USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= 0.748 F(o=-0.91,f=0.75) 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+ -172:sc= 0 (180deg=-0.0619) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -159:sc= 0.047 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 14.871 10.187 6.654 1.00 0.00 N ATOM 2 CA ALA A 47 14.259 9.458 7.800 1.00 0.00 C ATOM 3 C ALA A 47 13.304 8.396 7.266 1.00 0.00 C ATOM 4 O ALA A 47 12.104 8.633 7.126 1.00 0.00 O ATOM 5 CB ALA A 47 13.486 10.408 8.717 1.00 0.00 C ATOM 0 HA ALA A 47 15.060 8.998 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.052 9.844 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.164 11.165 9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.690 10.893 8.151 1.00 0.00 H new ATOM 13 N GLY A 48 13.851 7.220 6.969 1.00 0.00 N ATOM 14 CA GLY A 48 13.039 6.124 6.448 1.00 0.00 C ATOM 15 C GLY A 48 13.514 5.711 5.059 1.00 0.00 C ATOM 16 O GLY A 48 13.628 4.523 4.754 1.00 0.00 O ATOM 0 H GLY A 48 14.842 7.003 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.094 5.271 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.993 6.429 6.404 1.00 0.00 H new ATOM 20 N ALA A 49 13.789 6.707 4.221 1.00 0.00 N ATOM 21 CA ALA A 49 14.253 6.443 2.860 1.00 0.00 C ATOM 22 C ALA A 49 13.206 5.652 2.081 1.00 0.00 C ATOM 23 O ALA A 49 12.965 4.477 2.353 1.00 0.00 O ATOM 24 CB ALA A 49 15.563 5.651 2.880 1.00 0.00 C ATOM 0 H ALA A 49 13.700 7.696 4.456 1.00 0.00 H new ATOM 0 HA ALA A 49 14.419 7.404 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.891 5.465 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.326 6.223 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.406 4.700 3.389 1.00 0.00 H new ATOM 30 N GLY A 50 12.587 6.315 1.108 1.00 0.00 N ATOM 31 CA GLY A 50 11.564 5.670 0.290 1.00 0.00 C ATOM 32 C GLY A 50 10.990 6.651 -0.725 1.00 0.00 C ATOM 33 O GLY A 50 11.653 7.607 -1.130 1.00 0.00 O ATOM 0 H GLY A 50 12.773 7.289 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.993 4.812 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.766 5.291 0.929 1.00 0.00 H new ATOM 37 N LYS A 51 9.747 6.407 -1.131 1.00 0.00 N ATOM 38 CA LYS A 51 9.091 7.279 -2.101 1.00 0.00 C ATOM 39 C LYS A 51 7.662 7.585 -1.661 1.00 0.00 C ATOM 40 O LYS A 51 6.739 7.636 -2.476 1.00 0.00 O ATOM 41 CB LYS A 51 9.066 6.626 -3.485 1.00 0.00 C ATOM 42 CG LYS A 51 10.359 6.963 -4.232 1.00 0.00 C ATOM 43 CD LYS A 51 10.289 8.400 -4.752 1.00 0.00 C ATOM 44 CE LYS A 51 11.604 8.756 -5.447 1.00 0.00 C ATOM 45 NZ LYS A 51 11.900 10.213 -5.338 1.00 0.00 N ATOM 0 H LYS A 51 9.180 5.623 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 51 9.659 8.208 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.961 5.545 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.204 6.980 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.216 6.847 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.503 6.271 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.457 8.506 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.104 9.088 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.418 8.184 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.550 8.472 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.798 10.422 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.134 10.757 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.975 10.478 -4.335 1.00 0.00 H new ATOM 59 N ALA A 52 7.492 7.793 -0.359 1.00 0.00 N ATOM 60 CA ALA A 52 6.173 8.100 0.188 1.00 0.00 C ATOM 61 C ALA A 52 6.308 8.917 1.471 1.00 0.00 C ATOM 62 O ALA A 52 7.373 8.966 2.084 1.00 0.00 O ATOM 63 CB ALA A 52 5.400 6.808 0.481 1.00 0.00 C ATOM 0 H ALA A 52 8.242 7.755 0.331 1.00 0.00 H new ATOM 0 HA ALA A 52 5.624 8.683 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.419 7.055 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.278 6.240 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.953 6.209 1.205 1.00 0.00 H new ATOM 69 N GLY A 53 5.212 9.558 1.868 1.00 0.00 N ATOM 70 CA GLY A 53 5.215 10.373 3.080 1.00 0.00 C ATOM 71 C GLY A 53 4.112 11.426 3.028 1.00 0.00 C ATOM 72 O GLY A 53 3.266 11.504 3.920 1.00 0.00 O ATOM 0 H GLY A 53 4.320 9.530 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.074 9.735 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.184 10.860 3.194 1.00 0.00 H new ATOM 76 N GLU A 54 4.133 12.235 1.973 1.00 0.00 N ATOM 77 CA GLU A 54 3.130 13.284 1.811 1.00 0.00 C ATOM 78 C GLU A 54 2.077 12.863 0.791 1.00 0.00 C ATOM 79 O GLU A 54 2.180 13.176 -0.395 1.00 0.00 O ATOM 80 CB GLU A 54 3.786 14.584 1.342 1.00 0.00 C ATOM 81 CG GLU A 54 4.201 15.414 2.558 1.00 0.00 C ATOM 82 CD GLU A 54 5.654 15.111 2.909 1.00 0.00 C ATOM 83 OE1 GLU A 54 6.522 15.511 2.151 1.00 0.00 O ATOM 84 OE2 GLU A 54 5.877 14.485 3.932 1.00 0.00 O ATOM 0 H GLU A 54 4.825 12.187 1.225 1.00 0.00 H new ATOM 0 HA GLU A 54 2.654 13.446 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.657 14.362 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.092 15.151 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.081 16.476 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.555 15.184 3.406 1.00 0.00 H new ATOM 91 N GLY A 55 1.060 12.151 1.268 1.00 0.00 N ATOM 92 CA GLY A 55 -0.013 11.690 0.390 1.00 0.00 C ATOM 93 C GLY A 55 0.133 10.203 0.088 1.00 0.00 C ATOM 94 O GLY A 55 -0.818 9.432 0.214 1.00 0.00 O ATOM 0 H GLY A 55 0.955 11.883 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.979 11.877 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.004 12.258 -0.540 1.00 0.00 H new ATOM 98 N GLU A 56 1.337 9.808 -0.316 1.00 0.00 N ATOM 99 CA GLU A 56 1.600 8.408 -0.638 1.00 0.00 C ATOM 100 C GLU A 56 1.902 7.619 0.631 1.00 0.00 C ATOM 101 O GLU A 56 2.731 8.022 1.446 1.00 0.00 O ATOM 102 CB GLU A 56 2.795 8.281 -1.592 1.00 0.00 C ATOM 103 CG GLU A 56 2.634 9.253 -2.773 1.00 0.00 C ATOM 104 CD GLU A 56 3.872 10.141 -2.885 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.425 10.485 -1.855 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.245 10.463 -4.001 1.00 0.00 O ATOM 0 H GLU A 56 2.138 10.429 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 56 0.709 8.007 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.721 8.495 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.869 7.258 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.491 8.695 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.746 9.868 -2.631 1.00 0.00 H new ATOM 113 N ILE A 57 1.221 6.488 0.788 1.00 0.00 N ATOM 114 CA ILE A 57 1.424 5.644 1.963 1.00 0.00 C ATOM 115 C ILE A 57 2.685 4.787 1.784 1.00 0.00 C ATOM 116 O ILE A 57 2.708 3.886 0.945 1.00 0.00 O ATOM 117 CB ILE A 57 0.221 4.721 2.172 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.064 5.554 2.200 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.370 3.978 3.502 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.277 4.622 2.244 1.00 0.00 C ATOM 0 H ILE A 57 0.531 6.136 0.125 1.00 0.00 H new ATOM 0 HA ILE A 57 1.539 6.291 2.833 1.00 0.00 H new ATOM 0 HB ILE A 57 0.173 4.001 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.065 6.211 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.115 6.193 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.487 3.321 3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.284 3.384 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.419 4.699 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.191 5.215 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.278 3.984 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.227 4.002 3.139 1.00 0.00 H new ATOM 132 N PRO A 58 3.748 5.050 2.560 1.00 0.00 N ATOM 133 CA PRO A 58 5.000 4.282 2.456 1.00 0.00 C ATOM 134 C PRO A 58 4.852 2.859 2.987 1.00 0.00 C ATOM 135 O PRO A 58 4.167 2.620 3.982 1.00 0.00 O ATOM 136 CB PRO A 58 5.989 5.073 3.310 1.00 0.00 C ATOM 137 CG PRO A 58 5.147 5.818 4.285 1.00 0.00 C ATOM 138 CD PRO A 58 3.842 6.096 3.596 1.00 0.00 C ATOM 0 HA PRO A 58 5.318 4.169 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.689 4.410 3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.581 5.754 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.991 5.231 5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.632 6.746 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.005 6.043 4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.828 7.094 3.157 1.00 0.00 H new ATOM 146 N ALA A 59 5.501 1.918 2.308 1.00 0.00 N ATOM 147 CA ALA A 59 5.435 0.518 2.715 1.00 0.00 C ATOM 148 C ALA A 