856 -4.881 1.00 33.24 H new ATOM 0 HG2 ARG A 24 -1.619 10.827 -3.709 1.00 13.01 H new ATOM 0 HG3 ARG A 24 -0.613 12.118 -3.083 1.00 13.01 H new ATOM 0 HD2 ARG A 24 -0.215 12.948 -5.394 1.00 55.14 H new ATOM 0 HD3 ARG A 24 -1.180 11.638 -6.043 1.00 55.14 H new ATOM 0 HE ARG A 24 -2.758 12.947 -4.059 1.00 15.31 H new ATOM 0 HH11 ARG A 24 -1.423 13.703 -7.273 1.00 73.04 H new ATOM 0 HH12 ARG A 24 -2.706 14.862 -7.634 1.00 73.04 H new ATOM 0 HH21 ARG A 24 -4.360 14.432 -4.541 1.00 23.43 H new ATOM 0 HH22 ARG A 24 -4.361 15.273 -6.095 1.00 23.43 H new ATOM 392 N VAL A 25 -0.592 7.618 -3.099 1.00 11.23 N ATOM 393 CA VAL A 25 -1.742 6.719 -3.059 1.00 11.32 C ATOM 394 C VAL A 25 -2.017 6.194 -1.636 1.00 31.04 C ATOM 395 O VAL A 25 -3.161 6.194 -1.209 1.00 75.11 O ATOM 396 CB VAL A 25 -1.548 5.523 -4.057 1.00 32.44 C ATOM 397 CG1 VAL A 25 -2.622 4.443 -3.859 1.00 72.25 C ATOM 398 CG2 VAL A 25 -1.552 6.029 -5.514 1.00 73.34 C ATOM 0 H VAL A 25 0.193 7.250 -3.636 1.00 11.23 H new ATOM 0 HA VAL A 25 -2.613 7.297 -3.368 1.00 11.32 H new ATOM 0 HB VAL A 25 -0.580 5.069 -3.846 1.00 32.44 H new ATOM 0 HG11 VAL A 25 -2.456 3.631 -4.567 1.00 72.25 H new ATOM 0 HG12 VAL A 25 -2.565 4.055 -2.842 1.00 72.25 H new ATOM 0 HG13 VAL A 25 -3.608 4.875 -4.028 1.00 72.25 H new ATOM 0 HG21 VAL A 25 -1.416 5.186 -6.192 1.00 73.34 H new ATOM 0 HG22 VAL A 25 -2.503 6.517 -5.727 1.00 73.34 H new ATOM 0 HG23 VAL A 25 -0.739 6.742 -5.654 1.00 73.34 H new ATOM 408 N ILE A 26 -0.963 5.778 -0.899 1.00 61.01 N ATOM 409 CA ILE A 26 -1.111 5.282 0.494 1.00 2.21 C ATOM 410 C ILE A 26 -1.570 6.433 1.414 1.00 74.53 C ATOM 411 O ILE A 26 -2.309 6.222 2.382 1.00 5.15 O ATOM 412 CB ILE A 26 0.226 4.652 1.037 1.00 30.42 C ATOM 413 CG1 ILE A 26 0.712 3.500 0.102 1.00 64.12 C ATOM 414 CG2 ILE A 26 0.060 4.135 2.492 1.00 63.20 C ATOM 415 CD1 ILE A 26 2.163 3.109 0.306 1.00 31.30 C ATOM 0 H ILE A 26 -0.002 5.775 -1.241 1.00 61.01 H new ATOM 0 HA ILE A 26 -1.865 4.495 0.490 1.00 2.21 H new ATOM 0 HB ILE A 26 0.981 5.438 1.045 1.00 30.42 H new ATOM 0 HG12 ILE A 26 0.084 2.624 0.266 1.00 64.12 H new ATOM 0 HG13 ILE A 26 0.571 3.804 -0.935 1.00 64.12 H new ATOM 0 HG21 ILE A 26 1.002 3.707 2.836 1.00 63.20 H new ATOM 0 HG22 ILE A 26 -0.221 4.963 3.143 1.00 63.20 H new ATOM 0 HG23 ILE A 26 -0.718 3.372 2.520 1.00 63.20 H new ATOM 0 HD11 ILE A 26 2.423 2.303 -0.381 1.00 31.30 H new ATOM 0 HD12 ILE A 26 2.803 3.970 0.113 1.00 31.30 H new ATOM 0 HD13 ILE A 26 2.308 2.772 1.332 1.00 31.30 H new ATOM 427 N ASP A 27 -1.140 7.657 1.059 1.00 43.13 N ATOM 428 CA ASP A 27 -1.613 8.898 1.698 1.00 74.02 C ATOM 429 C ASP A 27 -3.098 9.159 1.331 1.00 23.41 C ATOM 430 O ASP A 27 -3.884 9.622 2.163 1.00 71.12 O ATOM 431 CB ASP A 27 -0.709 10.090 1.273 1.00 54.31 C ATOM 432 CG ASP A 27 -1.079 11.414 1.956 1.00 33.32 C ATOM 433 OD1 ASP A 27 -0.734 11.587 3.148 1.00 33.10 O ATOM 434 OD2 ASP A 27 -1.703 12.290 1.318 1.00 11.34 O ATOM 0 H ASP A 27 -0.454 7.814 0.320 1.00 43.13 H new ATOM 0 HA ASP A 27 -1.550 8.792 2.781 1.00 74.02 H new ATOM 0 HB2 ASP A 27 0.329 9.849 1.504 1.00 54.31 H new ATOM 0 HB3 ASP A 27 -0.774 10.217 0.192 1.00 54.31 H new ATOM 439 N GLU A 28 -3.479 8.796 0.092 1.00 53.01 N ATOM 440 CA GLU A 28 -4.865 8.923 -0.399 1.00 60.24 C ATOM 441 C GLU A 28 -5.760 7.797 0.167 1.00 64.41 C ATOM 442 O GLU A 28 -6.982 7.953 0.217 1.00 54.22 O ATOM 443 CB GLU A 28 -4.923 8.904 -1.949 1.00 31.32 C ATOM 444 CG GLU A 28 -4.252 10.097 -2.660 1.00 42.34 C ATOM 445 CD GLU A 28 -4.880 11.465 -2.339 1.00 23.51 C ATOM 446 OE1 GLU A 28 -6.104 11.628 -2.545 1.00 71.35 O ATOM 447 OE2 GLU A 28 -4.150 12.395 -1.928 1.00 2.45 O ATOM 0 H GLU A 28 -2.835 8.407 -0.597 1.00 53.01 H new ATOM 0 HA GLU A 28 -5.240 9.885 -0.050 1.00 60.24 H new ATOM 0 HB2 GLU A 28 -4.454 7.985 -2.300 1.00 31.32 H new ATOM 0 HB3 GLU A 28 -5.969 8.865 -2.254 1.00 31.32 H new ATOM 0 HG2 GLU A 28 -3.198 10.122 -2.385 1.00 42.34 H new ATOM 0 HG3 GLU A 28 -4.297 9.934 -3.737 1.00 42.34 H new ATOM 454 N VAL A 29 -5.146 6.661 0.568 1.00 43.22 N ATOM 455 CA VAL A 29 -5.865 5.540 1.207 1.00 73.55 C ATOM 456 C VAL A 29 -6.080 5.864 2.683 1.00 71.20 C ATOM 457 O VAL A 29 -7.139 5.596 3.245 1.00 54.10 O ATOM 458 CB VAL A 29 -5.086 4.174 1.082 1.00 13.32 C ATOM 459 CG1 VAL A 29 -5.782 3.047 1.879 1.00 61.33 C ATOM 460 CG2 VAL A 29 -4.915 3.759 -0.391 1.00 63.12 C ATOM 0 H VAL A 29 -4.145 6.498 0.458 1.00 43.22 H new ATOM 0 HA VAL A 29 -6.818 5.421 0.691 1.00 73.55 H new ATOM 0 HB VAL A 29 -4.097 4.331 1.512 1.00 13.32 H new ATOM 0 HG11 VAL A 29 -5.217 2.121 1.769 1.00 61.33 H new ATOM 0 HG12 VAL A 29 -5.828 3.321 2.933 1.00 61.33 H new ATOM 0 HG13 VAL A 29 -6.793 2.902 1.498 1.00 61.33 H new ATOM 0 HG21 VAL A 29 -4.374 2.814 -0.442 1.00 63.12 H new ATOM 0 HG22 VAL A 29 -5.896 3.642 -0.852 1.00 63.12 H new ATOM 0 HG23 VAL A 29 -4.354 4.527 -0.923 1.00 63.12 H new ATOM 470 N GLU A 30 -5.048 6.469 3.288 1.00 4.00 N ATOM 471 CA GLU A 30 -5.048 6.836 4.705 1.00 14.14 C ATOM 472 C GLU A 30 -6.196 7.808 5.014 1.00 53.05 C ATOM 473 O GLU A 30 -6.901 7.626 5.992 1.00 23.10 O ATOM 474 CB GLU A 30 -3.675 7.429 5.102 1.00 13.52 C ATOM 475 CG GLU A 30 -3.572 7.901 6.564 1.00 51.22 C ATOM 476 CD GLU A 30 -2.162 8.374 6.931 1.00 10.14 C ATOM 477 OE1 GLU A 30 -1.698 9.384 6.359 1.00 21.10 O ATOM 478 OE2 GLU A 30 -1.496 7.724 7.769 1.00 35.42 O ATOM 0 H GLU A 30 -4.186 6.718 2.802 1.00 4.00 H new ATOM 0 HA GLU A 30 -5.212 5.939 5.303 1.00 14.14 H new ATOM 0 HB2 GLU A 30 -2.906 6.678 4.923 1.00 13.52 H new ATOM 0 HB3 GLU A 30 -3.456 8.272 4.447 1.00 13.52 H new ATOM 0 HG2 GLU A 30 -4.279 8.714 6.730 1.00 51.22 H new ATOM 0 HG3 GLU A 30 -3.862 7.086 7.227 1.00 51.22 H new ATOM 485 N ARG A 31 -6.430 8.781 4.115 1.00 14.25 N ATOM 486 CA ARG A 31 -7.520 9.768 4.281 1.00 21.35 C ATOM 487 C ARG A 31 -8.919 9.122 4.084 1.00 54.42 C ATOM 488 O ARG A 31 -9.927 9.708 4.480 1.00 51.43 O ATOM 489 CB ARG A 31 -7.325 10.986 3.338 1.00 73.35 C ATOM 490 CG ARG A 31 -7.225 10.630 1.849 1.00 33.13 C ATOM 491 CD ARG A 31 -7.170 11.859 0.927 1.00 14.14 C ATOM 492 NE ARG A 31 -8.440 12.601 0.921 1.00 24.21 N ATOM 493 CZ ARG A 31 -8.981 13.199 -0.149 1.00 20.21 C ATOM 494 NH1 ARG A 31 -8.376 13.168 -1.343 1.00 15.50 N ATOM 495 NH2 ARG A 31 -10.155 13.792 -0.024 1.00 50.22 N ATOM 0 H ARG A 31 -5.881 8.907 3.265 1.00 14.25 H new ATOM 0 HA ARG A 31 -7.473 10.130 5.308 1.00 21.35 H new ATOM 0 HB2 ARG A 31 -8.158 11.675 3.478 1.00 73.35 H new ATOM 0 HB3 ARG A 31 -6.420 11.516 3.633 1.00 73.35 H new ATOM 0 HG2 ARG A 31 -6.333 10.024 1.687 1.00 33.13 H new ATOM 0 HG3 ARG A 31 -8.082 10.016 1.572 1.00 33.13 H new ATOM 0 HD2 ARG A 31 -6.366 12.520 1.251 1.00 14.14 H new ATOM 0 HD3 ARG A 31 -6.931 11.540 -0.088 1.00 14.14 H new ATOM 0 HE ARG A 31 -8.950 12.665 1.802 1.00 24.21 H new ATOM 0 HH11 ARG A 31 -7.486 12.682 -1.451 1.00 15.50 H new ATOM 0 HH12 ARG A 31 -8.806 13.630 -2.145 1.00 15.50 H new ATOM 0 HH21 ARG A 31 -10.634 13.790 0.876 1.00 50.22 H new ATOM 0 HH22 ARG A 31 -10.582 14.252 -0.828 1.00 50.22 H new ATOM 509 N GLU A 32 -8.976 7.934 3.444 1.00 25.15 N ATOM 510 CA GLU A 32 -10.207 7.107 3.385 1.00 31.24 C ATOM 511 C GLU A 32 -10.357 6.315 4.711 1.00 23.20 C ATOM 512 O GLU A 32 -11.455 6.202 5.276 1.00 32.32 O ATOM 513 CB GLU A 32 -10.147 6.119 2.170 1.00 14.31 C ATOM 514 CG GLU A 32 -9.901 6.793 0.801 1.00 4.01 C ATOM 515 CD GLU A 32 -9.792 5.800 -0.380 1.00 14.52 C ATOM 516 OE1 GLU A 32 -8.724 5.178 -0.568 1.00 64.01 O ATOM 517 OE2 GLU A 32 -10.773 5.652 -1.146 1.00 10.34 O ATOM 0 H GLU A 32 -8.180 7.522 2.957 1.00 25.15 H new ATOM 0 HA GLU A 32 -11.070 7.760 3.252 1.00 31.24 H new ATOM 0 HB2 GLU A 32 -9.355 5.392 2.349 1.00 14.31 H new ATOM 0 HB3 GLU A 32 -11.084 5.564 2.123 1.00 14.31 H new ATOM 0 HG2 GLU A 32 -10.713 7.492 0.601 1.00 4.01 H new ATOM 0 HG3 GLU A 32 -8.983 7.378 0.856 1.00 4.01 H new ATOM 524 N VAL A 33 -9.211 5.810 5.208 1.00 5.43 N ATOM 525 CA VAL A 33 -9.134 4.910 6.372 1.00 4.41 C ATOM 526 C VAL A 33 -9.376 5.653 7.702 1.00 21.30 C ATOM 527 O VAL A 33 -9.979 5.093 8.595 1.00 43.25 O ATOM 528 CB VAL A 33 -7.746 4.149 6.390 1.00 21.23 C ATOM 529 CG1 VAL A 33 -7.462 3.437 7.735 1.00 14.33 C ATOM 530 CG2 VAL A 33 -7.663 3.131 5.221 1.00 44.22 C ATOM 0 H VAL A 33 -8.298 6.020 4.804 1.00 5.43 H new ATOM 0 HA VAL A 33 -9.934 4.177 6.272 1.00 4.41 H new ATOM 0 HB VAL A 33 -6.977 4.912 6.265 1.00 21.23 H new ATOM 0 HG11 VAL A 33 -6.496 2.934 7.684 1.00 14.33 H new ATOM 0 HG12 VAL A 33 -7.446 4.172 8.540 1.00 14.33 H new ATOM 0 HG13 VAL A 33 -8.244 2.703 7.930 1.00 14.33 H new ATOM 0 HG21 VAL A 33 -6.701 2.619 5.252 1.00 44.22 H new ATOM 0 HG22 VAL A 33 -8.466 2.400 5.317 1.00 44.22 H new ATOM 0 