USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 811 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 71 HIS : no HE2:sc= 0.138 K(o=1.1,f=-1.5) USER MOD Set 1.2: B 13 SER OG : rot 89:sc= 0.935 USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= 2.45 (180deg=1.72) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.872 K(o=0.87,f=-7.6!) USER MOD Single : A 16 ASN : amide:sc= -0.213 K(o=-0.21,f=-4!) USER MOD Single : A 17 SER OG : rot 179:sc= 0 USER MOD Single : A 21 SER OG : rot -42:sc= 1.07 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.14) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -80:sc= 0.406 USER MOD Single : A 32 HIS : no HD1:sc= -0.57 X(o=-0.57,f=-0.29) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.14) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 77 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 81 THR OG1 : rot 175:sc= -0.0437 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.571 K(o=-0.57,f=-0.0024) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot -72:sc= 0.826 USER MOD Single : A 96 THR OG1 : rot 43:sc= 0.395 USER MOD Single : B 1 PHE N :NH3+ 158:sc= 0.13 (180deg=0.0414) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.096) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.499 6.818 -19.019 1.00 0.00 N ATOM 2 CA PRO A 1 -11.566 5.599 -18.174 1.00 0.00 C ATOM 3 C PRO A 1 -12.733 5.701 -17.252 1.00 0.00 C ATOM 4 O PRO A 1 -13.550 6.606 -17.407 1.00 0.00 O ATOM 5 CB PRO A 1 -10.217 5.640 -17.460 1.00 0.00 C ATOM 6 CG PRO A 1 -9.242 6.091 -18.559 1.00 0.00 C ATOM 7 CD PRO A 1 -10.070 7.063 -19.414 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.866 7.621 -18.508 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.079 6.703 -19.850 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.716 4.659 -18.705 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.228 6.337 -16.622 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.946 4.664 -17.059 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.363 6.579 -18.137 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.885 5.246 -19.148 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -9.781 8.097 -19.225 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.919 6.879 -20.478 1.00 0.00 H new ATOM 17 N LYS A 2 -12.835 4.808 -16.251 1.00 0.00 N ATOM 18 CA LYS A 2 -13.816 4.872 -15.212 1.00 0.00 C ATOM 19 C LYS A 2 -13.443 5.900 -14.199 1.00 0.00 C ATOM 20 O LYS A 2 -12.284 6.309 -14.204 1.00 0.00 O ATOM 21 CB LYS A 2 -13.996 3.478 -14.592 1.00 0.00 C ATOM 22 CG LYS A 2 -12.812 2.896 -13.815 1.00 0.00 C ATOM 23 CD LYS A 2 -13.110 1.461 -13.378 1.00 0.00 C ATOM 24 CE LYS A 2 -11.973 0.704 -12.690 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.776 1.193 -11.307 1.00 0.00 N ATOM 0 H LYS A 2 -12.208 4.008 -16.162 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.775 5.179 -15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.854 3.516 -13.921 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.248 2.783 -15.393 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.917 2.914 -14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.605 3.513 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.964 1.482 -12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.414 0.893 -14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.197 -0.363 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.051 0.828 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.308 0.456 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.183 2.047 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.699 1.420 -10.884 1.00 0.00 H new ATOM 39 N PRO A 3 -14.268 6.407 -13.331 1.00 0.00 N ATOM 40 CA PRO A 3 -13.915 7.543 -12.530 1.00 0.00 C ATOM 41 C PRO A 3 -12.957 7.228 -11.434 1.00 0.00 C ATOM 42 O PRO A 3 -12.370 8.149 -10.867 1.00 0.00 O ATOM 43 CB PRO A 3 -15.238 8.084 -11.993 1.00 0.00 C ATOM 44 CG PRO A 3 -16.221 6.907 -12.095 1.00 0.00 C ATOM 45 CD PRO A 3 -15.704 6.178 -13.346 1.00 0.00 C ATOM 0 HA PRO A 3 -13.382 8.280 -13.131 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.136 8.424 -10.963 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.582 8.937 -12.578 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.192 6.272 -11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.251 7.243 -12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.937 5.114 -13.310 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.160 6.574 -14.253 1.00 0.00 H new ATOM 53 N GLY A 4 -12.763 5.941 -11.099 1.00 0.00 N ATOM 54 CA GLY A 4 -11.687 5.485 -10.273 1.00 0.00 C ATOM 55 C GLY A 4 -10.637 4.795 -11.074 1.00 0.00 C ATOM 56 O GLY A 4 -10.539 3.568 -11.035 1.00 0.00 O ATOM 0 H GLY A 4 -13.377 5.190 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.247 6.332 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.073 4.804 -9.514 1.00 0.00 H new ATOM 60 N ASP A 5 -9.846 5.520 -11.883 1.00 0.00 N ATOM 61 CA ASP A 5 -8.835 4.964 -12.727 1.00 0.00 C ATOM 62 C ASP A 5 -7.523 4.683 -12.080 1.00 0.00 C ATOM 63 O ASP A 5 -7.284 5.013 -10.918 1.00 0.00 O ATOM 64 CB ASP A 5 -8.752 5.780 -14.028 1.00 0.00 C ATOM 65 CG ASP A 5 -8.333 7.231 -13.837 1.00 0.00 C ATOM 66 OD1 ASP A 5 -9.064 7.999 -13.156 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.297 7.633 -14.431 1.00 0.00 O ATOM 0 H ASP A 5 -9.913 6.535 -11.952 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.150 3.951 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.044 5.296 -14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.725 5.758 -14.519 1.00 0.00 H new ATOM 72 N ILE A 6 -6.609 4.005 -12.796 1.00 0.00 N ATOM 73 CA ILE A 6 -5.308 3.641 -12.328 1.00 0.00 C ATOM 74 C ILE A 6 -4.317 4.714 -12.620 1.00 0.00 C ATOM 75 O ILE A 6 -4.228 5.199 -13.747 1.00 0.00 O ATOM 76 CB ILE A 6 -4.811 2.349 -12.907 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.751 1.168 -12.610 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.416 1.989 -12.369 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.814 0.913 -13.677 1.00 0.00 C ATOM 0 H ILE A 6 -6.787 3.695 -13.751 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.411 3.506 -11.251 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.770 2.512 -13.984 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.152 0.265 -12.491 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.248 1.348 -11.657 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.088 1.048 -12.810 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.710 2.778 -12.631 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.460 1.886 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.429 0.063 -13.382 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.443 1.797 -13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.329 0.697 -14.629 1.00 0.00 H new ATOM 91 N PHE A 7 -3.490 5.108 -11.634 1.00 0.00 N ATOM 92 CA PHE A 7 -2.457 6.083 -11.802 1.00 0.00 C ATOM 93 C PHE A 7 -1.167 5.631 -11.210 1.00 0.00 C ATOM 94 O PHE A 7 -1.102 4.700 -10.409 1.00 0.00 O ATOM 95 CB PHE A 7 -2.867 7.488 -11.329 1.00 0.00 C ATOM 96 CG PHE A 7 -2.987 7.663 -9.854 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.977 7.024 -9.146 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.124 8.498 -9.186 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.101 7.206 -7.788 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.233 8.685 -7.828 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.219 8.030 -7.129 1.00 0.00 C ATOM 0 H PHE A 7 -3.543 4.734 -10.686 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.297 6.177 -12.876 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.136 8.205 -11.703 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.824 7.740 -11.786 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.666 6.371 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.350 9.014 -9.735 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.887 6.705 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.548 9.343 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.301 8.163 -6.060 1.00 0.00 H new ATOM 111 N GLU A 8 -0.059 6.270 -11.628 1.00 0.00 N ATOM 112 CA GLU A 8 1.264 6.013 -11.147 1.00 0.00 C ATOM 113 C GLU A 8 1.761 7.151 -10.322 1.00 0.00 C ATOM 114 O GLU A 8 1.615 8.320 -10.677 1.00 0.00 O ATOM 115 CB GLU A 8 2.210 5.707 -12.319 1.00 0.00 C ATOM 116 CG GLU A 8 2.577 6.902 -13.202 1.00 0.00 C ATOM 117 CD GLU A 8 2.808 6.552 -14.665 1.00 0.00 C ATOM 118 OE1 GLU A 8 1.817 6.591 -15.443 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.967 6.289 -15.082 1.00 0.00 O ATOM 0 H GLU A 8 -0.088 7.003 -12.337 1.00 0.00 H new ATOM 0 HA GLU A 8 1.235 5.134 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.129 5.278 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.748 4.944 -12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.780 7.643 -13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.479 7.369 -12.805 1.00 0.00 H new ATOM 126 N VAL A 9 2.368 6.862 -9.157 1.00 0.00 N ATOM 127 CA VAL A 9 3.173 7.807 -8.447 1.00 0.00 C ATOM 128 C VAL A 9 4.625 7.523 -8.629 1.00 0.00 C ATOM 129 O VAL A 9 5.058 6.385 -8.801 1.00 0.00 O ATOM 130 CB VAL A 9 2.841 7.970 -6.994 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.382 8.436 -6.850 1.00 0.00 C ATOM 132 CG2 VAL A 9 3.069 6.681 -6.187 1.00 0.00 C ATOM 0 H VAL A 9 2.298 5.953 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 9 2.928 8.767 -8.900 1.00 0.00 H new ATOM 0 HB VAL A 9 3.516 8.721 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.140 8.555 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.253 9.390 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.718 7.694 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.813 6.856 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.440 5.886 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.116 6.387 -6.260 1.00 0.00 H new ATOM 142 N GLU A 10 5.441 8.592 -8.600 1.00 0.00 N ATOM 143 CA GLU A 10 6.866 8.524 -8.496 1.00 0.00 C ATOM 144 C GLU A 10 7.224 9.475 -7.407 1.00 0.00 C ATOM 145 O GLU A 10 7.142 10.688 -7.599 1.00 0.00 O ATOM 146 CB GLU A 10 7.594 8.956 -9.781 1.00 0.00 C ATOM 147 CG GLU A 10 7.061 8.295 -11.054 1.00 0.00 C ATOM 148 CD GLU A 10 7.932 8.565 -12.273 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.113 8.986 -12.141 1.00 0.00 O ATOM 150 OE2 GLU A 10 7.427 8.329 -13.402 1.00 0.00 O ATOM 0 H GLU A 10 5.091 9.549 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 10 7.167 7.494 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.513 10.038 -9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.654 8.724 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.990 7.219 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.051 8.656 -11.249 1.00 0.00 H new ATOM 157 N LEU A 11 7.597 8.990 -6.211 1.00 0.00 N ATOM 158 CA LEU A 11 7.958 9.845 -5.123 1.00 0.00 C ATOM 159 C LEU A 11 9.206 9.317 -4.504 1.00 0.00 C ATOM 160 O LEU A 11 9.784 8.333 -4.965 1.00 0.00 O ATOM 161 CB LEU A 11 6.787 9.996 -4.138 1.00 0.00 C ATOM 162 CG LEU A 11 6.748 11.270 -3.277 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.767 12.561 -4.114 1.00 0.00 C ATOM 164 CD2 LEU A 11 5.492 11.278 -2.390 1.00 0.00 C ATOM 0 H LEU A 11 7.649 7.994 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 11 8.167 10.856 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.859 9.945 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.797 9.136 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 11 7.651 11.252 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.738 13.425 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.678 12.593 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.899 12.580 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.478 12.186 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.602 11.247 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.504 10.407 -1.735 1.00 0.00 H new ATOM 176 N ALA A 12 9.719 9.967 -3.445 1.00 0.00 N ATOM 177 CA ALA A 12 10.905 9.515 -2.783 1.00 0.00 C ATOM 178 C ALA A 12 10.760 9.685 -1.311 1.00 0.00 C ATOM 179 O ALA A 12 9.794 10.262 -0.815 1.00 0.00 O ATOM 180 CB ALA A 12 12.128 10.285 -3.307 1.00 0.00 C ATOM 0 H ALA A 12 9.310 10.811 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 12 11.053 8.456 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.025 9.934 