59 6.317 0.275 3.944 1.00 0.00 C ATOM 149 O ALA A 59 7.378 0.884 4.082 1.00 0.00 O ATOM 150 CB ALA A 59 5.904 -0.393 1.580 1.00 0.00 C ATOM 0 H ALA A 59 6.073 2.096 1.482 1.00 0.00 H new ATOM 0 HA ALA A 59 4.398 0.289 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.848 -1.433 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.265 -0.247 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.934 -0.149 1.319 1.00 0.00 H new ATOM 156 N PRO A 60 5.892 -0.617 4.850 1.00 0.00 N ATOM 157 CA PRO A 60 6.662 -0.928 6.065 1.00 0.00 C ATOM 158 C PRO A 60 7.898 -1.778 5.775 1.00 0.00 C ATOM 159 O PRO A 60 8.869 -1.764 6.530 1.00 0.00 O ATOM 160 CB PRO A 60 5.677 -1.701 6.936 1.00 0.00 C ATOM 161 CG PRO A 60 4.700 -2.302 5.984 1.00 0.00 C ATOM 162 CD PRO A 60 4.643 -1.399 4.786 1.00 0.00 C ATOM 0 HA PRO A 60 7.044 -0.023 6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.185 -2.471 7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.179 -1.042 7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.010 -3.306 5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.717 -2.392 6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.581 -1.972 3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.767 -0.751 4.819 1.00 0.00 H new ATOM 170 N LEU A 61 7.849 -2.522 4.671 1.00 0.00 N ATOM 171 CA LEU A 61 8.970 -3.377 4.291 1.00 0.00 C ATOM 172 C LEU A 61 8.876 -3.755 2.817 1.00 0.00 C ATOM 173 O LEU A 61 7.847 -3.552 2.172 1.00 0.00 O ATOM 174 CB LEU A 61 8.979 -4.653 5.134 1.00 0.00 C ATOM 175 CG LEU A 61 7.709 -5.504 5.051 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.064 -6.979 5.251 1.00 0.00 C ATOM 177 CD2 LEU A 61 6.730 -5.066 6.141 1.00 0.00 C ATOM 0 H LEU A 61 7.055 -2.550 4.031 1.00 0.00 H new ATOM 0 HA LEU A 61 9.891 -2.821 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.827 -5.265 4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.145 -4.379 6.176 1.00 0.00 H new ATOM 0 HG LEU A 61 7.249 -5.371 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.158 -7.583 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.762 -7.294 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.525 -7.113 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.826 -5.672 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.192 -5.198 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.474 -4.016 5.999 1.00 0.00 H new ATOM 189 N ALA A 62 9.963 -4.312 2.291 1.00 0.00 N ATOM 190 CA ALA A 62 9.997 -4.720 0.889 1.00 0.00 C ATOM 191 C ALA A 62 9.563 -6.175 0.749 1.00 0.00 C ATOM 192 O ALA A 62 10.365 -7.096 0.906 1.00 0.00 O ATOM 193 CB ALA A 62 11.408 -4.564 0.319 1.00 0.00 C ATOM 0 H ALA A 62 10.824 -4.490 2.808 1.00 0.00 H new ATOM 0 HA ALA A 62 9.310 -4.080 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.414 -4.873 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.716 -3.521 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.100 -5.187 0.885 1.00 0.00 H new ATOM 199 N GLY A 63 8.281 -6.373 0.453 1.00 0.00 N ATOM 200 CA GLY A 63 7.746 -7.722 0.292 1.00 0.00 C ATOM 201 C GLY A 63 7.114 -7.892 -1.084 1.00 0.00 C ATOM 202 O GLY A 63 7.639 -7.412 -2.088 1.00 0.00 O ATOM 0 H GLY A 63 7.600 -5.625 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.544 -8.453 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.003 -7.918 1.065 1.00 0.00 H new ATOM 206 N THR A 64 5.979 -8.583 -1.119 1.00 0.00 N ATOM 207 CA THR A 64 5.279 -8.815 -2.378 1.00 0.00 C ATOM 208 C THR A 64 3.781 -8.589 -2.203 1.00 0.00 C ATOM 209 O THR A 64 3.178 -9.050 -1.235 1.00 0.00 O ATOM 210 CB THR A 64 5.513 -10.247 -2.867 1.00 0.00 C ATOM 211 OG1 THR A 64 6.896 -10.557 -2.773 1.00 0.00 O ATOM 212 CG2 THR A 64 5.058 -10.373 -4.321 1.00 0.00 C ATOM 0 H THR A 64 5.528 -8.989 -0.299 1.00 0.00 H new ATOM 0 HA THR A 64 5.670 -8.113 -3.114 1.00 0.00 H new ATOM 0 HB THR A 64 4.942 -10.940 -2.249 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.048 -11.474 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.225 -11.393 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.997 -10.135 -4.392 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.627 -9.681 -4.942 1.00 0.00 H new ATOM 220 N VAL A 65 3.187 -7.871 -3.153 1.00 0.00 N ATOM 221 CA VAL A 65 1.757 -7.588 -3.096 1.00 0.00 C ATOM 222 C VAL A 65 0.955 -8.855 -3.383 1.00 0.00 C ATOM 223 O VAL A 65 1.150 -9.511 -4.407 1.00 0.00 O ATOM 224 CB VAL A 65 1.381 -6.511 -4.120 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.085 -6.113 -3.935 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.268 -5.281 -3.915 1.00 0.00 C ATOM 0 H VAL A 65 3.668 -7.479 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 65 1.522 -7.228 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 65 1.526 -6.905 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.349 -5.347 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.720 -6.987 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.231 -5.721 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.001 -4.515 -4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.122 -4.891 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.313 -5.560 -4.048 1.00 0.00 H new ATOM 236 N SER A 66 0.053 -9.191 -2.465 1.00 0.00 N ATOM 237 CA SER A 66 -0.776 -10.383 -2.625 1.00 0.00 C ATOM 238 C SER A 66 -2.124 -10.020 -3.240 1.00 0.00 C ATOM 239 O SER A 66 -2.525 -10.576 -4.262 1.00 0.00 O ATOM 240 CB SER A 66 -1.011 -11.055 -1.273 1.00 0.00 C ATOM 241 OG SER A 66 -1.268 -12.438 -1.476 1.00 0.00 O ATOM 0 H SER A 66 -0.122 -8.661 -1.611 1.00 0.00 H new ATOM 0 HA SER A 66 -0.250 -11.071 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.139 -10.925 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.853 -10.588 -0.763 1.00 0.00 H new ATOM 0 HG SER A 66 -1.418 -12.873 -0.611 1.00 0.00 H new ATOM 247 N LYS A 67 -2.819 -9.081 -2.604 1.00 0.00 N ATOM 248 CA LYS A 67 -4.125 -8.652 -3.096 1.00 0.00 C ATOM 249 C LYS A 67 -4.405 -7.209 -2.683 1.00 0.00 C ATOM 250 O LYS A 67 -3.944 -6.746 -1.640 1.00 0.00 O ATOM 251 CB LYS A 67 -5.229 -9.554 -2.538 1.00 0.00 C ATOM 252 CG LYS A 67 -6.560 -9.216 -3.214 1.00 0.00 C ATOM 253 CD LYS A 67 -7.621 -10.235 -2.795 1.00 0.00 C ATOM 254 CE LYS A 67 -9.014 -9.683 -3.105 1.00 0.00 C ATOM 255 NZ LYS A 67 -10.061 -10.733 -2.953 1.00 0.00 N ATOM 0 H LYS A 67 -2.505 -8.607 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.114 -8.721 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.978 -10.601 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.313 -9.419 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.876 -8.211 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.442 -9.224 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.465 -11.175 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.533 -10.450 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.233 -8.849 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.034 -9.292 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.994 -10.327 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.864 -11.517 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.057 -11.088 -1.976 1.00 0.00 H new ATOM 269 N ILE A 68 -5.168 -6.508 -3.517 1.00 0.00 N ATOM 270 CA ILE A 68 -5.511 -5.117 -3.233 1.00 0.00 C ATOM 271 C ILE A 68 -6.937 -5.024 -2.699 1.00 0.00 C ATOM 272 O ILE A 68 -7.861 -5.624 -3.249 1.00 0.00 O ATOM 273 CB ILE A 68 -5.393 -4.264 -4.499 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.014 -4.472 -5.130 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.566 -2.787 -4.139 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.002 -3.884 -6.542 1.00 0.00 C ATOM 0 H ILE A 68 -5.557 -6.875 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.815 -4.743 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.167 -4.561 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.248 -3.994 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.776 -5.535 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.482 -2.180 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.547 -2.635 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.792 -2.492 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.019 -4.033 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.757 -4.382 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.221 -2.817 -6.494 1.00 0.00 H new ATOM 288 N LEU A 69 -7.105 -4.266 -1.621 1.00 0.00 N ATOM 289 CA LEU A 69 -8.425 -4.101 -1.017 1.00 0.00 C ATOM 290 C LEU A 69 -9.062 -2.788 -1.467 1.00 0.00 C ATOM 291 O LEU A 