USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.435 (180deg=-1.24) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 88 MET CE :methyl 168:sc= 0 (180deg=-0.343) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.022) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.6!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 16.921 1.892 -12.083 1.00 0.00 N ATOM 2 CA ALA A 47 16.980 2.184 -10.623 1.00 0.00 C ATOM 3 C ALA A 47 15.566 2.404 -10.099 1.00 0.00 C ATOM 4 O ALA A 47 14.682 2.856 -10.828 1.00 0.00 O ATOM 5 CB ALA A 47 17.818 3.432 -10.337 1.00 0.00 C ATOM 0 HA ALA A 47 17.447 1.335 -10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.841 3.617 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.834 3.279 -10.700 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.377 4.290 -10.844 1.00 0.00 H new ATOM 13 N GLY A 48 15.361 2.079 -8.826 1.00 0.00 N ATOM 14 CA GLY A 48 14.049 2.245 -8.208 1.00 0.00 C ATOM 15 C GLY A 48 14.169 2.303 -6.690 1.00 0.00 C ATOM 16 O GLY A 48 14.486 1.307 -6.038 1.00 0.00 O ATOM 0 H GLY A 48 16.079 1.703 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.582 3.159 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.400 1.418 -8.495 1.00 0.00 H new ATOM 20 N ALA A 49 13.910 3.482 -6.133 1.00 0.00 N ATOM 21 CA ALA A 49 13.992 3.665 -4.686 1.00 0.00 C ATOM 22 C ALA A 49 13.005 4.735 -4.229 1.00 0.00 C ATOM 23 O ALA A 49 13.290 5.525 -3.328 1.00 0.00 O ATOM 24 CB ALA A 49 15.407 4.080 -4.278 1.00 0.00 C ATOM 0 H ALA A 49 13.644 4.318 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 49 13.744 2.716 -4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.450 4.212 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.114 3.306 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.667 5.018 -4.769 1.00 0.00 H new ATOM 30 N GLY A 50 11.835 4.752 -4.864 1.00 0.00 N ATOM 31 CA GLY A 50 10.805 5.728 -4.521 1.00 0.00 C ATOM 32 C GLY A 50 10.371 5.571 -3.067 1.00 0.00 C ATOM 33 O GLY A 50 10.378 4.470 -2.517 1.00 0.00 O ATOM 0 H GLY A 50 11.579 4.107 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.185 6.737 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.944 5.601 -5.178 1.00 0.00 H new ATOM 37 N LYS A 51 9.991 6.688 -2.452 1.00 0.00 N ATOM 38 CA LYS A 51 9.551 6.668 -1.060 1.00 0.00 C ATOM 39 C LYS A 51 8.223 7.402 -0.912 1.00 0.00 C ATOM 40 O LYS A 51 7.847 8.215 -1.757 1.00 0.00 O ATOM 41 CB LYS A 51 10.594 7.335 -0.160 1.00 0.00 C ATOM 42 CG LYS A 51 10.218 7.119 1.307 1.00 0.00 C ATOM 43 CD LYS A 51 11.395 7.512 2.200 1.00 0.00 C ATOM 44 CE LYS A 51 11.022 7.284 3.666 1.00 0.00 C ATOM 45 NZ LYS A 51 10.403 8.501 4.266 1.00 0.00 N ATOM 0 H LYS A 51 9.979 7.609 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 51 9.426 5.628 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.581 6.917 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.649 8.401 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.341 7.715 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.953 6.075 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.274 6.922 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.654 8.558 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.328 6.447 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.913 7.011 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.162 8.314 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.075 9.293 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.540 8.746 3.741 1.00 0.00 H new ATOM 59 N ALA A 52 7.514 7.105 0.173 1.00 0.00 N ATOM 60 CA ALA A 52 6.224 7.740 0.427 1.00 0.00 C ATOM 61 C ALA A 52 6.331 8.718 1.593 1.00 0.00 C ATOM 62 O ALA A 52 7.394 8.875 2.195 1.00 0.00 O ATOM 63 CB ALA A 52 5.163 6.682 0.749 1.00 0.00 C ATOM 0 H ALA A 52 7.807 6.435 0.885 1.00 0.00 H new ATOM 0 HA ALA A 52 5.931 8.283 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.207 7.171 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.063 5.999 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.464 6.123 1.635 1.00 0.00 H new ATOM 69 N GLY A 53 5.216 9.373 1.906 1.00 0.00 N ATOM 70 CA GLY A 53 5.193 10.335 3.004 1.00 0.00 C ATOM 71 C GLY A 53 4.139 11.410 2.761 1.00 0.00 C ATOM 72 O GLY A 53 3.366 11.754 3.654 1.00 0.00 O ATOM 0 H GLY A 53 4.326 9.257 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.983 9.819 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.174 10.798 3.108 1.00 0.00 H new ATOM 76 N GLU A 54 4.119 11.939 1.540 1.00 0.00 N ATOM 77 CA GLU A 54 3.156 12.980 1.188 1.00 0.00 C ATOM 78 C GLU A 54 2.156 12.458 0.162 1.00 0.00 C ATOM 79 O GLU A 54 2.418 12.462 -1.041 1.00 0.00 O ATOM 80 CB GLU A 54 3.875 14.200 0.608 1.00 0.00 C ATOM 81 CG GLU A 54 3.070 15.463 0.922 1.00 0.00 C ATOM 82 CD GLU A 54 3.887 16.693 0.541 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.993 16.967 -0.644 1.00 0.00 O ATOM 84 OE2 GLU A 54 4.394 17.344 1.439 1.00 0.00 O ATOM 0 H GLU A 54 4.750 11.668 0.786 1.00 0.00 H new ATOM 0 HA GLU A 54 2.626 13.268 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.877 14.280 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.991 14.089 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.129 15.454 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.819 15.494 1.982 1.00 0.00 H new ATOM 91 N GLY A 55 1.003 12.012 0.652 1.00 0.00 N ATOM 92 CA GLY A 55 -0.038 11.490 -0.230 1.00 0.00 C ATOM 93 C GLY A 55 0.074 9.976 -0.366 1.00 0.00 C ATOM 94 O GLY A 55 -0.895 9.245 -0.155 1.00 0.00 O ATOM 0 H GLY A 55 0.766 12.001 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.020 11.752 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.045 11.955 -1.212 1.00 0.00 H new ATOM 98 N GLU A 56 1.269 9.513 -0.721 1.00 0.00 N ATOM 99 CA GLU A 56 1.503 8.081 -0.884 1.00 0.00 C ATOM 100 C GLU A 56 1.775 7.427 0.467 1.00 0.00 C ATOM 101 O GLU A 56 2.546 7.942 1.277 1.00 0.00 O ATOM 102 CB GLU A 56 2.703 7.834 -1.805 1.00 0.00 C ATOM 103 CG GLU A 56 2.540 8.634 -3.106 1.00 0.00 C ATOM 104 CD GLU A 56 3.589 9.742 -3.168 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.758 9.433 -3.009 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.207 10.883 -3.375 1.00 0.00 O ATOM 0 H GLU A 56 2.083 10.101 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 56 0.608 7.644 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.625 8.126 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.786 6.771 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.646 7.972 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.540 9.065 -3.156 1.00 0.00 H new ATOM 113 N ILE A 57 1.136 6.283 0.699 1.00 0.00 N ATOM 114 CA ILE A 57 1.321 5.565 1.956 1.00 0.00 C ATOM 115 C ILE A 57 2.628 4.759 1.911 1.00 0.00 C ATOM 116 O ILE A 57 2.795 3.897 1.049 1.00 0.00 O ATOM 117 CB ILE A 57 0.151 4.607 2.205 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.169 5.390 2.158 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.305 3.936 3.575 1.00 0.00 C ATOM 120 CD1 ILE A 57 -1.202 6.471 3.247 1.00 0.00 C ATOM 0 H ILE A 57 0.494 5.838 0.043 1.00 0.00 H new ATOM 0 HA ILE A 57 1.365 6.295 2.764 1.00 0.00 H new ATOM 0 HB ILE A 57 0.146 3.838 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.288 5.852 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.007 4.706 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.531 3.257 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.239 3.375 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.316 4.698 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.147 7.012 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.106 6.003 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.376 7.166 3.095 1.00 0.00 H new ATOM 132 N PRO A 58 3.569 5.022 2.831 1.00 0.00 N ATOM 133 CA PRO A 58 4.850 4.298 2.862 1.00 0.00 C ATOM 134 C PRO A 58 4.685 2.859 3.345 1.00 0.00 C ATOM 135 O PRO A 58 4.098 2.605 4.397 1.00 0.00 O ATOM 136 CB PRO A 58 5.702 5.096 3.845 1.00 0.00 C ATOM 137 CG PRO A 58 4.725 5.789 4.730 1.00 0.00 C ATOM 138 CD PRO A 58 3.490 6.024 3.910 1.00 0.00 C ATOM 0 HA PRO A 58 5.294 4.222 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.359 4.442 4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.339 5.811 3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.498 5.181 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.133 6.732 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.587 5.895 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.466 7.038 3.510 1.00 0.00 H new ATOM 146 N ALA A 59 5.209 