HG23 VAL A 33 -7.763 3.658 4.272 1.00 44.22 H new ATOM 540 N GLN A 34 -8.928 6.916 7.826 1.00 70.13 N ATOM 541 CA GLN A 34 -9.078 7.684 9.090 1.00 54.30 C ATOM 542 C GLN A 34 -10.563 8.014 9.373 1.00 4.20 C ATOM 543 O GLN A 34 -10.932 8.280 10.518 1.00 64.52 O ATOM 544 CB GLN A 34 -8.228 8.987 9.081 1.00 65.32 C ATOM 545 CG GLN A 34 -6.712 8.795 8.859 1.00 43.51 C ATOM 546 CD GLN A 34 -6.026 7.927 9.917 1.00 34.22 C ATOM 547 OE1 GLN A 34 -5.540 8.431 10.930 1.00 33.41 O ATOM 548 NE2 GLN A 34 -5.964 6.623 9.684 1.00 54.53 N ATOM 0 H GLN A 34 -8.462 7.429 7.077 1.00 70.13 H new ATOM 0 HA GLN A 34 -8.706 7.047 9.892 1.00 54.30 H new ATOM 0 HB2 GLN A 34 -8.611 9.643 8.300 1.00 65.32 H new ATOM 0 HB3 GLN A 34 -8.375 9.502 10.030 1.00 65.32 H new ATOM 0 HG2 GLN A 34 -6.554 8.345 7.879 1.00 43.51 H new ATOM 0 HG3 GLN A 34 -6.232 9.774 8.842 1.00 43.51 H new ATOM 0 HE21 GLN A 34 -6.377 6.236 8.835 1.00 54.53 H new ATOM 0 HE22 GLN A 34 -5.504 6.007 10.354 1.00 54.53 H new ATOM 557 N LYS A 35 -11.404 7.975 8.316 1.00 51.13 N ATOM 558 CA LYS A 35 -12.853 8.208 8.428 1.00 21.03 C ATOM 559 C LYS A 35 -13.541 6.985 9.058 1.00 44.14 C ATOM 560 O LYS A 35 -14.294 7.106 10.028 1.00 22.04 O ATOM 561 CB LYS A 35 -13.470 8.470 7.029 1.00 13.33 C ATOM 562 CG LYS A 35 -12.817 9.621 6.235 1.00 12.34 C ATOM 563 CD LYS A 35 -13.547 9.897 4.903 1.00 23.12 C ATOM 564 CE LYS A 35 -14.990 10.385 5.116 1.00 44.53 C ATOM 565 NZ LYS A 35 -15.749 10.459 3.838 1.00 63.30 N ATOM 0 H LYS A 35 -11.094 7.781 7.364 1.00 51.13 H new ATOM 0 HA LYS A 35 -13.008 9.082 9.061 1.00 21.03 H new ATOM 0 HB2 LYS A 35 -13.399 7.556 6.440 1.00 13.33 H new ATOM 0 HB3 LYS A 35 -14.531 8.689 7.151 1.00 13.33 H new ATOM 0 HG2 LYS A 35 -12.818 10.526 6.843 1.00 12.34 H new ATOM 0 HG3 LYS A 35 -11.775 9.375 6.032 1.00 12.34 H new ATOM 0 HD2 LYS A 35 -12.993 10.645 4.336 1.00 23.12 H new ATOM 0 HD3 LYS A 35 -13.559 8.987 4.303 1.00 23.12 H new ATOM 0 HE2 LYS A 35 -15.502 9.712 5.803 1.00 44.53 H new ATOM 0 HE3 LYS A 35 -14.974 11.369 5.586 1.00 44.53 H new ATOM 0 HZ1 LYS A 35 -16.716 10.792 4.027 1.00 63.30 H new ATOM 0 HZ2 LYS A 35 -15.275 11.121 3.191 1.00 63.30 H new ATOM 0 HZ3 LYS A 35 -15.787 9.516 3.402 1.00 63.30 H new ATOM 579 N GLN A 36 -13.244 5.810 8.490 1.00 35.00 N ATOM 580 CA GLN A 36 -13.867 4.539 8.886 1.00 43.13 C ATOM 581 C GLN A 36 -13.245 4.036 10.204 1.00 42.34 C ATOM 582 O GLN A 36 -13.952 3.702 11.160 1.00 62.43 O ATOM 583 CB GLN A 36 -13.686 3.499 7.746 1.00 14.12 C ATOM 584 CG GLN A 36 -14.222 3.953 6.365 1.00 3.52 C ATOM 585 CD GLN A 36 -15.711 4.321 6.381 1.00 24.01 C ATOM 586 OE1 GLN A 36 -16.083 5.478 6.597 1.00 3.34 O ATOM 587 NE2 GLN A 36 -16.572 3.343 6.151 1.00 41.22 N ATOM 0 H GLN A 36 -12.561 5.713 7.739 1.00 35.00 H new ATOM 0 HA GLN A 36 -14.934 4.687 9.054 1.00 43.13 H new ATOM 0 HB2 GLN A 36 -12.626 3.266 7.650 1.00 14.12 H new ATOM 0 HB3 GLN A 36 -14.191 2.576 8.031 1.00 14.12 H new ATOM 0 HG2 GLN A 36 -13.646 4.814 6.025 1.00 3.52 H new ATOM 0 HG3 GLN A 36 -14.060 3.155 5.640 1.00 3.52 H new ATOM 0 HE21 GLN A 36 -16.234 2.397 5.976 1.00 41.22 H new ATOM 0 HE22 GLN A 36 -17.574 3.535 6.149 1.00 41.22 H new ATOM 596 N TYR A 37 -11.912 4.004 10.216 1.00 34.42 N ATOM 597 CA TYR A 37 -11.079 3.566 11.345 1.00 64.34 C ATOM 598 C TYR A 37 -10.369 4.803 11.962 1.00 42.24 C ATOM 599 O TYR A 37 -9.287 5.192 11.501 1.00 32.32 O ATOM 600 CB TYR A 37 -10.021 2.535 10.849 1.00 44.54 C ATOM 601 CG TYR A 37 -10.564 1.444 9.910 1.00 41.33 C ATOM 602 CD1 TYR A 37 -11.064 0.243 10.403 1.00 12.24 C ATOM 603 CD2 TYR A 37 -10.588 1.632 8.520 1.00 44.33 C ATOM 604 CE1 TYR A 37 -11.559 -0.727 9.553 1.00 34.22 C ATOM 605 CE2 TYR A 37 -11.080 0.659 7.672 1.00 42.42 C ATOM 606 CZ TYR A 37 -11.572 -0.512 8.195 1.00 13.44 C ATOM 607 OH TYR A 37 -12.083 -1.478 7.361 1.00 54.33 O ATOM 0 H TYR A 37 -11.358 4.293 9.410 1.00 34.42 H new ATOM 0 HA TYR A 37 -11.704 3.091 12.102 1.00 64.34 H new ATOM 0 HB2 TYR A 37 -9.226 3.073 10.334 1.00 44.54 H new ATOM 0 HB3 TYR A 37 -9.570 2.054 11.717 1.00 44.54 H new ATOM 0 HD1 TYR A 37 -11.065 0.066 11.468 1.00 12.24 H new ATOM 0 HD2 TYR A 37 -10.214 2.556 8.105 1.00 44.33 H new ATOM 0 HE1 TYR A 37 -11.936 -1.655 9.956 1.00 34.22 H new ATOM 0 HE2 TYR A 37 -11.078 0.818 6.604 1.00 42.42 H new ATOM 0 HH TYR A 37 -12.728 -1.071 6.746 1.00 54.33 H new ATOM 617 N PRO A 38 -10.975 5.465 12.998 1.00 44.44 N ATOM 618 CA PRO A 38 -10.412 6.710 13.589 1.00 71.51 C ATOM 619 C PRO A 38 -9.117 6.485 14.410 1.00 55.31 C ATOM 620 O PRO A 38 -8.370 7.436 14.660 1.00 14.44 O ATOM 621 CB PRO A 38 -11.569 7.224 14.475 1.00 14.51 C ATOM 622 CG PRO A 38 -12.334 5.994 14.856 1.00 15.05 C ATOM 623 CD PRO A 38 -12.253 5.075 13.659 1.00 41.23 C ATOM 0 HA PRO A 38 -10.095 7.416 12.821 1.00 71.51 H new ATOM 0 HB2 PRO A 38 -11.192 7.744 15.356 1.00 14.51 H new ATOM 0 HB3 PRO A 38 -12.199 7.930 13.933 1.00 14.51 H new ATOM 0 HG2 PRO A 38 -11.904 5.524 15.740 1.00 15.05 H new ATOM 0 HG3 PRO A 38 -13.370 6.235 15.095 1.00 15.05 H new ATOM 0 HD2 PRO A 38 -12.245 4.027 13.959 1.00 41.23 H new ATOM 0 HD3 PRO A 38 -13.105 5.209 12.993 1.00 41.23 H new ATOM 631 N ASN A 39 -8.866 5.231 14.844 1.00 41.33 N ATOM 632 CA ASN A 39 -7.671 4.872 15.655 1.00 51.34 C ATOM 633 C ASN A 39 -6.786 3.833 14.939 1.00 2.20 C ATOM 634 O ASN A 39 -6.159 2.994 15.594 1.00 52.11 O ATOM 635 CB ASN A 39 -8.119 4.361 17.062 1.00 63.00 C ATOM 636 CG ASN A 39 -8.815 5.420 17.938 1.00 43.00 C ATOM 637 OD1 ASN A 39 -9.714 5.096 18.717 1.00 61.30 O ATOM 638 ND2 ASN A 39 -8.395 6.681 17.844 1.00 24.25 N ATOM 0 H ASN A 39 -9.479 4.440 14.646 1.00 41.33 H new ATOM 0 HA ASN A 39 -7.063 5.768 15.784 1.00 51.34 H new ATOM 0 HB2 ASN A 39 -8.796 3.517 16.929 1.00 63.00 H new ATOM 0 HB3 ASN A 39 -7.244 3.987 17.594 1.00 63.00 H new ATOM 0 HD21 ASN A 39 -8.819 7.404 18.425 1.00 24.25 H new ATOM 0 HD22 ASN A 39 -7.649 6.923 17.191 1.00 24.25 H new ATOM 645 N ALA A 40 -6.713 3.895 13.596 1.00 31.10 N ATOM 646 CA ALA A 40 -5.795 3.042 12.799 1.00 3.31 C ATOM 647 C ALA A 40 -4.562 3.841 12.336 1.00 45.05 C ATOM 648 O ALA A 40 -4.669 5.027 12.008 1.00 64.20 O ATOM 649 CB ALA A 40 -6.527 2.448 11.592 1.00 63.21 C ATOM 0 H ALA A 40 -7.280 4.529 13.033 1.00 31.10 H new ATOM 0 HA ALA A 40 -5.453 2.227 13.437 1.00 3.31 H new ATOM 0 HB1 ALA A 40 -5.839 1.826 11.019 1.00 63.21 H new ATOM 0 HB2 ALA A 40 -7.364 1.841 11.937 1.00 63.21 H new ATOM 0 HB3 ALA A 40 -6.899 3.254 10.960 1.00 63.21 H new ATOM 655 N THR A 41 -3.397 3.168 12.297 1.00 13.14 N ATOM 656 CA THR A 41 -2.108 3.771 11.904 1.00 3.10 C ATOM 657 C THR A 41 -1.521 3.003 10.700 1.00 42.24 C ATOM 658 O THR A 41 -1.349 1.786 10.780 1.00 43.30 O ATOM 659 CB THR A 41 -1.097 3.720 13.107 1.00 41.14 C ATOM 660 OG1 THR A 41 -1.729 4.235 14.290 1.00 42.55 O ATOM 661 CG2 THR A 41 0.186 4.524 12.835 1.00 13.02 C ATOM 0 H THR A 41 -3.323 2.180 12.540 1.00 13.14 H new ATOM 0 HA THR A 41 -2.274 4.811 11.625 1.00 3.10 H new ATOM 0 HB THR A 41 -0.813 2.676 13.242 1.00 41.14 H new ATOM 0 HG1 THR A 41 -1.098 4.201 15.039 1.00 42.55 H new ATOM 0 HG21 THR A 41 0.849 4.455 13.698 1.00 13.02 H new ATOM 0 HG22 THR A 41 0.690 4.119 11.957 1.00 13.02 H new ATOM 0 HG23 THR A 41 -0.070 5.568 12.657 1.00 13.02 H new ATOM 669 N ILE A 42 -1.232 3.715 9.590 1.00 1.35 N ATOM 670 CA ILE A 42 -0.630 3.124 8.373 1.00 60.21 C ATOM 671 C ILE A 42 0.778 3.719 8.172 1.00 32.02 C ATOM 672 O ILE A 42 0.903 4.880 7.774 1.00 4.52 O ATOM 673 CB ILE A 42 -1.478 3.428 7.074 1.00 25.21 C ATOM 674 CG1 ILE A 42 -2.977 3.059 7.267 1.00 3.30 C ATOM 675 CG2 ILE A 42 -0.880 2.686 5.846 1.00 72.41 C ATOM 676 CD1 ILE A 42 -3.873 3.499 6.120 1.00 75.51 C ATOM 0 H ILE A 42 -1.409 4.716 9.511 1.00 1.35 H new ATOM 0 HA ILE A 42 -0.597 2.044 8.517 1.00 60.21 H new ATOM 0 HB ILE A 42 -1.428 4.501 6.890 1.00 25.21 H new ATOM 0 HG12 ILE A 42 -3.062 1.979 7.388 1.00 3.30 H new ATOM 0 HG13 ILE A 42 -3.337 3.513 8.191 1.00 3.30 H new ATOM 0 HG21 ILE A 42 -1.477 2.907 4.961 1.00 72.41 H new ATOM 0 HG22 ILE A 42 0.146 3.018 5.684 1.00 72.41 H new ATOM 0 HG23 ILE A 42 -0.889 1.612 6.030 1.00 72.41 H new ATOM 0 HD11 ILE A 42 -4.902 3.206 6.329 1.00 75.51 H new ATOM 0 HD12 ILE A 42 -3.819 4.582 6.011 1.00 75.51 H new ATOM 0 HD13 ILE A 42 -3.541 3.025 5.196 1.00 75.51 H new ATOM 688 N THR A 43 1.825 2.947 8.478 1.00 61.13 N ATOM 689 CA THR A 43 3.215 3.334 8.173 1.00 42.32 C ATOM 690 C THR A 43 3.647 2.664 6.851 1.00 73.32 C ATOM 691 O THR A 43 3.192 1.565 6.534 1.00 51.15 O ATOM 692 CB THR A 43 4.180 2.936 9.339 1.00 40.01 C ATOM 693 OG1 THR A 43 3.606 3.342 10.600 1.00 71.03 O ATOM 694 CG2 THR A 43 5.579 3.579 9.182 1.00 35.23 C ATOM 0 H THR A 43 1.740 2.042 