69 -10.283 -2.684 -1.583 1.00 0.00 O ATOM 292 CB LEU A 69 -8.319 -4.105 0.509 1.00 0.00 C ATOM 293 CG LEU A 69 -8.290 -5.490 1.161 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.891 -6.092 1.019 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.640 -5.361 2.645 1.00 0.00 C ATOM 0 H LEU A 69 -6.354 -3.761 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.048 -4.935 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.414 -3.568 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.163 -3.548 0.916 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.016 -6.138 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.870 -7.078 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.640 -6.183 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.165 -5.444 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.620 -6.346 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.913 -4.713 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.637 -4.932 2.748 1.00 0.00 H new ATOM 307 N VAL A 70 -8.221 -1.787 -1.715 1.00 0.00 N ATOM 308 CA VAL A 70 -8.717 -0.483 -2.149 1.00 0.00 C ATOM 309 C VAL A 70 -8.252 -0.175 -3.570 1.00 0.00 C ATOM 310 O VAL A 70 -7.145 -0.536 -3.971 1.00 0.00 O ATOM 311 CB VAL A 70 -8.230 0.620 -1.203 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.744 0.340 0.210 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.698 0.655 -1.184 1.00 0.00 C ATOM 0 H VAL A 70 -7.207 -1.851 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.806 -0.516 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.608 1.581 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.399 1.123 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.834 0.321 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.366 -0.624 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.360 1.442 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.316 -0.306 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.326 0.855 -2.189 1.00 0.00 H new ATOM 323 N LYS A 71 -9.113 0.503 -4.324 1.00 0.00 N ATOM 324 CA LYS A 71 -8.788 0.864 -5.699 1.00 0.00 C ATOM 325 C LYS A 71 -9.188 2.309 -5.974 1.00 0.00 C ATOM 326 O LYS A 71 -9.935 2.918 -5.207 1.00 0.00 O ATOM 327 CB LYS A 71 -9.516 -0.053 -6.685 1.00 0.00 C ATOM 328 CG LYS A 71 -11.014 -0.055 -6.371 1.00 0.00 C ATOM 329 CD LYS A 71 -11.341 -1.231 -5.447 1.00 0.00 C ATOM 330 CE LYS A 71 -12.728 -1.779 -5.789 1.00 0.00 C ATOM 331 NZ LYS A 71 -12.643 -2.895 -6.773 1.00 0.00 N ATOM 0 H LYS A 71 -10.033 0.811 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.712 0.751 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.348 0.288 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.118 -1.066 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.298 0.884 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.590 -0.133 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.591 -2.014 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.312 -0.908 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.217 -2.130 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.347 -0.979 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.599 -3.245 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.198 -2.553 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.072 -3.667 -6.374 1.00 0.00 H new ATOM 345 N GLU A 72 -8.683 2.851 -7.077 1.00 0.00 N ATOM 346 CA GLU A 72 -8.991 4.231 -7.452 1.00 0.00 C ATOM 347 C GLU A 72 -10.495 4.415 -7.634 1.00 0.00 C ATOM 348 O GLU A 72 -11.062 4.036 -8.660 1.00 0.00 O ATOM 349 CB GLU A 72 -8.284 4.602 -8.756 1.00 0.00 C ATOM 350 CG GLU A 72 -8.138 6.122 -8.845 1.00 0.00 C ATOM 351 CD GLU A 72 -7.812 6.518 -10.281 1.00 0.00 C ATOM 352 OE1 GLU A 72 -8.417 5.959 -11.181 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.962 7.375 -10.460 1.00 0.00 O ATOM 0 H GLU A 72 -8.064 2.363 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.641 4.881 -6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.303 4.129 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.853 4.230 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.060 6.606 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.349 6.462 -8.175 1.00 0.00 H new ATOM 360 N GLY A 73 -11.134 5.000 -6.625 1.00 0.00 N ATOM 361 CA GLY A 73 -12.574 5.231 -6.679 1.00 0.00 C ATOM 362 C GLY A 73 -13.219 4.956 -5.324 1.00 0.00 C ATOM 363 O GLY A 73 -14.209 5.587 -4.953 1.00 0.00 O ATOM 0 H GLY A 73 -10.683 5.320 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.771 6.261 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.022 4.588 -7.437 1.00 0.00 H new ATOM 367 N ASP A 74 -12.644 4.007 -4.590 1.00 0.00 N ATOM 368 CA ASP A 74 -13.171 3.654 -3.275 1.00 0.00 C ATOM 369 C ASP A 74 -12.514 4.503 -2.191 1.00 0.00 C ATOM 370 O ASP A 74 -11.362 4.919 -2.320 1.00 0.00 O ATOM 371 CB ASP A 74 -12.913 2.176 -2.972 1.00 0.00 C ATOM 372 CG ASP A 74 -13.845 1.314 -3.816 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.097 1.684 -4.951 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.292 0.295 -3.316 1.00 0.00 O ATOM 0 H ASP A 74 -11.823 3.474 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.245 3.841 -3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.874 1.926 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.076 1.977 -1.913 1.00 0.00 H new ATOM 379 N THR A 75 -13.260 4.754 -1.119 1.00 0.00 N ATOM 380 CA THR A 75 -12.742 5.554 -0.013 1.00 0.00 C ATOM 381 C THR A 75 -12.193 4.648 1.085 1.00 0.00 C ATOM 382 O THR A 75 -12.669 3.531 1.284 1.00 0.00 O ATOM 383 CB THR A 75 -13.848 6.435 0.574 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.746 6.816 -0.459 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.228 7.685 1.201 1.00 0.00 C ATOM 0 H THR A 75 -14.215 4.419 -0.993 1.00 0.00 H new ATOM 0 HA THR A 75 -11.942 6.186 -0.398 1.00 0.00 H new ATOM 0 HB THR A 75 -14.389 5.878 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.456 7.379 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.016 8.312 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.540 7.391 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.686 8.244 0.438 1.00 0.00 H new ATOM 393 N VAL A 76 -11.184 5.144 1.795 1.00 0.00 N ATOM 394 CA VAL A 76 -10.572 4.371 2.873 1.00 0.00 C ATOM 395 C VAL A 76 -10.641 5.142 4.188 1.00 0.00 C ATOM 396 O VAL A 76 -10.957 6.331 4.213 1.00 0.00 O ATOM 397 CB VAL A 76 -9.108 4.066 2.549 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.036 3.152 1.326 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.367 5.371 2.252 1.00 0.00 C ATOM 0 H VAL A 76 -10.776 6.067 1.647 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.124 3.436 2.971 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.644 3.571 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.993 2.935 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.563 2.221 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.501 3.648 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.324 5.153 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.831 5.867 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.417 6.024 3.123 1.00 0.00 H new ATOM 409 N LYS A 77 -10.337 4.448 5.281 1.00 0.00 N ATOM 410 CA LYS A 77 -10.363 5.073 6.601 1.00 0.00 C ATOM 411 C LYS A 77 -9.049 4.821 7.333 1.00 0.00 C ATOM 412 O LYS A 77 -8.405 3.788 7.144 1.00 0.00 O ATOM 413 CB LYS A 77 -11.516 4.514 7.437 1.00 0.00 C ATOM 414 CG LYS A 77 -11.861 5.499 8.556 1.00 0.00 C ATOM 415 CD LYS A 77 -13.320 5.309 8.972 1.00 0.00 C ATOM 416 CE LYS A 77 -13.423 4.144 9.956 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.839 3.884 10.347 1.00 0.00 N ATOM 0 H LYS A 77 -10.072 3.463 5.281 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.504 6.145 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.388 4.345 6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.237 3.549 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.204 5.339 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.699 6.522 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.700 6.221 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.937 5.113 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.998 3.247 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.833 4.364 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.874 3.088 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.236 4.733 10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.396 3.650 9.500 1.00 0.00 H new ATOM 431 N ALA A 78 -8.658 5.778 8.169 1.00 