1.920 2.561 1.00 0.00 N ATOM 147 CA ALA A 59 5.114 0.506 2.915 1.00 0.00 C ATOM 148 C ALA A 59 5.819 0.239 4.249 1.00 0.00 C ATOM 149 O ALA A 59 6.865 0.823 4.530 1.00 0.00 O ATOM 150 CB ALA A 59 5.754 -0.361 1.830 1.00 0.00 C ATOM 0 H ALA A 59 5.698 2.109 1.686 1.00 0.00 H new ATOM 0 HA ALA A 59 4.058 0.252 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.674 -1.411 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.239 -0.198 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.805 -0.093 1.723 1.00 0.00 H new ATOM 156 N PRO A 60 5.258 -0.646 5.086 1.00 0.00 N ATOM 157 CA PRO A 60 5.852 -0.976 6.390 1.00 0.00 C ATOM 158 C PRO A 60 7.098 -1.850 6.257 1.00 0.00 C ATOM 159 O PRO A 60 7.987 -1.821 7.106 1.00 0.00 O ATOM 160 CB PRO A 60 4.747 -1.735 7.118 1.00 0.00 C ATOM 161 CG PRO A 60 3.896 -2.315 6.040 1.00 0.00 C ATOM 162 CD PRO A 60 4.012 -1.401 4.853 1.00 0.00 C ATOM 0 HA PRO A 60 6.183 -0.081 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.160 -2.516 7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.170 -1.070 7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.228 -3.322 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.859 -2.394 6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.058 -1.965 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.152 -0.735 4.780 1.00 0.00 H new ATOM 170 N LEU A 61 7.148 -2.628 5.179 1.00 0.00 N ATOM 171 CA LEU A 61 8.288 -3.510 4.941 1.00 0.00 C ATOM 172 C LEU A 61 8.340 -3.931 3.476 1.00 0.00 C ATOM 173 O LEU A 61 7.342 -3.857 2.759 1.00 0.00 O ATOM 174 CB LEU A 61 8.188 -4.761 5.815 1.00 0.00 C ATOM 175 CG LEU A 61 6.857 -5.513 5.736 1.00 0.00 C ATOM 176 CD1 LEU A 61 6.918 -6.542 4.604 1.00 0.00 C ATOM 177 CD2 LEU A 61 6.598 -6.232 7.061 1.00 0.00 C ATOM 0 H LEU A 61 6.422 -2.667 4.464 1.00 0.00 H new ATOM 0 HA LEU A 61 9.196 -2.962 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.989 -5.445 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.363 -4.474 6.852 1.00 0.00 H new ATOM 0 HG LEU A 61 6.052 -4.805 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.970 -7.078 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.104 -6.032 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.724 -7.250 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.650 -6.768 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.404 -6.940 7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.555 -5.502 7.869 1.00 0.00 H new ATOM 189 N ALA A 62 9.516 -4.373 3.042 1.00 0.00 N ATOM 190 CA ALA A 62 9.693 -4.804 1.658 1.00 0.00 C ATOM 191 C ALA A 62 9.196 -6.235 1.479 1.00 0.00 C ATOM 192 O ALA A 62 9.620 -7.149 2.188 1.00 0.00 O ATOM 193 CB ALA A 62 11.167 -4.735 1.258 1.00 0.00 C ATOM 0 H ALA A 62 10.353 -4.442 3.621 1.00 0.00 H new ATOM 0 HA ALA A 62 9.114 -4.135 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.279 -5.060 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.523 -3.710 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.751 -5.386 1.908 1.00 0.00 H new ATOM 199 N GLY A 63 8.291 -6.420 0.522 1.00 0.00 N ATOM 200 CA GLY A 63 7.739 -7.744 0.253 1.00 0.00 C ATOM 201 C GLY A 63 7.153 -7.812 -1.152 1.00 0.00 C ATOM 202 O GLY A 63 7.717 -7.266 -2.101 1.00 0.00 O ATOM 0 H GLY A 63 7.927 -5.677 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.519 -8.497 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.966 -7.976 0.986 1.00 0.00 H new ATOM 206 N THR A 64 6.014 -8.487 -1.275 1.00 0.00 N ATOM 207 CA THR A 64 5.356 -8.621 -2.572 1.00 0.00 C ATOM 208 C THR A 64 3.854 -8.403 -2.431 1.00 0.00 C ATOM 209 O THR A 64 3.231 -8.868 -1.476 1.00 0.00 O ATOM 210 CB THR A 64 5.606 -10.012 -3.159 1.00 0.00 C ATOM 211 OG1 THR A 64 6.990 -10.320 -3.072 1.00 0.00 O ATOM 212 CG2 THR A 64 5.167 -10.035 -4.624 1.00 0.00 C ATOM 0 H THR A 64 5.531 -8.945 -0.502 1.00 0.00 H new ATOM 0 HA THR A 64 5.772 -7.867 -3.240 1.00 0.00 H new ATOM 0 HB THR A 64 5.034 -10.751 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.151 -11.211 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.345 -11.026 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.105 -9.799 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.738 -9.296 -5.186 1.00 0.00 H new ATOM 220 N VAL A 65 3.278 -7.691 -3.395 1.00 0.00 N ATOM 221 CA VAL A 65 1.844 -7.417 -3.372 1.00 0.00 C ATOM 222 C VAL A 65 1.059 -8.693 -3.660 1.00 0.00 C ATOM 223 O VAL A 65 1.269 -9.351 -4.680 1.00 0.00 O ATOM 224 CB VAL A 65 1.484 -6.354 -4.414 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.011 -5.966 -4.268 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.355 -5.113 -4.203 1.00 0.00 C ATOM 0 H VAL A 65 3.775 -7.297 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 65 1.583 -7.047 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 65 1.657 -6.758 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.241 -5.209 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.614 -6.846 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.162 -5.566 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.098 -4.357 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.183 -4.713 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.406 -5.383 -4.310 1.00 0.00 H new ATOM 236 N SER A 66 0.155 -9.036 -2.748 1.00 0.00 N ATOM 237 CA SER A 66 -0.657 -10.239 -2.909 1.00 0.00 C ATOM 238 C SER A 66 -2.031 -9.890 -3.474 1.00 0.00 C ATOM 239 O SER A 66 -2.459 -10.441 -4.487 1.00 0.00 O ATOM 240 CB SER A 66 -0.837 -10.947 -1.566 1.00 0.00 C ATOM 241 OG SER A 66 -1.489 -12.192 -1.776 1.00 0.00 O ATOM 0 H SER A 66 -0.033 -8.505 -1.898 1.00 0.00 H new ATOM 0 HA SER A 66 -0.138 -10.900 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.132 -11.106 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.424 -10.325 -0.890 1.00 0.00 H new ATOM 0 HG SER A 66 -1.605 -12.650 -0.917 1.00 0.00 H new ATOM 247 N LYS A 67 -2.718 -8.970 -2.802 1.00 0.00 N ATOM 248 CA LYS A 67 -4.049 -8.558 -3.244 1.00 0.00 C ATOM 249 C LYS A 67 -4.351 -7.137 -2.779 1.00 0.00 C ATOM 250 O LYS A 67 -3.942 -6.721 -1.695 1.00 0.00 O ATOM 251 CB LYS A 67 -5.113 -9.506 -2.682 1.00 0.00 C ATOM 252 CG LYS A 67 -6.477 -9.169 -3.287 1.00 0.00 C ATOM 253 CD LYS A 67 -7.330 -10.437 -3.361 1.00 0.00 C ATOM 254 CE LYS A 67 -8.188 -10.551 -2.100 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.349 -10.536 -0.868 1.00 0.00 N ATOM 0 H LYS A 67 -2.382 -8.501 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.069 -8.593 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.849 -10.539 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.155 -9.419 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.979 -8.415 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.350 -8.745 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.967 -10.408 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.689 -11.314 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.900 -9.727 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.769 -11.473 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.893 -10.928 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.496 -11.111 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.072 -9.558 -0.649 1.00 0.00 H new ATOM 269 N ILE A 68 -5.077 -6.399 -3.613 1.00 0.00 N ATOM 270 CA ILE A 68 -5.440 -5.022 -3.283 1.00 0.00 C ATOM 271 C ILE A 68 -6.869 -4.969 -2.752 1.00 0.00 C ATOM 272 O ILE A 68 -7.776 -5.590 -3.307 1.00 0.00 O ATOM 273 CB ILE A 68 -5.332 -4.125 -4.519 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.948 -4.292 -5.153 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.528 -2.664 -4.110 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.969 -3.735 -6.578 1.00 0.00 C ATOM 0 H ILE A 68 -5.424 -6.726 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.751 -4.663 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.100 -4.408 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.198 -3.770 -4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.667 -5.345 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.451 -2.026 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.512 -2.542 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.760 -2.382 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.984 -3.854 -7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.707 -4.277 -7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.231 -2.677 -6.551 1.00 0.00 H new ATOM 288 N LEU A 69 -7.060 -4.222 -1.670 1.00 0.00 N ATOM 289 CA LEU A 69 -8.384 -4.095 -1.069 1.00 