8.941 1.00 61.13 H new ATOM 0 HA THR A 43 3.268 4.417 8.064 1.00 42.32 H new ATOM 0 HB THR A 43 4.305 1.854 9.308 1.00 40.01 H new ATOM 0 HG1 THR A 43 4.210 3.091 11.330 1.00 71.03 H new ATOM 0 HG21 THR A 43 6.215 3.275 10.014 1.00 35.23 H new ATOM 0 HG22 THR A 43 6.027 3.251 8.244 1.00 35.23 H new ATOM 0 HG23 THR A 43 5.482 4.665 9.178 1.00 35.23 H new ATOM 702 N ARG A 44 4.493 3.353 6.076 1.00 55.33 N ATOM 703 CA ARG A 44 4.925 2.901 4.745 1.00 65.43 C ATOM 704 C ARG A 44 6.389 3.283 4.500 1.00 23.22 C ATOM 705 O ARG A 44 6.849 4.342 4.952 1.00 75.32 O ATOM 706 CB ARG A 44 4.003 3.458 3.614 1.00 10.22 C ATOM 707 CG ARG A 44 3.737 4.993 3.608 1.00 34.42 C ATOM 708 CD ARG A 44 2.728 5.453 4.690 1.00 24.42 C ATOM 709 NE ARG A 44 2.304 6.850 4.521 1.00 1.13 N ATOM 710 CZ ARG A 44 1.175 7.380 5.026 1.00 3.13 C ATOM 711 NH1 ARG A 44 0.336 6.641 5.744 1.00 54.11 N ATOM 712 NH2 ARG A 44 0.892 8.658 4.816 1.00 2.34 N ATOM 0 H ARG A 44 4.900 4.245 6.355 1.00 55.33 H new ATOM 0 HA ARG A 44 4.840 1.815 4.720 1.00 65.43 H new ATOM 0 HB2 ARG A 44 4.443 3.187 2.654 1.00 10.22 H new ATOM 0 HB3 ARG A 44 3.042 2.948 3.679 1.00 10.22 H new ATOM 0 HG2 ARG A 44 4.681 5.517 3.757 1.00 34.42 H new ATOM 0 HG3 ARG A 44 3.362 5.284 2.627 1.00 34.42 H new ATOM 0 HD2 ARG A 44 1.851 4.806 4.660 1.00 24.42 H new ATOM 0 HD3 ARG A 44 3.179 5.332 5.675 1.00 24.42 H new ATOM 0 HE ARG A 44 2.912 7.465 3.980 1.00 1.13 H new ATOM 0 HH11 ARG A 44 0.544 5.658 5.919 1.00 54.11 H new ATOM 0 HH12 ARG A 44 -0.516 7.057 6.120 1.00 54.11 H new ATOM 0 HH21 ARG A 44 1.530 9.239 4.272 1.00 2.34 H new ATOM 0 HH22 ARG A 44 0.036 9.060 5.199 1.00 2.34 H new ATOM 726 N THR A 45 7.117 2.400 3.790 1.00 61.30 N ATOM 727 CA THR A 45 8.535 2.592 3.448 1.00 72.10 C ATOM 728 C THR A 45 8.811 1.952 2.076 1.00 61.30 C ATOM 729 O THR A 45 8.620 0.746 1.915 1.00 42.41 O ATOM 730 CB THR A 45 9.477 1.953 4.529 1.00 44.45 C ATOM 731 OG1 THR A 45 9.065 2.353 5.848 1.00 61.41 O ATOM 732 CG2 THR A 45 10.946 2.351 4.316 1.00 71.11 C ATOM 0 H THR A 45 6.731 1.525 3.435 1.00 61.30 H new ATOM 0 HA THR A 45 8.742 3.662 3.415 1.00 72.10 H new ATOM 0 HB THR A 45 9.397 0.871 4.426 1.00 44.45 H new ATOM 0 HG1 THR A 45 9.659 1.947 6.513 1.00 61.41 H new ATOM 0 HG21 THR A 45 11.564 1.888 5.085 1.00 71.11 H new ATOM 0 HG22 THR A 45 11.276 2.013 3.334 1.00 71.11 H new ATOM 0 HG23 THR A 45 11.042 3.435 4.378 1.00 71.11 H new ATOM 740 N LEU A 46 9.235 2.771 1.096 1.00 21.30 N ATOM 741 CA LEU A 46 9.472 2.326 -0.287 1.00 34.24 C ATOM 742 C LEU A 46 10.975 2.430 -0.627 1.00 41.43 C ATOM 743 O LEU A 46 11.559 3.513 -0.561 1.00 53.31 O ATOM 744 CB LEU A 46 8.615 3.148 -1.298 1.00 11.25 C ATOM 745 CG LEU A 46 7.052 3.041 -1.152 1.00 55.12 C ATOM 746 CD1 LEU A 46 6.507 3.877 0.028 1.00 70.22 C ATOM 747 CD2 LEU A 46 6.342 3.412 -2.466 1.00 50.35 C ATOM 0 H LEU A 46 9.423 3.763 1.243 1.00 21.30 H new ATOM 0 HA LEU A 46 9.167 1.283 -0.370 1.00 34.24 H new ATOM 0 HB2 LEU A 46 8.894 4.198 -1.206 1.00 11.25 H new ATOM 0 HB3 LEU A 46 8.885 2.834 -2.306 1.00 11.25 H new ATOM 0 HG LEU A 46 6.832 1.997 -0.927 1.00 55.12 H new ATOM 0 HD11 LEU A 46 5.424 3.767 0.082 1.00 70.22 H new ATOM 0 HD12 LEU A 46 6.955 3.528 0.959 1.00 70.22 H new ATOM 0 HD13 LEU A 46 6.758 4.927 -0.124 1.00 70.22 H new ATOM 0 HD21 LEU A 46 5.263 3.328 -2.333 1.00 50.35 H new ATOM 0 HD22 LEU A 46 6.595 4.436 -2.740 1.00 50.35 H new ATOM 0 HD23 LEU A 46 6.664 2.735 -3.257 1.00 50.35 H new ATOM 759 N THR A 47 11.582 1.283 -0.964 1.00 44.40 N ATOM 760 CA THR A 47 12.984 1.174 -1.409 1.00 60.41 C ATOM 761 C THR A 47 12.985 0.957 -2.940 1.00 65.24 C ATOM 762 O THR A 47 12.010 0.435 -3.472 1.00 31.14 O ATOM 763 CB THR A 47 13.669 -0.038 -0.684 1.00 1.32 C ATOM 764 OG1 THR A 47 13.462 0.067 0.734 1.00 30.15 O ATOM 765 CG2 THR A 47 15.176 -0.137 -0.959 1.00 20.11 C ATOM 0 H THR A 47 11.103 0.383 -0.935 1.00 44.40 H new ATOM 0 HA THR A 47 13.539 2.080 -1.164 1.00 60.41 H new ATOM 0 HB THR A 47 13.205 -0.940 -1.084 1.00 1.32 H new ATOM 0 HG1 THR A 47 13.379 -0.830 1.120 1.00 30.15 H new ATOM 0 HG21 THR A 47 15.587 -0.996 -0.428 1.00 20.11 H new ATOM 0 HG22 THR A 47 15.343 -0.258 -2.029 1.00 20.11 H new ATOM 0 HG23 THR A 47 15.669 0.772 -0.615 1.00 20.11 H new ATOM 773 N ARG A 48 14.047 1.364 -3.652 1.00 43.01 N ATOM 774 CA ARG A 48 14.137 1.169 -5.122 1.00 3.04 C ATOM 775 C ARG A 48 15.355 0.293 -5.446 1.00 24.22 C ATOM 776 O ARG A 48 16.466 0.588 -4.997 1.00 75.42 O ATOM 777 CB ARG A 48 14.230 2.523 -5.903 1.00 0.03 C ATOM 778 CG ARG A 48 13.050 3.511 -5.688 1.00 73.12 C ATOM 779 CD ARG A 48 13.158 4.317 -4.378 1.00 41.44 C ATOM 780 NE ARG A 48 14.404 5.121 -4.303 1.00 63.13 N ATOM 781 CZ ARG A 48 14.531 6.323 -3.704 1.00 62.23 C ATOM 782 NH1 ARG A 48 13.490 6.923 -3.119 1.00 41.34 N ATOM 783 NH2 ARG A 48 15.718 6.932 -3.694 1.00 44.13 N ATOM 0 H ARG A 48 14.857 1.829 -3.243 1.00 43.01 H new ATOM 0 HA ARG A 48 13.220 0.677 -5.446 1.00 3.04 H new ATOM 0 HB2 ARG A 48 15.155 3.023 -5.616 1.00 0.03 H new ATOM 0 HB3 ARG A 48 14.305 2.302 -6.968 1.00 0.03 H new ATOM 0 HG2 ARG A 48 13.007 4.203 -6.529 1.00 73.12 H new ATOM 0 HG3 ARG A 48 12.114 2.953 -5.686 1.00 73.12 H new ATOM 0 HD2 ARG A 48 12.297 4.980 -4.291 1.00 41.44 H new ATOM 0 HD3 ARG A 48 13.120 3.633 -3.531 1.00 41.44 H new ATOM 0 HE ARG A 48 15.237 4.730 -4.743 1.00 63.13 H new ATOM 0 HH11 ARG A 48 12.575 6.472 -3.119 1.00 41.34 H new ATOM 0 HH12 ARG A 48 13.610 7.832 -2.672 1.00 41.34 H new ATOM 0 HH21 ARG A 48 16.522 6.489 -4.138 1.00 44.13 H new ATOM 0 HH22 ARG A 48 15.821 7.841 -3.243 1.00 44.13 H new ATOM 797 N ASP A 49 15.129 -0.792 -6.212 1.00 23.34 N ATOM 798 CA ASP A 49 16.192 -1.727 -6.653 1.00 60.13 C ATOM 799 C ASP A 49 15.901 -2.239 -8.074 1.00 14.42 C ATOM 800 O ASP A 49 14.927 -2.975 -8.275 1.00 3.34 O ATOM 801 CB ASP A 49 16.343 -2.930 -5.670 1.00 21.42 C ATOM 802 CG ASP A 49 16.969 -2.551 -4.318 1.00 51.41 C ATOM 803 OD1 ASP A 49 18.208 -2.369 -4.258 1.00 50.21 O ATOM 804 OD2 ASP A 49 16.226 -2.428 -3.319 1.00 21.51 O ATOM 0 H ASP A 49 14.200 -1.049 -6.546 1.00 23.34 H new ATOM 0 HA ASP A 49 17.133 -1.177 -6.657 1.00 60.13 H new ATOM 0 HB2 ASP A 49 15.361 -3.370 -5.495 1.00 21.42 H new ATOM 0 HB3 ASP A 49 16.956 -3.698 -6.142 1.00 21.42 H new ATOM 809 N ASP A 50 16.760 -1.829 -9.040 1.00 15.24 N ATOM 810 CA ASP A 50 16.689 -2.220 -10.476 1.00 45.24 C ATOM 811 C ASP A 50 15.398 -1.695 -11.146 1.00 43.55 C ATOM 812 O ASP A 50 15.429 -0.715 -11.888 1.00 71.45 O ATOM 813 CB ASP A 50 16.865 -3.763 -10.668 1.00 21.20 C ATOM 814 CG ASP A 50 18.219 -4.282 -10.141 1.00 62.24 C ATOM 815 OD1 ASP A 50 19.230 -4.187 -10.869 1.00 63.04 O ATOM 816 OD2 ASP A 50 18.279 -4.794 -8.995 1.00 62.41 O ATOM 0 H ASP A 50 17.540 -1.203 -8.841 1.00 15.24 H new ATOM 0 HA ASP A 50 17.528 -1.743 -10.983 1.00 45.24 H new ATOM 0 HB2 ASP A 50 16.057 -4.283 -10.153 1.00 21.20 H new ATOM 0 HB3 ASP A 50 16.776 -4.005 -11.727 1.00 21.20 H new ATOM 821 N GLY A 51 14.283 -2.363 -10.867 1.00 32.33 N ATOM 822 CA GLY A 51 12.951 -1.952 -11.312 1.00 71.22 C ATOM 823 C GLY A 51 11.907 -2.562 -10.400 1.00 15.53 C ATOM 824 O GLY A 51 10.905 -3.107 -10.848 1.00 33.52 O ATOM 0 H GLY A 51 14.277 -3.221 -10.315 1.00 32.33 H new ATOM 0 HA2 GLY A 51 12.870 -0.865 -11.300 1.00 71.22 H new ATOM 0 HA3 GLY A 51 12.784 -2.272 -12.340 1.00 71.22 H new ATOM 828 N THR A 52 12.195 -2.548 -9.093 1.00 55.31 N ATOM 829 CA THR A 52 11.321 -3.121 -8.074 1.00 22.33 C ATOM 830 C THR A 52 11.302 -2.206 -6.845 1.00 60.15 C ATOM 831 O THR A 52 12.353 -1.919 -6.253 1.00 60.35 O ATOM 832 CB THR A 52 11.786 -4.564 -7.673 1.00 0.33 C ATOM 833 OG1 THR A 52 11.744 -5.442 -8.819 1.00 4.21 O ATOM 834 CG2 THR A 52 10.926 -5.178 -6.551 1.00 50.12 C ATOM 0 H THR A 52 13.048 -2.135 -8.715 1.00 55.31 H new ATOM 0 HA THR A 52 10.314 -3.200 -8.484 1.00 22.33 H new ATOM 0 HB THR A 52 12.806 -4.465 -7.302 1.00 0.33 H new ATOM 0 HG1 THR A 52 12.038 -6.339 -8.555 1.00 4.21 H new ATOM 0 HG21 THR A 52 11.294 -6.176 -6.315 1.00 50.12 H new ATOM 0 HG22 THR A 52 10.985 -4.550 -5.662 1.00 50.12 H new ATOM 0 HG23 THR A 52 9.889 -5.242 -6.881 1.00 50.12 H new ATOM 842 N VAL A 53 10.108 -1.723 -6.509 1.00 43.01 N ATOM 843 CA VAL A 53 9.852 -0.948 -5.301 1.00 2.42 C ATOM 844 C VAL A 53 9.516 -1.911 -4.145 1.00 25.12 C ATOM 845 O VAL A 53 8.536 -2.654 -4.222 1.00 24.53 O ATOM 846 CB VAL A 53 8.667 0.066 -5.529 1.00 64.50 C ATOM 847 CG1 VAL A 53 8.368 0.878 -4.255 1.00 10.35 C ATOM 848 CG2 VAL A 53 8.962 0.999 -6.727 1.00 71.04 C ATOM 0 H VAL A 53 9.276 -1.863 -7.082 1.00 43.01 H new ATOM 0 HA VAL A 53 10.743 -0.372 -5.050 1.00 2.42 H new ATOM 0 HB VAL A 53 7.775 -0.515 -5.764 1.00 64.50 H new ATOM 0 HG11 VAL A 53 