0.00 N ATOM 432 CA ALA A 78 -7.415 5.656 8.929 1.00 0.00 C ATOM 433 C ALA A 78 -7.454 4.423 9.829 1.00 0.00 C ATOM 434 O ALA A 78 -8.063 4.438 10.899 1.00 0.00 O ATOM 435 CB ALA A 78 -7.193 6.897 9.795 1.00 0.00 C ATOM 0 H ALA A 78 -9.177 6.640 8.338 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.596 5.558 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.263 6.789 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.133 7.779 9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.024 7.008 10.491 1.00 0.00 H new ATOM 441 N GLY A 79 -6.797 3.357 9.381 1.00 0.00 N ATOM 442 CA GLY A 79 -6.761 2.117 10.153 1.00 0.00 C ATOM 443 C GLY A 79 -7.298 0.948 9.333 1.00 0.00 C ATOM 444 O GLY A 79 -6.874 -0.195 9.504 1.00 0.00 O ATOM 0 H GLY A 79 -6.288 3.325 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.738 1.908 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.353 2.232 11.061 1.00 0.00 H new ATOM 448 N GLN A 80 -8.241 1.247 8.443 1.00 0.00 N ATOM 449 CA GLN A 80 -8.835 0.213 7.601 1.00 0.00 C ATOM 450 C GLN A 80 -7.787 -0.393 6.672 1.00 0.00 C ATOM 451 O GLN A 80 -6.897 0.301 6.180 1.00 0.00 O ATOM 452 CB GLN A 80 -9.968 0.799 6.756 1.00 0.00 C ATOM 453 CG GLN A 80 -10.945 -0.313 6.368 1.00 0.00 C ATOM 454 CD GLN A 80 -12.123 0.289 5.610 1.00 0.00 C ATOM 455 OE1 GLN A 80 -13.156 0.605 6.201 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.031 0.468 4.320 1.00 0.00 N ATOM 0 H GLN A 80 -8.607 2.186 8.287 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.230 -0.564 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.489 1.576 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.562 1.269 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.441 -1.055 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.298 -0.829 7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.176 0.207 3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.814 0.869 3.804 1.00 0.00 H new ATOM 465 N THR A 81 -7.904 -1.697 6.435 1.00 0.00 N ATOM 466 CA THR A 81 -6.964 -2.393 5.559 1.00 0.00 C ATOM 467 C THR A 81 -7.097 -1.880 4.130 1.00 0.00 C ATOM 468 O THR A 81 -8.203 -1.640 3.642 1.00 0.00 O ATOM 469 CB THR A 81 -7.228 -3.900 5.575 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.305 -4.351 6.920 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.093 -4.627 4.854 1.00 0.00 C ATOM 0 H THR A 81 -8.633 -2.289 6.833 1.00 0.00 H new ATOM 0 HA THR A 81 -5.955 -2.201 5.925 1.00 0.00 H new ATOM 0 HB THR A 81 -8.169 -4.110 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.476 -5.316 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.283 -5.700 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.036 -4.280 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.149 -4.419 5.359 1.00 0.00 H new ATOM 479 N VAL A 82 -5.959 -1.703 3.467 1.00 0.00 N ATOM 480 CA VAL A 82 -5.963 -1.205 2.093 1.00 0.00 C ATOM 481 C VAL A 82 -5.352 -2.222 1.130 1.00 0.00 C ATOM 482 O VAL A 82 -5.747 -2.300 -0.033 1.00 0.00 O ATOM 483 CB VAL A 82 -5.171 0.101 1.999 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.891 1.192 2.795 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.770 -0.110 2.575 1.00 0.00 C ATOM 0 H VAL A 82 -5.033 -1.893 3.851 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.002 -1.032 1.812 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.093 0.404 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.328 2.123 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.890 1.342 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.969 0.889 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.205 0.820 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.848 -0.413 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.257 -0.887 2.009 1.00 0.00 H new ATOM 495 N LEU A 83 -4.380 -2.994 1.612 1.00 0.00 N ATOM 496 CA LEU A 83 -3.729 -3.985 0.756 1.00 0.00 C ATOM 497 C LEU A 83 -3.008 -5.046 1.585 1.00 0.00 C ATOM 498 O LEU A 83 -2.562 -4.790 2.703 1.00 0.00 O ATOM 499 CB LEU A 83 -2.717 -3.296 -0.163 1.00 0.00 C ATOM 500 CG LEU A 83 -1.885 -4.224 -1.056 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.607 -3.536 -2.395 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.556 -4.543 -0.364 1.00 0.00 C ATOM 0 H LEU A 83 -4.031 -2.956 2.570 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.503 -4.472 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.254 -2.594 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.036 -2.709 0.453 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.438 -5.147 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.016 -4.197 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.551 -3.308 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.056 -2.612 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.036 -5.203 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.006 -3.618 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.751 -5.035 0.589 1.00 0.00 H new ATOM 514 N VAL A 84 -2.891 -6.239 1.007 1.00 0.00 N ATOM 515 CA VAL A 84 -2.212 -7.349 1.674 1.00 0.00 C ATOM 516 C VAL A 84 -0.823 -7.536 1.069 1.00 0.00 C ATOM 517 O VAL A 84 -0.616 -7.294 -0.120 1.00 0.00 O ATOM 518 CB VAL A 84 -3.013 -8.646 1.511 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.411 -9.741 2.394 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.467 -8.408 1.930 1.00 0.00 C ATOM 0 H VAL A 84 -3.256 -6.462 0.081 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.127 -7.117 2.736 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.977 -8.958 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.984 -10.661 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.376 -9.917 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.444 -9.426 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.035 -9.331 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.498 -8.092 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.904 -7.631 1.302 1.00 0.00 H new ATOM 530 N LEU A 85 0.130 -7.964 1.894 1.00 0.00 N ATOM 531 CA LEU A 85 1.494 -8.168 1.415 1.00 0.00 C ATOM 532 C LEU A 85 1.988 -9.567 1.768 1.00 0.00 C ATOM 533 O LEU A 85 1.344 -10.299 2.519 1.00 0.00 O ATOM 534 CB LEU A 85 2.438 -7.132 2.031 1.00 0.00 C ATOM 535 CG LEU A 85 2.542 -5.806 1.274 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.968 -4.698 2.239 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.581 -5.937 0.157 1.00 0.00 C ATOM 0 H LEU A 85 -0.013 -8.173 2.882 1.00 0.00 H new ATOM 0 HA LEU A 85 1.487 -8.054 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.108 -6.925 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.434 -7.570 2.102 1.00 0.00 H new ATOM 0 HG LEU A 85 1.572 -5.558 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.042 -3.754 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.229 -4.604 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.937 -4.945 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.656 -4.993 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.550 -6.186 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.278 -6.726 -0.532 1.00 0.00 H new ATOM 549 N GLU A 86 3.140 -9.928 1.209 1.00 0.00 N ATOM 550 CA GLU A 86 3.722 -11.242 1.461 1.00 0.00 C ATOM 551 C GLU A 86 5.234 -11.131 1.640 1.00 0.00 C ATOM 552 O GLU A 86 5.966 -10.843 0.694 1.00 0.00 O ATOM 553 CB GLU A 86 3.427 -12.187 0.296 1.00 0.00 C ATOM 554 CG GLU A 86 3.299 -13.619 0.818 1.00 0.00 C ATOM 555 CD GLU A 86 4.686 -14.180 1.113 1.00 0.00 C ATOM 556 OE1 GLU A 86 5.584 -13.929 0.326 1.00 0.00 O ATOM 557 OE2 GLU A 86 4.830 -14.852 2.121 1.00 0.00 O ATOM 0 H GLU A 86 3.685 -9.334 0.584 1.00 0.00 H new ATOM 0 HA GLU A 86 3.277 -11.639 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.506 -11.888 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.225 -12.129 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.689 -13.635 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.793 -14.242 0.081 1.00 0.00 H new ATOM 564 N ALA A 87 5.691 -11.363 2.867 1.00 0.00 N ATOM 565 CA ALA A 87 7.120 -11.286 3.164 1.00 0.00 C ATOM 566 C ALA A 87 7.501 -12.314 4.225 1.00 0.00 C ATOM 567 O ALA A 87 6.745 -12.570 5.162 1.00 0.00 O ATOM 568 CB ALA A 87 7.490 -9.890 3.668 1.00 0.00 C ATOM 0 H ALA A 87 5.102 -11.603 3.664 1.00 0.00 H new ATOM 0 HA ALA A 87 7.665 -11.495 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.558 -9.852 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.248 -9.151 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.928 -9.670 4.576 