0.00 C ATOM 290 C LEU A 69 -9.056 -2.803 -1.519 1.00 0.00 C ATOM 291 O LEU A 69 -10.238 -2.789 -1.864 1.00 0.00 O ATOM 292 CB LEU A 69 -8.282 -4.100 0.458 1.00 0.00 C ATOM 293 CG LEU A 69 -7.833 -5.424 1.080 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.114 -5.150 2.402 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.057 -6.306 1.338 1.00 0.00 C ATOM 0 H LEU A 69 -6.324 -3.700 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.982 -4.945 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.584 -3.320 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.255 -3.835 0.871 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.154 -5.934 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.794 -6.093 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.243 -4.521 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.792 -4.640 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.739 -7.250 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.736 -5.795 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.569 -6.502 0.396 1.00 0.00 H new ATOM 307 N VAL A 70 -8.290 -1.716 -1.514 1.00 0.00 N ATOM 308 CA VAL A 70 -8.825 -0.420 -1.927 1.00 0.00 C ATOM 309 C VAL A 70 -8.440 -0.119 -3.372 1.00 0.00 C ATOM 310 O VAL A 70 -7.351 -0.470 -3.826 1.00 0.00 O ATOM 311 CB VAL A 70 -8.297 0.695 -1.019 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.750 0.438 0.419 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.766 0.727 -1.071 1.00 0.00 C ATOM 0 H VAL A 70 -7.310 -1.704 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.911 -0.463 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.689 1.652 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.375 1.231 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.839 0.421 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.359 -0.522 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.396 1.522 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.370 -0.230 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.441 0.912 -2.095 1.00 0.00 H new ATOM 323 N LYS A 71 -9.346 0.538 -4.086 1.00 0.00 N ATOM 324 CA LYS A 71 -9.093 0.888 -5.479 1.00 0.00 C ATOM 325 C LYS A 71 -9.559 2.313 -5.757 1.00 0.00 C ATOM 326 O LYS A 71 -10.312 2.899 -4.980 1.00 0.00 O ATOM 327 CB LYS A 71 -9.830 -0.071 -6.418 1.00 0.00 C ATOM 328 CG LYS A 71 -11.315 -0.106 -6.053 1.00 0.00 C ATOM 329 CD LYS A 71 -12.033 -1.126 -6.940 1.00 0.00 C ATOM 330 CE LYS A 71 -13.504 -1.214 -6.529 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.151 -2.437 -7.083 1.00 0.00 N ATOM 0 H LYS A 71 -10.253 0.837 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.020 0.812 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.707 0.250 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.403 -1.071 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.436 -0.372 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.757 0.882 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.954 -0.833 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.559 -2.103 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.580 -1.221 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.035 -0.329 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.147 -2.467 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.099 -2.417 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.658 -3.281 -6.728 1.00 0.00 H new ATOM 345 N GLU A 72 -9.100 2.866 -6.878 1.00 0.00 N ATOM 346 CA GLU A 72 -9.469 4.230 -7.258 1.00 0.00 C ATOM 347 C GLU A 72 -10.988 4.372 -7.353 1.00 0.00 C ATOM 348 O GLU A 72 -11.608 3.946 -8.328 1.00 0.00 O ATOM 349 CB GLU A 72 -8.852 4.593 -8.610 1.00 0.00 C ATOM 350 CG GLU A 72 -7.327 4.531 -8.506 1.00 0.00 C ATOM 351 CD GLU A 72 -6.735 4.213 -9.875 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.241 4.738 -10.853 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.785 3.449 -9.924 1.00 0.00 O ATOM 0 H GLU A 72 -8.477 2.396 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.090 4.904 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.203 3.905 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.167 5.593 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.938 5.482 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.032 3.769 -7.785 1.00 0.00 H new ATOM 360 N GLY A 73 -11.576 4.974 -6.324 1.00 0.00 N ATOM 361 CA GLY A 73 -13.022 5.169 -6.290 1.00 0.00 C ATOM 362 C GLY A 73 -13.568 4.924 -4.887 1.00 0.00 C ATOM 363 O GLY A 73 -14.544 5.544 -4.467 1.00 0.00 O ATOM 0 H GLY A 73 -11.079 5.333 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.264 6.183 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.502 4.491 -6.996 1.00 0.00 H new ATOM 367 N ASP A 74 -12.923 4.011 -4.164 1.00 0.00 N ATOM 368 CA ASP A 74 -13.349 3.689 -2.805 1.00 0.00 C ATOM 369 C ASP A 74 -12.636 4.586 -1.798 1.00 0.00 C ATOM 370 O ASP A 74 -11.531 5.067 -2.047 1.00 0.00 O ATOM 371 CB ASP A 74 -13.036 2.227 -2.478 1.00 0.00 C ATOM 372 CG ASP A 74 -14.070 1.324 -3.142 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.242 1.480 -2.845 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.674 0.491 -3.941 1.00 0.00 O ATOM 0 H ASP A 74 -12.112 3.486 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.425 3.853 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.036 1.971 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.044 2.075 -1.399 1.00 0.00 H new ATOM 379 N THR A 75 -13.284 4.808 -0.658 1.00 0.00 N ATOM 380 CA THR A 75 -12.706 5.652 0.384 1.00 0.00 C ATOM 381 C THR A 75 -12.052 4.795 1.463 1.00 0.00 C ATOM 382 O THR A 75 -12.509 3.693 1.766 1.00 0.00 O ATOM 383 CB THR A 75 -13.785 6.524 1.028 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.760 6.865 0.051 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.149 7.799 1.584 1.00 0.00 C ATOM 0 H THR A 75 -14.200 4.420 -0.433 1.00 0.00 H new ATOM 0 HA THR A 75 -11.954 6.289 -0.080 1.00 0.00 H new ATOM 0 HB THR A 75 -14.260 5.975 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.454 7.422 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.919 8.420 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.401 7.536 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.673 8.351 0.774 1.00 0.00 H new ATOM 393 N VAL A 76 -10.973 5.317 2.042 1.00 0.00 N ATOM 394 CA VAL A 76 -10.257 4.595 3.090 1.00 0.00 C ATOM 395 C VAL A 76 -10.218 5.421 4.371 1.00 0.00 C ATOM 396 O VAL A 76 -10.444 6.631 4.354 1.00 0.00 O ATOM 397 CB VAL A 76 -8.824 4.291 2.648 1.00 0.00 C ATOM 398 CG1 VAL A 76 -8.849 3.312 1.473 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.139 5.588 2.215 1.00 0.00 C ATOM 0 H VAL A 76 -10.579 6.228 1.806 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.784 3.659 3.276 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.274 3.848 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.828 3.095 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.338 2.387 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.399 3.755 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.118 5.373 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.689 6.030 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.121 6.287 3.051 1.00 0.00 H new ATOM 409 N LYS A 77 -9.927 4.752 5.483 1.00 0.00 N ATOM 410 CA LYS A 77 -9.858 5.433 6.773 1.00 0.00 C ATOM 411 C LYS A 77 -8.531 5.136 7.463 1.00 0.00 C ATOM 412 O LYS A 77 -7.880 4.129 7.184 1.00 0.00 O ATOM 413 CB LYS A 77 -11.005 4.980 7.678 1.00 0.00 C ATOM 414 CG LYS A 77 -12.294 5.691 7.263 1.00 0.00 C ATOM 415 CD LYS A 77 -13.346 5.524 8.361 1.00 0.00 C ATOM 416 CE LYS A 77 -14.671 6.128 7.893 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.441 5.167 7.052 1.00 0.00 N ATOM 0 H LYS A 77 -9.737 3.750 5.518 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.940 6.505 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.134 3.900 7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.772 5.205 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.098 6.749 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.664 5.278 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.478 4.468 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.013 6.014 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.268 6.415 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.477 7.037 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.334 5.607 6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.880 4.913 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.646 