7.546 1.567 -4.447 1.00 10.35 H new ATOM 0 HG12 VAL A 53 8.092 0.200 -3.448 1.00 10.35 H new ATOM 0 HG13 VAL A 53 9.255 1.443 -3.967 1.00 10.35 H new ATOM 0 HG21 VAL A 53 8.130 1.689 -6.864 1.00 71.04 H new ATOM 0 HG22 VAL A 53 9.874 1.564 -6.532 1.00 71.04 H new ATOM 0 HG23 VAL A 53 9.091 0.402 -7.630 1.00 71.04 H new ATOM 858 N GLU A 54 10.337 -1.895 -3.086 1.00 74.23 N ATOM 859 CA GLU A 54 10.104 -2.700 -1.878 1.00 21.42 C ATOM 860 C GLU A 54 9.260 -1.866 -0.896 1.00 33.14 C ATOM 861 O GLU A 54 9.777 -0.960 -0.238 1.00 0.22 O ATOM 862 CB GLU A 54 11.460 -3.112 -1.244 1.00 10.01 C ATOM 863 CG GLU A 54 11.342 -3.791 0.140 1.00 32.13 C ATOM 864 CD GLU A 54 12.683 -4.026 0.850 1.00 33.05 C ATOM 865 OE1 GLU A 54 13.293 -3.038 1.318 1.00 70.31 O ATOM 866 OE2 GLU A 54 13.133 -5.197 0.961 1.00 21.35 O ATOM 0 H GLU A 54 11.181 -1.324 -3.042 1.00 74.23 H new ATOM 0 HA GLU A 54 9.566 -3.615 -2.127 1.00 21.42 H new ATOM 0 HB2 GLU A 54 11.973 -3.791 -1.925 1.00 10.01 H new ATOM 0 HB3 GLU A 54 12.086 -2.225 -1.147 1.00 10.01 H new ATOM 0 HG2 GLU A 54 10.709 -3.176 0.780 1.00 32.13 H new ATOM 0 HG3 GLU A 54 10.837 -4.749 0.019 1.00 32.13 H new ATOM 873 N LEU A 55 7.960 -2.148 -0.849 1.00 2.12 N ATOM 874 CA LEU A 55 7.012 -1.451 0.026 1.00 23.41 C ATOM 875 C LEU A 55 6.745 -2.301 1.279 1.00 74.13 C ATOM 876 O LEU A 55 6.350 -3.460 1.176 1.00 25.30 O ATOM 877 CB LEU A 55 5.689 -1.165 -0.747 1.00 73.25 C ATOM 878 CG LEU A 55 4.498 -0.609 0.096 1.00 10.14 C ATOM 879 CD1 LEU A 55 4.867 0.703 0.812 1.00 53.11 C ATOM 880 CD2 LEU A 55 3.233 -0.442 -0.776 1.00 14.32 C ATOM 0 H LEU A 55 7.528 -2.873 -1.422 1.00 2.12 H new ATOM 0 HA LEU A 55 7.436 -0.497 0.340 1.00 23.41 H new ATOM 0 HB2 LEU A 55 5.906 -0.453 -1.543 1.00 73.25 H new ATOM 0 HB3 LEU A 55 5.366 -2.090 -1.226 1.00 73.25 H new ATOM 0 HG LEU A 55 4.275 -1.342 0.871 1.00 10.14 H new ATOM 0 HD11 LEU A 55 4.011 1.057 1.387 1.00 53.11 H new ATOM 0 HD12 LEU A 55 5.708 0.527 1.483 1.00 53.11 H new ATOM 0 HD13 LEU A 55 5.143 1.455 0.073 1.00 53.11 H new ATOM 0 HD21 LEU A 55 2.418 -0.053 -0.165 1.00 14.32 H new ATOM 0 HD22 LEU A 55 3.441 0.254 -1.589 1.00 14.32 H new ATOM 0 HD23 LEU A 55 2.946 -1.409 -1.190 1.00 14.32 H new ATOM 892 N ARG A 56 6.991 -1.725 2.463 1.00 13.21 N ATOM 893 CA ARG A 56 6.560 -2.305 3.744 1.00 41.15 C ATOM 894 C ARG A 56 5.415 -1.454 4.291 1.00 4.31 C ATOM 895 O ARG A 56 5.612 -0.269 4.576 1.00 41.24 O ATOM 896 CB ARG A 56 7.724 -2.384 4.784 1.00 11.55 C ATOM 897 CG ARG A 56 8.679 -3.594 4.607 1.00 20.35 C ATOM 898 CD ARG A 56 9.670 -3.465 3.414 1.00 54.40 C ATOM 899 NE ARG A 56 11.066 -3.291 3.866 1.00 35.42 N ATOM 900 CZ ARG A 56 11.894 -4.284 4.247 1.00 44.14 C ATOM 901 NH1 ARG A 56 11.503 -5.560 4.225 1.00 41.32 N ATOM 902 NH2 ARG A 56 13.123 -3.991 4.668 1.00 73.40 N ATOM 0 H ARG A 56 7.495 -0.843 2.561 1.00 13.21 H new ATOM 0 HA ARG A 56 6.232 -3.330 3.571 1.00 41.15 H new ATOM 0 HB2 ARG A 56 8.309 -1.466 4.723 1.00 11.55 H new ATOM 0 HB3 ARG A 56 7.295 -2.422 5.785 1.00 11.55 H new ATOM 0 HG2 ARG A 56 9.251 -3.727 5.525 1.00 20.35 H new ATOM 0 HG3 ARG A 56 8.081 -4.495 4.471 1.00 20.35 H new ATOM 0 HD2 ARG A 56 9.601 -4.355 2.788 1.00 54.40 H new ATOM 0 HD3 ARG A 56 9.382 -2.616 2.794 1.00 54.40 H new ATOM 0 HE ARG A 56 11.434 -2.340 3.892 1.00 35.42 H new ATOM 0 HH11 ARG A 56 10.561 -5.800 3.915 1.00 41.32 H new ATOM 0 HH12 ARG A 56 12.146 -6.296 4.518 1.00 41.32 H new ATOM 0 HH21 ARG A 56 13.433 -3.020 4.701 1.00 73.40 H new ATOM 0 HH22 ARG A 56 13.754 -4.738 4.958 1.00 73.40 H new ATOM 916 N ILE A 57 4.217 -2.051 4.378 1.00 21.50 N ATOM 917 CA ILE A 57 3.059 -1.445 5.045 1.00 23.21 C ATOM 918 C ILE A 57 2.965 -2.022 6.469 1.00 71.54 C ATOM 919 O ILE A 57 3.112 -3.229 6.666 1.00 73.34 O ATOM 920 CB ILE A 57 1.722 -1.723 4.258 1.00 50.14 C ATOM 921 CG1 ILE A 57 1.731 -1.060 2.845 1.00 72.33 C ATOM 922 CG2 ILE A 57 0.481 -1.271 5.061 1.00 31.52 C ATOM 923 CD1 ILE A 57 1.694 0.459 2.859 1.00 54.22 C ATOM 0 H ILE A 57 4.025 -2.972 3.985 1.00 21.50 H new ATOM 0 HA ILE A 57 3.194 -0.364 5.077 1.00 23.21 H new ATOM 0 HB ILE A 57 1.660 -2.803 4.121 1.00 50.14 H new ATOM 0 HG12 ILE A 57 2.625 -1.384 2.312 1.00 72.33 H new ATOM 0 HG13 ILE A 57 0.873 -1.426 2.281 1.00 72.33 H new ATOM 0 HG21 ILE A 57 -0.421 -1.479 4.485 1.00 31.52 H new ATOM 0 HG22 ILE A 57 0.442 -1.813 6.006 1.00 31.52 H new ATOM 0 HG23 ILE A 57 0.546 -0.201 5.259 1.00 31.52 H new ATOM 0 HD11 ILE A 57 1.703 0.833 1.835 1.00 54.22 H new ATOM 0 HD12 ILE A 57 0.787 0.796 3.360 1.00 54.22 H new ATOM 0 HD13 ILE A 57 2.566 0.839 3.392 1.00 54.22 H new ATOM 935 N LYS A 58 2.719 -1.147 7.436 1.00 1.34 N ATOM 936 CA LYS A 58 2.608 -1.499 8.845 1.00 23.45 C ATOM 937 C LYS A 58 1.291 -0.909 9.360 1.00 64.10 C ATOM 938 O LYS A 58 1.199 0.299 9.592 1.00 42.02 O ATOM 939 CB LYS A 58 3.832 -0.893 9.582 1.00 30.54 C ATOM 940 CG LYS A 58 3.950 -1.208 11.086 1.00 45.12 C ATOM 941 CD LYS A 58 5.058 -0.360 11.772 1.00 32.23 C ATOM 942 CE LYS A 58 5.485 -0.915 13.138 1.00 3.53 C ATOM 943 NZ LYS A 58 6.187 -2.223 13.005 1.00 2.21 N ATOM 0 H LYS A 58 2.588 -0.151 7.258 1.00 1.34 H new ATOM 0 HA LYS A 58 2.602 -2.576 9.011 1.00 23.45 H new ATOM 0 HB2 LYS A 58 4.737 -1.244 9.087 1.00 30.54 H new ATOM 0 HB3 LYS A 58 3.802 0.190 9.461 1.00 30.54 H new ATOM 0 HG2 LYS A 58 2.994 -1.017 11.573 1.00 45.12 H new ATOM 0 HG3 LYS A 58 4.170 -2.267 11.219 1.00 45.12 H new ATOM 0 HD2 LYS A 58 5.928 -0.314 11.118 1.00 32.23 H new ATOM 0 HD3 LYS A 58 4.699 0.661 11.898 1.00 32.23 H new ATOM 0 HE2 LYS A 58 6.140 -0.199 13.633 1.00 3.53 H new ATOM 0 HE3 LYS A 58 4.607 -1.036 13.773 1.00 3.53 H new ATOM 0 HZ1 LYS A 58 5.764 -2.912 13.659 1.00 2.21 H new ATOM 0 HZ2 LYS A 58 6.093 -2.570 12.029 1.00 2.21 H new ATOM 0 HZ3 LYS A 58 7.194 -2.101 13.234 1.00 2.21 H new ATOM 957 N VAL A 59 0.264 -1.757 9.497 1.00 30.20 N ATOM 958 CA VAL A 59 -1.067 -1.326 9.952 1.00 3.22 C ATOM 959 C VAL A 59 -1.295 -1.787 11.392 1.00 24.12 C ATOM 960 O VAL A 59 -1.345 -2.989 11.667 1.00 10.11 O ATOM 961 CB VAL A 59 -2.235 -1.862 9.039 1.00 21.12 C ATOM 962 CG1 VAL A 59 -3.609 -1.365 9.551 1.00 71.34 C ATOM 963 CG2 VAL A 59 -2.028 -1.456 7.568 1.00 52.42 C ATOM 0 H VAL A 59 0.329 -2.755 9.297 1.00 30.20 H new ATOM 0 HA VAL A 59 -1.084 -0.238 9.890 1.00 3.22 H new ATOM 0 HB VAL A 59 -2.221 -2.951 9.092 1.00 21.12 H new ATOM 0 HG11 VAL A 59 -4.398 -1.748 8.904 1.00 71.34 H new ATOM 0 HG12 VAL A 59 -3.769 -1.721 10.569 1.00 71.34 H new ATOM 0 HG13 VAL A 59 -3.629 -0.275 9.541 1.00 71.34 H new ATOM 0 HG21 VAL A 59 -2.850 -1.841 6.965 1.00 52.42 H new ATOM 0 HG22 VAL A 59 -2.000 -0.369 7.491 1.00 52.42 H new ATOM 0 HG23 VAL A 59 -1.087 -1.870 7.205 1.00 52.42 H new ATOM 973 N LYS A 60 -1.407 -0.828 12.312 1.00 13.04 N ATOM 974 CA LYS A 60 -1.843 -1.095 13.676 1.00 60.34 C ATOM 975 C LYS A 60 -3.353 -0.805 13.751 1.00 44.34 C ATOM 976 O LYS A 60 -3.790 0.312 13.442 1.00 43.01 O ATOM 977 CB LYS A 60 -1.043 -0.239 14.691 1.00 1.42 C ATOM 978 CG LYS A 60 -1.336 -0.576 16.171 1.00 35.40 C ATOM 979 CD LYS A 60 -0.407 0.164 17.162 1.00 53.22 C ATOM 980 CE LYS A 60 -0.522 1.696 17.079 1.00 32.44 C ATOM 981 NZ LYS A 60 0.329 2.367 18.100 1.00 34.22 N ATOM 0 H LYS A 60 -1.197 0.153 12.129 1.00 13.04 H new ATOM 0 HA LYS A 60 -1.656 -2.136 13.938 1.00 60.34 H new ATOM 0 HB2 LYS A 60 0.022 -0.373 14.503 1.00 1.42 H new ATOM 0 HB3 LYS A 60 -1.267 0.814 14.518 1.00 1.42 H new ATOM 0 HG2 LYS A 60 -2.372 -0.322 16.396 1.00 35.40 H new ATOM 0 HG3 LYS A 60 -1.232 -1.651 16.319 1.00 35.40 H new ATOM 0 HD2 LYS A 60 -0.642 -0.156 18.177 1.00 53.22 H new ATOM 0 HD3 LYS A 60 0.625 -0.127 16.967 1.00 53.22 H new ATOM 0 HE2 LYS A 60 -0.228 2.030 16.084 1.00 32.44 H new ATOM 0 HE3 LYS A 60 -1.562 1.991 17.220 1.00 32.44 H new ATOM 0 HZ1 LYS A 60 0.226 3.398 18.014 1.00 34.22 H new ATOM 0 HZ2 LYS A 60 0.032 2.067 19.051 1.00 34.22 H new ATOM 0 HZ3 LYS A 60 1.324 2.105 17.949 1.00 34.22 H new ATOM 995 N ALA A 61 -4.128 -1.828 14.115 1.00 45.44 N ATOM 996 CA ALA A 61 -5.598 -1.751 14.248 1.00 4.32 C ATOM 997 C ALA A 61 -6.065 -2.749 15.318 1.00 14.21 C ATOM 998 O ALA A 61 -5.296 -3.648 15.694 1.00 45.43 O ATOM 999 CB ALA A 61 -6.298 -2.010 12.899 1.00 13.03 C ATOM 0 H ALA A 61 -3.753 -2.752 14.331 1.00 45.44 H new ATOM 0 HA ALA A 61 -5.872 -0.743 14.559 1.00 4.32 H new ATOM 0 HB1 ALA A 61 -7.378 -1.946 13.031 1.00 13.03 H new ATOM 0 HB2 ALA A 61 -5.977 -1.263 12.173 1.00 13.03 H new ATOM 0 HB3 ALA A 61 -6.035 -3.004 12.538 1.00 13.03 H new ATOM 1005 N ASP A 62 -7.322 -2.585 15.790 1.00 23.44 N ATOM 1006 CA ASP A 62 -7.895 -3.374 16.909 1.00 42.01 C ATOM 1007 C ASP A 62 -7.777 -4.883 16.643 1.00 21.13 C ATOM 1008 O ASP A 62 -7.101 -5.599 17.383 1.00 73.34 O ATOM 1009 CB ASP A 62 -9.374 -2.973 17.159 1.00 32.11 C ATOM 1010 CG ASP A 62 -9.995 -3.672 18.385 1.00 21.22 C ATOM 1011 OD1 ASP A 62 -9.837 -3.162 19.517 1.00 23.33 O ATOM 1012 OD2 ASP A 62 -10.641 -4.727 18.227 1.00 2.35 O ATOM 0 H ASP A 62 -7.972 -1.899 15.405 1.00 23.44 H new ATOM 0 HA ASP A 62 -7.321 -3.149 17.808 1.00 42.01 H new ATOM 0 HB2 ASP A 62 -9.432 -1.893 17.296 1.00 32.11 H new ATOM 0 HB3 ASP A 62 -9.963 -3.214 16.274 1.00 32.11 H new ATOM 1017 N THR A 63 -8.435 -5.342 15.573 1.00 23.04 N ATOM 1018 CA THR A 63 -8.302 -6.718 15.071 1.00 42.11 C ATOM 1019 C THR A 63 -7.533 -6.702 13.743 1.00 63.23 C ATOM 1020 O THR A 63 -7.622 -5.720 12.970 1.00 72.44 O ATOM 1021 CB THR A 63 -9.703 -7.389 14.873 1.00 41.31 C ATOM 1022 OG1 THR A 63 -10.539 -6.550 14.057 1.00 12.33 O ATOM 1023 CG2 THR A 63 -10.413 -7.675 16.215 1.00 64.13 C ATOM 0 H THR A 63 -9.078 -4.769 15.027 1.00 23.04 H new ATOM 0 HA THR A 63 -7.754 -7.304 15.808 1.00 42.11 H new ATOM 0 HB THR A 63 -9.534 -8.345 14.378 1.00 41.31 H new ATOM 0 HG1 THR A 63 -10.954 -7.089 13.352 1.00 12.33 H new ATOM 0 HG21 THR A 63 -11.380 -8.140 16.023 1.00 64.13 H new ATOM 0 HG22 THR A 63 -9.800 -8.347 16.815 1.00 64.13 H new ATOM 0 HG23 THR A 63 -10.561 -6.740 16.755 1.00 64.13 H new ATOM 1031 N GLU A 64 -6.800 -7.804 13.466 1.00 41.40 N ATOM 1032 CA GLU A 64 -6.048 -7.954 12.213 1.00 2.31 C ATOM 1033 C GLU A 64 -7.006 -7.956 11.018 1.00 22.44 C ATOM 1034 O GLU A 64 -6.623 -7.540 9.947 1.00 65.23 O ATOM 1035 CB GLU A 64 -5.167 -9.237 12.201 1.00 32.42 C ATOM 1036 CG GLU A 64 -5.950 -10.561 12.185 1.00 71.54 C ATOM 1037 CD GLU A 64 -5.055 -11.784 11.966 1.00 34.24 C ATOM 1038 OE1 GLU A 64 -4.670 -12.043 10.804 1.00 4.23 O ATOM 1039 OE2 GLU A 64 -4.723 -12.485 12.943 1.00 54.34 O ATOM 0 H GLU A 64 -6.717 -8.600 14.098 1.00 41.40 H new ATOM 0 HA GLU A 64 -5.374 -7.101 12.136 1.00 2.31 H new ATOM 0 HB2 GLU A 64 -4.517 -9.206 11.326 1.00 32.42 H new ATOM 0 HB3 GLU A 64 -4.521 -9.225 13.079 1.00 32.42 H new ATOM 0 HG2 GLU A 64 -6.483 -10.673 13.129 1.00 71.54 H new ATOM 0 HG3 GLU A 64 -6.702 -10.522 11.397 1.00 71.54 H new ATOM 1046 N GLU A 65 -8.265 -8.384 11.253 1.00 4.44 N ATOM 1047 CA GLU A 65 -9.312 -8.447 10.224 1.00 33.21 C ATOM 1048 C GLU A 65 -9.644 -7.053 9.646 1.00 2.31 C ATOM 1049 O GLU A 65 -9.694 -6.874 8.419 1.00 34.21 O ATOM 1050 CB GLU A 65 -10.578 -9.100 10.818 1.00 13.21 C ATOM 1051 CG GLU A 65 -11.716 -9.332 9.804 1.00 74.31 C ATOM 1052 CD GLU A 65 -11.275 -10.164 8.583 1.00 44.35 C ATOM 1053 OE1 GLU A 65 -11.054 -11.378 8.730 1.00 53.43 O ATOM 1054 OE2 GLU A 65 -11.174 -9.609 7.466 1.00 70.13 O ATOM 0 H GLU A 65 -8.580 -8.697 12.171 1.00 4.44 H new ATOM 0 HA GLU A 65 -8.938 -9.053 9.399 1.00 33.21 H new ATOM 0 HB2 GLU A 65 -10.303 -10.057 11.261 1.00 13.21 H new ATOM 0 HB3 GLU A 65 -10.951 -8.470 11.625 1.00 13.21 H new ATOM 0 HG2 GLU A 65 -12.542 -9.839 10.303 1.00 74.31 H new ATOM 0 HG3 GLU A 65 -12.093 -8.368 9.463 1.00 74.31 H new ATOM 1061 N LYS A 66 -9.860 -6.077 10.545 1.00 55.34 N ATOM 1062 CA LYS A 66 -10.101 -4.677 10.154 1.00 51.11 C ATOM 1063 C LYS A 66 -8.852 -4.093 9.485 1.00 44.52 C ATOM 1064 O LYS A 66 -8.953 -3.304 8.543 1.00 13.42 O ATOM 1065 CB LYS A 66 -10.502 -3.833 11.385 1.00 65.20 C ATOM 1066 CG LYS A 66 -11.806 -4.292 12.065 1.00 1.13 C ATOM 1067 CD LYS A 66 -12.191 -3.401 13.270 1.00 44.12 C ATOM 1068 CE LYS A 66 -12.469 -1.940 12.882 1.00 73.23 C ATOM 1069 NZ LYS A 66 -12.861 -1.114 14.056 1.00 12.22 N ATOM 0 H LYS A 66 -9.873 -6.234 11.553 1.00 55.34 H new ATOM 0 HA LYS A 66 -10.923 -4.651 9.439 1.00 51.11 H new ATOM 0 HB2 LYS A 66 -9.693 -3.867 12.115 1.00 65.20 H new ATOM 0 HB3 LYS A 66 -10.611 -2.793 11.079 1.00 65.20 H new ATOM 0 HG2 LYS A 66 -12.616 -4.281 11.336 1.00 1.13 H new ATOM 0 HG3 LYS A 66 -11.694 -5.323 12.401 1.00 1.13 H new ATOM 0 HD2 LYS A 66 -13.076 -3.816 13.752 1.00 44.12 H new ATOM 0 HD3 LYS A 66 -11.386 -3.428 14.004 1.00 44.12 H new ATOM 0 HE2 LYS A 66 -11.579 -1.513 12.419 1.00 73.23 H new ATOM 0 HE3 LYS A 66 -13.263 -1.908 12.136 1.00 73.23 H new ATOM 0 HZ1 LYS A 66 -13.039 -0.136 13.749 1.00 12.22 H new ATOM 0 HZ2 LYS A 66 -13.725 -1.505 14.483 1.00 12.22 H new ATOM 0 HZ3 LYS A 66 -12.094 -1.122 14.758 1.00 12.22 H new ATOM 1083 N ALA A 67 -7.680 -4.523 9.983 1.00 55.54 N ATOM 1084 CA ALA A 67 -6.382 -4.164 9.409 1.00 12.10 C ATOM 1085 C ALA A 67 -6.181 -4.767 7.997 1.00 4.24 C ATOM 1086 O ALA A 67 -5.521 -4.150 7.162 1.00 34.10 O ATOM 1087 CB ALA A 67 -5.264 -4.590 10.362 1.00 21.22 C ATOM 0 H ALA A 67 -7.612 -5.132 10.799 1.00 55.54 H new ATOM 0 HA ALA A 67 -6.351 -3.081 9.287 1.00 12.10 H new ATOM 0 HB1 ALA A 67 -4.298 -4.322 9.933 1.00 21.22 H new ATOM 0 HB2 ALA A 67 -5.389 -4.084 11.319 1.00 21.22 H new ATOM 0 HB3 ALA A 67 -5.307 -5.669 10.514 1.00 21.22 H new ATOM 1093 N LYS A 68 -6.772 -5.964 7.727 1.00 3.22 N ATOM 1094 CA LYS A 68 -6.743 -6.590 6.378 1.00 63.54 C ATOM 1095 C LYS A 68 -7.571 -5.761 5.387 1.00 12.35 C ATOM 1096 O LYS A 68 -7.213 -5.650 4.216 1.00 31.02 O ATOM 1097 CB LYS A 68 -7.293 -8.050 6.376 1.00 62.33 C ATOM 1098 CG LYS A 68 -6.569 -9.045 7.299 1.00 11.25 C ATOM 1099 CD LYS A 68 -5.044 -9.123 7.064 1.00 21.13 C ATOM 1100 CE LYS A 68 -4.350 -10.045 8.083 1.00 75.40 C ATOM 1101 NZ LYS A 68 -2.892 -10.177 7.812 1.00 40.22 N ATOM 0 H LYS A 68 -7.273 -6.513 8.426 1.00 3.22 H new ATOM 0 HA LYS A 68 -5.695 -6.619 6.079 1.00 63.54 H new ATOM 0 HB2 LYS A 68 -8.345 -8.021 6.660 1.00 62.33 H new ATOM 0 HB3 LYS A 68 -7.248 -8.432 5.356 1.00 62.33 H new ATOM 0 HG2 LYS A 68 -6.753 -8.763 8.336 1.00 11.25 H new ATOM 0 HG3 LYS A 68 -7.000 -10.036 7.157 1.00 11.25 H new ATOM 0 HD2 LYS A 68 -4.851 -9.487 6.055 1.00 21.13 H new ATOM 0 HD3 LYS A 68 -4.615 -8.123 7.129 1.00 21.13 H new ATOM 0 HE2 LYS A 68 -4.498 -9.651 9.088 1.00 75.40 H new ATOM 0 HE3 LYS A 68 -4.815 -11.031 8.056 1.00 75.40 H new ATOM 0 HZ1 LYS A 68 -2.403 -10.473 8.681 1.00 40.22 H new ATOM 0 HZ2 LYS A 68 -2.740 -10.889 7.069 1.00 40.22 H new ATOM 0 HZ3 LYS A 68 -2.513 -9.261 7.496 1.00 40.22 H new ATOM 1115 N SER A 69 -8.683 -5.191 5.889 1.00 10.23 N ATOM 1116 CA SER A 69 -9.570 -4.328 5.098 1.00 32.44 C ATOM 1117 C SER A 69 -8.849 -3.016 4.720 1.00 71.33 C ATOM 1118 O SER A 69 -9.024 -2.501 3.619 1.00 51.04 O ATOM 1119 CB SER A 69 -10.868 -4.045 5.885 1.00 1.12 C ATOM 1120 OG SER A 69 -11.815 -3.330 5.105 1.00 51.31 O ATOM 0 H SER A 69 -8.988 -5.318 6.854 1.00 10.23 H new ATOM 0 HA SER A 69 -9.835 -4.841 4.173 1.00 32.44 H new ATOM 0 HB2 SER A 69 -11.306 -4.987 6.214 1.00 1.12 H new ATOM 0 HB3 SER A 69 -10.631 -3.473 6.782 1.00 1.12 H new ATOM 0 HG SER A 69 -12.146 -2.561 5.615 1.00 51.31 H new ATOM 1126 N ILE A 70 -8.003 -2.522 5.639 1.00 11.43 N ATOM 1127 CA ILE A 70 -7.152 -1.340 5.415 1.00 52.43 C ATOM 1128 C ILE A 70 -6.095 -1.640 4.327 1.00 71.31 C ATOM 1129 O ILE A 70 -5.933 -0.864 3.373 1.00 21.45 O ATOM 1130 CB ILE A 70 -6.468 -0.908 6.765 1.00 64.34 C ATOM 1131 CG1 ILE A 70 -7.561 -0.476 7.796 1.00 40.41 C ATOM 1132 CG2 ILE A 70 -5.423 0.207 6.544 1.00 71.41 C ATOM 1133 CD1 ILE A 70 -7.056 -0.208 9.199 1.00 71.24 C ATOM 0 H ILE A 70 -7.889 -2.934 6.565 1.00 11.43 H new ATOM 0 HA ILE A 70 -7.771 -0.514 5.065 1.00 52.43 H new ATOM 0 HB ILE A 70 -5.928 -1.764 7.169 1.00 64.34 H new ATOM 0 HG12 ILE A 70 -8.051 0.424 7.426 1.00 40.41 H new ATOM 0 HG13 ILE A 70 -8.321 -1.256 7.844 1.00 40.41 H new ATOM 0 HG21 ILE A 70 -4.973 0.478 7.499 1.00 71.41 H new ATOM 0 HG22 ILE A 70 -4.648 -0.150 5.866 1.00 71.41 H new ATOM 0 HG23 ILE A 70 -5.910 1.081 6.111 1.00 71.41 H new ATOM 0 HD11 ILE A 70 -7.890 0.085 9.836 1.00 71.24 H new ATOM 0 HD12 ILE A 70 -6.594 -1.111 9.598 1.00 71.24 H new ATOM 0 HD13 ILE A 70 -6.320 0.595 9.173 1.00 71.24 H new ATOM 1145 N ILE A 71 -5.427 -2.808 4.464 1.00 10.31 N ATOM 1146 CA ILE A 71 -4.440 -3.304 3.480 1.00 4.51 C ATOM 1147 C ILE A 71 -5.125 -3.551 2.115 1.00 23.21 C ATOM 1148 O ILE A 71 -4.511 -3.349 1.078 1.00 71.42 O ATOM 1149 CB ILE A 71 -3.719 -4.614 4.004 1.00 54.15 C ATOM 1150 CG1 ILE A 71 -2.936 -4.306 5.326 1.00 45.43 C ATOM 1151 CG2 ILE A 71 -2.779 -5.234 2.933 1.00 22.31 C ATOM 1152 CD1 ILE A 71 -2.377 -5.522 6.045 1.00 42.10 C ATOM 0 H ILE A 71 -5.558 -3.432 5.260 1.00 10.31 H new ATOM 0 HA ILE A 71 -3.673 -2.541 3.347 1.00 4.51 H new ATOM 0 HB ILE A 71 -4.490 -5.355 4.213 1.00 54.15 H new ATOM 0 HG12 ILE A 71 -2.112 -3.631 5.093 1.00 45.43 H new ATOM 0 HG13 ILE A 71 -3.600 -3.774 6.007 1.00 45.43 H new ATOM 0 HG21 ILE A 71 -2.307 -6.129 3.338 1.00 22.31 H new ATOM 0 HG22 ILE A 71 -3.359 -5.497 2.049 1.00 22.31 H new ATOM 0 HG23 ILE A 71 -2.011 -4.511 2.661 1.00 22.31 H new ATOM 0 HD11 