1.00 0.00 H new ATOM 574 N MET A 88 8.686 -12.899 4.066 1.00 0.00 N ATOM 575 CA MET A 88 9.169 -13.901 5.014 1.00 0.00 C ATOM 576 C MET A 88 8.221 -15.097 5.060 1.00 0.00 C ATOM 577 O MET A 88 8.054 -15.735 6.100 1.00 0.00 O ATOM 578 CB MET A 88 9.285 -13.302 6.417 1.00 0.00 C ATOM 579 CG MET A 88 10.188 -12.068 6.373 1.00 0.00 C ATOM 580 SD MET A 88 11.888 -12.576 6.017 1.00 0.00 S ATOM 581 CE MET A 88 12.164 -11.474 4.609 1.00 0.00 C ATOM 0 H MET A 88 9.325 -12.699 3.297 1.00 0.00 H new ATOM 0 HA MET A 88 10.152 -14.231 4.679 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.298 -13.030 6.790 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.694 -14.041 7.106 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.837 -11.374 5.609 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.147 -11.540 7.326 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.173 -11.622 4.223 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.439 -11.696 3.826 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.046 -10.439 4.929 1.00 0.00 H new ATOM 591 N LYS A 89 7.602 -15.391 3.921 1.00 0.00 N ATOM 592 CA LYS A 89 6.669 -16.514 3.836 1.00 0.00 C ATOM 593 C LYS A 89 5.502 -16.312 4.797 1.00 0.00 C ATOM 594 O LYS A 89 4.953 -17.270 5.343 1.00 0.00 O ATOM 595 CB LYS A 89 7.375 -17.829 4.179 1.00 0.00 C ATOM 596 CG LYS A 89 8.612 -17.991 3.293 1.00 0.00 C ATOM 597 CD LYS A 89 9.559 -19.015 3.920 1.00 0.00 C ATOM 598 CE LYS A 89 10.489 -19.577 2.845 1.00 0.00 C ATOM 599 NZ LYS A 89 11.568 -20.415 3.440 1.00 0.00 N ATOM 0 H LYS A 89 7.726 -14.874 3.051 1.00 0.00 H new ATOM 0 HA LYS A 89 6.295 -16.561 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.664 -17.835 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.696 -18.668 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.317 -18.316 2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.119 -17.033 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.143 -18.548 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.987 -19.822 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.912 -20.173 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.933 -18.756 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.181 -20.780 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.133 -19.839 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.144 -21.212 3.957 1.00 0.00 H new ATOM 613 N MET A 90 5.128 -15.051 4.998 1.00 0.00 N ATOM 614 CA MET A 90 4.023 -14.727 5.895 1.00 0.00 C ATOM 615 C MET A 90 3.190 -13.585 5.322 1.00 0.00 C ATOM 616 O MET A 90 3.716 -12.531 4.966 1.00 0.00 O ATOM 617 CB MET A 90 4.552 -14.317 7.271 1.00 0.00 C ATOM 618 CG MET A 90 3.397 -14.279 8.273 1.00 0.00 C ATOM 619 SD MET A 90 2.875 -15.969 8.655 1.00 0.00 S ATOM 620 CE MET A 90 2.654 -15.742 10.438 1.00 0.00 C ATOM 0 H MET A 90 5.569 -14.244 4.557 1.00 0.00 H new ATOM 0 HA MET A 90 3.400 -15.616 5.997 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.313 -15.022 7.604 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.028 -13.338 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.708 -13.768 9.184 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.562 -13.713 7.860 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.327 -16.680 10.886 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.600 -15.436 10.886 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.902 -14.973 10.616 1.00 0.00 H new ATOM 630 N GLU A 91 1.882 -13.807 5.237 1.00 0.00 N ATOM 631 CA GLU A 91 0.978 -12.792 4.704 1.00 0.00 C ATOM 632 C GLU A 91 0.887 -11.603 5.655 1.00 0.00 C ATOM 633 O GLU A 91 0.643 -11.761 6.851 1.00 0.00 O ATOM 634 CB GLU A 91 -0.423 -13.374 4.506 1.00 0.00 C ATOM 635 CG GLU A 91 -0.523 -14.014 3.121 1.00 0.00 C ATOM 636 CD GLU A 91 -1.975 -14.387 2.838 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.582 -15.012 3.693 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.459 -14.041 1.773 1.00 0.00 O ATOM 0 H GLU A 91 1.427 -14.672 5.527 1.00 0.00 H new ATOM 0 HA GLU A 91 1.376 -12.461 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.631 -14.116 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.172 -12.589 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.159 -13.322 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.108 -14.901 3.072 1.00 0.00 H new ATOM 645 N THR A 92 1.080 -10.409 5.105 1.00 0.00 N ATOM 646 CA THR A 92 1.011 -9.189 5.904 1.00 0.00 C ATOM 647 C THR A 92 -0.209 -8.372 5.489 1.00 0.00 C ATOM 648 O THR A 92 -0.925 -8.737 4.557 1.00 0.00 O ATOM 649 CB THR A 92 2.277 -8.352 5.705 1.00 0.00 C ATOM 650 OG1 THR A 92 3.371 -9.216 5.431 1.00 0.00 O ATOM 651 CG2 THR A 92 2.568 -7.547 6.973 1.00 0.00 C ATOM 0 H THR A 92 1.284 -10.259 4.117 1.00 0.00 H new ATOM 0 HA THR A 92 0.928 -9.462 6.956 1.00 0.00 H new ATOM 0 HB THR A 92 2.132 -7.667 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.184 -8.684 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.470 -6.952 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.728 -6.886 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.714 -8.228 7.811 1.00 0.00 H new ATOM 659 N GLU A 93 -0.448 -7.265 6.187 1.00 0.00 N ATOM 660 CA GLU A 93 -1.594 -6.418 5.871 1.00 0.00 C ATOM 661 C GLU A 93 -1.263 -4.952 6.119 1.00 0.00 C ATOM 662 O GLU A 93 -0.684 -4.592 7.144 1.00 0.00 O ATOM 663 CB GLU A 93 -2.798 -6.803 6.732 1.00 0.00 C ATOM 664 CG GLU A 93 -3.229 -8.233 6.403 1.00 0.00 C ATOM 665 CD GLU A 93 -4.555 -8.534 7.092 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.596 -8.458 8.309 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.509 -8.835 6.393 1.00 0.00 O ATOM 0 H GLU A 93 0.127 -6.937 6.963 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.835 -6.564 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.542 -6.724 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.622 -6.113 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.331 -8.355 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.467 -8.939 6.733 1.00 0.00 H new ATOM 674 N ILE A 94 -1.644 -4.113 5.162 1.00 0.00 N ATOM 675 CA ILE A 94 -1.392 -2.679 5.269 1.00 0.00 C ATOM 676 C ILE A 94 -2.671 -1.949 5.670 1.00 0.00 C ATOM 677 O ILE A 94 -3.778 -2.414 5.403 1.00 0.00 O ATOM 678 CB ILE A 94 -0.895 -2.122 3.931 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.286 -2.967 3.419 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.453 -0.666 4.111 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.447 -2.932 4.423 1.00 0.00 C ATOM 0 H ILE A 94 -2.125 -4.397 4.309 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.628 -2.523 6.030 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.704 -2.164 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.036 -3.996 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.621 -2.588 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.100 -0.272 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.297 -0.070 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.352 -0.618 4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.273 -3.534 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.780 -1.903 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.113 -3.334 5.380 1.00 0.00 H new ATOM 693 N ASN A 95 -2.506 -0.798 6.314 1.00 0.00 N ATOM 694 CA ASN A 95 -3.655 -0.008 6.746 1.00 0.00 C ATOM 695 C ASN A 95 -3.422 1.469 6.455 1.00 0.00 C ATOM 696 O ASN A 95 -2.312 1.981 6.606 1.00 0.00 O ATOM 697 CB ASN A 95 -3.899 -0.187 8.246 1.00 0.00 C ATOM 698 CG ASN A 95 -4.055 -1.670 8.564 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.992 -2.417 8.668 1.00 0.00 O flip ATOM 700 ND2 ASN A 95 -5.173 -2.163 8.722 1.00 0.00 N flip ATOM 0 H ASN A 95 -1.599 -0.394 6.547 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.528 -0.356 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.067 0.232 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.795 0.356 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.005 -1.578 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.267 -3.156 8.934 1.00 0.00 H new ATOM 707 N ALA A 96 -4.483 2.151 6.033 1.00 0.00 N ATOM 708 CA ALA A 96 -4.383 3.575 5.719 1.00 0.00 C ATOM 709 C ALA A 96 -3.984 4.369 6.969 1.00 0.00 C ATOM 710 O ALA A 96 -4.524 4.139 8.051 1.00 0.00 O ATOM 711 CB ALA A 96 -5.721 4.102 5.199 1.00 0.00 C ATOM 0 H ALA A 96 -5.411 1.748 5.901 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.621 3.700 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.630 5.164 