4.310 7.604 1.00 0.00 H new ATOM 431 N ALA A 78 -8.138 6.027 8.368 1.00 0.00 N ATOM 432 CA ALA A 78 -6.885 5.858 9.097 1.00 0.00 C ATOM 433 C ALA A 78 -6.922 4.585 9.938 1.00 0.00 C ATOM 434 O ALA A 78 -7.342 4.602 11.096 1.00 0.00 O ATOM 435 CB ALA A 78 -6.632 7.054 10.016 1.00 0.00 C ATOM 0 H ALA A 78 -8.663 6.866 8.613 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.080 5.787 8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.693 6.910 10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.574 7.965 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.448 7.141 10.733 1.00 0.00 H new ATOM 441 N GLY A 79 -6.476 3.480 9.344 1.00 0.00 N ATOM 442 CA GLY A 79 -6.461 2.202 10.051 1.00 0.00 C ATOM 443 C GLY A 79 -7.029 1.085 9.179 1.00 0.00 C ATOM 444 O GLY A 79 -6.639 -0.075 9.302 1.00 0.00 O ATOM 0 H GLY A 79 -6.124 3.443 8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.440 1.956 10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.044 2.283 10.968 1.00 0.00 H new ATOM 448 N GLN A 80 -7.959 1.449 8.299 1.00 0.00 N ATOM 449 CA GLN A 80 -8.578 0.468 7.412 1.00 0.00 C ATOM 450 C GLN A 80 -7.533 -0.168 6.499 1.00 0.00 C ATOM 451 O GLN A 80 -6.598 0.493 6.046 1.00 0.00 O ATOM 452 CB GLN A 80 -9.654 1.131 6.549 1.00 0.00 C ATOM 453 CG GLN A 80 -10.582 0.059 5.975 1.00 0.00 C ATOM 454 CD GLN A 80 -11.518 0.691 4.951 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.495 1.347 5.315 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.276 0.535 3.679 1.00 0.00 N ATOM 0 H GLN A 80 -8.297 2.404 8.182 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.032 -0.304 8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.227 1.841 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.190 1.696 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.996 -0.732 5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.160 -0.403 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.467 -0.008 3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.895 0.956 2.987 1.00 0.00 H new ATOM 465 N THR A 81 -7.706 -1.461 6.232 1.00 0.00 N ATOM 466 CA THR A 81 -6.777 -2.184 5.368 1.00 0.00 C ATOM 467 C THR A 81 -6.908 -1.695 3.931 1.00 0.00 C ATOM 468 O THR A 81 -8.011 -1.447 3.442 1.00 0.00 O ATOM 469 CB THR A 81 -7.064 -3.686 5.417 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.444 -4.051 6.737 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.810 -4.462 5.012 1.00 0.00 C ATOM 0 H THR A 81 -8.473 -2.025 6.598 1.00 0.00 H new ATOM 0 HA THR A 81 -5.763 -1.999 5.724 1.00 0.00 H new ATOM 0 HB THR A 81 -7.873 -3.924 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.630 -5.013 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.017 -5.532 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.520 -4.182 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.998 -4.226 5.700 1.00 0.00 H new ATOM 479 N VAL A 82 -5.769 -1.546 3.261 1.00 0.00 N ATOM 480 CA VAL A 82 -5.769 -1.071 1.880 1.00 0.00 C ATOM 481 C VAL A 82 -5.196 -2.121 0.931 1.00 0.00 C ATOM 482 O VAL A 82 -5.618 -2.227 -0.220 1.00 0.00 O ATOM 483 CB VAL A 82 -4.938 0.207 1.757 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.613 1.334 2.538 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.539 -0.040 2.327 1.00 0.00 C ATOM 0 H VAL A 82 -4.845 -1.744 3.645 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.805 -0.871 1.605 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.861 0.490 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.020 2.244 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.610 1.510 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.691 1.053 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.945 0.870 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.618 -0.323 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.056 -0.843 1.770 1.00 0.00 H new ATOM 495 N LEU A 83 -4.220 -2.888 1.414 1.00 0.00 N ATOM 496 CA LEU A 83 -3.600 -3.910 0.574 1.00 0.00 C ATOM 497 C LEU A 83 -2.861 -4.944 1.419 1.00 0.00 C ATOM 498 O LEU A 83 -2.402 -4.654 2.523 1.00 0.00 O ATOM 499 CB LEU A 83 -2.611 -3.256 -0.396 1.00 0.00 C ATOM 500 CG LEU A 83 -1.821 -4.220 -1.292 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.588 -3.578 -2.664 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.469 -4.531 -0.639 1.00 0.00 C ATOM 0 H LEU A 83 -3.848 -2.824 2.362 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.391 -4.413 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.160 -2.564 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.902 -2.663 0.182 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.388 -5.142 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.027 -4.266 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.548 -3.357 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.023 -2.654 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.093 -5.216 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.095 -3.607 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.633 -4.992 0.335 1.00 0.00 H new ATOM 514 N VAL A 84 -2.748 -6.154 0.877 1.00 0.00 N ATOM 515 CA VAL A 84 -2.058 -7.236 1.575 1.00 0.00 C ATOM 516 C VAL A 84 -0.715 -7.514 0.905 1.00 0.00 C ATOM 517 O VAL A 84 -0.608 -7.525 -0.321 1.00 0.00 O ATOM 518 CB VAL A 84 -2.898 -8.516 1.551 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.254 -9.567 2.458 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.313 -8.211 2.053 1.00 0.00 C ATOM 0 H VAL A 84 -3.122 -6.409 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.902 -6.928 2.609 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.948 -8.896 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.852 -10.478 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.247 -9.787 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.203 -9.186 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.910 -9.123 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.263 -7.830 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.774 -7.463 1.408 1.00 0.00 H new ATOM 530 N LEU A 85 0.312 -7.736 1.722 1.00 0.00 N ATOM 531 CA LEU A 85 1.647 -8.009 1.191 1.00 0.00 C ATOM 532 C LEU A 85 2.137 -9.378 1.657 1.00 0.00 C ATOM 533 O LEU A 85 1.545 -10.001 2.539 1.00 0.00 O ATOM 534 CB LEU A 85 2.634 -6.930 1.651 1.00 0.00 C ATOM 535 CG LEU A 85 2.854 -5.781 0.659 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.128 -4.484 1.424 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.052 -6.106 -0.237 1.00 0.00 C ATOM 0 H LEU A 85 0.249 -7.733 2.740 1.00 0.00 H new ATOM 0 HA LEU A 85 1.589 -8.002 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.278 -6.512 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.595 -7.402 1.854 1.00 0.00 H new ATOM 0 HG LEU A 85 1.961 -5.657 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.284 -3.670 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.276 -4.251 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.020 -4.606 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.210 -5.291 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.943 -6.231 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.857 -7.028 -0.785 1.00 0.00 H new ATOM 549 N GLU A 86 3.229 -9.837 1.051 1.00 0.00 N ATOM 550 CA GLU A 86 3.800 -11.134 1.406 1.00 0.00 C ATOM 551 C GLU A 86 5.310 -11.018 1.584 1.00 0.00 C ATOM 552 O GLU A 86 6.041 -10.726 0.637 1.00 0.00 O ATOM 553 CB GLU A 86 3.505 -12.167 0.315 1.00 0.00 C ATOM 554 CG GLU A 86 2.136 -12.801 0.568 1.00 0.00 C ATOM 555 CD GLU A 86 2.045 -14.127 -0.180 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.736 -14.099 -1.360 1.00 0.00 O ATOM 557 OE2 GLU A 86 2.284 -15.151 0.439 1.00 0.00 O ATOM 0 H GLU A 86 3.732 -9.336 0.319 1.00 0.00 H new ATOM 0 HA GLU A 86 3.346 -11.457 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.521 -11.691 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.278 -12.936 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.990 -12.963 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.345 -12.129 0.236 1.00 0.00 H new ATOM 564 N ALA A 87 5.769 -11.249 2.810 1.00 0.00 N ATOM 565 CA ALA A 87 7.197 -11.167 3.105 1.00 0.00 C ATOM 566 C ALA A 87 7.567 -12.131 4.228 1.00 0.00 C ATOM 567 O ALA A 87 6.806 -12.326 5.175 1.00 0.00 O ATOM 568 CB ALA A 87 7.576 -9.745 3.524 1.00 0.00 C ATOM 0 H ALA A 87 5.181 -11.492 3.608 1.00 0.00 H new ATOM 0 HA ALA A 87 7.743 -11.437 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.643 -9.702 