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.231 10.118 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.996 11.350 -3.117 1.00 0.00 H new ATOM 186 N LYS A 13 11.736 9.162 -0.548 1.00 0.00 N ATOM 187 CA LYS A 13 11.875 9.341 0.864 1.00 0.00 C ATOM 188 C LYS A 13 12.311 10.729 1.183 1.00 0.00 C ATOM 189 O LYS A 13 13.419 11.145 0.848 1.00 0.00 O ATOM 190 CB LYS A 13 12.869 8.298 1.404 1.00 0.00 C ATOM 191 CG LYS A 13 13.046 8.265 2.924 1.00 0.00 C ATOM 192 CD LYS A 13 13.720 6.970 3.379 1.00 0.00 C ATOM 193 CE LYS A 13 13.745 6.761 4.894 1.00 0.00 C ATOM 194 NZ LYS A 13 14.825 7.552 5.527 1.00 0.00 N ATOM 0 H LYS A 13 12.474 8.578 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 13 10.910 9.193 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.545 7.311 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.842 8.482 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.644 9.119 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.074 8.360 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.205 6.127 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.745 6.960 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.783 7.048 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.888 5.703 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.817 7.390 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.744 7.259 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.673 8.563 5.335 1.00 0.00 H new ATOM 208 N ASN A 14 11.425 11.519 1.815 1.00 0.00 N ATOM 209 CA ASN A 14 11.661 12.889 2.152 1.00 0.00 C ATOM 210 C ASN A 14 11.717 13.052 3.633 1.00 0.00 C ATOM 211 O ASN A 14 12.799 13.058 4.217 1.00 0.00 O ATOM 212 CB ASN A 14 10.681 13.840 1.444 1.00 0.00 C ATOM 213 CG ASN A 14 9.261 13.300 1.356 1.00 0.00 C ATOM 214 OD1 ASN A 14 8.594 13.069 2.364 1.00 0.00 O ATOM 215 ND2 ASN A 14 8.761 13.076 0.110 1.00 0.00 N ATOM 0 H ASN A 14 10.504 11.189 2.104 1.00 0.00 H new ATOM 0 HA ASN A 14 12.639 13.183 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.666 14.792 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.047 14.041 0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.816 12.710 -0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.332 13.275 -0.712 1.00 0.00 H new ATOM 222 N ASP A 15 10.566 13.181 4.316 1.00 0.00 N ATOM 223 CA ASP A 15 10.470 13.226 5.742 1.00 0.00 C ATOM 224 C ASP A 15 10.475 11.839 6.285 1.00 0.00 C ATOM 225 O ASP A 15 11.240 11.487 7.182 1.00 0.00 O ATOM 226 CB ASP A 15 9.206 14.008 6.134 1.00 0.00 C ATOM 227 CG ASP A 15 9.274 14.438 7.593 1.00 0.00 C ATOM 228 OD1 ASP A 15 8.880 13.635 8.479 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.745 15.569 7.889 1.00 0.00 O ATOM 0 H ASP A 15 9.661 13.257 3.853 1.00 0.00 H new ATOM 0 HA ASP A 15 11.327 13.744 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.101 14.885 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.324 13.389 5.972 1.00 0.00 H new ATOM 234 N ASN A 16 9.654 10.953 5.693 1.00 0.00 N ATOM 235 CA ASN A 16 9.723 9.543 5.921 1.00 0.00 C ATOM 236 C ASN A 16 9.559 8.910 4.583 1.00 0.00 C ATOM 237 O ASN A 16 9.568 9.600 3.564 1.00 0.00 O ATOM 238 CB ASN A 16 8.691 9.088 6.966 1.00 0.00 C ATOM 239 CG ASN A 16 9.105 7.787 7.640 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.082 7.150 7.247 1.00 0.00 O ATOM 241 ND2 ASN A 16 8.339 7.354 8.677 1.00 0.00 N ATOM 0 H ASN A 16 8.922 11.225 5.037 1.00 0.00 H new ATOM 0 HA ASN A 16 10.675 9.239 6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.570 9.866 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.721 8.956 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.569 6.480 9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.535 7.903 8.981 1.00 0.00 H new ATOM 248 N SER A 17 9.434 7.573 4.511 1.00 0.00 N ATOM 249 CA SER A 17 9.423 6.837 3.284 1.00 0.00 C ATOM 250 C SER A 17 8.064 6.815 2.674 1.00 0.00 C ATOM 251 O SER A 17 7.822 7.497 1.679 1.00 0.00 O ATOM 252 CB SER A 17 9.995 5.422 3.473 1.00 0.00 C ATOM 253 OG SER A 17 10.270 4.787 2.233 1.00 0.00 O ATOM 0 H SER A 17 9.337 6.982 5.337 1.00 0.00 H new ATOM 0 HA SER A 17 10.078 7.354 2.582 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.910 5.477 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.287 4.818 4.040 1.00 0.00 H new ATOM 0 HG SER A 17 10.654 3.900 2.398 1.00 0.00 H new ATOM 259 N LEU A 18 7.109 6.058 3.243 1.00 0.00 N ATOM 260 CA LEU A 18 5.762 6.014 2.764 1.00 0.00 C ATOM 261 C LEU A 18 4.875 6.838 3.633 1.00 0.00 C ATOM 262 O LEU A 18 4.630 8.007 3.339 1.00 0.00 O ATOM 263 CB LEU A 18 5.240 4.578 2.586 1.00 0.00 C ATOM 264 CG LEU A 18 5.756 3.840 1.339 1.00 0.00 C ATOM 265 CD1 LEU A 18 7.166 3.251 1.514 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.790 2.710 0.944 1.00 0.00 C ATOM 0 H LEU A 18 7.276 5.463 4.054 1.00 0.00 H new ATOM 0 HA LEU A 18 5.753 6.450 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.511 3.999 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.151 4.607 2.546 1.00 0.00 H new ATOM 0 HG LEU A 18 5.811 4.592 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.466 2.745 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.871 4.053 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.162 2.537 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.171 2.198 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.706 1.999 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.808 3.130 0.726 1.00 0.00 H new ATOM 278 N GLY A 19 4.373 6.282 4.750 1.00 0.00 N ATOM 279 CA GLY A 19 3.677 6.997 5.772 1.00 0.00 C ATOM 280 C GLY A 19 2.203 6.783 5.837 1.00 0.00 C ATOM 281 O GLY A 19 1.448 7.753 5.836 1.00 0.00 O ATOM 0 H GLY A 19 4.457 5.285 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.106 6.722 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.863 8.062 5.633 1.00 0.00 H new ATOM 285 N ILE A 20 1.726 5.530 5.935 1.00 0.00 N ATOM 286 CA ILE A 20 0.320 5.269 5.981 1.00 0.00 C ATOM 287 C ILE A 20 -0.023 4.167 6.922 1.00 0.00 C ATOM 288 O ILE A 20 0.849 3.550 7.533 1.00 0.00 O ATOM 289 CB ILE A 20 -0.228 5.159 4.589 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.262 6.272 4.349 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.753 3.777 4.164 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.523 6.528 2.866 1.00 0.00 C ATOM 0 H ILE A 20 2.313 4.697 5.982 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.201 6.118 6.423 1.00 0.00 H new ATOM 0 HB ILE A 20 0.631 5.293 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.199 6.003 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.913 7.193 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.122 3.827 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.054 3.047 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.564 3.476 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.261 7.323 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.594 6.826 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.900 5.618 2.401 1.00 0.00 H new ATOM 304 N SER A 21 -1.327 3.919 7.135 1.00 0.00 N ATOM 305 CA SER A 21 -1.843 2.834 7.912 1.00 0.00 C ATOM 306 C SER A 21 -2.758 2.010 7.072 1.00 0.00 C ATOM 307 O SER A 21 -3.547 2.532 6.287 1.00 0.00 O ATOM 308 CB SER A 21 -2.544 3.316 9.194 1.00 0.00 C ATOM 309 OG SER A 21 -3.624 4.205 8.954 1.00 0.00 O ATOM 0 H SER A 21 -2.062 4.508 6.744 1.00 0.00 H new ATOM 0 HA SER A 21 -1.003 2.219 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.913 2.450 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.813 3.811 9.833 1.00 0.00 H new ATOM 0 HG SER A 21 -3.371 4.846 8.257 1.00 0.00 H new ATOM 315 N VAL A 22 -2.635 0.674 7.157 1.00 0.00 N ATOM 316 CA VAL A 22 -3.169 -0.270 6.225 1.00 0.00 C ATOM 317 C VAL A 22 -4.061 -1.243 6.916 1.00 0.00 C ATOM 318 O VAL A 22 -3.789 -1.668 8.037 1.00 0.00 O ATOM 319 CB VAL A 22 -2.037 -0.990 5.554 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.409 -2.347 4.931 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.467 -0.075 4.458 1.00 0.00 C ATOM 0 H VAL A 22 -2.132 0.226 7.923 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.761 0.259 5.478 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.309 -1.215 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.526 -2.790 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.786 -3.013 5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.179 -2.201 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.641 -0.579 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.248 0.153 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.107 0.851 4.907 1.00 0.00 H new ATOM 331 N THR A 23 -5.168 -1.660 6.274 1.00 0.00 N ATOM 332 CA THR A 23 -6.132 -2.524 6.881 1.00 0.00 C ATOM 333 C THR A 23 -6.572 -3.597 5.946 1.00 0.00 C ATOM 334 O THR A 23 -7.223 -3.386 4.925 1.00 0.00 O ATOM 335 CB THR A 23 -7.272 -1.752 7.480 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.146 -2.565 8.248 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.107 -0.982 6.443 1.00 0.00 C ATOM 0 H THR A 23 -5.397 -1.392 5.317 1.00 0.00 H new ATOM 0 HA THR A 23 -5.647 -3.032 7.714 1.00 0.00 H new ATOM 0 HB THR A 23 -6.781 -1.031 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.868 -2.013 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.912 -0.448 6.948 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.470 -0.268 5.921 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.531 -1.683 5.724 1.00 0.00 H new ATOM 345 N GLY A 24 -6.179 -4.844 6.265 1.00 0.00 N ATOM 346 CA GLY A 24 -6.454 -6.018 5.496 1.00 0.00 C ATOM 347 C GLY A 24 -5.331 -6.341 4.572 1.00 0.00 C ATOM 348 O GLY A 24 -4.167 -6.338 4.970 1.00 0.00 O ATOM 0 H GLY A 24 -5.639 -5.043 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.629 -6.860 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.369 -5.872 4.921 1.00 0.00 H new ATOM 352 N GLY A 25 -5.644 -6.655 3.302 1.00 0.00 N ATOM 353 CA GLY A 25 -4.673 -6.783 2.260 1.00 0.00 C ATOM 354 C GLY A 25 -4.099 -8.146 2.077 1.00 0.00 C ATOM 355 O GLY A 25 -2.999 -8.303 1.550 1.00 0.00 O ATOM 0 H GLY A 25 -6.600 -6.825 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.131 -6.472 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.857 -6.089 2.461 1.00 0.00 H new ATOM 359 N VAL A 26 -4.817 -9.198 2.509 1.00 0.00 N ATOM 360 CA VAL A 26 -4.281 -10.523 2.528 1.00 0.00 C ATOM 361 C VAL A 26 -4.702 -11.341 1.356 1.00 0.00 C ATOM 362 O VAL A 26 -4.533 -10.940 0.205 1.00 0.00 O ATOM 363 CB VAL A 26 -4.464 -11.214 3.847 1.00 0.00 C ATOM 364 CG1 VAL A 26 -3.276 -12.177 4.020 1.00 0.00 C ATOM 365 CG2 VAL A 26 -4.500 -10.214 5.015 1.00 0.00 C ATOM 0 H VAL A 26 -5.777 -9.129 2.848 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.203 -10.409 2.418 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.416 -11.745 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.369 -12.703 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.272 -12.900 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.344 -11.611 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.634 -10.754 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.563 -9.658 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.329 -9.520 4.874 1.00 0.00 H new ATOM 375 N ASN A 27 -5.251 -12.549 1.575 1.00 0.00 N ATOM 376 CA ASN A 27 -5.415 -13.578 0.596 1.00 0.00 C ATOM 377 C ASN A 27 -6.592 -13.348 -0.291 1.00 0.00 C ATOM 378 O ASN A 27 -6.497 -13.467 -1.510 1.00 0.00 O ATOM 379 CB ASN A 27 -5.388 -14.967 1.255 1.00 0.00 C ATOM 380 CG ASN A 27 -6.427 -15.173 2.349 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.543 -15.617 2.082 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.066 -14.868 3.624 1.00 0.00 N ATOM 0 H ASN A 27 -5.602 -12.823 2.493 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.560 -13.540 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.537 -15.723 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.397 -15.134 1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.727 -15.006 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.134 -14.501 3.816 1.00 0.00 H new ATOM 389 N THR A 28 -7.741 -12.956 0.289 1.00 0.00 N ATOM 390 CA THR A 28 -8.857 -12.439 -0.439 1.00 0.00 C ATOM 391 C THR A 28 -9.585 -11.525 0.486 1.00 0.00 C ATOM 392 O THR A 28 -10.253 -11.945 1.429 1.00 0.00 O ATOM 393 CB THR A 28 -9.732 -13.456 -1.109 1.00 0.00 C ATOM 394 OG1 THR A 28 -10.772 -12.851 -1.863 