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.000 3.559 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.489 3.960 5.960 1.00 0.00 H new ATOM 717 N PRO A 97 -3.038 5.313 6.841 1.00 0.00 N ATOM 718 CA PRO A 97 -2.588 6.127 7.980 1.00 0.00 C ATOM 719 C PRO A 97 -3.619 7.178 8.383 1.00 0.00 C ATOM 720 O PRO A 97 -3.735 7.538 9.555 1.00 0.00 O ATOM 721 CB PRO A 97 -1.314 6.798 7.474 1.00 0.00 C ATOM 722 CG PRO A 97 -1.457 6.839 5.991 1.00 0.00 C ATOM 723 CD PRO A 97 -2.325 5.676 5.601 1.00 0.00 C ATOM 0 HA PRO A 97 -2.433 5.519 8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.206 7.801 7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.428 6.235 7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.907 7.780 5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.482 6.772 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.022 5.949 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.729 4.843 5.228 1.00 0.00 H new ATOM 731 N THR A 98 -4.366 7.664 7.397 1.00 0.00 N ATOM 732 CA THR A 98 -5.387 8.675 7.653 1.00 0.00 C ATOM 733 C THR A 98 -6.575 8.480 6.717 1.00 0.00 C ATOM 734 O THR A 98 -6.451 7.876 5.652 1.00 0.00 O ATOM 735 CB THR A 98 -4.816 10.080 7.447 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.161 10.141 6.188 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.816 10.394 8.560 1.00 0.00 C ATOM 0 H THR A 98 -4.285 7.378 6.421 1.00 0.00 H new ATOM 0 HA THR A 98 -5.715 8.566 8.687 1.00 0.00 H new ATOM 0 HB THR A 98 -5.625 10.810 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.796 11.040 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.410 11.395 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.319 10.345 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.005 9.666 8.536 1.00 0.00 H new ATOM 745 N ASP A 99 -7.729 9.000 7.126 1.00 0.00 N ATOM 746 CA ASP A 99 -8.937 8.877 6.314 1.00 0.00 C ATOM 747 C ASP A 99 -8.781 9.657 5.013 1.00 0.00 C ATOM 748 O ASP A 99 -8.203 10.743 4.987 1.00 0.00 O ATOM 749 CB ASP A 99 -10.153 9.411 7.073 1.00 0.00 C ATOM 750 CG ASP A 99 -9.864 10.820 7.578 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.247 10.939 8.623 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.264 11.761 6.911 1.00 0.00 O ATOM 0 H ASP A 99 -7.854 9.505 8.004 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.087 7.821 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.026 9.420 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.388 8.755 7.911 1.00 0.00 H new ATOM 757 N GLY A 100 -9.306 9.088 3.933 1.00 0.00 N ATOM 758 CA GLY A 100 -9.221 9.734 2.626 1.00 0.00 C ATOM 759 C GLY A 100 -9.778 8.826 1.535 1.00 0.00 C ATOM 760 O GLY A 100 -10.558 7.914 1.804 1.00 0.00 O ATOM 0 H GLY A 100 -9.790 8.190 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.776 10.672 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.183 9.981 2.405 1.00 0.00 H new ATOM 764 N LYS A 101 -9.366 9.089 0.297 1.00 0.00 N ATOM 765 CA LYS A 101 -9.828 8.290 -0.835 1.00 0.00 C ATOM 766 C LYS A 101 -8.654 7.908 -1.731 1.00 0.00 C ATOM 767 O LYS A 101 -7.679 8.648 -1.852 1.00 0.00 O ATOM 768 CB LYS A 101 -10.851 9.073 -1.660 1.00 0.00 C ATOM 769 CG LYS A 101 -11.481 8.150 -2.705 1.00 0.00 C ATOM 770 CD LYS A 101 -12.844 8.706 -3.123 1.00 0.00 C ATOM 771 CE LYS A 101 -12.649 10.029 -3.868 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.804 10.325 -4.762 1.00 0.00 N ATOM 0 H LYS A 101 -8.720 9.840 0.054 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.294 7.387 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.623 9.482 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.368 9.918 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.828 8.068 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.596 7.146 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.361 7.989 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.471 8.860 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.527 10.839 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.733 9.985 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.641 11.228 -5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.904 9.563 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.674 10.391 -4.195 1.00 0.00 H new ATOM 786 N VAL A 102 -8.763 6.740 -2.358 1.00 0.00 N ATOM 787 CA VAL A 102 -7.706 6.261 -3.245 1.00 0.00 C ATOM 788 C VAL A 102 -7.745 7.016 -4.569 1.00 0.00 C ATOM 789 O VAL A 102 -8.621 6.792 -5.404 1.00 0.00 O ATOM 790 CB VAL A 102 -7.876 4.763 -3.514 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.670 4.240 -4.295 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.981 4.013 -2.182 1.00 0.00 C ATOM 0 H VAL A 102 -9.563 6.113 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.746 6.434 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.783 4.603 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.794 3.174 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.593 4.771 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.762 4.402 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.102 2.947 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.074 4.177 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.842 4.381 -1.624 1.00 0.00 H new ATOM 802 N GLU A 103 -6.786 7.920 -4.750 1.00 0.00 N ATOM 803 CA GLU A 103 -6.720 8.712 -5.976 1.00 0.00 C ATOM 804 C GLU A 103 -5.818 8.039 -7.011 1.00 0.00 C ATOM 805 O GLU A 103 -5.987 8.235 -8.215 1.00 0.00 O ATOM 806 CB GLU A 103 -6.186 10.117 -5.682 1.00 0.00 C ATOM 807 CG GLU A 103 -4.853 10.019 -4.936 1.00 0.00 C ATOM 808 CD GLU A 103 -4.012 11.255 -5.235 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.539 11.368 -6.354 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.855 12.071 -4.341 1.00 0.00 O ATOM 0 H GLU A 103 -6.051 8.122 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.731 8.785 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.053 10.668 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.908 10.673 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.029 9.937 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.318 9.120 -5.241 1.00 0.00 H new ATOM 817 N LYS A 104 -4.858 7.247 -6.537 1.00 0.00 N ATOM 818 CA LYS A 104 -3.942 6.558 -7.443 1.00 0.00 C ATOM 819 C LYS A 104 -3.305 5.356 -6.752 1.00 0.00 C ATOM 820 O LYS A 104 -2.764 5.468 -5.651 1.00 0.00 O ATOM 821 CB LYS A 104 -2.837 7.508 -7.911 1.00 0.00 C ATOM 822 CG LYS A 104 -2.062 6.864 -9.064 1.00 0.00 C ATOM 823 CD LYS A 104 -0.707 7.559 -9.221 1.00 0.00 C ATOM 824 CE LYS A 104 -0.900 8.903 -9.925 1.00 0.00 C ATOM 825 NZ LYS A 104 0.322 9.750 -9.824 1.00 0.00 N ATOM 0 H LYS A 104 -4.695 7.068 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.517 6.216 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.270 8.455 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.162 7.732 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.917 5.801 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.633 6.944 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.249 7.711 -8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.028 6.929 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.142 8.734 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.746 9.429 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.116 10.701 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.616 9.818 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.088 9.322 -10.383 1.00 0.00 H new ATOM 839 N VAL A 105 -3.374 4.205 -7.414 1.00 0.00 N ATOM 840 CA VAL A 105 -2.801 2.979 -6.863 1.00 0.00 C ATOM 841 C VAL A 105 -1.468 2.671 -7.538 1.00 0.00 C ATOM 842 O VAL A 105 -1.425 2.242 -8.691 1.00 0.00 O ATOM 843 CB VAL A 105 -3.754 1.797 -7.072 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.220 0.555 -6.341 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.140 2.162 -6.526 1.00 0.00 C ATOM 0 H VAL A 105 -3.817 4.094 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.644 3.129 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.826 1.576 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.904 -0.280 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.237 0.296 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.140 0.767 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.821 1.324 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.064 2.386 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.521 3.036 -7.055 1.00 0.00 H new ATOM 855 N LEU A 106 -0.379 2.897 -6.807 1.00 0.00 N ATOM 856 CA LEU A 106 0.956 2.641 -7.347 