ILE A 71 -1.854 -5.203 6.946 1.00 42.10 H new ATOM 0 HD12 ILE A 71 -3.193 -6.191 6.317 1.00 42.10 H new ATOM 0 HD13 ILE A 71 -1.682 -6.046 5.388 1.00 42.10 H new ATOM 1164 N LYS A 72 -6.427 -3.917 2.145 1.00 24.55 N ATOM 1165 CA LYS A 72 -7.231 -4.151 0.932 1.00 45.34 C ATOM 1166 C LYS A 72 -7.454 -2.837 0.168 1.00 41.31 C ATOM 1167 O LYS A 72 -7.314 -2.806 -1.052 1.00 41.12 O ATOM 1168 CB LYS A 72 -8.598 -4.789 1.297 1.00 52.03 C ATOM 1169 CG LYS A 72 -9.540 -5.069 0.104 1.00 5.51 C ATOM 1170 CD LYS A 72 -9.000 -6.131 -0.874 1.00 1.42 C ATOM 1171 CE LYS A 72 -9.988 -6.433 -2.011 1.00 10.34 C ATOM 1172 NZ LYS A 72 -11.322 -6.867 -1.509 1.00 41.05 N ATOM 0 H LYS A 72 -6.946 -4.057 3.012 1.00 24.55 H new ATOM 0 HA LYS A 72 -6.682 -4.840 0.291 1.00 45.34 H new ATOM 0 HB2 LYS A 72 -8.413 -5.727 1.820 1.00 52.03 H new ATOM 0 HB3 LYS A 72 -9.112 -4.130 1.997 1.00 52.03 H new ATOM 0 HG2 LYS A 72 -10.507 -5.397 0.485 1.00 5.51 H new ATOM 0 HG3 LYS A 72 -9.710 -4.140 -0.440 1.00 5.51 H new ATOM 0 HD2 LYS A 72 -8.057 -5.786 -1.297 1.00 1.42 H new ATOM 0 HD3 LYS A 72 -8.787 -7.050 -0.328 1.00 1.42 H new ATOM 0 HE2 LYS A 72 -10.108 -5.543 -2.629 1.00 10.34 H new ATOM 0 HE3 LYS A 72 -9.573 -7.212 -2.651 1.00 10.34 H new ATOM 0 HZ1 LYS A 72 -11.882 -7.250 -2.297 1.00 41.05 H new ATOM 0 HZ2 LYS A 72 -11.198 -7.601 -0.783 1.00 41.05 H new ATOM 0 HZ3 LYS A 72 -11.819 -6.052 -1.096 1.00 41.05 H new ATOM 1186 N LEU A 73 -7.788 -1.751 0.903 1.00 45.35 N ATOM 1187 CA LEU A 73 -7.953 -0.408 0.307 1.00 43.31 C ATOM 1188 C LEU A 73 -6.623 0.069 -0.325 1.00 42.25 C ATOM 1189 O LEU A 73 -6.628 0.665 -1.405 1.00 63.41 O ATOM 1190 CB LEU A 73 -8.492 0.632 1.348 1.00 35.45 C ATOM 1191 CG LEU A 73 -10.049 0.765 1.479 1.00 62.33 C ATOM 1192 CD1 LEU A 73 -10.723 -0.561 1.878 1.00 14.43 C ATOM 1193 CD2 LEU A 73 -10.420 1.898 2.468 1.00 2.03 C ATOM 0 H LEU A 73 -7.948 -1.780 1.910 1.00 45.35 H new ATOM 0 HA LEU A 73 -8.702 -0.484 -0.481 1.00 43.31 H new ATOM 0 HB2 LEU A 73 -8.091 0.371 2.327 1.00 35.45 H new ATOM 0 HB3 LEU A 73 -8.089 1.611 1.089 1.00 35.45 H new ATOM 0 HG LEU A 73 -10.432 1.025 0.492 1.00 62.33 H new ATOM 0 HD11 LEU A 73 -11.800 -0.413 1.955 1.00 14.43 H new ATOM 0 HD12 LEU A 73 -10.514 -1.318 1.122 1.00 14.43 H new ATOM 0 HD13 LEU A 73 -10.333 -0.892 2.840 1.00 14.43 H new ATOM 0 HD21 LEU A 73 -11.505 1.974 2.544 1.00 2.03 H new ATOM 0 HD22 LEU A 73 -10.002 1.676 3.450 1.00 2.03 H new ATOM 0 HD23 LEU A 73 -10.015 2.843 2.107 1.00 2.03 H new ATOM 1205 N ILE A 74 -5.490 -0.246 0.346 1.00 50.42 N ATOM 1206 CA ILE A 74 -4.133 0.020 -0.179 1.00 55.21 C ATOM 1207 C ILE A 74 -3.906 -0.767 -1.485 1.00 40.21 C ATOM 1208 O ILE A 74 -3.511 -0.186 -2.493 1.00 51.22 O ATOM 1209 CB ILE A 74 -3.020 -0.339 0.890 1.00 42.00 C ATOM 1210 CG1 ILE A 74 -3.228 0.514 2.184 1.00 43.24 C ATOM 1211 CG2 ILE A 74 -1.591 -0.148 0.317 1.00 21.40 C ATOM 1212 CD1 ILE A 74 -2.312 0.176 3.341 1.00 20.24 C ATOM 0 H ILE A 74 -5.492 -0.690 1.264 1.00 50.42 H new ATOM 0 HA ILE A 74 -4.054 1.086 -0.391 1.00 55.21 H new ATOM 0 HB ILE A 74 -3.121 -1.394 1.145 1.00 42.00 H new ATOM 0 HG12 ILE A 74 -3.092 1.565 1.931 1.00 43.24 H new ATOM 0 HG13 ILE A 74 -4.260 0.396 2.514 1.00 43.24 H new ATOM 0 HG21 ILE A 74 -0.856 -0.404 1.080 1.00 21.40 H new ATOM 0 HG22 ILE A 74 -1.456 -0.796 -0.549 1.00 21.40 H new ATOM 0 HG23 ILE A 74 -1.455 0.891 0.017 1.00 21.40 H new ATOM 0 HD11 ILE A 74 -2.539 0.825 4.187 1.00 20.24 H new ATOM 0 HD12 ILE A 74 -2.461 -0.864 3.631 1.00 20.24 H new ATOM 0 HD13 ILE A 74 -1.275 0.323 3.039 1.00 20.24 H new ATOM 1224 N GLU A 75 -4.248 -2.073 -1.456 1.00 45.44 N ATOM 1225 CA GLU A 75 -4.092 -2.993 -2.600 1.00 2.15 C ATOM 1226 C GLU A 75 -4.822 -2.469 -3.850 1.00 52.43 C ATOM 1227 O GLU A 75 -4.214 -2.348 -4.921 1.00 64.10 O ATOM 1228 CB GLU A 75 -4.627 -4.409 -2.225 1.00 63.23 C ATOM 1229 CG GLU A 75 -3.708 -5.231 -1.298 1.00 63.32 C ATOM 1230 CD GLU A 75 -2.387 -5.668 -1.959 1.00 22.34 C ATOM 1231 OE1 GLU A 75 -2.412 -6.033 -3.160 1.00 72.15 O ATOM 1232 OE2 GLU A 75 -1.346 -5.724 -1.272 1.00 25.43 O ATOM 0 H GLU A 75 -4.644 -2.521 -0.630 1.00 45.44 H new ATOM 0 HA GLU A 75 -3.029 -3.057 -2.834 1.00 2.15 H new ATOM 0 HB2 GLU A 75 -5.598 -4.298 -1.742 1.00 63.23 H new ATOM 0 HB3 GLU A 75 -4.790 -4.974 -3.143 1.00 63.23 H new ATOM 0 HG2 GLU A 75 -3.481 -4.640 -0.410 1.00 63.32 H new ATOM 0 HG3 GLU A 75 -4.246 -6.118 -0.962 1.00 63.32 H new ATOM 1239 N GLU A 76 -6.109 -2.124 -3.673 1.00 3.10 N ATOM 1240 CA GLU A 76 -6.985 -1.653 -4.759 1.00 30.43 C ATOM 1241 C GLU A 76 -6.415 -0.410 -5.455 1.00 3.41 C ATOM 1242 O GLU A 76 -6.342 -0.343 -6.687 1.00 45.01 O ATOM 1243 CB GLU A 76 -8.394 -1.323 -4.200 1.00 23.31 C ATOM 1244 CG GLU A 76 -9.170 -2.529 -3.650 1.00 62.12 C ATOM 1245 CD GLU A 76 -9.327 -3.667 -4.673 1.00 64.43 C ATOM 1246 OE1 GLU A 76 -10.133 -3.527 -5.613 1.00 32.54 O ATOM 1247 OE2 GLU A 76 -8.636 -4.699 -4.551 1.00 34.42 O ATOM 0 H GLU A 76 -6.574 -2.165 -2.766 1.00 3.10 H new ATOM 0 HA GLU A 76 -7.051 -2.455 -5.494 1.00 30.43 H new ATOM 0 HB2 GLU A 76 -8.290 -0.584 -3.406 1.00 23.31 H new ATOM 0 HB3 GLU A 76 -8.984 -0.860 -4.991 1.00 23.31 H new ATOM 0 HG2 GLU A 76 -8.657 -2.911 -2.767 1.00 62.12 H new ATOM 0 HG3 GLU A 76 -10.158 -2.201 -3.327 1.00 62.12 H new ATOM 1254 N ARG A 77 -5.976 0.545 -4.632 1.00 31.24 N ATOM 1255 CA ARG A 77 -5.602 1.885 -5.080 1.00 33.44 C ATOM 1256 C ARG A 77 -4.177 1.926 -5.683 1.00 61.21 C ATOM 1257 O ARG A 77 -3.967 2.594 -6.700 1.00 11.05 O ATOM 1258 CB ARG A 77 -5.734 2.870 -3.897 1.00 10.43 C ATOM 1259 CG ARG A 77 -7.169 3.064 -3.358 1.00 71.44 C ATOM 1260 CD ARG A 77 -8.101 3.732 -4.375 1.00 0.43 C ATOM 1261 NE ARG A 77 -9.378 4.149 -3.777 1.00 73.42 N ATOM 1262 CZ ARG A 77 -10.495 4.428 -4.467 1.00 1.11 C ATOM 1263 NH1 ARG A 77 -10.528 4.331 -5.797 1.00 61.01 N ATOM 1264 NH2 ARG A 77 -11.579 4.816 -3.821 1.00 64.13 N ATOM 0 H ARG A 77 -5.870 0.407 -3.627 1.00 31.24 H new ATOM 0 HA ARG A 77 -6.281 2.181 -5.880 1.00 33.44 H new ATOM 0 HB2 ARG A 77 -5.101 2.520 -3.081 1.00 10.43 H new ATOM 0 HB3 ARG A 77 -5.346 3.840 -4.208 1.00 10.43 H new ATOM 0 HG2 ARG A 77 -7.581 2.095 -3.077 1.00 71.44 H new ATOM 0 HG3 ARG A 77 -7.133 3.670 -2.452 1.00 71.44 H new ATOM 0 HD2 ARG A 77 -7.603 4.602 -4.804 1.00 0.43 H new ATOM 0 HD3 ARG A 77 -8.296 3.040 -5.194 1.00 0.43 H new ATOM 0 HE ARG A 77 -9.418 4.233 -2.761 1.00 73.42 H new ATOM 0 HH11 ARG A 77 -9.694 4.040 -6.308 1.00 61.01 H new ATOM 0 HH12 ARG A 77 -11.387 4.547 -6.303 1.00 61.01 H new ATOM 0 HH21 ARG A 77 -11.564 4.902 -2.805 1.00 64.13 H new ATOM 0 HH22 ARG A 77 -12.432 5.030 -4.338 1.00 64.13 H new ATOM 1278 N ILE A 78 -3.193 1.224 -5.049 1.00 70.21 N ATOM 1279 CA ILE A 78 -1.786 1.215 -5.550 1.00 55.12 C ATOM 1280 C ILE A 78 -1.719 0.521 -6.919 1.00 60.43 C ATOM 1281 O ILE A 78 -0.982 0.947 -7.809 1.00 64.12 O ATOM 1282 CB ILE A 78 -0.744 0.553 -4.543 1.00 0.25 C ATOM 1283 CG1 ILE A 78 -1.025 -0.970 -4.306 1.00 73.24 C ATOM 1284 CG2 ILE A 78 -0.711 1.321 -3.201 1.00 2.21 C ATOM 1285 CD1 ILE A 78 -0.048 -1.679 -3.369 1.00 71.33 C ATOM 0 H ILE A 78 -3.343 0.668 -4.207 1.00 70.21 H new ATOM 0 HA ILE A 78 -1.490 2.260 -5.643 1.00 55.12 H new ATOM 0 HB ILE A 78 0.238 0.626 -5.011 1.00 0.25 H new ATOM 0 HG12 ILE A 78 -2.032 -1.078 -3.903 1.00 73.24 H new ATOM 0 HG13 ILE A 78 -1.012 -1.479 -5.270 1.00 73.24 H new ATOM 0 HG21 ILE A 78 0.008 0.850 -2.530 1.00 2.21 H new ATOM 0 HG22 ILE A 78 -0.416 2.355 -3.381 1.00 2.21 H new ATOM 0 HG23 ILE A 78 -1.701 1.300 -2.745 1.00 2.21 H new ATOM 0 HD11 ILE A 78 -0.331 -2.727 -3.273 1.00 71.33 H new ATOM 0 HD12 ILE A 78 0.961 -1.612 -3.777 1.00 71.33 H new ATOM 0 HD13 ILE A 78 -0.075 -1.205 -2.388 1.00 71.33 H new ATOM 1297 N GLU A 79 -2.540 -0.527 -7.064 1.00 32.32 N ATOM 1298 CA GLU A 79 -2.694 -1.275 -8.312 1.00 71.40 C ATOM 1299 C GLU A 79 -3.327 -0.371 -9.385 1.00 20.23 C ATOM 1300 O GLU A 79 -2.777 -0.215 -10.466 1.00 72.32 O ATOM 1301 CB GLU A 79 -3.543 -2.546 -8.010 1.00 31.25 C ATOM 1302 CG GLU A 79 -3.704 -3.573 -9.157 1.00 44.25 C ATOM 1303 CD GLU A 79 -4.904 -3.311 -10.090 1.00 51.20 C ATOM 1304 OE1 GLU A 79 -6.035 -3.702 -9.737 1.00 15.13 O ATOM 1305 OE2 GLU A 79 -4.721 -2.731 -11.180 1.00 31.12 O ATOM 0 H GLU A 79 -3.123 -0.882 -6.306 1.00 32.32 H new ATOM 0 HA GLU A 79 -1.730 -1.595 -8.708 1.00 71.40 H new ATOM 0 HB2 GLU A 79 -3.096 -3.057 -7.158 1.00 31.25 H new ATOM 0 HB3 GLU A 79 -4.538 -2.224 -7.702 1.00 31.25 H new ATOM 0 HG2 GLU A 79 -2.791 -3.578 -9.753 1.00 44.25 H new ATOM 0 HG3 GLU A 79 -3.808 -4.568 -8.724 1.00 44.25 H new ATOM 1312 N GLU A 80 -4.446 0.274 -9.028 1.00 33.41 N ATOM 1313 CA GLU A 80 -5.238 1.130 -9.941 1.00 2.10 C ATOM 1314 C