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.366 -14.474 -0.145 1.00 0.00 C ATOM 0 H THR A 28 -7.898 -13.000 1.296 1.00 0.00 H new ATOM 0 HA THR A 28 -8.486 -11.896 -1.309 1.00 0.00 H new ATOM 0 HB THR A 28 -9.050 -13.994 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.318 -13.547 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.983 -15.174 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.580 -15.021 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.985 -13.949 0.583 1.00 0.00 H new ATOM 403 N SER A 29 -9.418 -10.203 0.308 1.00 0.00 N ATOM 404 CA SER A 29 -9.936 -9.239 1.228 1.00 0.00 C ATOM 405 C SER A 29 -10.603 -8.126 0.495 1.00 0.00 C ATOM 406 O SER A 29 -11.829 -8.065 0.419 1.00 0.00 O ATOM 407 CB SER A 29 -8.901 -8.748 2.253 1.00 0.00 C ATOM 408 OG SER A 29 -7.811 -8.015 1.715 1.00 0.00 O ATOM 0 H SER A 29 -8.918 -9.798 -0.483 1.00 0.00 H new ATOM 0 HA SER A 29 -10.692 -9.743 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.410 -8.123 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.507 -9.612 2.788 1.00 0.00 H new ATOM 0 HG SER A 29 -7.151 -8.636 1.342 1.00 0.00 H new ATOM 414 N VAL A 30 -9.822 -7.210 -0.104 1.00 0.00 N ATOM 415 CA VAL A 30 -10.293 -6.198 -0.999 1.00 0.00 C ATOM 416 C VAL A 30 -10.592 -6.788 -2.334 1.00 0.00 C ATOM 417 O VAL A 30 -11.718 -6.706 -2.821 1.00 0.00 O ATOM 418 CB VAL A 30 -9.399 -4.994 -0.996 1.00 0.00 C ATOM 419 CG1 VAL A 30 -7.946 -5.283 -1.409 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.011 -3.879 -1.862 1.00 0.00 C ATOM 0 H VAL A 30 -8.813 -7.173 0.043 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.246 -5.803 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.338 -4.663 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.369 -4.359 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.509 -6.006 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.929 -5.689 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.354 -3.009 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.127 -4.236 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.986 -3.601 -1.462 1.00 0.00 H new ATOM 430 N ARG A 31 -9.608 -7.476 -2.941 1.00 0.00 N ATOM 431 CA ARG A 31 -9.768 -8.368 -4.048 1.00 0.00 C ATOM 432 C ARG A 31 -8.970 -9.574 -3.689 1.00 0.00 C ATOM 433 O ARG A 31 -8.592 -9.741 -2.531 1.00 0.00 O ATOM 434 CB ARG A 31 -9.272 -7.707 -5.346 1.00 0.00 C ATOM 435 CG ARG A 31 -10.168 -6.549 -5.789 1.00 0.00 C ATOM 436 CD ARG A 31 -9.735 -5.865 -7.087 1.00 0.00 C ATOM 437 NE ARG A 31 -10.786 -4.853 -7.387 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.888 -4.210 -8.587 1.00 0.00 C ATOM 439 NH1 ARG A 31 -9.955 -4.350 -9.575 1.00 0.00 N ATOM 440 NH2 ARG A 31 -11.942 -3.384 -8.850 1.00 0.00 N ATOM 0 H ARG A 31 -8.637 -7.404 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.810 -8.630 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.256 -7.341 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.230 -8.454 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.185 -6.921 -5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.196 -5.804 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.759 -5.392 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.646 -6.588 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.464 -4.629 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.145 -4.953 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.068 -3.852 -10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.666 -3.241 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.006 -2.910 -9.751 1.00 0.00 H new ATOM 454 N HIS A 32 -8.644 -10.471 -4.637 1.00 0.00 N ATOM 455 CA HIS A 32 -7.654 -11.481 -4.424 1.00 0.00 C ATOM 456 C HIS A 32 -6.275 -10.923 -4.518 1.00 0.00 C ATOM 457 O HIS A 32 -5.581 -11.019 -5.530 1.00 0.00 O ATOM 458 CB HIS A 32 -7.835 -12.727 -5.308 1.00 0.00 C ATOM 459 CG HIS A 32 -7.681 -12.591 -6.794 1.00 0.00 C ATOM 460 ND1 HIS A 32 -7.663 -13.750 -7.542 1.00 0.00 N ATOM 461 CD2 HIS A 32 -7.578 -11.504 -7.604 1.00 0.00 C ATOM 462 CE1 HIS A 32 -7.552 -13.352 -8.796 1.00 0.00 C ATOM 463 NE2 HIS A 32 -7.493 -11.998 -8.891 1.00 0.00 N ATOM 0 H HIS A 32 -9.072 -10.496 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.804 -11.832 -3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.120 -13.477 -4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.831 -13.126 -5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.565 -10.467 -7.303 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.513 -14.021 -9.643 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.403 -11.452 -9.748 1.00 0.00 H new ATOM 471 N GLY A 33 -5.840 -10.252 -3.438 1.00 0.00 N ATOM 472 CA GLY A 33 -4.678 -9.418 -3.420 1.00 0.00 C ATOM 473 C GLY A 33 -5.111 -7.993 -3.352 1.00 0.00 C ATOM 474 O GLY A 33 -6.298 -7.687 -3.240 1.00 0.00 O ATOM 0 H GLY A 33 -6.318 -10.292 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.051 -9.663 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.078 -9.588 -4.314 1.00 0.00 H new ATOM 478 N GLY A 34 -4.146 -7.059 -3.381 1.00 0.00 N ATOM 479 CA GLY A 34 -4.408 -5.659 -3.246 1.00 0.00 C ATOM 480 C GLY A 34 -4.446 -5.256 -1.813 1.00 0.00 C ATOM 481 O GLY A 34 -4.850 -6.025 -0.942 1.00 0.00 O ATOM 0 H GLY A 34 -3.158 -7.281 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.638 -5.090 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.359 -5.416 -3.720 1.00 0.00 H new ATOM 485 N ILE A 35 -4.040 -4.009 -1.513 1.00 0.00 N ATOM 486 CA ILE A 35 -3.860 -3.542 -0.173 1.00 0.00 C ATOM 487 C ILE A 35 -4.647 -2.283 -0.046 1.00 0.00 C ATOM 488 O ILE A 35 -4.690 -1.480 -0.977 1.00 0.00 O ATOM 489 CB ILE A 35 -2.418 -3.278 0.141 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.468 -4.407 -0.292 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.245 -2.940 1.632 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.618 -5.734 0.452 1.00 0.00 C ATOM 0 H ILE A 35 -3.831 -3.306 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.197 -4.303 0.531 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.128 -2.414 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.617 -4.591 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.443 -4.059 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.192 -2.751 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.828 -2.052 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.592 -3.777 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.898 -6.453 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.436 -5.578 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.628 -6.119 0.310 1.00 0.00 H new ATOM 504 N TYR A 36 -5.294 -2.033 1.107 1.00 0.00 N ATOM 505 CA TYR A 36 -6.251 -0.983 1.267 1.00 0.00 C ATOM 506 C TYR A 36 -5.831 -0.090 2.384 1.00 0.00 C ATOM 507 O TYR A 36 -5.486 -0.535 3.476 1.00 0.00 O ATOM 508 CB TYR A 36 -7.630 -1.585 1.584 1.00 0.00 C ATOM 509 CG TYR A 36 -8.810 -1.115 0.803 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.808 -0.112 -0.137 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.999 -1.755 1.066 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.967 0.257 -0.777 1.00 0.00 C ATOM 513 CE2 TYR A 36 -11.170 -1.379 0.454 1.00 0.00 C ATOM 514 CZ TYR A 36 -11.158 -0.357 -0.466 1.00 0.00 C ATOM 515 OH TYR A 36 -12.356 0.092 -1.060 1.00 0.00 O ATOM 0 H TYR A 36 -5.146 -2.580 1.955 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.311 -0.407 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.557 -2.665 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.837 -1.402 2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.884 0.393 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.012 -2.573 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.943 1.033 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.095 -1.883 0.694 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.105 -0.449 -0.734 1.00 0.00 H new ATOM 525 N VAL A 37 -5.832 1.232 2.137 1.00 0.00 N ATOM 526 CA VAL A 37 -5.422 2.229 3.076 1.00 0.00 C ATOM 527 C VAL A 37 -6.531 2.596 3.999 1.00 0.00 C ATOM 528 O VAL A 37 -7.667 2.825 3.585 1.00 0.00 O ATOM 529 CB VAL A 37 -4.913 3.461 2.388 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.640 4.631 3.349 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.600 3.071 1.691 1.00 0.00 C ATOM 0 H VAL A 37 -6.132 1.623 1.244 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.609 1.794 3.658 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.677 3.808 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.274 5.488 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.562 4.902 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.890 4.333 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.190 3.939 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.884 2.720 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.793 2.277 0.969 1.00 0.00 H new ATOM 541 N LYS A 38 -6.211 2.686 5.303 1.00 0.00 N ATOM 542 CA LYS A 38 -7.112 3.051 6.352 1.00 0.00 C ATOM 543 C LYS A 38 -7.135 4.526 6.553 1.00 0.00 C ATOM 544 O LYS A 38 -8.177 5.168 6.422 1.00 0.00 O ATOM 545 CB LYS A 38 -6.686 2.330 7.642 1.00 0.00 C ATOM 546 CG LYS A 38 -7.661 2.479 8.812 1.00 0.00 C ATOM 547 CD LYS A 38 -7.276 1.569 9.979 1.00 0.00 C ATOM 548 CE LYS A 38 -8.082 1.772 11.264 1.00 0.00 C ATOM 549 NZ LYS A 38 -9.528 1.570 11.027 1.00 0.00 N ATOM 0 H LYS A 38 -5.269 2.493 5.644 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.123 2.749 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.561 1.269 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.711 2.710 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.674 3.516 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.671 2.239 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.387 0.532 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.221 1.722 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.735 1.076 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.911 2.777 11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.049 1.714 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.862 2.251 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.692 0.602 10.683 1.00 0.00 H new ATOM 563 N ALA A 39 -5.972 5.123 6.871 1.00 0.00 N ATOM 564 CA ALA A 39 -5.857 6.513 7.187 1.00 0.00 C ATOM 565 C ALA A 39 -4.452 6.989 7.049 1.00 0.00 C ATOM 566 O ALA A 39 -3.505 6.206 7.056 1.00 0.00 O ATOM 567 CB ALA A 39 -6.338 6.789 8.621 1.00 0.00 C ATOM 0 H ALA A 39 -5.084 4.623 6.909 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.485 7.054 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.241 7.853 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.382 6.492 8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.732 6.218 9.324 1.00 0.00 H new ATOM 573 N VAL A 40 -4.269 8.313 6.898 1.00 0.00 N ATOM 574 CA VAL A 40 -2.999 8.931 6.674 1.00 0.00 C ATOM 575 C VAL A 40 -2.323 9.347 7.935 1.00 0.00 C ATOM 576 O VAL A 40 -2.904 9.965 8.825 1.00 0.00 O ATOM 577 CB VAL A 40 -3.117 10.031 5.661 1.00 0.00 C ATOM 578 CG1 VAL A 40 -3.767 11.312 6.211 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.756 10.318 5.005 1.00 0.00 C ATOM 0 H VAL A 40 -5.039 8.981 6.934 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.334 8.179 6.249 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.802 9.669 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.818 12.062 5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.774 11.087 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.170 11.696 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.866 11.119 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.040 10.620 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.396 9.418 4.506 1.00 0.00 H new ATOM 589 N ILE A 41 -1.055 8.929 8.102 1.00 0.00 N ATOM 590 CA ILE A 41 -0.225 9.184 9.238 1.00 0.00 C ATOM 591 C ILE A 41 0.445 10.510 9.119 1.00 0.00 C ATOM 592 O ILE A 41 1.026 10.747 8.062 1.00 0.00 O ATOM 593 CB ILE A 41 0.765 8.066 9.384 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.048 6.733 9.652 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.830 8.329 10.464 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.550 6.582 11.050 1.00 0.00 C ATOM 0 H ILE A 41 -0.578 8.374 7.392 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.838 9.223 10.139 1.00 0.00 H new ATOM 0 HB ILE A 41 1.295 8.006 8.434 