1.00 0.00 C ATOM 857 C LEU A 106 1.411 1.204 -7.071 1.00 0.00 C ATOM 858 O LEU A 106 2.587 0.879 -7.233 1.00 0.00 O ATOM 859 CB LEU A 106 1.971 3.605 -6.730 1.00 0.00 C ATOM 860 CG LEU A 106 1.520 5.064 -6.633 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.592 5.884 -5.914 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.308 5.626 -8.040 1.00 0.00 C ATOM 0 H LEU A 106 -0.392 3.252 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 106 0.902 2.791 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.219 3.252 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.888 3.565 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 106 0.586 5.118 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.270 6.923 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.744 5.484 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.527 5.830 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.987 6.665 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.242 5.571 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.544 5.043 -8.553 1.00 0.00 H new ATOM 874 N VAL A 107 0.480 0.343 -6.657 1.00 0.00 N ATOM 875 CA VAL A 107 0.822 -1.047 -6.374 1.00 0.00 C ATOM 876 C VAL A 107 -0.147 -1.985 -7.083 1.00 0.00 C ATOM 877 O VAL A 107 -1.338 -1.697 -7.202 1.00 0.00 O ATOM 878 CB VAL A 107 0.772 -1.319 -4.871 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.865 -0.512 -4.169 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.596 -0.907 -4.323 1.00 0.00 C ATOM 0 H VAL A 107 -0.501 0.581 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 107 1.834 -1.225 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 107 0.932 -2.382 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.829 -0.706 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.840 -0.805 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.706 0.551 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.632 -1.101 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.756 0.156 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.376 -1.482 -4.822 1.00 0.00 H new ATOM 890 N LYS A 108 0.375 -3.113 -7.553 1.00 0.00 N ATOM 891 CA LYS A 108 -0.456 -4.089 -8.250 1.00 0.00 C ATOM 892 C LYS A 108 -0.314 -5.464 -7.606 1.00 0.00 C ATOM 893 O LYS A 108 0.571 -5.692 -6.783 1.00 0.00 O ATOM 894 CB LYS A 108 -0.051 -4.182 -9.722 1.00 0.00 C ATOM 895 CG LYS A 108 -0.865 -3.177 -10.540 1.00 0.00 C ATOM 896 CD LYS A 108 -0.366 -3.169 -11.986 1.00 0.00 C ATOM 897 CE LYS A 108 0.680 -2.067 -12.159 1.00 0.00 C ATOM 898 NZ LYS A 108 0.041 -0.730 -12.313 1.00 0.00 N ATOM 0 H LYS A 108 1.358 -3.373 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.493 -3.761 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.014 -3.978 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.221 -5.192 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.922 -3.441 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.773 -2.181 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.066 -4.138 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.200 -3.004 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.346 -2.056 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.295 -2.281 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.777 -0.005 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.575 -0.734 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.526 -0.517 -11.468 1.00 0.00 H new ATOM 912 N GLU A 109 -1.201 -6.377 -7.989 1.00 0.00 N ATOM 913 CA GLU A 109 -1.169 -7.730 -7.442 1.00 0.00 C ATOM 914 C GLU A 109 0.020 -8.502 -8.006 1.00 0.00 C ATOM 915 O GLU A 109 0.382 -8.348 -9.172 1.00 0.00 O ATOM 916 CB GLU A 109 -2.458 -8.478 -7.788 1.00 0.00 C ATOM 917 CG GLU A 109 -3.648 -7.767 -7.141 1.00 0.00 C ATOM 918 CD GLU A 109 -4.948 -8.376 -7.655 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.210 -8.251 -8.840 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.662 -8.960 -6.856 1.00 0.00 O ATOM 0 H GLU A 109 -1.943 -6.208 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.074 -7.654 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.589 -8.519 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.400 -9.508 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.595 -7.860 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.617 -6.702 -7.371 1.00 0.00 H new ATOM 927 N ARG A 110 0.624 -9.335 -7.161 1.00 0.00 N ATOM 928 CA ARG A 110 1.775 -10.132 -7.580 1.00 0.00 C ATOM 929 C ARG A 110 2.930 -9.225 -7.999 1.00 0.00 C ATOM 930 O ARG A 110 3.650 -9.511 -8.957 1.00 0.00 O ATOM 931 CB ARG A 110 1.400 -11.047 -8.750 1.00 0.00 C ATOM 932 CG ARG A 110 0.175 -11.883 -8.371 1.00 0.00 C ATOM 933 CD ARG A 110 0.161 -13.171 -9.197 1.00 0.00 C ATOM 934 NE ARG A 110 -0.643 -12.999 -10.405 1.00 0.00 N ATOM 935 CZ ARG A 110 -0.903 -14.028 -11.205 1.00 0.00 C ATOM 936 NH1 ARG A 110 -1.911 -14.816 -10.949 1.00 0.00 N ATOM 937 NH2 ARG A 110 -0.151 -14.251 -12.248 1.00 0.00 N ATOM 0 H ARG A 110 0.339 -9.475 -6.192 1.00 0.00 H new ATOM 0 HA ARG A 110 2.086 -10.743 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.187 -10.451 -9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.237 -11.700 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.199 -12.121 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.737 -11.313 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.180 -13.446 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.242 -13.988 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.010 -12.076 -10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.500 -14.642 -10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.110 -15.606 -11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.637 -13.635 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.351 -15.041 -12.862 1.00 0.00 H new ATOM 951 N ASP A 111 3.100 -8.128 -7.267 1.00 0.00 N ATOM 952 CA ASP A 111 4.173 -7.184 -7.567 1.00 0.00 C ATOM 953 C ASP A 111 5.020 -6.931 -6.323 1.00 0.00 C ATOM 954 O ASP A 111 4.522 -6.966 -5.198 1.00 0.00 O ATOM 955 CB ASP A 111 3.599 -5.854 -8.057 1.00 0.00 C ATOM 956 CG ASP A 111 3.305 -5.947 -9.551 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.426 -6.711 -9.914 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.964 -5.254 -10.309 1.00 0.00 O ATOM 0 H ASP A 111 2.516 -7.872 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 111 4.794 -7.619 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.687 -5.616 -7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.306 -5.047 -7.864 1.00 0.00 H new ATOM 963 N ALA A 112 6.307 -6.679 -6.539 1.00 0.00 N ATOM 964 CA ALA A 112 7.220 -6.425 -5.428 1.00 0.00 C ATOM 965 C ALA A 112 7.302 -4.931 -5.133 1.00 0.00 C ATOM 966 O ALA A 112 7.330 -4.103 -6.043 1.00 0.00 O ATOM 967 CB ALA A 112 8.621 -6.944 -5.755 1.00 0.00 C ATOM 0 H ALA A 112 6.739 -6.645 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 112 6.834 -6.947 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.288 -6.746 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.578 -8.018 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.998 -6.439 -6.644 1.00 0.00 H new ATOM 973 N VAL A 113 7.342 -4.597 -3.845 1.00 0.00 N ATOM 974 CA VAL A 113 7.424 -3.199 -3.432 1.00 0.00 C ATOM 975 C VAL A 113 8.655 -2.977 -2.560 1.00 0.00 C ATOM 976 O VAL A 113 9.166 -3.907 -1.935 1.00 0.00 O ATOM 977 CB VAL A 113 6.177 -2.799 -2.642 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.957 -2.835 -3.562 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.971 -3.781 -1.485 1.00 0.00 C ATOM 0 H VAL A 113 7.319 -5.268 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 113 7.496 -2.585 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 113 6.305 -1.791 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.068 -2.550 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.103 -2.138 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.829 -3.843 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.083 -3.497 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.843 -4.788 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.841 -3.757 -0.828 1.00 0.00 H new ATOM 989 N GLN A 114 9.128 -1.734 -2.524 1.00 0.00 N ATOM 990 CA GLN A 114 10.303 -1.401 -1.723 1.00 0.00 C ATOM 991 C GLN A 114 9.884 -0.716 -0.427 1.00 0.00 C ATOM 992 O GLN A 114 8.944 0.079 -0.404 1.00 0.00 O ATOM 993 CB GLN A 114 11.237 -0.474 -2.503 1.00 0.00 C ATOM 994 CG GLN A 114 11.833 -1.232 -3.692 1.00 0.00 C ATOM 995 CD GLN A 114 13.034 -2.045 -3.224 