GLU A 80 -4.419 2.314 -10.500 1.00 13.02 C ATOM 1315 O GLU A 80 -4.409 2.563 -11.716 1.00 22.42 O ATOM 1316 CB GLU A 80 -6.494 1.632 -9.162 1.00 10.23 C ATOM 1317 CG GLU A 80 -7.371 2.682 -9.871 1.00 64.04 C ATOM 1318 CD GLU A 80 -8.634 3.069 -9.078 1.00 12.41 C ATOM 1319 OE1 GLU A 80 -8.514 3.478 -7.901 1.00 12.12 O ATOM 1320 OE2 GLU A 80 -9.754 3.011 -9.641 1.00 51.01 O ATOM 0 H GLU A 80 -4.837 0.220 -8.087 1.00 33.41 H new ATOM 0 HA GLU A 80 -5.538 0.542 -10.809 1.00 2.10 H new ATOM 0 HB2 GLU A 80 -7.117 0.769 -8.928 1.00 10.23 H new ATOM 0 HB3 GLU A 80 -6.161 2.051 -8.212 1.00 10.23 H new ATOM 0 HG2 GLU A 80 -6.777 3.578 -10.051 1.00 64.04 H new ATOM 0 HG3 GLU A 80 -7.669 2.296 -10.846 1.00 64.04 H new ATOM 1327 N GLU A 81 -3.706 3.013 -9.610 1.00 11.24 N ATOM 1328 CA GLU A 81 -3.020 4.274 -9.944 1.00 40.30 C ATOM 1329 C GLU A 81 -1.644 4.054 -10.595 1.00 11.00 C ATOM 1330 O GLU A 81 -1.240 4.845 -11.456 1.00 71.32 O ATOM 1331 CB GLU A 81 -2.865 5.132 -8.675 1.00 61.34 C ATOM 1332 CG GLU A 81 -4.186 5.630 -8.062 1.00 71.34 C ATOM 1333 CD GLU A 81 -4.974 6.560 -8.997 1.00 24.21 C ATOM 1334 OE1 GLU A 81 -4.470 7.662 -9.319 1.00 65.35 O ATOM 1335 OE2 GLU A 81 -6.099 6.202 -9.413 1.00 74.42 O ATOM 0 H GLU A 81 -3.586 2.725 -8.639 1.00 11.24 H new ATOM 0 HA GLU A 81 -3.639 4.790 -10.678 1.00 40.30 H new ATOM 0 HB2 GLU A 81 -2.330 4.550 -7.924 1.00 61.34 H new ATOM 0 HB3 GLU A 81 -2.243 5.995 -8.912 1.00 61.34 H new ATOM 0 HG2 GLU A 81 -4.807 4.771 -7.806 1.00 71.34 H new ATOM 0 HG3 GLU A 81 -3.972 6.157 -7.132 1.00 71.34 H new ATOM 1342 N LEU A 82 -0.903 3.013 -10.162 1.00 35.25 N ATOM 1343 CA LEU A 82 0.434 2.725 -10.721 1.00 55.44 C ATOM 1344 C LEU A 82 0.268 2.112 -12.118 1.00 51.02 C ATOM 1345 O LEU A 82 0.881 2.571 -13.088 1.00 72.54 O ATOM 1346 CB LEU A 82 1.251 1.776 -9.789 1.00 11.11 C ATOM 1347 CG LEU A 82 2.814 1.933 -9.778 1.00 42.04 C ATOM 1348 CD1 LEU A 82 3.478 0.834 -8.933 1.00 71.14 C ATOM 1349 CD2 LEU A 82 3.436 1.968 -11.192 1.00 2.42 C ATOM 0 H LEU A 82 -1.204 2.364 -9.435 1.00 35.25 H new ATOM 0 HA LEU A 82 0.995 3.656 -10.796 1.00 55.44 H new ATOM 0 HB2 LEU A 82 0.892 1.917 -8.769 1.00 11.11 H new ATOM 0 HB3 LEU A 82 1.019 0.749 -10.070 1.00 11.11 H new ATOM 0 HG LEU A 82 3.010 2.903 -9.322 1.00 42.04 H new ATOM 0 HD11 LEU A 82 4.559 0.969 -8.945 1.00 71.14 H new ATOM 0 HD12 LEU A 82 3.116 0.895 -7.907 1.00 71.14 H new ATOM 0 HD13 LEU A 82 3.230 -0.143 -9.347 1.00 71.14 H new ATOM 0 HD21 LEU A 82 4.517 2.078 -11.111 1.00 2.42 H new ATOM 0 HD22 LEU A 82 3.204 1.040 -11.715 1.00 2.42 H new ATOM 0 HD23 LEU A 82 3.026 2.811 -11.749 1.00 2.42 H new ATOM 1361 N ARG A 83 -0.599 1.084 -12.206 1.00 2.12 N ATOM 1362 CA ARG A 83 -0.834 0.339 -13.453 1.00 55.20 C ATOM 1363 C ARG A 83 -1.553 1.183 -14.517 1.00 31.44 C ATOM 1364 O ARG A 83 -1.609 0.791 -15.684 1.00 15.13 O ATOM 1365 CB ARG A 83 -1.575 -0.987 -13.171 1.00 45.30 C ATOM 1366 CG ARG A 83 -0.764 -1.966 -12.288 1.00 23.41 C ATOM 1367 CD ARG A 83 -1.460 -3.312 -12.083 1.00 53.04 C ATOM 1368 NE ARG A 83 -1.540 -4.090 -13.327 1.00 4.51 N ATOM 1369 CZ ARG A 83 -2.618 -4.746 -13.781 1.00 21.53 C ATOM 1370 NH1 ARG A 83 -3.764 -4.735 -13.106 1.00 62.34 N ATOM 1371 NH2 ARG A 83 -2.538 -5.420 -14.920 1.00 74.00 N ATOM 0 H ARG A 83 -1.152 0.750 -11.417 1.00 2.12 H new ATOM 0 HA ARG A 83 0.142 0.095 -13.871 1.00 55.20 H new ATOM 0 HB2 ARG A 83 -2.524 -0.768 -12.681 1.00 45.30 H new ATOM 0 HB3 ARG A 83 -1.810 -1.472 -14.118 1.00 45.30 H new ATOM 0 HG2 ARG A 83 0.211 -2.135 -12.745 1.00 23.41 H new ATOM 0 HG3 ARG A 83 -0.585 -1.505 -11.316 1.00 23.41 H new ATOM 0 HD2 ARG A 83 -0.921 -3.887 -11.331 1.00 53.04 H new ATOM 0 HD3 ARG A 83 -2.465 -3.144 -11.696 1.00 53.04 H new ATOM 0 HE ARG A 83 -0.697 -4.135 -13.899 1.00 4.51 H new ATOM 0 HH11 ARG A 83 -3.833 -4.222 -12.227 1.00 62.34 H new ATOM 0 HH12 ARG A 83 -4.573 -5.240 -13.467 1.00 62.34 H new ATOM 0 HH21 ARG A 83 -1.662 -5.436 -15.442 1.00 74.00 H new ATOM 0 HH22 ARG A 83 -3.352 -5.922 -15.274 1.00 74.00 H new ATOM 1385 N LYS A 84 -2.072 2.349 -14.097 1.00 41.32 N ATOM 1386 CA LYS A 84 -2.560 3.402 -14.989 1.00 12.40 C ATOM 1387 C LYS A 84 -1.437 3.879 -15.949 1.00 4.12 C ATOM 1388 O LYS A 84 -1.687 4.167 -17.124 1.00 24.41 O ATOM 1389 CB LYS A 84 -3.068 4.561 -14.098 1.00 44.12 C ATOM 1390 CG LYS A 84 -3.724 5.725 -14.843 1.00 75.12 C ATOM 1391 CD LYS A 84 -4.183 6.862 -13.896 1.00 41.10 C ATOM 1392 CE LYS A 84 -5.215 6.397 -12.853 1.00 42.44 C ATOM 1393 NZ LYS A 84 -5.687 7.518 -11.996 1.00 22.35 N ATOM 0 H LYS A 84 -2.164 2.586 -13.109 1.00 41.32 H new ATOM 0 HA LYS A 84 -3.368 3.028 -15.618 1.00 12.40 H new ATOM 0 HB2 LYS A 84 -3.786 4.159 -13.383 1.00 44.12 H new ATOM 0 HB3 LYS A 84 -2.228 4.948 -13.522 1.00 44.12 H new ATOM 0 HG2 LYS A 84 -3.020 6.127 -15.571 1.00 75.12 H new ATOM 0 HG3 LYS A 84 -4.584 5.355 -15.402 1.00 75.12 H new ATOM 0 HD2 LYS A 84 -3.314 7.272 -13.381 1.00 41.10 H new ATOM 0 HD3 LYS A 84 -4.612 7.670 -14.489 1.00 41.10 H new ATOM 0 HE2 LYS A 84 -6.067 5.947 -13.362 1.00 42.44 H new ATOM 0 HE3 LYS A 84 -4.773 5.623 -12.226 1.00 42.44 H new ATOM 0 HZ1 LYS A 84 -6.113 7.136 -11.128 1.00 22.35 H new ATOM 0 HZ2 LYS A 84 -4.882 8.128 -11.747 1.00 22.35 H new ATOM 0 HZ3 LYS A 84 -6.397 8.075 -12.513 1.00 22.35 H new ATOM 1407 N ARG A 85 -0.198 3.938 -15.426 1.00 62.43 N ATOM 1408 CA ARG A 85 1.008 4.270 -16.217 1.00 34.03 C ATOM 1409 C ARG A 85 1.777 2.992 -16.622 1.00 30.15 C ATOM 1410 O ARG A 85 2.378 2.936 -17.702 1.00 52.30 O ATOM 1411 CB ARG A 85 1.946 5.214 -15.402 1.00 4.15 C ATOM 1412 CG ARG A 85 3.309 5.507 -16.082 1.00 35.12 C ATOM 1413 CD ARG A 85 4.165 6.527 -15.326 1.00 2.01 C ATOM 1414 NE ARG A 85 3.544 7.861 -15.293 1.00 15.21 N ATOM 1415 CZ ARG A 85 4.046 8.977 -15.857 1.00 55.12 C ATOM 1416 NH1 ARG A 85 5.209 8.959 -16.516 1.00 2.34 N ATOM 1417 NH2 ARG A 85 3.378 10.116 -15.752 1.00 52.23 N ATOM 0 H ARG A 85 -0.002 3.757 -14.442 1.00 62.43 H new ATOM 0 HA ARG A 85 0.684 4.780 -17.124 1.00 34.03 H new ATOM 0 HB2 ARG A 85 1.430 6.158 -15.229 1.00 4.15 H new ATOM 0 HB3 ARG A 85 2.130 4.768 -14.425 1.00 4.15 H new ATOM 0 HG2 ARG A 85 3.867 4.575 -16.175 1.00 35.12 H new ATOM 0 HG3 ARG A 85 3.130 5.874 -17.093 1.00 35.12 H new ATOM 0 HD2 ARG A 85 4.326 6.178 -14.306 1.00 2.01 H new ATOM 0 HD3 ARG A 85 5.145 6.596 -15.798 1.00 2.01 H new ATOM 0 HE ARG A 85 2.655 7.948 -14.800 1.00 15.21 H new ATOM 0 HH11 ARG A 85 5.735 8.089 -16.599 1.00 2.34 H new ATOM 0 HH12 ARG A 85 5.571 9.815 -16.935 1.00 2.34 H new ATOM 0 HH21 ARG A 85 2.492 10.143 -15.248 1.00 52.23 H new ATOM 0 HH22 ARG A 85 3.750 10.966 -16.176 1.00 52.23 H new ATOM 1431 N ASP A 86 1.715 1.953 -15.771 1.00 63.43 N ATOM 1432 CA ASP A 86 2.607 0.780 -15.869 1.00 5.04 C ATOM 1433 C ASP A 86 1.770 -0.527 -15.728 1.00 72.13 C ATOM 1434 O ASP A 86 1.693 -1.092 -14.639 1.00 22.12 O ATOM 1435 CB ASP A 86 3.701 0.881 -14.762 1.00 4.14 C ATOM 1436 CG ASP A 86 4.910 -0.053 -14.968 1.00 25.22 C ATOM 1437 OD1 ASP A 86 4.766 -1.287 -14.842 1.00 51.35 O ATOM 1438 OD2 ASP A 86 6.019 0.452 -15.269 1.00 63.50 O ATOM 0 H ASP A 86 1.050 1.901 -14.999 1.00 63.43 H new ATOM 0 HA ASP A 86 3.100 0.757 -16.841 1.00 5.04 H new ATOM 0 HB2 ASP A 86 4.057 1.910 -14.715 1.00 4.14 H new ATOM 0 HB3 ASP A 86 3.245 0.657 -13.798 1.00 4.14 H new ATOM 1443 N PRO A 87 1.100 -1.002 -16.831 1.00 32.22 N ATOM 1444 CA PRO A 87 0.205 -2.207 -16.821 1.00 62.23 C ATOM 1445 C PRO A 87 0.795 -3.488 -16.170 1.00 35.41 C ATOM 1446 O PRO A 87 0.045 -4.339 -15.693 1.00 32.04 O ATOM 1447 CB PRO A 87 -0.077 -2.444 -18.322 1.00 62.52 C ATOM 1448 CG PRO A 87 0.005 -1.075 -18.925 1.00 23.20 C ATOM 1449 CD PRO A 87 1.117 -0.373 -18.179 1.00 3.02 C ATOM 0 HA PRO A 87 -0.672 -2.013 -16.203 1.00 62.23 H new ATOM 0 HB2 PRO A 87 0.655 -3.120 -18.764 1.00 62.52 H new ATOM 0 HB3 PRO A 87 -1.059 -2.891 -18.478 1.00 62.52 H new ATOM 0 HG2 PRO A 87 0.220 -1.128 -19.992 1.00 23.20 H new ATOM 0 HG3 PRO A 87 -0.939 -0.541 -18.817 1.00 23.20 H new ATOM 0 HD2 PRO A 87 2.079 -0.513 -18.672 1.00 3.02 H new ATOM 0 HD3 PRO A 87 0.942 0.701 -18.120 1.00 3.02 H new ATOM 1457 N ASN A 88 2.135 -3.610 -16.143 1.00 45.31 N ATOM 1458 CA ASN A 88 2.827 -4.803 -15.597 1.00 33.33 C ATOM 1459 C ASN A 88 3.436 -4.530 -14.204 1.00 43.31 C ATOM 1460 O ASN A 88 4.321 -5.270 -13.759 1.00 32.41 O ATOM 1461 CB ASN A 88 3.913 -5.299 -16.597 1.00 14.02 C ATOM 1462 CG ASN A 88 3.310 -5.873 -17.884 1.00 70.04 C ATOM 1463 OD1 ASN A 88 3.097 -5.155 -18.862 1.00 24.01 O ATOM 1464 ND2 ASN A 88 3.035 -7.171 -17.902 1.00 50.41 N ATOM 0 H ASN A 88 2.769 -2.893 -16.495 1.00 45.31 H new ATOM 0 HA ASN A 88 2.084 -5.590 -15.468 1.00 33.33 H new ATOM 0 HB2 ASN A 