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.750 6.615 8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.755 5.920 9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.513 7.481 10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.389 9.230 10.212 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.343 8.463 11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.032 5.608 11.136 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.242 6.662 11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.287 7.368 11.218 1.00 0.00 H new ATOM 608 N PRO A 42 0.481 11.407 10.059 1.00 0.00 N ATOM 609 CA PRO A 42 1.132 12.677 9.918 1.00 0.00 C ATOM 610 C PRO A 42 2.609 12.641 10.108 1.00 0.00 C ATOM 611 O PRO A 42 3.176 13.552 10.707 1.00 0.00 O ATOM 612 CB PRO A 42 0.449 13.529 10.986 1.00 0.00 C ATOM 613 CG PRO A 42 0.182 12.535 12.127 1.00 0.00 C ATOM 614 CD PRO A 42 -0.209 11.279 11.333 1.00 0.00 C ATOM 0 HA PRO A 42 1.033 13.063 8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.087 14.351 11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.476 13.971 10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.063 12.373 12.748 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.617 12.871 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.094 10.372 11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.288 11.221 11.193 1.00 0.00 H new ATOM 622 N GLN A 43 3.296 11.619 9.567 1.00 0.00 N ATOM 623 CA GLN A 43 4.718 11.475 9.573 1.00 0.00 C ATOM 624 C GLN A 43 5.096 10.774 8.314 1.00 0.00 C ATOM 625 O GLN A 43 5.546 9.630 8.318 1.00 0.00 O ATOM 626 CB GLN A 43 5.232 10.656 10.769 1.00 0.00 C ATOM 627 CG GLN A 43 5.323 11.430 12.086 1.00 0.00 C ATOM 628 CD GLN A 43 5.875 10.535 13.187 1.00 0.00 C ATOM 629 OE1 GLN A 43 7.075 10.318 13.345 1.00 0.00 O ATOM 630 NE2 GLN A 43 4.947 9.954 13.994 1.00 0.00 N ATOM 0 H GLN A 43 2.828 10.845 9.096 1.00 0.00 H new ATOM 0 HA GLN A 43 5.165 12.466 9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.575 9.798 10.913 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.219 10.264 10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.965 12.302 11.960 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.337 11.799 12.368 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.955 10.144 13.850 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.243 9.328 14.743 1.00 0.00 H new ATOM 639 N GLY A 44 4.900 11.409 7.144 1.00 0.00 N ATOM 640 CA GLY A 44 5.276 10.765 5.924 1.00 0.00 C ATOM 641 C GLY A 44 5.156 11.601 4.695 1.00 0.00 C ATOM 642 O GLY A 44 4.663 12.728 4.685 1.00 0.00 O ATOM 0 H GLY A 44 4.494 12.339 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.309 10.428 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.660 9.874 5.798 1.00 0.00 H new ATOM 646 N ALA A 45 5.596 11.014 3.568 1.00 0.00 N ATOM 647 CA ALA A 45 5.536 11.613 2.271 1.00 0.00 C ATOM 648 C ALA A 45 4.136 11.775 1.788 1.00 0.00 C ATOM 649 O ALA A 45 3.804 12.775 1.154 1.00 0.00 O ATOM 650 CB ALA A 45 6.341 10.735 1.298 1.00 0.00 C ATOM 0 H ALA A 45 6.011 10.082 3.560 1.00 0.00 H new ATOM 0 HA ALA A 45 5.962 12.615 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.309 11.174 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.376 10.674 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.909 9.735 1.268 1.00 0.00 H new ATOM 656 N ALA A 46 3.255 10.818 2.134 1.00 0.00 N ATOM 657 CA ALA A 46 1.854 10.830 1.849 1.00 0.00 C ATOM 658 C ALA A 46 1.147 12.046 2.342 1.00 0.00 C ATOM 659 O ALA A 46 0.516 12.765 1.570 1.00 0.00 O ATOM 660 CB ALA A 46 1.200 9.576 2.454 1.00 0.00 C ATOM 0 H ALA A 46 3.541 9.983 2.645 1.00 0.00 H new ATOM 0 HA ALA A 46 1.759 10.839 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.132 9.583 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.652 8.684 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.352 9.571 3.533 1.00 0.00 H new ATOM 666 N GLU A 47 1.240 12.346 3.650 1.00 0.00 N ATOM 667 CA GLU A 47 0.582 13.462 4.256 1.00 0.00 C ATOM 668 C GLU A 47 1.149 14.765 3.810 1.00 0.00 C ATOM 669 O GLU A 47 0.428 15.676 3.403 1.00 0.00 O ATOM 670 CB GLU A 47 0.628 13.351 5.789 1.00 0.00 C ATOM 671 CG GLU A 47 -0.629 13.848 6.507 1.00 0.00 C ATOM 672 CD GLU A 47 -0.945 15.327 6.334 1.00 0.00 C ATOM 673 OE1 GLU A 47 -0.115 16.204 6.689 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.097 15.620 5.915 1.00 0.00 O ATOM 0 H GLU A 47 1.791 11.794 4.307 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.457 13.435 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.795 12.308 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.485 13.916 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.481 13.269 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.524 13.640 7.572 1.00 0.00 H new ATOM 681 N SER A 48 2.489 14.880 3.819 1.00 0.00 N ATOM 682 CA SER A 48 3.203 16.054 3.424 1.00 0.00 C ATOM 683 C SER A 48 2.977 16.484 2.014 1.00 0.00 C ATOM 684 O SER A 48 2.694 17.656 1.771 1.00 0.00 O ATOM 685 CB SER A 48 4.716 15.943 3.676 1.00 0.00 C ATOM 686 OG SER A 48 5.001 15.995 5.066 1.00 0.00 O ATOM 0 H SER A 48 3.102 14.120 4.115 1.00 0.00 H new ATOM 0 HA SER A 48 2.779 16.825 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.091 15.009 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.235 16.753 3.163 1.00 0.00 H new ATOM 0 HG SER A 48 5.968 15.921 5.205 1.00 0.00 H new ATOM 692 N ASP A 49 3.053 15.579 1.022 1.00 0.00 N ATOM 693 CA ASP A 49 2.773 15.909 -0.342 1.00 0.00 C ATOM 694 C ASP A 49 1.328 16.189 -0.577 1.00 0.00 C ATOM 695 O ASP A 49 0.971 17.229 -1.127 1.00 0.00 O ATOM 696 CB ASP A 49 3.290 14.810 -1.286 1.00 0.00 C ATOM 697 CG ASP A 49 3.342 15.285 -2.731 1.00 0.00 C ATOM 698 OD1 ASP A 49 4.167 16.190 -3.023 1.00 0.00 O ATOM 699 OD2 ASP A 49 2.554 14.784 -3.577 1.00 0.00 O ATOM 0 H ASP A 49 3.313 14.603 1.168 1.00 0.00 H new ATOM 0 HA ASP A 49 3.307 16.833 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.285 14.498 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.644 13.935 -1.214 1.00 0.00 H new ATOM 704 N GLY A 50 0.424 15.284 -0.161 1.00 0.00 N ATOM 705 CA GLY A 50 -0.983 15.429 -0.373 1.00 0.00 C ATOM 706 C GLY A 50 -1.376 15.011 -1.749 1.00 0.00 C ATOM 707 O GLY A 50 -1.567 15.837 -2.639 1.00 0.00 O ATOM 0 H GLY A 50 0.678 14.430 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.525 14.830 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.271 16.468 -0.211 1.00 0.00 H new ATOM 711 N ARG A 51 -1.480 13.688 -1.971 1.00 0.00 N ATOM 712 CA ARG A 51 -1.401 13.106 -3.274 1.00 0.00 C ATOM 713 C ARG A 51 -2.402 12.019 -3.470 1.00 0.00 C ATOM 714 O ARG A 51 -2.923 11.838 -4.569 1.00 0.00 O ATOM 715 CB ARG A 51 0.016 12.531 -3.444 1.00 0.00 C ATOM 716 CG ARG A 51 0.465 12.347 -4.894 1.00 0.00 C ATOM 717 CD ARG A 51 1.887 11.789 -4.973 1.00 0.00 C ATOM 718 NE ARG A 51 2.354 11.979 -6.375 1.00 0.00 N ATOM 719 CZ ARG A 51 3.152 13.011 -6.776 1.00 0.00 C ATOM 720 NH1 ARG A 51 3.606 13.978 -5.928 1.00 0.00 N ATOM 721 NH2 ARG A 51 3.479 13.079 -8.099 1.00 0.00 N ATOM 0 H ARG A 51 -1.623 13.006 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.616 13.876 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.723 13.190 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.064 11.566 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.221 11.672 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.419 13.303 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.544 12.308 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.902 10.733 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 51 2.060 11.298 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.351 13.951 -4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.201 14.728 -6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.129 12.374 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.073 13.835 -8.439 1.00 0.00 H new ATOM 735 N ILE A 52 -2.699 11.252 -2.406 1.00 0.00 N ATOM 736 CA ILE A 52 -3.530 10.088 -2.398 1.00 0.00 C ATOM 737 C ILE A 52 -4.495 10.341 -1.293 1.00 0.00 C ATOM 738 O ILE A 52 -4.313 11.292 -0.534 1.00 0.00 O ATOM 739 CB ILE A 52 -2.725 8.845 -2.161 1.00 0.00 C ATOM 740 CG1 ILE A 52 -1.379 8.841 -2.905 1.00 0.00 C ATOM 741 CG2 ILE A 52 -3.547 7.623 -2.604 1.00 0.00 C ATOM 742 CD1 ILE A 52 -0.463 7.678 -2.528 1.00 0.00 C ATOM 0 H ILE A 52 -2.328 11.463 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.031 9.923 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.500 8.809 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.569 8.807 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.861 9.778 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.969 6.715 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.471 7.577 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.785 7.710 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.465 7.747 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.240 7.721 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.959 6.735 -2.757 1.00 0.00 H new ATOM 754 N HIS A 53 -5.570 9.558 -1.088 1.00 0.00 N ATOM 755 CA HIS A 53 -6.302 9.636 0.137 1.00 0.00 C ATOM 756 C HIS A 53 -6.747 8.294 0.609 1.00 0.00 C ATOM 757 O HIS A 53 -6.395 7.255 0.052 1.00 0.00 O ATOM 758 CB HIS A 53 -7.440 10.671 0.107 1.00 0.00 C ATOM 759 CG HIS A 53 -8.509 10.511 -0.932 1.00 0.00 C ATOM 760 ND1 HIS A 53 -9.326 11.599 -1.167 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.868 9.461 -1.720 1.00 0.00 C ATOM 762 CE1 HIS A 53 -10.149 11.206 -2.121 1.00 0.00 C ATOM 763 NE2 HIS A 53 -9.919 9.918 -2.489 1.00 0.00 N ATOM 0 H HIS A 53 -5.928 8.880 -1.761 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.601 10.012 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.921 10.667 1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.992 11.656 -0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.424 8.477 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.913 11.832 -2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.427 9.390 -3.199 1.00 0.00 H new ATOM 771 N LYS A 54 -7.486 8.233 1.730 1.00 0.00 N ATOM 772 CA LYS A 54 -8.030 7.028 2.275 1.00 0.00 C ATOM 773 C LYS A 54 -8.878 6.265 1.316 1.00 0.00 C ATOM 774 O LYS A 54 -9.622 6.834 0.519 1.00 0.00 O ATOM 775 CB LYS A 54 -8.787 7.297 3.586 1.00 0.00 C ATOM 776 CG LYS A 54 -10.165 7.954 3.472 1.00 0.00 C ATOM 777 CD LYS A 54 -11.312 6.951 3.622 1.00 0.00 C ATOM 778 CE LYS A 54 -12.709 7.554 3.459 1.00 0.00 C ATOM 779 NZ LYS A 54 -13.732 6.532 3.775 1.00 0.00 N ATOM 0 H LYS A 54 -7.715 9.060 2.281 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.172 6.391 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.907 6.348 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.161 7.930 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.260 8.725 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.247 8.452 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.184 6.159 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.244 6.485 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.824 8.414 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.844 7.914 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.680 6.944 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.627 5.724 3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.608 6.209 4.756 1.00 0.00 H new ATOM 793 N GLY A 55 -8.823 4.922 1.347 1.00 0.00 N ATOM 794 CA GLY A 55 -9.614 4.118 0.467 1.00 0.00 C ATOM 795 C GLY A 55 -9.190 4.034 -0.958 1.00 0.00 C ATOM 796 O GLY A 55 -9.901 3.432 -1.761 1.00 0.00 O ATOM 0 H GLY A 55 -8.229 4.391 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.641 3.106 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.635 4.498 0.492 1.00 0.00 H new ATOM 800 N ASP A 56 -8.011 4.567 -1.326 1.00 0.00 N ATOM 801 CA ASP A 56 -7.355 4.266 -2.560 1.00 0.00 C ATOM 802 C ASP A 56 -6.632 2.970 -2.426 1.00 0.00 C ATOM 803 O ASP A 56 -6.302 2.537 -1.324 1.00 0.00 O ATOM 804 CB ASP A 56 -6.374 5.382 -2.960 1.00 0.00 C ATOM 805 CG ASP A 56 -7.100 6.664 -3.338 1.00 0.00 C ATOM 806 OD1 ASP A 56 -8.185 6.586 -3.973 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.580 7.771 -3.033 1.00 0.00 O ATOM 0 H ASP A 56 -7.497 5.230 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.107 4.191 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.693 5.581 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.766 5.047 -3.800 1.00 0.00 H new ATOM 812 N ARG A 57 -6.390 2.245 -3.533 1.00 0.00 N ATOM 813 CA ARG A 57 -6.010 0.867 -3.475 1.00 0.00 C ATOM 814 C ARG A 57 -4.909 0.541 -4.426 1.00 0.00 C ATOM 815 O ARG A 57 -4.983 0.842 -5.616 1.00 0.00 O ATOM 816 CB ARG A 57 -7.245 0.004 -3.787 1.00 0.00 C ATOM 817 CG ARG A 57 -7.089 -1.498 -3.544 1.00 0.00 C ATOM 818 CD ARG A 57 -7.045 -2.348 -4.815 1.00 0.00 C ATOM 819 NE ARG A 57 -8.393 -2.250 -5.444 1.00 0.00 N ATOM 820 CZ ARG A 57 -8.594 -1.890 -6.745 1.00 0.00 C ATOM 821 NH1 ARG A 57 -7.638 -2.049 -7.706 1.00 0.00 N ATOM 822 NH2 ARG A 57 -9.796 -1.335 -7.077 1.00 0.00 N ATOM 0 H ARG A 57 -6.459 2.619 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.635 0.658 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.078 0.365 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.517 0.157 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.173 -1.668 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.917 -1.840 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.274 -1.987 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.803 -3.384 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.209 -2.464 -4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.732 -2.450 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.829 -1.767 -8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.511 -1.201 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.980 -1.054 -8.040 1.00 0.00 H new ATOM 836 N VAL A 58 -3.823 -0.103 -3.962 1.00 0.00 N ATOM 837 CA VAL A 58 -2.674 -0.367 -4.771 1.00 0.00 C ATOM 838 C VAL A 58 -2.793 -1.539 -5.682 1.00 0.00 C ATOM 839 O VAL A 58 -3.633 -2.427 -5.536 1.00 0.00 O ATOM 840 CB VAL A 58 -1.407 -0.540 -3.986 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.027 0.789 -3.311 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.558 -1.669 -2.952 1.00 0.00 C ATOM 0 H VAL A 58 -3.742 -0.447 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.625 0.540 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.603 -0.824 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.106 0.658 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.877 1.554 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.828 1.098 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.628 -1.778 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.368 -1.426 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.785 -2.604 -3.465 1.00 0.00 H new ATOM 852 N LEU A 59 -1.892 -1.567 -6.680 1.00 0.00 N ATOM 853 CA LEU A 59 -1.674 -2.647 -7.592 1.00 0.00 C ATOM 854 C LEU A 59 -0.260 -3.082 -7.421 1.00 0.00 C ATOM 855 O LEU A 59 0.033 -4.004 -6.661 1.00 0.00 O ATOM 856 CB LEU A 59 -1.928 -2.217 -9.047 1.00 0.00 C ATOM 857 CG LEU A 59 -3.393 -2.237 -9.513 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.227 -1.054 -8.994 1.00 0.00 C ATOM 859 CD2 LEU A 59 -3.454 -2.245 -11.049 1.00 0.00 C ATOM 0 H LEU A 59 -1.272 -0.778 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.367 -3.461 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.540 -1.207 -9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.351 -2.868 -9.703 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.826 -3.145 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.248 -1.138 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.235 -1.065 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.790 -0.119 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.495 -2.259 -11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.966 -1.351 -11.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.944 -3.131 -11.429 1.00 0.00 H new ATOM 871 N ALA A 60 0.696 -2.453 -8.129 1.00 0.00 N ATOM 872 CA ALA A 60 2.052 -2.900 -8.191 1.00 0.00 C ATOM 873 C ALA A 60 3.003 -2.186 -7.293 1.00 0.00 C ATOM 874 O ALA A 60 2.761 -1.065 -6.850 1.00 0.00 O ATOM 875 CB ALA A 60 2.551 -2.809 -9.644 1.00 0.00 C ATOM 0 H ALA A 60 0.520 -1.609 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 60 2.036 -3.929 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.585 -3.149 -9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.930 -3.438 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.492 -1.775 -9.985 1.00 0.00 H new ATOM 881 N VAL A 61 4.159 -2.819 -7.021 1.00 0.00 N ATOM 882 CA VAL A 61 5.318 -2.217 -6.440 1.00 0.00 C ATOM 883 C VAL A 61 6.350 -2.128 -7.512 1.00 0.00 C ATOM 884 O VAL A 61 7.029 -3.101 -7.834 1.00 0.00 O ATOM 885 CB VAL A 61 5.865 -2.982 -5.272 1.00 0.00 C ATOM 886 CG1 VAL A 61 7.134 -2.327 -4.700 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.815 -3.045 -4.150 1.00 0.00 C ATOM 0 H VAL A 61 4.291 -3.811 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 61 5.041 -1.237 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 61 6.113 -3.980 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.497 -2.913 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.903 -2.288 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.903 -1.315 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.219 -3.602 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.562 -2.034 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.919 -3.544 -4.518 1.00 0.00 H new ATOM 897 N ASN A 62 6.497 -0.953 -8.151 1.00 0.00 N ATOM 898 CA ASN A 62 7.420 -0.690 -9.210 1.00 0.00 C ATOM 899 C ASN A 62 7.283 -1.602 -10.382 1.00 0.00 C ATOM 900 O ASN A 62 8.227 -2.266 -10.806 1.00 0.00 O ATOM 901 CB ASN A 62 8.852 -0.544 -8.669 1.00 0.00 C ATOM 902 CG ASN A 62 9.884 -0.116 -9.703 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.978 -0.674 -9.775 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.530 0.869 -10.572 1.00 0.00 N ATOM 0 H ASN A 62 5.935 -0.136 -7.912 1.00 0.00 H new ATOM 0 HA ASN A 62 7.153 0.278 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.847 0.185 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.162 -1.497 -8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.178 1.160 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.617 1.316 -10.491 1.00 0.00 H new ATOM 911 N GLY A 63 6.070 -1.699 -10.955 1.00 0.00 N ATOM 912 CA GLY A 63 5.789 -2.587 -12.040 1.00 0.00 C ATOM 913 C GLY A 63 5.381 -3.956 -11.618 1.00 0.00 C ATOM 914 O GLY A 63 4.577 -4.602 -12.287 1.00 0.00 O ATOM 0 H GLY A 63 5.266 -1.147 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.996 -2.156 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.674 -2.662 -12.672 1.00 0.00 H new ATOM 918 N VAL A 64 5.905 -4.447 -10.480 1.00 0.00 N ATOM 919 CA VAL A 64 5.761 -5.799 -10.036 1.00 0.00 C ATOM 920 C VAL A 64 4.493 -6.014 -9.285 1.00 0.00 C ATOM 921 O VAL A 64 4.216 -5.370 -8.274 1.00 0.00 O ATOM 922 CB VAL A 64 6.912 -6.183 -9.152 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.804 -7.645 -8.686 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.228 -5.954 -9.913 1.00 0.00 C ATOM 0 H VAL A 64 6.455 -3.874 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 64 5.743 -6.422 -10.930 1.00 0.00 H new ATOM 0 HB VAL A 64 6.890 -5.559 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.654 -7.887 -8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.879 -7.781 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.802 -8.304 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.069 -6.231 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.238 -6.566 -10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.311 -4.902 -10.187 1.00 0.00 H new ATOM 934 N SER A 65 3.645 -6.943 -9.759 1.00 0.00 N ATOM 935 CA SER A 65 2.429 -7.317 -9.103 1.00 0.00 C ATOM 936 C SER A 65 2.669 -8.225 -7.947 1.00 0.00 C ATOM 937 O SER A 65 3.402 -9.208 -8.045 1.00 0.00 O ATOM 938 CB SER A 65 1.439 -8.035 -10.036 1.00 0.00 C ATOM 939 OG SER A 65 1.116 -7.203 -11.142 1.00 0.00 O ATOM 0 H SER A 65 3.810 -7.452 -10.628 1.00 0.00 H new ATOM 0 HA SER A 65 2.003 -6.371 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.874 -8.970 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.533 -8.292 -9.488 1.00 0.00 H new ATOM 0 HG SER A 65 0.487 -7.670 -11.730 1.00 0.00 H new ATOM 945 N LEU A 66 2.037 -7.957 -6.790 1.00 0.00 N ATOM 946 CA LEU A 66 2.139 -8.772 -5.619 1.00 0.00 C ATOM 947 C LEU A 66 1.110 -9.849 -5.666 1.00 0.00 C ATOM 948 O LEU A 66 0.198 -9.928 -4.845 1.00 0.00 O ATOM 949 CB LEU A 66 2.025 -7.911 -4.351 1.00 0.00 C ATOM 950 CG LEU A 66 3.336 -7.291 -3.839 1.00 0.00 C ATOM 951 CD1 LEU A 66 4.265 -8.348 -3.215 1.00 0.00 C ATOM 952 CD2 LEU A 66 4.100 -6.472 -4.893 1.00 0.00 C ATOM 0 H LEU A 66 1.434 -7.144 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 66 3.119 -9.249 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.316 -7.106 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.601 -8.524 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 66 3.024 -6.588 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.179 -7.868 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.761 -8.824 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.513 -9.101 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.012 -6.070 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.358 -7.114 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.473 -5.651 -5.241 1.00 0.00 H new ATOM 964 N GLU A 67 1.227 -10.732 -6.673 1.00 0.00 N ATOM 965 CA GLU A 67 0.251 -11.704 -7.057 1.00 0.00 C ATOM 966 C GLU A 67 0.016 -12.774 -6.046 1.00 0.00 C ATOM 967 O GLU A 67 0.810 -13.690 -5.839 1.00 0.00 O ATOM 968 CB GLU A 67 0.549 -12.270 -8.456 1.00 0.00 C ATOM 969 CG GLU A 67 1.950 -12.848 -8.663 1.00 0.00 C ATOM 970 CD GLU A 67 2.127 -13.415 -10.064 1.00 0.00 C ATOM 971 OE1 GLU A 67 1.341 -14.317 -10.458 1.00 0.00 O ATOM 972 OE2 GLU A 67 3.054 -12.972 -10.794 1.00 0.00 O ATOM 0 H GLU A 67 2.061 -10.769 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.697 -11.168 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.180 -13.051 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.393 -11.477 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.693 -12.070 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.132 -13.632 -7.928 1.00 0.00 H new ATOM 979 N GLY A 68 -1.115 -12.677 -5.325 1.00 0.00 N ATOM 980 CA GLY A 68 -1.513 -13.609 -4.317 1.00 0.00 C ATOM 981 C GLY A 68 -0.633 -13.646 -3.114 1.00 0.00 C ATOM 982 O GLY A 68 -0.487 -14.688 -2.476 1.00 0.00 O ATOM 0 H GLY A 68 -1.781 -11.915 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.528 -13.368 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.545 -14.606 -4.757 1.00 0.00 H new ATOM 986 N ALA A 69 0.006 -12.508 -2.790 1.00 0.00 N ATOM 987 CA ALA A 69 0.839 -12.328 -1.642 1.00 0.00 C ATOM 988 C ALA A 69 0.090 -12.145 -0.366 1.00 0.00 C ATOM 989 O ALA A 69 -1.064 -11.722 -0.344 1.00 0.00 O ATOM 990 CB ALA A 69 1.761 -11.120 -1.874 1.00 0.00 C ATOM 0 H ALA A 69 -0.063 -11.666 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 69 1.410 -13.249 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.399 -10.977 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.381 -11.299 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.157 -10.226 -2.032 1.00 0.00 H new ATOM 996 N THR A 70 0.746 -12.418 0.777 1.00 0.00 N ATOM 997 CA THR A 70 0.262 -12.053 2.072 1.00 0.00 C ATOM 998 C THR A 70 0.554 -10.627 2.384 1.00 0.00 C ATOM 999 O THR A 70 1.416 -9.985 1.787 1.00 0.00 O ATOM 1000 CB THR A 70 0.784 -12.901 3.194 1.00 0.00 C ATOM 1001 OG1 THR A 70 2.142 -13.276 3.017 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.050 -14.187 3.325 1.00 0.00 C ATOM 0 H THR A 70 1.640 -12.908 0.800 1.00 0.00 H new ATOM 0 HA THR A 70 -0.813 -12.220 2.009 1.00 0.00 H new ATOM 0 HB THR A 70 0.708 -12.290 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.431 -13.825 3.776 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.341 -14.792 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.089 -13.928 3.529 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.007 -14.754 2.396 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.153 -10.061 3.380 1.00 0.00 N ATOM 1011 CA HIS A 71 0.050 -8.742 3.893 1.00 0.00 C ATOM 1012 C HIS A 71 1.419 -8.578 4.457 1.00 0.00 C ATOM 1013 O HIS A 71 2.109 -7.600 4.170 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.032 -8.408 4.934 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.906 -7.117 5.688 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.666 -5.885 5.116 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.110 -6.874 7.010 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.736 -4.966 6.116 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.008 -5.525 7.280 1.00 0.00 N ATOM 0 H HIS A 71 -0.910 -10.554 3.854 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.037 -8.036 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.996 -8.405 4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.058 -9.219 5.662 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.473 -5.699 4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.323 -7.633 7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.587 -3.906 5.974 1.00 0.00 H new ATOM 1027 N LYS A 72 1.907 -9.586 5.201 1.00 0.00 N ATOM 1028 CA LYS A 72 3.261 -9.739 5.634 1.00 0.00 C ATOM 1029 C LYS A 72 4.284 -9.529 4.570 1.00 0.00 C ATOM 1030 O LYS A 72 5.257 -8.798 4.749 1.00 0.00 O ATOM 1031 CB LYS A 72 3.419 -11.138 6.254 1.00 0.00 C ATOM 1032 CG LYS A 72 4.816 -11.537 6.734 1.00 0.00 C ATOM 1033 CD LYS A 72 5.494 -10.555 7.691 1.00 0.00 C ATOM 1034 CE LYS A 72 4.716 -10.271 8.978 1.00 0.00 C ATOM 1035 NZ LYS A 72 5.367 -9.183 9.741 1.00 0.00 N ATOM 0 H LYS A 72 1.311 -10.349 5.523 1.00 0.00 H new ATOM 0 HA LYS A 72 3.449 -8.952 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.737 -11.211 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.092 -11.872 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.748 -12.507 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.457 -11.667 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.476 -10.947 7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.658 -9.613 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.690 -9.992 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.666 -11.173 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.829 -9.000 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.338 -9.464 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.392 -8.320 9.162 1.00 0.00 H new ATOM 1049 N GLN A 73 4.090 -10.120 3.378 1.00 0.00 N ATOM 1050 CA GLN A 73 5.000 -10.030 2.279 1.00 0.00 C ATOM 1051 C GLN A 73 5.023 -8.685 1.637 1.00 0.00 C ATOM 1052 O GLN A 73 6.068 -8.150 1.270 1.00 0.00 O ATOM 1053 CB GLN A 73 4.587 -11.102 1.257 1.00 0.00 C ATOM 1054 CG GLN A 73 5.590 -11.377 0.135 1.00 0.00 C ATOM 1055 CD GLN A 73 6.991 -11.624 0.676 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.961 -10.994 0.259 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.108 -12.536 1.677 1.00 0.00 N ATOM 0 H GLN A 73 3.265 -10.684 3.171 1.00 0.00 H new ATOM 0 HA GLN A 73 6.012 -10.192 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.404 -12.034 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.641 -10.802 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.264 -12.244 -0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.609 -10.530 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.286 -13.044 2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.018 -12.712 2.102 1.00 0.00 H new ATOM 1066 N ALA A 74 3.843 -8.052 1.518 1.00 0.00 N ATOM 1067 CA ALA A 74 3.689 -6.713 1.039 1.00 0.00 C ATOM 1068 C ALA A 74 4.324 -5.693 1.919 1.00 0.00 C ATOM 1069 O ALA A 74 4.969 -4.760 1.441 1.00 0.00 O ATOM 1070 CB ALA A 74 2.189 -6.419 0.866 1.00 0.00 C ATOM 0 H ALA A 74 2.957 -8.492 1.766 1.00 0.00 H new ATOM 0 HA ALA A 74 4.208 -6.642 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.058 -5.400 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.761 -7.120 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.684 -6.529 1.826 1.00 0.00 H new ATOM 1076 N VAL A 75 4.198 -5.856 3.248 1.00 0.00 N ATOM 1077 CA VAL A 75 4.811 -5.056 4.263 1.00 0.00 C ATOM 1078 C VAL A 75 6.292 -5.213 4.305 1.00 0.00 C ATOM 1079 O VAL A 75 7.009 -4.214 4.303 1.00 0.00 O ATOM 1080 CB VAL A 75 4.184 -5.297 5.604 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.899 -4.535 6.734 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.717 -4.838 5.533 1.00 0.00 C ATOM 0 H VAL A 75 3.625 -6.603 3.641 1.00 0.00 H new ATOM 0 HA VAL A 75 4.625 -4.016 3.995 1.00 0.00 H new ATOM 0 HB VAL A 75 4.263 -6.360 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.405 -4.744 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.939 -4.856 6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.859 -3.464 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.237 -5.003 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.679 -3.777 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.194 -5.408 4.765 1.00 0.00 H new ATOM 1092 N GLU A 76 6.830 -6.446 4.283 1.00 0.00 N ATOM 1093 CA GLU A 76 8.234 -6.710 4.222 1.00 0.00 C ATOM 1094 C GLU A 76 8.911 -6.040 3.077 1.00 0.00 C ATOM 1095 O GLU A 76 9.955 -5.407 3.230 1.00 0.00 O ATOM 1096 CB GLU A 76 8.544 -8.215 4.184 1.00 0.00 C ATOM 1097 CG GLU A 76 10.023 -8.538 4.401 1.00 0.00 C ATOM 1098 CD GLU A 76 10.389 -10.010 4.271 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.869 -10.857 5.046 1.00 0.00 O ATOM 1100 OE2 GLU A 76 11.268 -10.324 3.426 1.00 0.00 O ATOM 0 H GLU A 76 6.263 -7.294 4.309 1.00 0.00 H new ATOM 0 HA GLU A 76 8.634 -6.287 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.954 -8.719 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.229 -8.619 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.612 -7.968 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.312 -8.194 5.394 1.00 0.00 H new ATOM 1107 N THR A 77 8.282 -6.088 1.889 1.00 0.00 N ATOM 1108 CA THR A 77 8.722 -5.470 0.676 1.00 0.00 C ATOM 1109 C THR A 77 8.786 -3.985 0.777 1.00 0.00 C ATOM 1110 O THR A 77 9.810 -3.377 0.469 1.00 0.00 O ATOM 1111 CB THR A 77 7.850 -5.880 -0.473 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.903 -7.287 -0.655 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.297 -5.260 -1.808 1.00 0.00 C ATOM 0 H THR A 77 7.405 -6.594 1.769 1.00 0.00 H new ATOM 0 HA THR A 77 9.739 -5.820 0.496 1.00 0.00 H new ATOM 0 HB THR A 77 6.848 -5.533 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.292 -7.722 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.630 -5.591 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.262 -4.173 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.316 -5.576 -2.033 1.00 0.00 H new ATOM 1121 N LEU A 78 7.722 -3.312 1.250 1.00 0.00 N ATOM 1122 CA LEU A 78 7.689 -1.884 1.315 1.00 0.00 C ATOM 1123 C LEU A 78 8.390 -1.276 2.482 1.00 0.00 C ATOM 1124 O LEU A 78 8.652 -0.075 2.487 1.00 0.00 O ATOM 1125 CB LEU A 78 6.256 -1.333 1.245 1.00 0.00 C ATOM 1126 CG LEU A 78 5.591 -1.510 -0.131 1.00 0.00 C ATOM 1127 CD1 LEU A 78 4.123 -1.053 -0.069 1.00 0.00 C ATOM 1128 CD2 LEU A 78 6.316 -0.746 -1.251 1.00 0.00 C ATOM 0 H LEU A 78 6.874 -3.764 1.592 1.00 0.00 H new ATOM 0 HA LEU A 78 8.251 -1.587 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.647 -1.832 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.271 -0.273 1.497 1.00 0.00 H new ATOM 0 HG LEU A 78 5.650 -2.571 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.660 -1.182 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.587 -1.651 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.081 -0.002 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.800 -0.910 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.321 0.319 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.342 -1.105 -1.331 1.00 0.00 H new ATOM 1140 N ARG A 79 8.785 -2.046 3.513 1.00 0.00 N ATOM 1141 CA ARG A 79 9.676 -1.573 4.525 1.00 0.00 C ATOM 1142 C ARG A 79 11.089 -1.525 4.054 1.00 0.00 C ATOM 1143 O ARG A 79 11.872 -0.689 4.502 1.00 0.00 O ATOM 1144 CB ARG A 79 9.529 -2.385 5.823 1.00 0.00 C ATOM 1145 CG ARG A 79 8.258 -2.040 6.602 1.00 0.00 C ATOM 1146 CD ARG A 79 8.070 -2.851 7.885 1.00 0.00 C ATOM 1147 NE ARG A 79 6.892 -2.316 8.625 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.281 -2.967 9.656 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.633 -4.229 10.040 1.00 0.00 N ATOM 1150 NH2 ARG A 79 5.270 -2.341 10.326 1.00 0.00 N ATOM 0 H ARG A 79 8.481 -3.011 3.645 1.00 0.00 H new ATOM 0 HA ARG A 79 9.391 -0.545 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.524 -3.448 5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.397 -2.207 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.277 -0.980 6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.395 -2.198 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.919 -3.904 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.965 -2.789 8.505 1.00 0.00 H new ATOM 0 HE ARG A 79 6.521 -1.409 8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.380 -4.722 9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.149 -4.679 10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.983 -1.401 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.802 -2.813 11.100 1.00 0.00 H new ATOM 1164 N ASN A 80 11.503 -2.415 3.134 1.00 0.00 N ATOM 1165 CA ASN A 80 12.789 -2.403 2.508 1.00 0.00 C ATOM 1166 C ASN A 80 12.806 -1.819 1.138 1.00 0.00 C ATOM 1167 O ASN A 80 13.101 -2.500 0.158 1.00 0.00 O ATOM 1168 CB ASN A 80 13.357 -3.833 2.524 1.00 0.00 C ATOM 1169 CG ASN A 80 14.871 -3.866 2.371 1.00 0.00 C ATOM 1170 OD1 ASN A 80 15.567 -2.854 2.303 1.00 0.00 O ATOM 1171 ND2 ASN A 80 15.425 -5.109 2.355 1.00 0.00 N ATOM 0 H ASN A 80 10.911 -3.181 2.811 1.00 0.00 H new ATOM 0 HA ASN A 80 13.425 -1.734 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.080 -4.319 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.902 -4.409 1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.437 -5.215 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.828 -5.934 2.413 1.00 0.00 H new ATOM 1178 N THR A 81 12.528 -0.511 0.993 1.00 0.00 N ATOM 1179 CA THR A 81 12.597 0.178 -0.258 1.00 0.00 C ATOM 1180 C THR A 81 13.928 0.812 -0.476 1.00 0.00 C ATOM 1181 O THR A 81 14.698 0.387 -1.336 1.00 0.00 O ATOM 1182 CB THR A 81 11.532 1.210 -0.486 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.419 2.123 0.596 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.172 0.506 -0.623 1.00 0.00 C ATOM 0 H THR A 81 12.246 0.086 1.771 1.00 0.00 H new ATOM 0 HA THR A 81 12.427 -0.617 -0.984 1.00 0.00 H new ATOM 0 HB THR A 81 11.810 1.759 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.768 2.820 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.392 1.250 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.202 -0.183 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.956 -0.049 0.290 1.00 0.00 H new ATOM 1192 N GLY A 82 14.253 1.848 0.318 1.00 0.00 N ATOM 1193 CA GLY A 82 15.409 2.678 0.172 1.00 0.00 C ATOM 1194 C GLY A 82 15.015 4.094 -0.073 1.00 0.00 C ATOM 1195 O GLY A 82 14.259 4.672 0.706 1.00 0.00 O ATOM 0 H GLY A 82 13.673 2.123 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.022 2.617 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.019 2.317 -0.656 1.00 0.00 H new ATOM 1199 N GLN A 83 15.551 4.720 -1.136 1.00 0.00 N ATOM 1200 CA GLN A 83 15.368 6.105 -1.439 1.00 0.00 C ATOM 1201 C GLN A 83 14.110 6.423 -2.171 1.00 0.00 C ATOM 1202 O GLN A 83 13.429 7.393 -1.838 1.00 0.00 O ATOM 1203 CB GLN A 83 16.599 6.667 -2.171 1.00 0.00 C ATOM 1204 CG GLN A 83 16.580 8.185 -2.360 1.00 0.00 C ATOM 1205 CD GLN A 83 17.975 8.761 -2.559 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.743 8.878 -1.605 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.324 9.153 -3.813 1.00 0.00 N ATOM 0 H GLN A 83 16.139 4.238 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 83 15.261 6.603 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.495 6.393 -1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.674 6.192 -3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.961 8.434 -3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.118 8.651 -1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.665 9.043 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.245 9.557 -3.983 1.00 0.00 H new ATOM 1216 N VAL A 84 13.763 5.652 -3.217 1.00 0.00 N ATOM 1217 CA VAL A 84 12.748 6.011 -4.159 1.00 0.00 C ATOM 1218 C VAL A 84 11.575 5.092 -4.140 1.00 0.00 C ATOM 1219 O VAL A 84 11.702 3.895 -3.889 1.00 0.00 O ATOM 1220 CB VAL A 84 13.339 6.206 -5.524 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.651 4.877 -6.231 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.457 7.128 -6.383 1.00 0.00 C ATOM 0 H VAL A 84 14.201 4.752 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 84 12.336 6.971 