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.341 -9.053 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.014 -9.466 4.415 1.00 0.00 H new ATOM 574 N MET A 88 8.749 -12.733 4.109 1.00 0.00 N ATOM 575 CA MET A 88 9.220 -13.679 5.118 1.00 0.00 C ATOM 576 C MET A 88 8.262 -14.860 5.235 1.00 0.00 C ATOM 577 O MET A 88 8.083 -15.429 6.312 1.00 0.00 O ATOM 578 CB MET A 88 9.337 -12.995 6.483 1.00 0.00 C ATOM 579 CG MET A 88 10.241 -11.766 6.364 1.00 0.00 C ATOM 580 SD MET A 88 9.921 -10.645 7.748 1.00 0.00 S ATOM 581 CE MET A 88 10.603 -11.696 9.054 1.00 0.00 C ATOM 0 H MET A 88 9.393 -12.585 3.332 1.00 0.00 H new ATOM 0 HA MET A 88 10.201 -14.038 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.350 -12.700 6.839 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.746 -13.690 7.216 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.288 -12.070 6.363 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.056 -11.256 5.419 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.705 -11.116 9.971 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.934 -12.539 9.230 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.581 -12.067 8.749 1.00 0.00 H new ATOM 591 N LYS A 89 7.648 -15.222 4.110 1.00 0.00 N ATOM 592 CA LYS A 89 6.706 -16.340 4.091 1.00 0.00 C ATOM 593 C LYS A 89 5.535 -16.070 5.032 1.00 0.00 C ATOM 594 O LYS A 89 4.982 -16.987 5.640 1.00 0.00 O ATOM 595 CB LYS A 89 7.399 -17.638 4.516 1.00 0.00 C ATOM 596 CG LYS A 89 8.484 -18.000 3.496 1.00 0.00 C ATOM 597 CD LYS A 89 7.933 -19.022 2.497 1.00 0.00 C ATOM 598 CE LYS A 89 7.459 -18.303 1.233 1.00 0.00 C ATOM 599 NZ LYS A 89 8.523 -18.279 0.188 1.00 0.00 N ATOM 0 H LYS A 89 7.783 -14.763 3.209 1.00 0.00 H new ATOM 0 HA LYS A 89 6.336 -16.446 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.841 -17.519 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.670 -18.445 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.815 -17.105 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.355 -18.410 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.703 -19.751 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.106 -19.574 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.573 -18.801 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.168 -17.282 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.170 -17.784 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.359 -17.782 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.783 -19.254 -0.065 1.00 0.00 H new ATOM 613 N MET A 90 5.166 -14.797 5.146 1.00 0.00 N ATOM 614 CA MET A 90 4.060 -14.408 6.017 1.00 0.00 C ATOM 615 C MET A 90 3.313 -13.216 5.429 1.00 0.00 C ATOM 616 O MET A 90 3.890 -12.149 5.211 1.00 0.00 O ATOM 617 CB MET A 90 4.579 -14.036 7.407 1.00 0.00 C ATOM 618 CG MET A 90 3.409 -13.980 8.391 1.00 0.00 C ATOM 619 SD MET A 90 3.918 -13.092 9.884 1.00 0.00 S ATOM 620 CE MET A 90 4.315 -14.543 10.888 1.00 0.00 C ATOM 0 H MET A 90 5.611 -14.024 4.652 1.00 0.00 H new ATOM 0 HA MET A 90 3.381 -15.257 6.099 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.314 -14.769 7.741 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.085 -13.071 7.372 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.556 -13.480 7.931 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.087 -14.989 8.647 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.657 -14.222 11.872 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.426 -15.164 10.998 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.101 -15.119 10.400 1.00 0.00 H new ATOM 630 N GLU A 91 2.023 -13.408 5.171 1.00 0.00 N ATOM 631 CA GLU A 91 1.200 -12.343 4.605 1.00 0.00 C ATOM 632 C GLU A 91 1.057 -11.191 5.595 1.00 0.00 C ATOM 633 O GLU A 91 0.686 -11.390 6.752 1.00 0.00 O ATOM 634 CB GLU A 91 -0.192 -12.870 4.251 1.00 0.00 C ATOM 635 CG GLU A 91 -0.182 -13.430 2.828 1.00 0.00 C ATOM 636 CD GLU A 91 -1.552 -14.009 2.498 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.141 -14.624 3.372 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.995 -13.829 1.374 1.00 0.00 O ATOM 0 H GLU A 91 1.528 -14.283 5.343 1.00 0.00 H new ATOM 0 HA GLU A 91 1.694 -11.985 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.488 -13.647 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.927 -12.069 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.072 -12.643 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.582 -14.202 2.735 1.00 0.00 H new ATOM 645 N THR A 92 1.355 -9.984 5.124 1.00 0.00 N ATOM 646 CA THR A 92 1.256 -8.799 5.972 1.00 0.00 C ATOM 647 C THR A 92 0.160 -7.872 5.457 1.00 0.00 C ATOM 648 O THR A 92 0.188 -7.432 4.309 1.00 0.00 O ATOM 649 CB THR A 92 2.585 -8.040 5.991 1.00 0.00 C ATOM 650 OG1 THR A 92 3.655 -8.965 6.121 1.00 0.00 O ATOM 651 CG2 THR A 92 2.602 -7.066 7.170 1.00 0.00 C ATOM 0 H THR A 92 1.664 -9.800 4.169 1.00 0.00 H new ATOM 0 HA THR A 92 1.013 -9.125 6.983 1.00 0.00 H new ATOM 0 HB THR A 92 2.699 -7.482 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.507 -8.481 6.132 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.549 -6.526 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.781 -6.356 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.488 -7.620 8.102 1.00 0.00 H new ATOM 659 N GLU A 93 -0.809 -7.584 6.322 1.00 0.00 N ATOM 660 CA GLU A 93 -1.918 -6.711 5.945 1.00 0.00 C ATOM 661 C GLU A 93 -1.519 -5.245 6.084 1.00 0.00 C ATOM 662 O GLU A 93 -0.998 -4.823 7.117 1.00 0.00 O ATOM 663 CB GLU A 93 -3.137 -6.982 6.829 1.00 0.00 C ATOM 664 CG GLU A 93 -3.857 -8.239 6.337 1.00 0.00 C ATOM 665 CD GLU A 93 -5.352 -8.107 6.607 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.710 -7.872 7.750 1.00 0.00 O ATOM 667 OE2 GLU A 93 -6.118 -8.242 5.667 1.00 0.00 O ATOM 0 H GLU A 93 -0.850 -7.937 7.278 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.169 -6.920 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.826 -7.111 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.815 -6.129 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.680 -8.378 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.461 -9.119 6.843 1.00 0.00 H new ATOM 674 N ILE A 94 -1.776 -4.474 5.031 1.00 0.00 N ATOM 675 CA ILE A 94 -1.445 -3.050 5.039 1.00 0.00 C ATOM 676 C ILE A 94 -2.707 -2.222 5.259 1.00 0.00 C ATOM 677 O ILE A 94 -3.796 -2.606 4.834 1.00 0.00 O ATOM 678 CB ILE A 94 -0.803 -2.630 3.711 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.307 -3.623 3.319 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.210 -1.225 3.851 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.392 -3.666 4.402 1.00 0.00 C ATOM 0 H ILE A 94 -2.208 -4.806 4.169 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.737 -2.875 5.849 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.566 -2.629 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.118 -4.617 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.747 -3.329 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.246 -0.927 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.000 -0.521 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.547 -1.226 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.169 -4.372 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.828 -2.674 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.950 -3.982 5.347 1.00 0.00 H new ATOM 693 N ASN A 95 -2.552 -1.086 5.931 1.00 0.00 N ATOM 694 CA ASN A 95 -3.694 -0.216 6.203 1.00 0.00 C ATOM 695 C ASN A 95 -3.313 1.250 6.021 1.00 0.00 C ATOM 696 O ASN A 95 -2.209 1.668 6.366 1.00 0.00 O ATOM 697 CB ASN A 95 -4.195 -0.424 7.634 1.00 0.00 C ATOM 698 CG ASN A 95 -3.036 -0.247 8.609 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.337 -1.206 8.935 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.788 0.937 9.100 1.00 0.00 N ATOM 0 H ASN A 95 -1.660 -0.748 6.294 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.483 -0.474 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.987 0.290 7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.624 -1.421 7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.015 1.067 9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.367 1.732 8.830 1.00 0.00 H new ATOM 707 N ALA A 96 -4.249 2.025 5.480 1.00 0.00 N ATOM 708 CA ALA A 96 -4.017 3.450 5.257 1.00 0.00 C ATOM 709 C ALA A 96 -3.785 4.166 6.592 1.00 0.00 C ATOM 710 O ALA A 96 -4.715 4.321 7.382 1.00 0.00 O ATOM 711 CB ALA A 96 -5.228 4.079 4.561 1.00 0.00 C ATOM 0 H ALA A 96 -5.169 1.694 5.190 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.134 