88 4.576 -4.471 -16.848 1.00 14.02 H new ATOM 0 HB3 ASN A 88 4.525 -6.062 -16.115 1.00 14.02 H new ATOM 0 HD21 ASN A 88 2.638 -7.597 -18.739 1.00 50.41 H new ATOM 0 HD22 ASN A 88 3.221 -7.743 -17.078 1.00 50.41 H new ATOM 1471 N ALA A 89 2.927 -3.492 -13.509 1.00 60.32 N ATOM 1472 CA ALA A 89 3.316 -3.192 -12.118 1.00 5.21 C ATOM 1473 C ALA A 89 2.649 -4.196 -11.164 1.00 63.42 C ATOM 1474 O ALA A 89 1.593 -3.930 -10.576 1.00 34.13 O ATOM 1475 CB ALA A 89 2.974 -1.733 -11.759 1.00 12.42 C ATOM 0 H ALA A 89 2.240 -2.843 -13.894 1.00 60.32 H new ATOM 0 HA ALA A 89 4.396 -3.298 -12.013 1.00 5.21 H new ATOM 0 HB1 ALA A 89 3.269 -1.533 -10.729 1.00 12.42 H new ATOM 0 HB2 ALA A 89 3.510 -1.059 -12.427 1.00 12.42 H new ATOM 0 HB3 ALA A 89 1.901 -1.574 -11.866 1.00 12.42 H new ATOM 1481 N THR A 90 3.260 -5.382 -11.073 1.00 74.03 N ATOM 1482 CA THR A 90 2.733 -6.516 -10.309 1.00 62.23 C ATOM 1483 C THR A 90 3.170 -6.427 -8.841 1.00 71.43 C ATOM 1484 O THR A 90 4.366 -6.380 -8.540 1.00 55.43 O ATOM 1485 CB THR A 90 3.225 -7.848 -10.954 1.00 64.10 C ATOM 1486 OG1 THR A 90 2.858 -7.855 -12.345 1.00 50.32 O ATOM 1487 CG2 THR A 90 2.652 -9.101 -10.272 1.00 50.31 C ATOM 0 H THR A 90 4.147 -5.583 -11.535 1.00 74.03 H new ATOM 0 HA THR A 90 1.644 -6.491 -10.334 1.00 62.23 H new ATOM 0 HB THR A 90 4.307 -7.887 -10.828 1.00 64.10 H new ATOM 0 HG1 THR A 90 3.165 -8.688 -12.760 1.00 50.32 H new ATOM 0 HG21 THR A 90 3.034 -9.993 -10.769 1.00 50.31 H new ATOM 0 HG22 THR A 90 2.951 -9.114 -9.224 1.00 50.31 H new ATOM 0 HG23 THR A 90 1.564 -9.086 -10.339 1.00 50.31 H new ATOM 1495 N ILE A 91 2.180 -6.392 -7.938 1.00 3.02 N ATOM 1496 CA ILE A 91 2.415 -6.327 -6.487 1.00 11.22 C ATOM 1497 C ILE A 91 2.366 -7.756 -5.898 1.00 30.22 C ATOM 1498 O ILE A 91 1.422 -8.516 -6.150 1.00 11.53 O ATOM 1499 CB ILE A 91 1.401 -5.352 -5.737 1.00 54.31 C ATOM 1500 CG1 ILE A 91 -0.070 -5.897 -5.624 1.00 75.43 C ATOM 1501 CG2 ILE A 91 1.398 -3.952 -6.403 1.00 31.45 C ATOM 1502 CD1 ILE A 91 -0.854 -6.001 -6.925 1.00 50.23 C ATOM 0 H ILE A 91 1.192 -6.408 -8.192 1.00 3.02 H new ATOM 0 HA ILE A 91 3.405 -5.900 -6.326 1.00 11.22 H new ATOM 0 HB ILE A 91 1.773 -5.284 -4.715 1.00 54.31 H new ATOM 0 HG12 ILE A 91 -0.034 -6.886 -5.167 1.00 75.43 H new ATOM 0 HG13 ILE A 91 -0.623 -5.250 -4.943 1.00 75.43 H new ATOM 0 HG21 ILE A 91 0.700 -3.300 -5.877 1.00 31.45 H new ATOM 0 HG22 ILE A 91 2.399 -3.524 -6.356 1.00 31.45 H new ATOM 0 HG23 ILE A 91 1.092 -4.045 -7.445 1.00 31.45 H new ATOM 0 HD11 ILE A 91 -1.852 -6.388 -6.719 1.00 50.23 H new ATOM 0 HD12 ILE A 91 -0.935 -5.014 -7.381 1.00 50.23 H new ATOM 0 HD13 ILE A 91 -0.337 -6.675 -7.608 1.00 50.23 H new ATOM 1514 N THR A 92 3.411 -8.139 -5.161 1.00 22.01 N ATOM 1515 CA THR A 92 3.528 -9.483 -4.568 1.00 34.13 C ATOM 1516 C THR A 92 3.389 -9.360 -3.045 1.00 32.00 C ATOM 1517 O THR A 92 4.230 -8.737 -2.395 1.00 23.44 O ATOM 1518 CB THR A 92 4.889 -10.156 -4.967 1.00 15.32 C ATOM 1519 OG1 THR A 92 4.998 -10.169 -6.404 1.00 43.21 O ATOM 1520 CG2 THR A 92 5.008 -11.602 -4.438 1.00 22.20 C ATOM 0 H THR A 92 4.203 -7.530 -4.956 1.00 22.01 H new ATOM 0 HA THR A 92 2.734 -10.125 -4.951 1.00 34.13 H new ATOM 0 HB THR A 92 5.693 -9.574 -4.516 1.00 15.32 H new ATOM 0 HG1 THR A 92 5.846 -10.586 -6.664 1.00 43.21 H new ATOM 0 HG21 THR A 92 5.967 -12.023 -4.741 1.00 22.20 H new ATOM 0 HG22 THR A 92 4.941 -11.598 -3.350 1.00 22.20 H new ATOM 0 HG23 THR A 92 4.200 -12.207 -4.849 1.00 22.20 H new ATOM 1528 N ARG A 93 2.303 -9.918 -2.491 1.00 21.42 N ATOM 1529 CA ARG A 93 1.936 -9.724 -1.083 1.00 42.44 C ATOM 1530 C ARG A 93 2.382 -10.924 -0.220 1.00 53.13 C ATOM 1531 O ARG A 93 2.090 -12.077 -0.546 1.00 74.44 O ATOM 1532 CB ARG A 93 0.408 -9.497 -0.963 1.00 64.23 C ATOM 1533 CG ARG A 93 -0.054 -9.176 0.469 1.00 41.03 C ATOM 1534 CD ARG A 93 -1.535 -8.792 0.576 1.00 23.43 C ATOM 1535 NE ARG A 93 -2.431 -9.912 0.249 1.00 54.51 N ATOM 1536 CZ ARG A 93 -3.305 -9.925 -0.763 1.00 42.21 C ATOM 1537 NH1 ARG A 93 -3.411 -8.875 -1.583 1.00 71.11 N ATOM 1538 NH2 ARG A 93 -4.085 -10.986 -0.946 1.00 70.33 N ATOM 0 H ARG A 93 1.656 -10.515 -3.006 1.00 21.42 H new ATOM 0 HA ARG A 93 2.454 -8.841 -0.709 1.00 42.44 H new ATOM 0 HB2 ARG A 93 0.117 -8.679 -1.622 1.00 64.23 H new ATOM 0 HB3 ARG A 93 -0.112 -10.389 -1.313 1.00 64.23 H new ATOM 0 HG2 ARG A 93 0.133 -10.043 1.103 1.00 41.03 H new ATOM 0 HG3 ARG A 93 0.552 -8.359 0.860 1.00 41.03 H new ATOM 0 HD2 ARG A 93 -1.745 -8.446 1.588 1.00 23.43 H new ATOM 0 HD3 ARG A 93 -1.741 -7.958 -0.095 1.00 23.43 H new ATOM 0 HE ARG A 93 -2.382 -10.742 0.839 1.00 54.51 H new ATOM 0 HH11 ARG A 93 -2.822 -8.054 -1.440 1.00 71.11 H new ATOM 0 HH12 ARG A 93 -4.081 -8.894 -2.352 1.00 71.11 H new ATOM 0 HH21 ARG A 93 -4.015 -11.785 -0.316 1.00 70.33 H new ATOM 0 HH22 ARG A 93 -4.753 -11.001 -1.716 1.00 70.33 H new ATOM 1552 N THR A 94 3.102 -10.625 0.868 1.00 12.34 N ATOM 1553 CA THR A 94 3.522 -11.597 1.886 1.00 20.12 C ATOM 1554 C THR A 94 3.151 -11.030 3.263 1.00 0.11 C ATOM 1555 O THR A 94 3.556 -9.914 3.578 1.00 51.35 O ATOM 1556 CB THR A 94 5.071 -11.831 1.810 1.00 21.42 C ATOM 1557 OG1 THR A 94 5.439 -12.285 0.493 1.00 15.13 O ATOM 1558 CG2 THR A 94 5.561 -12.843 2.857 1.00 21.03 C ATOM 0 H THR A 94 3.417 -9.676 1.070 1.00 12.34 H new ATOM 0 HA THR A 94 3.024 -12.552 1.717 1.00 20.12 H new ATOM 0 HB THR A 94 5.550 -10.875 2.023 1.00 21.42 H new ATOM 0 HG1 THR A 94 6.408 -12.427 0.455 1.00 15.13 H new ATOM 0 HG21 THR A 94 6.639 -12.970 2.763 1.00 21.03 H new ATOM 0 HG22 THR A 94 5.324 -12.477 3.856 1.00 21.03 H new ATOM 0 HG23 THR A 94 5.067 -13.801 2.696 1.00 21.03 H new ATOM 1566 N VAL A 95 2.372 -11.768 4.072 1.00 11.25 N ATOM 1567 CA VAL A 95 2.028 -11.319 5.437 1.00 61.32 C ATOM 1568 C VAL A 95 3.244 -11.505 6.374 1.00 73.41 C ATOM 1569 O VAL A 95 3.959 -12.515 6.297 1.00 52.53 O ATOM 1570 CB VAL A 95 0.760 -12.061 6.020 1.00 52.13 C ATOM 1571 CG1 VAL A 95 0.967 -13.588 6.123 1.00 62.23 C ATOM 1572 CG2 VAL A 95 0.325 -11.457 7.383 1.00 13.44 C ATOM 0 H VAL A 95 1.971 -12.669 3.811 1.00 11.25 H new ATOM 0 HA VAL A 95 1.771 -10.261 5.377 1.00 61.32 H new ATOM 0 HB VAL A 95 -0.050 -11.900 5.309 1.00 52.13 H new ATOM 0 HG11 VAL A 95 0.067 -14.051 6.529 1.00 62.23 H new ATOM 0 HG12 VAL A 95 1.169 -13.995 5.132 1.00 62.23 H new ATOM 0 HG13 VAL A 95 1.811 -13.797 6.780 1.00 62.23 H new ATOM 0 HG21 VAL A 95 -0.549 -11.991 7.755 1.00 13.44 H new ATOM 0 HG22 VAL A 95 1.140 -11.552 8.100 1.00 13.44 H new ATOM 0 HG23 VAL A 95 0.078 -10.403 7.252 1.00 13.44 H new ATOM 1582 N ARG A 96 3.488 -10.500 7.218 1.00 13.12 N ATOM 1583 CA ARG A 96 4.520 -10.549 8.257 1.00 2.33 C ATOM 1584 C ARG A 96 3.919 -10.028 9.570 1.00 31.13 C ATOM 1585 O ARG A 96 3.261 -9.000 9.592 1.00 23.25 O ATOM 1586 CB ARG A 96 5.771 -9.719 7.841 1.00 11.02 C ATOM 1587 CG ARG A 96 6.926 -9.734 8.876 1.00 43.11 C ATOM 1588 CD ARG A 96 7.375 -11.164 9.258 1.00 65.11 C ATOM 1589 NE ARG A 96 8.466 -11.165 10.251 1.00 43.10 N ATOM 1590 CZ ARG A 96 8.584 -12.027 11.281 1.00 63.43 C ATOM 1591 NH1 ARG A 96 7.676 -12.987 11.480 1.00 21.35 N ATOM 1592 NH2 ARG A 96 9.628 -11.929 12.101 1.00 42.45 N ATOM 0 H ARG A 96 2.970 -9.621 7.200 1.00 13.12 H new ATOM 0 HA ARG A 96 4.853 -11.578 8.394 1.00 2.33 H new ATOM 0 HB2 ARG A 96 6.146 -10.101 6.892 1.00 11.02 H new ATOM 0 HB3 ARG A 96 5.466 -8.686 7.671 1.00 11.02 H new ATOM 0 HG2 ARG A 96 7.778 -9.188 8.470 1.00 43.11 H new ATOM 0 HG3 ARG A 96 6.608 -9.206 9.775 1.00 43.11 H new ATOM 0 HD2 ARG A 96 6.523 -11.715 9.658 1.00 65.11 H new ATOM 0 HD3 ARG A 96 7.703 -11.690 8.362 1.00 65.11 H new ATOM 0 HE ARG A 96 9.191 -10.455 10.150 1.00 43.10 H new ATOM 0 HH11 ARG A 96 6.880 -13.075 10.848 1.00 21.35 H new ATOM 0 HH12 ARG A 96 7.779 -13.632 12.264 1.00 21.35 H new ATOM 0 HH21 ARG A 96 10.331 -11.206 11.948 1.00 42.45 H new ATOM 0 HH22 ARG A 96 9.725 -12.577 12.883 1.00 42.45 H new ATOM 1606 N THR A 97 4.147 -10.759 10.658 1.00 71.42 N ATOM 1607 CA THR A 97 3.635 -10.406 11.983 1.00 53.52 C ATOM 1608 C THR A 97 4.383 -11.218 13.046 1.00 3.23 C ATOM 1609 O THR A 97 5.113 -12.166 12.715 1.00 14.33 O ATOM 1610 CB THR A 97 2.072 -10.617 12.089 1.00 32.44 C ATOM 1611 OG1 THR A 97 1.584 -10.205 13.383 1.00 61.52 O ATOM 1612 CG2 THR A 97 1.656 -12.075 11.811 1.00 34.14 C ATOM 0 H THR A 97 4.696 -11.619 10.647 1.00 71.42 H new ATOM 0 HA THR A 97 3.812 -9.344 12.153 1.00 53.52 H new ATOM 0 HB THR A 97 1.620 -9.992 11.319 1.00 32.44 H new ATOM 0 HG1 THR A 97 0.615 -10.343 13.426 1.00 61.52 H new ATOM 0 HG21 THR A 97 0.573 -12.167 11.896 1.00 34.14 H new ATOM 0 HG22 THR A 97 1.966 -12.356 10.805 1.00 34.14 H new ATOM 0 HG23 THR A 97 2.134 -12.734 12.535 1.00 34.14 H new