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 84 14.300 6.702 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.076 5.079 -7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.365 4.308 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.733 4.301 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.910 7.252 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.467 6.686 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.369 8.101 -5.900 1.00 0.00 H new ATOM 1232 N VAL A 85 10.366 5.632 -4.375 1.00 0.00 N ATOM 1233 CA VAL A 85 9.106 4.964 -4.264 1.00 0.00 C ATOM 1234 C VAL A 85 8.343 5.075 -5.539 1.00 0.00 C ATOM 1235 O VAL A 85 7.889 6.149 -5.929 1.00 0.00 O ATOM 1236 CB VAL A 85 8.278 5.551 -3.159 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.894 4.888 -3.055 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.009 5.393 -1.815 1.00 0.00 C ATOM 0 H VAL A 85 10.263 6.605 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 85 9.312 3.917 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 85 8.133 6.606 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.331 5.346 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.354 5.025 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.015 3.823 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.402 5.822 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.177 4.335 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.967 5.910 -1.859 1.00 0.00 H new ATOM 1248 N HIS A 86 8.140 3.954 -6.254 1.00 0.00 N ATOM 1249 CA HIS A 86 7.365 3.910 -7.456 1.00 0.00 C ATOM 1250 C HIS A 86 6.222 2.967 -7.303 1.00 0.00 C ATOM 1251 O HIS A 86 6.414 1.755 -7.223 1.00 0.00 O ATOM 1252 CB HIS A 86 8.221 3.429 -8.640 1.00 0.00 C ATOM 1253 CG HIS A 86 9.360 4.357 -8.938 1.00 0.00 C ATOM 1254 ND1 HIS A 86 10.610 4.146 -8.394 1.00 0.00 N ATOM 1255 CD2 HIS A 86 9.339 5.526 -9.632 1.00 0.00 C ATOM 1256 CE1 HIS A 86 11.323 5.199 -8.745 1.00 0.00 C ATOM 1257 NE2 HIS A 86 10.602 6.069 -9.502 1.00 0.00 N ATOM 0 H HIS A 86 8.527 3.049 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 86 7.000 4.919 -7.647 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.613 2.436 -8.421 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.592 3.335 -9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 86 8.504 5.945 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.355 5.352 -8.465 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.930 6.950 -9.897 1.00 0.00 H new ATOM 1265 N LEU A 87 4.976 3.469 -7.255 1.00 0.00 N ATOM 1266 CA LEU A 87 3.831 2.654 -6.990 1.00 0.00 C ATOM 1267 C LEU A 87 2.742 2.920 -7.973 1.00 0.00 C ATOM 1268 O LEU A 87 2.604 4.017 -8.511 1.00 0.00 O ATOM 1269 CB LEU A 87 3.275 2.863 -5.571 1.00 0.00 C ATOM 1270 CG LEU A 87 4.258 2.554 -4.430 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.660 2.966 -3.075 1.00 0.00 C ATOM 1272 CD2 LEU A 87 4.673 1.074 -4.374 1.00 0.00 C ATOM 0 H LEU A 87 4.759 4.455 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 87 4.171 1.622 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.947 3.898 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.392 2.236 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 87 5.155 3.137 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.370 2.739 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.450 4.036 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.735 2.415 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.367 0.922 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.789 0.454 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.157 0.796 -5.310 1.00 0.00 H new ATOM 1284 N LEU A 88 1.907 1.896 -8.224 1.00 0.00 N ATOM 1285 CA LEU A 88 0.812 1.938 -9.144 1.00 0.00 C ATOM 1286 C LEU A 88 -0.404 1.637 -8.338 1.00 0.00 C ATOM 1287 O LEU A 88 -0.439 0.653 -7.601 1.00 0.00 O ATOM 1288 CB LEU A 88 0.939 0.861 -10.234 1.00 0.00 C ATOM 1289 CG LEU A 88 1.674 1.260 -11.525 1.00 0.00 C ATOM 1290 CD1 LEU A 88 0.817 2.207 -12.382 1.00 0.00 C ATOM 1291 CD2 LEU A 88 3.081 1.841 -11.302 1.00 0.00 C ATOM 0 H LEU A 88 2.001 0.992 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 88 0.779 2.909 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.453 0.001 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.064 0.531 -10.503 1.00 0.00 H new ATOM 0 HG LEU A 88 1.827 0.327 -12.068 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.362 2.472 -13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.115 1.710 -12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.595 3.111 -11.815 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.526 2.095 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.011 2.738 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.704 1.102 -10.797 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.439 2.492 -8.433 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.592 2.416 -7.591 1.00 0.00 C ATOM 1305 C LEU A 89 -3.818 2.861 -8.312 1.00 0.00 C ATOM 1306 O LEU A 89 -3.761 3.583 -9.307 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.436 3.203 -6.279 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.173 4.716 -6.362 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.337 5.329 -4.960 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.789 5.137 -6.885 1.00 0.00 C ATOM 0 H LEU A 89 -1.475 3.253 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.696 1.364 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.343 3.055 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.617 2.754 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.898 5.079 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.152 6.402 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.351 5.151 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.624 4.869 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.721 6.225 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.015 4.733 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.649 4.752 -7.895 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.994 2.413 -7.839 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.268 2.713 -8.414 1.00 0.00 C ATOM 1324 C GLU A 90 -7.007 3.636 -7.506 1.00 0.00 C ATOM 1325 O GLU A 90 -7.006 3.472 -6.288 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.061 1.416 -8.636 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.294 1.561 -9.530 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.005 0.227 -9.698 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.381 -0.779 -10.129 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.220 0.164 -9.367 1.00 0.00 O ATOM 0 H GLU A 90 -5.060 1.813 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.133 3.198 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.397 0.672 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.376 1.029 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.979 2.290 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.997 1.944 -10.506 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.663 4.658 -8.087 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.423 5.627 -7.360 1.00 0.00 C ATOM 1339 C LYS A 91 -9.683 5.053 -6.811 1.00 0.00 C ATOM 1340 O LYS A 91 -10.451 4.374 -7.491 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.724 6.854 -8.237 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.466 7.621 -8.651 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.727 8.761 -9.639 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.441 9.508 -9.996 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.703 10.607 -10.952 1.00 0.00 N ATOM 0 H LYS A 91 -7.664 4.814 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.814 5.943 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.256 6.531 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.390 7.526 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.992 8.029 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.758 6.923 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.178 8.360 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.445 9.459 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.989 9.912 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.722 8.812 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.811 11.094 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.111 10.217 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.371 11.283 -10.529 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.924 5.286 -5.508 1.00 0.00 N ATOM 1360 CA GLY A 92 -11.012 4.753 -4.749 1.00 0.00 C ATOM 1361 C GLY A 92 -12.287 5.514 -4.872 1.00 0.00 C ATOM 1362 O GLY A 92 -12.355 6.604 -5.437 1.00 0.00 O ATOM 0 H GLY A 92 -9.318 5.887 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.187 3.724 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.723 4.721 -3.698 1.00 0.00 H new ATOM 1366 N GLN A 93 -13.370 4.943 -4.316 1.00 0.00 N ATOM 1367 CA GLN A 93 -14.706 5.419 -4.497 1.00 0.00 C ATOM 1368 C GLN A 93 -15.148 6.386 -3.454 1.00 0.00 C ATOM 1369 O GLN A 93 -14.383 6.803 -2.586 1.00 0.00 O ATOM 1370 CB GLN A 93 -15.669 4.230 -4.662 1.00 0.00 C ATOM 1371 CG GLN A 93 -15.240 3.362 -5.846 1.00 0.00 C ATOM 1372 CD GLN A 93 -16.200 2.215 -6.129 1.00 0.00 C ATOM 1373 OE1 GLN A 93 -15.811 1.052 -6.029 1.00 0.00 O ATOM 1374 NE2 GLN A 93 -17.457 2.542 -6.533 1.00 0.00 N ATOM 0 H GLN A 93 -13.313 4.119 -3.718 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.721 6.003 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -15.681 3.633 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -16.684 4.594 -4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -15.159 3.987 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.248 2.956 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.732 3.522 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -18.124 1.807 -6.769 1.00 0.00 H new ATOM 1383 N SER A 94 -16.409 6.849 -3.529 1.00 0.00 N ATOM 1384 CA SER A 94 -16.865 8.011 -2.832 1.00 0.00 C ATOM 1385 C SER A 94 -17.160 7.782 -1.389 1.00 0.00 C ATOM 1386 O SER A 94 -17.751 6.753 -1.067 1.00 0.00 O ATOM 1387 CB SER A 94 -18.150 8.551 -3.482 1.00 0.00 C ATOM 1388 OG SER A 94 -18.489 9.848 -3.014 1.00 0.00 O ATOM 0 H SER A 94 -17.133 6.401 -4.091 1.00 0.00 H new ATOM 0 HA SER A 94 -16.041 8.721 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.022 8.580 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.973 7.867 -3.276 1.00 0.00 H new ATOM 0 HG SER A 94 -18.808 9.789 -2.089 1.00 0.00 H new ATOM 1394 N PRO A 95 -16.842 8.645 -0.471 1.00 0.00 N ATOM 1395 CA PRO A 95 -17.474 8.675 0.816 1.00 0.00 C ATOM 1396 C PRO A 95 -18.901 9.100 0.739 1.00 0.00 C ATOM 1397 O PRO A 95 -19.290 9.709 -0.257 1.00 0.00 O ATOM 1398 CB PRO A 95 -16.662 9.683 1.626 1.00 0.00 C ATOM 1399 CG PRO A 95 -15.294 9.721 0.926 1.00 0.00 C ATOM 1400 CD PRO A 95 -15.696 9.537 -0.547 1.00 0.00 C ATOM 0 HA PRO A 95 -17.490 7.682 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.135 10.665 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.568 9.373 2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.774 10.664 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.634 8.926 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.955 10.487 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.886 9.103 -1.134 1.00 0.00 H new ATOM 1408 N THR A 96 -19.716 8.802 1.766 1.00 0.00 N ATOM 1409 CA THR A 96 -21.128 9.028 1.771 1.00 0.00 C ATOM 1410 C THR A 96 -21.489 10.372 2.387 1.00 0.00 C ATOM 1411 O THR A 96 -22.130 11.208 1.695 1.00 0.00 O ATOM 1412 CB THR A 96 -21.895 7.996 2.543 1.00 0.00 C ATOM 1413 OG1 THR A 96 -21.319 7.788 3.824 1.00 0.00 O ATOM 1414 CG2 THR A 96 -21.869 6.653 1.793 1.00 0.00 C ATOM 1415 OXT THR A 96 -21.190 10.606 3.588 1.00 0.00 O ATOM 0 H THR A 96 -19.375 8.385 2.632 1.00 0.00 H new ATOM 0 HA THR A 96 -21.403 8.985 0.717 1.00 0.00 H new ATOM 0 HB THR A 96 -22.917 8.359 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 96 -21.079 8.652 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.428 5.909 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 96 -22.323 6.776 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.837 6.321 1.677 1.00 0.00 H new TER 1423 THR A 96 ATOM 1424 N PHE B 1 -18.836 -23.291 14.308 1.00 0.00 N ATOM 1425 CA PHE B 1 -18.279 -22.462 13.215 1.00 0.00 C ATOM 1426 C PHE B 1 -17.112 -23.139 12.582 1.00 0.00 C