3.558 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.044 5.141 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.391 3.589 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.112 3.955 5.186 1.00 0.00 H new ATOM 717 N PRO A 97 -2.552 4.617 6.863 1.00 0.00 N ATOM 718 CA PRO A 97 -2.233 5.325 8.118 1.00 0.00 C ATOM 719 C PRO A 97 -2.958 6.668 8.245 1.00 0.00 C ATOM 720 O PRO A 97 -3.004 7.258 9.326 1.00 0.00 O ATOM 721 CB PRO A 97 -0.720 5.531 8.045 1.00 0.00 C ATOM 722 CG PRO A 97 -0.405 5.491 6.592 1.00 0.00 C ATOM 723 CD PRO A 97 -1.360 4.496 6.003 1.00 0.00 C ATOM 0 HA PRO A 97 -2.554 4.756 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.428 6.483 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.187 4.750 8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.530 6.473 6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.629 5.191 6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.590 4.727 4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.951 3.486 6.023 1.00 0.00 H new ATOM 731 N THR A 98 -3.526 7.147 7.139 1.00 0.00 N ATOM 732 CA THR A 98 -4.244 8.418 7.154 1.00 0.00 C ATOM 733 C THR A 98 -5.555 8.296 6.384 1.00 0.00 C ATOM 734 O THR A 98 -5.603 7.719 5.298 1.00 0.00 O ATOM 735 CB THR A 98 -3.397 9.524 6.522 1.00 0.00 C ATOM 736 OG1 THR A 98 -2.586 8.970 5.495 1.00 0.00 O ATOM 737 CG2 THR A 98 -2.506 10.162 7.589 1.00 0.00 C ATOM 0 H THR A 98 -3.503 6.680 6.232 1.00 0.00 H new ATOM 0 HA THR A 98 -4.452 8.673 8.193 1.00 0.00 H new ATOM 0 HB THR A 98 -4.052 10.285 6.098 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.044 9.678 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.903 10.950 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.129 10.588 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.850 9.404 8.016 1.00 0.00 H new ATOM 745 N ASP A 99 -6.620 8.846 6.961 1.00 0.00 N ATOM 746 CA ASP A 99 -7.933 8.793 6.324 1.00 0.00 C ATOM 747 C ASP A 99 -7.914 9.553 5.001 1.00 0.00 C ATOM 748 O ASP A 99 -7.150 10.501 4.823 1.00 0.00 O ATOM 749 CB ASP A 99 -8.995 9.408 7.237 1.00 0.00 C ATOM 750 CG ASP A 99 -8.566 10.814 7.641 1.00 0.00 C ATOM 751 OD1 ASP A 99 -7.531 10.936 8.276 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.278 11.748 7.311 1.00 0.00 O ATOM 0 H ASP A 99 -6.601 9.329 7.859 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.176 7.747 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.956 9.443 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.130 8.789 8.124 1.00 0.00 H new ATOM 757 N GLY A 100 -8.767 9.124 4.074 1.00 0.00 N ATOM 758 CA GLY A 100 -8.844 9.769 2.766 1.00 0.00 C ATOM 759 C GLY A 100 -9.478 8.838 1.739 1.00 0.00 C ATOM 760 O GLY A 100 -10.248 7.941 2.083 1.00 0.00 O ATOM 0 H GLY A 100 -9.408 8.341 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.428 10.686 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.845 10.054 2.437 1.00 0.00 H new ATOM 764 N LYS A 101 -9.145 9.063 0.471 1.00 0.00 N ATOM 765 CA LYS A 101 -9.686 8.240 -0.608 1.00 0.00 C ATOM 766 C LYS A 101 -8.585 7.862 -1.593 1.00 0.00 C ATOM 767 O LYS A 101 -7.641 8.620 -1.814 1.00 0.00 O ATOM 768 CB LYS A 101 -10.787 8.996 -1.356 1.00 0.00 C ATOM 769 CG LYS A 101 -11.478 8.053 -2.344 1.00 0.00 C ATOM 770 CD LYS A 101 -12.522 8.829 -3.149 1.00 0.00 C ATOM 771 CE LYS A 101 -13.835 8.877 -2.367 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.933 9.471 -3.182 1.00 0.00 N ATOM 0 H LYS A 101 -8.510 9.801 0.167 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.103 7.335 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.514 9.394 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.361 9.847 -1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.742 7.610 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.954 7.233 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.167 9.840 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.679 8.352 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.113 7.869 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.697 9.462 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.810 9.489 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.677 10.441 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.080 8.898 -4.037 1.00 0.00 H new ATOM 786 N VAL A 102 -8.720 6.678 -2.186 1.00 0.00 N ATOM 787 CA VAL A 102 -7.732 6.202 -3.152 1.00 0.00 C ATOM 788 C VAL A 102 -7.907 6.925 -4.485 1.00 0.00 C ATOM 789 O VAL A 102 -8.899 6.730 -5.187 1.00 0.00 O ATOM 790 CB VAL A 102 -7.884 4.695 -3.375 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.727 4.185 -4.236 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.865 3.974 -2.024 1.00 0.00 C ATOM 0 H VAL A 102 -9.495 6.036 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.739 6.408 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.829 4.499 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.836 3.112 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.737 4.696 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.782 4.383 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.973 2.901 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.920 4.173 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.689 4.334 -1.408 1.00 0.00 H new ATOM 802 N GLU A 103 -6.933 7.765 -4.822 1.00 0.00 N ATOM 803 CA GLU A 103 -6.989 8.518 -6.072 1.00 0.00 C ATOM 804 C GLU A 103 -6.216 7.797 -7.174 1.00 0.00 C ATOM 805 O GLU A 103 -6.546 7.905 -8.355 1.00 0.00 O ATOM 806 CB GLU A 103 -6.403 9.919 -5.884 1.00 0.00 C ATOM 807 CG GLU A 103 -4.997 9.816 -5.289 1.00 0.00 C ATOM 808 CD GLU A 103 -4.287 11.158 -5.423 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.626 12.062 -4.677 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.415 11.263 -6.269 1.00 0.00 O ATOM 0 H GLU A 103 -6.104 7.941 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.036 8.600 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.366 10.439 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.044 10.506 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.055 9.527 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.430 9.040 -5.802 1.00 0.00 H new ATOM 817 N LYS A 104 -5.181 7.060 -6.777 1.00 0.00 N ATOM 818 CA LYS A 104 -4.367 6.327 -7.743 1.00 0.00 C ATOM 819 C LYS A 104 -3.556 5.240 -7.045 1.00 0.00 C ATOM 820 O LYS A 104 -2.884 5.493 -6.045 1.00 0.00 O ATOM 821 CB LYS A 104 -3.410 7.277 -8.465 1.00 0.00 C ATOM 822 CG LYS A 104 -2.814 6.572 -9.685 1.00 0.00 C ATOM 823 CD LYS A 104 -1.992 7.570 -10.502 1.00 0.00 C ATOM 824 CE LYS A 104 -0.610 7.737 -9.866 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.033 9.078 -10.162 1.00 0.00 N ATOM 0 H LYS A 104 -4.889 6.955 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.039 5.867 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.940 8.178 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.615 7.592 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.184 5.741 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.610 6.151 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.891 7.219 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.504 8.532 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.686 7.602 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.059 6.961 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.903 9.159 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.061 9.196 -11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.660 9.817 -9.785 1.00 0.00 H new ATOM 839 N VAL A 105 -3.627 4.027 -7.585 1.00 0.00 N ATOM 840 CA VAL A 105 -2.893 2.904 -7.009 1.00 0.00 C ATOM 841 C VAL A 105 -1.659 2.592 -7.849 1.00 0.00 C ATOM 842 O VAL A 105 -1.764 2.165 -8.999 1.00 0.00 O ATOM 843 CB VAL A 105 -3.780 1.657 -6.940 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.055 0.554 -6.165 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.089 2.001 -6.225 1.00 0.00 C ATOM 0 H VAL A 105 -4.179 3.797 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.588 3.183 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.995 1.311 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.687 -0.333 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.122 0.307 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.839 0.901 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.721 1.114 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.871 2.348 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.608 2.786 -6.775 1.00 0.00 H new ATOM 855 N LEU A 