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.092 -1.489 -2.929 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.934 -3.343 -3.139 1.00 0.00 N ATOM 0 H GLN A 114 8.722 -0.949 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 114 10.828 -2.327 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.689 0.401 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.033 -0.112 -1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.083 -1.890 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.135 -0.531 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.058 -3.804 -3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.732 -3.897 -2.828 1.00 0.00 H new ATOM 1006 N GLY A 115 10.594 -1.033 0.653 1.00 0.00 N ATOM 1007 CA GLY A 115 10.290 -0.445 1.956 1.00 0.00 C ATOM 1008 C GLY A 115 10.405 1.076 1.908 1.00 0.00 C ATOM 1009 O GLY A 115 11.496 1.626 1.763 1.00 0.00 O ATOM 0 H GLY A 115 11.377 -1.687 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.282 -0.728 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.973 -0.842 2.707 1.00 0.00 H new ATOM 1013 N GLY A 116 9.263 1.747 2.028 1.00 0.00 N ATOM 1014 CA GLY A 116 9.244 3.208 1.995 1.00 0.00 C ATOM 1015 C GLY A 116 8.623 3.722 0.697 1.00 0.00 C ATOM 1016 O GLY A 116 8.105 4.837 0.644 1.00 0.00 O ATOM 0 H GLY A 116 8.349 1.310 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.679 3.587 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.260 3.590 2.092 1.00 0.00 H new ATOM 1020 N GLN A 117 8.684 2.902 -0.352 1.00 0.00 N ATOM 1021 CA GLN A 117 8.125 3.290 -1.646 1.00 0.00 C ATOM 1022 C GLN A 117 6.629 3.570 -1.528 1.00 0.00 C ATOM 1023 O GLN A 117 5.907 2.872 -0.815 1.00 0.00 O ATOM 1024 CB GLN A 117 8.345 2.182 -2.675 1.00 0.00 C ATOM 1025 CG GLN A 117 7.981 2.696 -4.071 1.00 0.00 C ATOM 1026 CD GLN A 117 7.547 1.525 -4.945 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.288 0.556 -5.110 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.377 1.557 -5.523 1.00 0.00 N ATOM 0 H GLN A 117 9.110 1.975 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 117 8.635 4.197 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.385 1.856 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.735 1.314 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.178 3.430 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.837 3.201 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.763 2.360 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.077 0.779 -6.111 1.00 0.00 H new ATOM 1037 N GLY A 118 6.175 4.599 -2.238 1.00 0.00 N ATOM 1038 CA GLY A 118 4.762 4.968 -2.212 1.00 0.00 C ATOM 1039 C GLY A 118 3.893 3.821 -2.716 1.00 0.00 C ATOM 1040 O GLY A 118 4.012 3.391 -3.864 1.00 0.00 O ATOM 0 H GLY A 118 6.758 5.187 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.469 5.232 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.601 5.851 -2.830 1.00 0.00 H new ATOM 1044 N LEU A 119 3.020 3.331 -1.844 1.00 0.00 N ATOM 1045 CA LEU A 119 2.132 2.229 -2.207 1.00 0.00 C ATOM 1046 C LEU A 119 0.845 2.762 -2.824 1.00 0.00 C ATOM 1047 O LEU A 119 0.457 2.370 -3.925 1.00 0.00 O ATOM 1048 CB LEU A 119 1.784 1.394 -0.973 1.00 0.00 C ATOM 1049 CG LEU A 119 2.977 0.778 -0.238 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.540 0.321 1.154 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.496 -0.425 -1.030 1.00 0.00 C ATOM 0 H LEU A 119 2.907 3.674 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 119 2.651 1.605 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.234 2.023 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.112 0.591 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 119 3.768 1.521 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.390 -0.118 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.169 1.177 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.748 -0.423 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.346 -0.865 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.704 -1.168 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.809 -0.100 -2.022 1.00 0.00 H new ATOM 1063 N ILE A 120 0.183 3.661 -2.100 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.066 4.246 -2.582 1.00 0.00 C ATOM 1065 C ILE A 120 -1.144 5.720 -2.197 1.00 0.00 C ATOM 1066 O ILE A 120 -0.717 6.119 -1.114 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.270 3.512 -1.986 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.125 2.007 -2.231 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.556 4.013 -2.649 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.249 1.261 -1.508 1.00 0.00 C ATOM 0 H ILE A 120 0.486 3.998 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.085 4.149 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.315 3.704 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.163 1.797 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.155 1.661 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.412 3.490 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.662 5.084 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.510 3.823 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.146 0.190 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.190 1.462 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.213 1.599 -1.888 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.700 6.524 -3.099 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.837 7.955 -2.847 1.00 0.00 C ATOM 1084 C LYS A 121 -3.231 8.261 -2.303 1.00 0.00 C ATOM 1085 O LYS A 121 -4.241 7.954 -2.936 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.604 8.748 -4.143 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.471 9.759 -3.939 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.568 10.868 -4.995 1.00 0.00 C ATOM 1089 CE LYS A 121 0.476 10.633 -6.090 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.725 11.401 -5.822 1.00 0.00 N ATOM 0 H LYS A 121 -2.059 6.213 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.091 8.250 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.353 8.067 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.518 9.267 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.531 10.190 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.494 9.257 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.567 10.883 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.408 11.841 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.707 9.570 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.066 10.928 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.258 11.517 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.482 12.337 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.308 10.886 -5.132 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.273 8.868 -1.120 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.548 9.210 -0.497 1.00 0.00 C ATOM 1106 C ILE A 122 -4.863 10.687 -0.703 1.00 0.00 C ATOM 1107 O ILE A 122 -3.975 11.539 -0.664 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.513 8.911 1.005 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.032 7.469 1.239 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.913 9.091 1.600 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.977 6.471 0.555 1.00 0.00 C ATOM 0 H ILE A 122 -2.449 9.131 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.323 8.604 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.824 9.601 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.021 7.348 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.988 7.263 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.884 8.877 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.246 10.117 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.607 8.407 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.622 5.455 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.981 6.581 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.000 6.667 -0.517 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.142 10.979 -0.922 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.574 12.358 -1.133 1.00 0.00 C ATOM 1125 C GLY A 123 -7.619 12.761 -0.099 1.00 0.00 C ATOM 1126 O GLY A 123 -7.732 12.069 0.901 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.292 13.755 -0.320 1.00 0.00 O ATOM 0 H GLY A 123 -6.891 10.287 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.716 13.027 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.988 12.465 -2.136 1.00 0.00 H new TER 1131 GLY A 123