ATOM 1427 O PHE B 1 -17.296 -24.104 11.843 1.00 0.00 O ATOM 1428 CB PHE B 1 -17.940 -21.054 13.733 1.00 0.00 C ATOM 1429 CG PHE B 1 -19.160 -20.287 14.112 1.00 0.00 C ATOM 1430 CD1 PHE B 1 -19.987 -19.780 13.138 1.00 0.00 C ATOM 1431 CD2 PHE B 1 -19.471 -20.074 15.435 1.00 0.00 C ATOM 1432 CE1 PHE B 1 -21.119 -19.077 13.480 1.00 0.00 C ATOM 1433 CE2 PHE B 1 -20.599 -19.370 15.784 1.00 0.00 C ATOM 1434 CZ PHE B 1 -21.425 -18.873 14.805 1.00 0.00 C ATOM 0 H1 PHE B 1 -19.373 -22.687 14.962 1.00 0.00 H new ATOM 0 H2 PHE B 1 -19.467 -24.015 13.908 1.00 0.00 H new ATOM 0 H3 PHE B 1 -18.060 -23.754 14.822 1.00 0.00 H new ATOM 0 HA PHE B 1 -19.031 -22.344 12.435 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -17.280 -21.135 14.597 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -17.393 -20.508 12.965 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -19.746 -19.935 12.097 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -18.823 -20.463 16.206 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -21.766 -18.686 12.709 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -20.835 -19.208 16.825 1.00 0.00 H new ATOM 0 HZ PHE B 1 -22.314 -18.323 15.076 1.00 0.00 H new ATOM 1446 N ALA B 2 -15.866 -22.691 12.820 1.00 0.00 N ATOM 1447 CA ALA B 2 -14.697 -23.284 12.249 1.00 0.00 C ATOM 1448 C ALA B 2 -14.166 -24.475 12.972 1.00 0.00 C ATOM 1449 O ALA B 2 -14.187 -25.589 12.451 1.00 0.00 O ATOM 1450 CB ALA B 2 -13.592 -22.219 12.136 1.00 0.00 C ATOM 0 H ALA B 2 -15.666 -21.895 13.426 1.00 0.00 H new ATOM 0 HA ALA B 2 -15.006 -23.655 11.272 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -12.698 -22.667 11.701 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -13.936 -21.404 11.500 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -13.358 -21.831 13.127 1.00 0.00 H new ATOM 1456 N ASP B 3 -13.614 -24.269 14.181 1.00 0.00 N ATOM 1457 CA ASP B 3 -12.808 -25.183 14.929 1.00 0.00 C ATOM 1458 C ASP B 3 -11.684 -25.795 14.165 1.00 0.00 C ATOM 1459 O ASP B 3 -11.401 -26.990 14.244 1.00 0.00 O ATOM 1460 CB ASP B 3 -13.638 -26.187 15.747 1.00 0.00 C ATOM 1461 CG ASP B 3 -14.279 -25.512 16.951 1.00 0.00 C ATOM 1462 OD1 ASP B 3 -13.533 -24.920 17.776 1.00 0.00 O ATOM 1463 OD2 ASP B 3 -15.525 -25.593 17.114 1.00 0.00 O ATOM 0 H ASP B 3 -13.744 -23.387 14.676 1.00 0.00 H new ATOM 0 HA ASP B 3 -12.297 -24.563 15.666 1.00 0.00 H new ATOM 0 HB2 ASP B 3 -14.412 -26.624 15.116 1.00 0.00 H new ATOM 0 HB3 ASP B 3 -13.000 -27.005 16.081 1.00 0.00 H new ATOM 1468 N SER B 4 -10.962 -24.945 13.413 1.00 0.00 N ATOM 1469 CA SER B 4 -9.814 -25.285 12.631 1.00 0.00 C ATOM 1470 C SER B 4 -8.574 -24.897 13.360 1.00 0.00 C ATOM 1471 O SER B 4 -8.626 -24.306 14.438 1.00 0.00 O ATOM 1472 CB SER B 4 -9.792 -24.516 11.300 1.00 0.00 C ATOM 1473 OG SER B 4 -10.993 -24.700 10.563 1.00 0.00 O ATOM 0 H SER B 4 -11.197 -23.955 13.348 1.00 0.00 H new ATOM 0 HA SER B 4 -9.861 -26.358 12.448 1.00 0.00 H new ATOM 0 HB2 SER B 4 -9.646 -23.454 11.497 1.00 0.00 H new ATOM 0 HB3 SER B 4 -8.944 -24.849 10.702 1.00 0.00 H new ATOM 0 HG SER B 4 -10.943 -24.195 9.725 1.00 0.00 H new ATOM 1479 N GLU B 5 -7.389 -25.153 12.777 1.00 0.00 N ATOM 1480 CA GLU B 5 -6.159 -24.566 13.209 1.00 0.00 C ATOM 1481 C GLU B 5 -5.896 -23.291 12.483 1.00 0.00 C ATOM 1482 O GLU B 5 -6.490 -22.995 11.448 1.00 0.00 O ATOM 1483 CB GLU B 5 -4.977 -25.530 13.010 1.00 0.00 C ATOM 1484 CG GLU B 5 -4.564 -26.257 14.291 1.00 0.00 C ATOM 1485 CD GLU B 5 -3.892 -25.384 15.341 1.00 0.00 C ATOM 1486 OE1 GLU B 5 -3.737 -24.147 15.153 1.00 0.00 O ATOM 1487 OE2 GLU B 5 -3.473 -25.967 16.376 1.00 0.00 O ATOM 0 H GLU B 5 -7.284 -25.785 11.984 1.00 0.00 H new ATOM 0 HA GLU B 5 -6.257 -24.355 14.274 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -5.242 -26.267 12.252 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.123 -24.972 12.626 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.450 -26.713 14.733 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -3.886 -27.068 14.027 1.00 0.00 H new ATOM 1494 N ALA B 6 -4.965 -22.473 13.004 1.00 0.00 N ATOM 1495 CA ALA B 6 -4.613 -21.214 12.423 1.00 0.00 C ATOM 1496 C ALA B 6 -3.634 -21.344 11.306 1.00 0.00 C ATOM 1497 O ALA B 6 -2.679 -22.114 11.386 1.00 0.00 O ATOM 1498 CB ALA B 6 -4.011 -20.305 13.509 1.00 0.00 C ATOM 0 H ALA B 6 -4.442 -22.692 13.852 1.00 0.00 H new ATOM 0 HA ALA B 6 -5.526 -20.785 12.010 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.741 -19.344 13.071 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -4.744 -20.150 14.301 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.121 -20.776 13.926 1.00 0.00 H new ATOM 1504 N ASP B 7 -3.811 -20.565 10.225 1.00 0.00 N ATOM 1505 CA ASP B 7 -2.831 -20.373 9.200 1.00 0.00 C ATOM 1506 C ASP B 7 -1.972 -19.225 9.604 1.00 0.00 C ATOM 1507 O ASP B 7 -2.214 -18.077 9.232 1.00 0.00 O ATOM 1508 CB ASP B 7 -3.461 -20.085 7.828 1.00 0.00 C ATOM 1509 CG ASP B 7 -4.122 -21.332 7.257 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -5.237 -21.695 7.718 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -3.534 -21.948 6.329 1.00 0.00 O ATOM 0 H ASP B 7 -4.673 -20.047 10.057 1.00 0.00 H new ATOM 0 HA ASP B 7 -2.254 -21.291 9.094 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -4.200 -19.289 7.923 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -2.695 -19.728 7.140 1.00 0.00 H new ATOM 1516 N GLU B 8 -0.963 -19.505 10.448 1.00 0.00 N ATOM 1517 CA GLU B 8 -0.134 -18.581 11.157 1.00 0.00 C ATOM 1518 C GLU B 8 -0.818 -17.415 11.783 1.00 0.00 C ATOM 1519 O GLU B 8 -1.574 -17.599 12.735 1.00 0.00 O ATOM 1520 CB GLU B 8 1.164 -18.262 10.397 1.00 0.00 C ATOM 1521 CG GLU B 8 2.305 -17.885 11.345 1.00 0.00 C ATOM 1522 CD GLU B 8 3.589 -17.519 10.617 1.00 0.00 C ATOM 1523 OE1 GLU B 8 3.706 -16.346 10.172 1.00 0.00 O ATOM 1524 OE2 GLU B 8 4.519 -18.367 10.558 1.00 0.00 O ATOM 0 H GLU B 8 -0.705 -20.471 10.652 1.00 0.00 H new ATOM 0 HA GLU B 8 0.172 -19.121 12.053 1.00 0.00 H new ATOM 0 HB2 GLU B 8 1.458 -19.127 9.802 1.00 0.00 H new ATOM 0 HB3 GLU B 8 0.985 -17.442 9.701 1.00 0.00 H new ATOM 0 HG2 GLU B 8 1.993 -17.044 11.963 1.00 0.00 H new ATOM 0 HG3 GLU B 8 2.501 -18.720 12.018 1.00 0.00 H new ATOM 1531 N ASN B 9 -0.591 -16.173 11.320 1.00 0.00 N ATOM 1532 CA ASN B 9 -1.141 -15.011 11.945 1.00 0.00 C ATOM 1533 C ASN B 9 -1.520 -13.956 10.963 1.00 0.00 C ATOM 1534 O ASN B 9 -0.905 -13.793 9.910 1.00 0.00 O ATOM 1535 CB ASN B 9 -0.140 -14.366 12.918 1.00 0.00 C ATOM 1536 CG ASN B 9 0.145 -15.279 14.100 1.00 0.00 C ATOM 1537 OD1 ASN B 9 -0.753 -15.609 14.874 1.00 0.00 O ATOM 1538 ND2 ASN B 9 1.434 -15.680 14.270 1.00 0.00 N ATOM 0 H ASN B 9 -0.018 -15.973 10.500 1.00 0.00 H new ATOM 0 HA ASN B 9 -2.027 -15.368 12.470 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.790 -14.145 12.394 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -0.538 -13.416 13.276 1.00 0.00 H new ATOM 0 HD21 ASN B 9 1.683 -16.275 15.060 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.151 -15.386 13.607 1.00 0.00 H new ATOM 1545 N GLU B 10 -2.558 -13.172 11.307 1.00 0.00 N ATOM 1546 CA GLU B 10 -3.014 -12.029 10.580 1.00 0.00 C ATOM 1547 C GLU B 10 -3.066 -10.855 11.496 1.00 0.00 C ATOM 1548 O GLU B 10 -3.587 -10.969 12.605 1.00 0.00 O ATOM 1549 CB GLU B 10 -4.420 -12.268 10.004 1.00 0.00 C ATOM 1550 CG GLU B 10 -4.502 -13.450 9.035 1.00 0.00 C ATOM 1551 CD GLU B 10 -4.057 -13.146 7.612 1.00 0.00 C ATOM 1552 OE1 GLU B 10 -2.979 -12.530 7.399 1.00 0.00 O ATOM 1553 OE2 GLU B 10 -4.776 -13.610 6.686 1.00 0.00 O ATOM 0 H GLU B 10 -3.112 -13.348 12.145 1.00 0.00 H new ATOM 0 HA GLU B 10 -2.322 -11.845 9.758 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -5.115 -12.437 10.827 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -4.749 -11.365 9.489 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -3.890 -14.264 9.425 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -5.531 -13.809 9.009 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.545 -9.682 11.094 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.629 -8.505 11.903 1.00 0.00 C ATOM 1562 C GLN B 11 -2.629 -7.259 11.084 1.00 0.00 C ATOM 1563 O GLN B 11 -2.989 -7.267 9.908 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.598 -8.464 13.043 1.00 0.00 C ATOM 1565 CG GLN B 11 -0.121 -8.403 12.649 1.00 0.00 C ATOM 1566 CD GLN B 11 0.726 -7.979 13.840 1.00 0.00 C ATOM 1567 OE1 GLN B 11 0.663 -6.843 14.307 1.00 0.00 O ATOM 1568 NE2 GLN B 11 1.566 -8.899 14.383 1.00 0.00 N ATOM 0 H GLN B 11 -2.063 -9.548 10.205 1.00 0.00 H new ATOM 0 HA GLN B 11 -3.598 -8.558 12.399 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.817 -7.597 13.666 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.746 -9.348 13.664 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.207 -9.378 12.290 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.015 -7.699 11.828 1.00 0.00 H new ATOM 0 HE21 GLN B 11 1.614 -9.840 13.991 1.00 0.00 H new ATOM 0 HE22 GLN B 11 2.148 -8.649 15.182 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.249 -6.117 11.683 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.363 -4.801 11.134 1.00 0.00 C ATOM 1579 C VAL B 12 -0.987 -4.230 11.099 1.00 0.00 C ATOM 1580 O VAL B 12 -0.204 -4.406 12.031 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.271 -3.946 11.968 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.438 -2.542 11.364 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.654 -4.613 12.068 1.00 0.00 C ATOM 0 H VAL B 12 -1.834 -6.113 12.615 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.797 -4.837 10.135 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.821 -3.845 12.956 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.102 -1.951 11.995 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.465 -2.054 11.304 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.865 -2.624 10.365 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.314 -3.992 12.674 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.077 -4.726 11.070 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.552 -5.594 12.532 1.00 0.00 H new ATOM 1593 N SER B 13 -0.600 -3.564 9.997 1.00 0.00 N ATOM 1594 CA SER B 13 0.736 -3.101 9.774 1.00 0.00 C ATOM 1595 C SER B 13 0.758 -1.656 9.413 1.00 0.00 C ATOM 1596 O SER B 13 -0.268 -1.044 9.122 1.00 0.00 O ATOM 1597 CB SER B 13 1.436 -3.846 8.626 1.00 0.00 C ATOM 1598 OG SER B 13 1.424 -5.245 8.868 1.00 0.00 O ATOM 0 H SER B 13 -1.239 -3.339 9.234 1.00 0.00 H new ATOM 0 HA SER B 13 1.258 -3.284 10.713 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.934 -3.629 7.683 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.464 -3.495 8.529 1.00 0.00 H new ATOM 0 HG SER B 13 0.609 -5.636 8.489 1.00 0.00 H new ATOM 1604 N ALA B 14 1.962 -1.057 9.427 1.00 0.00 N ATOM 1605 CA ALA B 14 2.150 0.323 9.102 1.00 0.00 C ATOM 1606 C ALA B 14 3.502 0.537 8.515 1.00 0.00 C ATOM 1607 O ALA B 14 4.500 0.016 9.012 1.00 0.00 O ATOM 1608 CB ALA B 14 1.971 1.172 10.372 1.00 0.00 C ATOM 0 H ALA B 14 2.825 -1.543 9.670 1.00 0.00 H new ATOM 0 HA ALA B 14 1.409 0.625 8.362 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.114 2.225 10.129 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.967 1.024 10.770 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.705 0.869 11.118 1.00 0.00 H new ATOM 1614 N VAL B 15 3.569 1.298 7.408 1.00 0.00 N ATOM 1615 CA VAL B 15 4.757 1.760 6.760 1.00 0.00 C ATOM 1616 C VAL B 15 4.423 3.030 5.990 1.00 0.00 C ATOM 1617 O VAL B 15 3.311 3.153 5.412 1.00 0.00 O ATOM 1618 CB VAL B 15 5.445 0.730 5.915 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.592 0.273 4.720 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.812 1.250 5.442 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.269 3.963 5.989 1.00 0.00 O ATOM 0 H VAL B 15 2.725 1.614 6.930 1.00 0.00 H new ATOM 0 HA VAL B 15 5.496 1.980 7.530 1.00 0.00 H new ATOM 0 HB VAL B 15 5.595 -0.148 6.544 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.141 -0.472 4.145 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.661 -0.162 5.083 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.368 1.129 4.084 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.298 0.490 4.830 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.672 2.156 4.853 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.436 1.473 6.308 1.00 0.00 H new TER 1631 VAL B 15