106 -0.487 2.808 -7.260 1.00 0.00 N ATOM 856 CA LEU A 106 0.767 2.547 -7.961 1.00 0.00 C ATOM 857 C LEU A 106 1.114 1.063 -7.894 1.00 0.00 C ATOM 858 O LEU A 106 1.635 0.489 -8.850 1.00 0.00 O ATOM 859 CB LEU A 106 1.906 3.354 -7.338 1.00 0.00 C ATOM 860 CG LEU A 106 1.632 4.849 -7.163 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.441 5.384 -5.981 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.039 5.594 -8.437 1.00 0.00 C ATOM 0 H LEU A 106 -0.378 3.160 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 106 0.640 2.844 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.139 2.928 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.794 3.235 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 106 0.570 5.002 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.245 6.449 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.152 4.854 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.504 5.230 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.844 6.659 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.101 5.439 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.462 5.215 -9.280 1.00 0.00 H new ATOM 874 N VAL A 107 0.819 0.449 -6.751 1.00 0.00 N ATOM 875 CA VAL A 107 1.107 -0.971 -6.565 1.00 0.00 C ATOM 876 C VAL A 107 0.067 -1.828 -7.283 1.00 0.00 C ATOM 877 O VAL A 107 -1.101 -1.455 -7.389 1.00 0.00 O ATOM 878 CB VAL A 107 1.124 -1.328 -5.074 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.201 -0.502 -4.369 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.243 -1.025 -4.444 1.00 0.00 C ATOM 0 H VAL A 107 0.386 0.906 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 107 2.090 -1.173 -6.990 1.00 0.00 H new ATOM 0 HB VAL A 107 1.340 -2.391 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.216 -0.753 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.174 -0.722 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.981 0.559 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.221 -1.282 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.468 0.036 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.012 -1.613 -4.944 1.00 0.00 H new ATOM 890 N LYS A 108 0.507 -2.983 -7.771 1.00 0.00 N ATOM 891 CA LYS A 108 -0.389 -3.894 -8.476 1.00 0.00 C ATOM 892 C LYS A 108 -0.195 -5.320 -7.965 1.00 0.00 C ATOM 893 O LYS A 108 0.801 -5.631 -7.313 1.00 0.00 O ATOM 894 CB LYS A 108 -0.116 -3.849 -9.990 1.00 0.00 C ATOM 895 CG LYS A 108 -1.372 -3.382 -10.735 1.00 0.00 C ATOM 896 CD LYS A 108 -0.972 -2.782 -12.083 1.00 0.00 C ATOM 897 CE LYS A 108 -0.404 -1.377 -11.869 1.00 0.00 C ATOM 898 NZ LYS A 108 0.598 -1.030 -12.918 1.00 0.00 N ATOM 0 H LYS A 108 1.470 -3.309 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.416 -3.580 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.713 -3.173 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.181 -4.836 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.051 -4.221 -10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.907 -2.642 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.230 -3.415 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.837 -2.739 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.215 -0.649 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.061 -1.317 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.964 -0.072 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.383 -1.711 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.146 -1.064 -13.854 1.00 0.00 H new ATOM 912 N GLU A 109 -1.160 -6.183 -8.267 1.00 0.00 N ATOM 913 CA GLU A 109 -1.083 -7.575 -7.833 1.00 0.00 C ATOM 914 C GLU A 109 0.126 -8.261 -8.460 1.00 0.00 C ATOM 915 O GLU A 109 0.428 -8.067 -9.637 1.00 0.00 O ATOM 916 CB GLU A 109 -2.351 -8.331 -8.236 1.00 0.00 C ATOM 917 CG GLU A 109 -3.568 -7.673 -7.583 1.00 0.00 C ATOM 918 CD GLU A 109 -4.811 -7.962 -8.416 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.263 -9.095 -8.398 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.295 -7.045 -9.061 1.00 0.00 O ATOM 0 H GLU A 109 -1.995 -5.948 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.984 -7.586 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.460 -8.327 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.279 -9.374 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.700 -8.053 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.413 -6.597 -7.503 1.00 0.00 H new ATOM 927 N ARG A 110 0.817 -9.068 -7.656 1.00 0.00 N ATOM 928 CA ARG A 110 2.000 -9.791 -8.129 1.00 0.00 C ATOM 929 C ARG A 110 3.135 -8.816 -8.444 1.00 0.00 C ATOM 930 O ARG A 110 3.892 -9.009 -9.395 1.00 0.00 O ATOM 931 CB ARG A 110 1.675 -10.612 -9.386 1.00 0.00 C ATOM 932 CG ARG A 110 2.468 -11.929 -9.370 1.00 0.00 C ATOM 933 CD ARG A 110 3.527 -11.913 -10.476 1.00 0.00 C ATOM 934 NE ARG A 110 2.943 -12.319 -11.752 1.00 0.00 N ATOM 935 CZ ARG A 110 3.363 -13.414 -12.380 1.00 0.00 C ATOM 936 NH1 ARG A 110 4.371 -13.346 -13.206 1.00 0.00 N ATOM 937 NH2 ARG A 110 2.767 -14.556 -12.169 1.00 0.00 N ATOM 0 H ARG A 110 0.581 -9.238 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 110 2.314 -10.467 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.606 -10.821 -9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.923 -10.039 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.945 -12.065 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.792 -12.772 -9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.952 -10.913 -10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.345 -12.584 -10.214 1.00 0.00 H new ATOM 0 HE ARG A 110 2.202 -11.754 -12.168 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.837 -12.453 -13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.693 -14.185 -13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.980 -14.609 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.089 -15.396 -12.650 1.00 0.00 H new ATOM 951 N ASP A 111 3.247 -7.772 -7.629 1.00 0.00 N ATOM 952 CA ASP A 111 4.299 -6.775 -7.823 1.00 0.00 C ATOM 953 C ASP A 111 5.174 -6.681 -6.578 1.00 0.00 C ATOM 954 O ASP A 111 4.721 -6.932 -5.462 1.00 0.00 O ATOM 955 CB ASP A 111 3.696 -5.398 -8.111 1.00 0.00 C ATOM 956 CG ASP A 111 2.994 -5.421 -9.464 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.183 -6.307 -9.674 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.279 -4.551 -10.271 1.00 0.00 O ATOM 0 H ASP A 111 2.631 -7.593 -6.836 1.00 0.00 H new ATOM 0 HA ASP A 111 4.903 -7.088 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.988 -5.128 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.479 -4.639 -8.109 1.00 0.00 H new ATOM 963 N ALA A 112 6.438 -6.317 -6.783 1.00 0.00 N ATOM 964 CA ALA A 112 7.374 -6.193 -5.669 1.00 0.00 C ATOM 965 C ALA A 112 7.450 -4.745 -5.193 1.00 0.00 C ATOM 966 O ALA A 112 7.568 -3.818 -5.995 1.00 0.00 O ATOM 967 CB ALA A 112 8.771 -6.652 -6.091 1.00 0.00 C ATOM 0 H ALA A 112 6.834 -6.105 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 112 7.014 -6.824 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.456 -6.553 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.732 -7.695 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.122 -6.036 -6.919 1.00 0.00 H new ATOM 973 N VAL A 113 7.380 -4.564 -3.878 1.00 0.00 N ATOM 974 CA VAL A 113 7.441 -3.224 -3.298 1.00 0.00 C ATOM 975 C VAL A 113 8.622 -3.114 -2.340 1.00 0.00 C ATOM 976 O VAL A 113 9.367 -4.073 -2.135 1.00 0.00 O ATOM 977 CB VAL A 113 6.151 -2.908 -2.540 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.983 -2.845 -3.526 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.885 -4.006 -1.507 1.00 0.00 C ATOM 0 H VAL A 113 7.282 -5.319 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 113 7.565 -2.510 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 113 6.253 -1.948 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.063 -2.620 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.171 -2.065 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.881 -3.805 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.966 -3.782 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.783 -4.965 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.717 -4.054 -0.804 1.00 0.00 H new ATOM 989 N GLN A 114 8.783 -1.932 -1.751 1.00 0.00 N ATOM 990 CA GLN A 114 9.878 -1.703 -0.813 1.00 0.00 C ATOM 991 C GLN A 114 9.379 -0.944 0.413 1.00 0.00 C ATOM 992 O GLN A 114 8.467 -0.124 0.324 1.00 0.00 O ATOM 993 CB GLN A 114 10.995 -0.896 -1.477 1.00 0.00 C ATOM 994 CG GLN A 114 11.653 -1.739 -2.571 1.00 0.00 C ATOM 995 CD GLN A 114 12.494 -2.837 -1.929 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.069 -2.642 -0.859 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.602 -3.993 -2.526 1.00 0.00 N ATOM 0 H GLN A 114 8.177 -1.126 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 114 10.266 -2.675 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.591 0.022 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.737 -0.602 -0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.891 -2.179 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.279 -1.109 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.126 -4.155 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.163 -4.734 -2.105 1.00 0.00 H new ATOM 1006 N GLY A 115 9.990 -1.229 1.559 1.00 0.00 N ATOM 1007 CA GLY A 115 9.603 -0.569 2.803 1.00 0.00 C ATOM 1008 C GLY A 115 9.820 0.938 2.703 1.00 0.00 C ATOM 1009 O GLY A 115 10.952 1.413 2.610 1.00 0.00 O ATOM 0 H GLY A 115 10.748 -1.905 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.555 -0.777 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.186 -0.971 3.631 1.00 0.00 H new ATOM 1013 N GLY A 116 8.719 1.685 2.720 1.00 0.00 N ATOM 1014 CA GLY A 116 8.796 3.140 2.630 1.00 0.00 C ATOM 1015 C GLY A 116 8.238 3.632 1.299 1.00 0.00 C ATOM 1016 O GLY A 116 7.692 4.732 1.206 1.00 0.00 O ATOM 0 H GLY A 116 7.773 1.312 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.238 3.589 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.832 3.461 2.736 1.00 0.00 H new ATOM 1020 N GLN A 117 8.381 2.804 0.266 1.00 0.00 N ATOM 1021 CA GLN A 117 7.888 3.162 -1.064 1.00 0.00 C ATOM 1022 C GLN A 117 6.380 3.395 -1.035 1.00 0.00 C ATOM 1023 O GLN A 117 5.638 2.678 -0.364 1.00 0.00 O ATOM 1024 CB GLN A 117 8.200 2.048 -2.066 1.00 0.00 C ATOM 1025 CG GLN A 117 7.915 2.544 -3.485 1.00 0.00 C ATOM 1026 CD GLN A 117 8.682 1.687 -4.487 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.910 1.750 -4.554 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.026 0.883 -5.277 1.00 0.00 N ATOM 0 H GLN A 117 8.829 1.890 0.322 1.00 0.00 H new ATOM 0 HA GLN A 117 8.389 4.080 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.244 1.746 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.594 1.168 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.846 2.494 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.210 3.589 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.009 0.831 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.530 0.306 -5.950 1.00 0.00 H new ATOM 1037 N GLY A 118 5.937 4.412 -1.772 1.00 0.00 N ATOM 1038 CA GLY A 118 4.515 4.738 -1.826 1.00 0.00 C ATOM 1039 C GLY A 118 3.714 3.575 -2.400 1.00 0.00 C ATOM 1040 O GLY A 118 3.939 3.144 -3.531 1.00 0.00 O ATOM 0 H GLY A 118 6.535 5.018 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.154 4.976 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.364 5.627 -2.439 1.00 0.00 H new ATOM 1044 N LEU A 119 2.774 3.072 -1.604 1.00 0.00 N ATOM 1045 CA LEU A 119 1.939 1.956 -2.039 1.00 0.00 C ATOM 1046 C LEU A 119 0.721 2.468 -2.801 1.00 0.00 C ATOM 1047 O LEU A 119 0.453 2.049 -3.926 1.00 0.00 O ATOM 1048 CB LEU A 119 1.467 1.139 -0.836 1.00 0.00 C ATOM 1049 CG LEU A 119 2.577 0.478 -0.015 1.00 0.00 C ATOM 1050 CD1 LEU A 119 1.977 -0.141 1.250 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.244 -0.618 -0.849 1.00 0.00 C ATOM 0 H LEU A 119 2.573 3.415 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 119 2.538 1.323 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.891 1.791 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.788 0.363 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 119 3.318 1.227 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.767 -0.612 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.500 0.638 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.236 -0.890 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.035 -1.089 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.502 -1.367 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.671 -0.180 -1.751 1.00 0.00 H new ATOM 1063 N ILE A 120 -0.014 3.380 -2.171 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.206 3.948 -2.796 1.00 0.00 C ATOM 1065 C ILE A 120 -1.313 5.437 -2.478 1.00 0.00 C ATOM 1066 O ILE A 120 -0.838 5.902 -1.442 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.468 3.238 -2.294 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.306 1.726 -2.466 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.678 3.713 -3.101 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.490 1.008 -1.815 1.00 0.00 C ATOM 0 H ILE A 120 0.191 3.739 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.119 3.810 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.619 3.471 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.252 1.474 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.372 1.396 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.575 3.208 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.796 4.790 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.526 3.480 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.375 -0.069 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.523 1.251 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.417 1.330 -2.290 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.944 6.178 -3.384 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.113 7.615 -3.195 1.00 0.00 C ATOM 1084 C LYS A 121 -3.458 7.910 -2.537 1.00 0.00 C ATOM 1085 O LYS A 121 -4.504 7.452 -2.998 1.00 0.00 O ATOM 1086 CB LYS A 121 -2.042 8.345 -4.539 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.607 8.811 -4.792 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.572 9.712 -6.027 1.00 0.00 C ATOM 1089 CE LYS A 121 0.823 10.322 -6.175 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.780 11.603 -6.937 1.00 0.00 N ATOM 0 H LYS A 121 -2.343 5.812 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.308 7.967 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.368 7.683 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.718 9.200 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.231 9.352 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.045 7.950 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.825 9.136 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.318 10.502 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.251 10.498 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.478 9.616 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.742 11.990 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.394 11.429 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.174 12.284 -6.437 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.417 8.681 -1.456 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.638 9.035 -0.736 1.00 0.00 C ATOM 1106 C ILE A 122 -4.959 10.513 -0.930 1.00 0.00 C ATOM 1107 O ILE A 122 -4.063 11.351 -1.028 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.482 8.749 0.761 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.982 7.309 0.971 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.830 8.936 1.463 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.976 6.303 0.375 1.00 0.00 C ATOM 0 H ILE A 122 -2.561 9.070 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.452 8.430 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.755 9.443 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.005 7.185 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.853 7.114 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.717 8.732 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.173 9.961 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.560 8.248 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.607 5.290 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.944 6.416 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.084 6.488 -0.694 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.252 10.823 -0.982 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.687 12.205 -1.163 1.00 0.00 C ATOM 1125 C GLY A 123 -7.788 12.291 -2.215 1.00 0.00 C ATOM 1126 O GLY A 123 -7.867 11.392 -3.036 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.536 13.255 -2.184 1.00 0.00 O ATOM 0 H GLY A 123 -7.009 10.144 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.050 12.604 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.840 12.821 -1.465 1.00 0.00 H new TER 1131 GLY A 123