USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc=-0.00579 K(o=-0.0058,f=-1.2) USER MOD Set 1.2: A 72 MET CE :methyl 152:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 SER OG : rot -62:sc= 0.0102 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.00776 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.0454 (180deg=-0.681) USER MOD Single : A 10 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.098) USER MOD Single : A 11 ASN : amide:sc= -0.0277 K(o=-0.028,f=-0.9) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 39:sc= 1.13 USER MOD Single : A 30 HIS : no HD1:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 38 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.7!) USER MOD Single : A 43 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.54) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 149:sc= -0.212 (180deg=-0.896) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 50 SER OG : rot 19:sc= 0.188 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.07) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -110:sc= -0.991 USER MOD Single : A 81 SER OG : rot 180:sc= 0.117 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 2.807 -16.457 1.787 1.00 0.00 N ATOM 30 CA ASP A 3 2.265 -15.608 2.854 1.00 0.00 C ATOM 31 C ASP A 3 2.939 -14.236 2.858 1.00 0.00 C ATOM 32 O ASP A 3 4.085 -14.097 3.289 1.00 0.00 O ATOM 33 CB ASP A 3 2.429 -16.274 4.225 1.00 0.00 C ATOM 34 CG ASP A 3 1.980 -17.722 4.231 1.00 0.00 C ATOM 35 OD1 ASP A 3 0.754 -17.963 4.252 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.853 -18.615 4.214 1.00 0.00 O ATOM 0 HA ASP A 3 1.201 -15.474 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.475 -16.221 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.855 -15.717 4.966 1.00 0.00 H new ATOM 41 N VAL A 4 2.218 -13.226 2.375 1.00 0.00 N ATOM 42 CA VAL A 4 2.744 -11.866 2.319 1.00 0.00 C ATOM 43 C VAL A 4 2.017 -10.956 3.311 1.00 0.00 C ATOM 44 O VAL A 4 0.911 -10.486 3.040 1.00 0.00 O ATOM 45 CB VAL A 4 2.625 -11.273 0.899 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.367 -9.948 0.809 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.149 -12.253 -0.141 1.00 0.00 C ATOM 0 H VAL A 4 1.268 -13.325 2.017 1.00 0.00 H new ATOM 0 HA VAL A 4 3.799 -11.920 2.589 1.00 0.00 H new ATOM 0 HB VAL A 4 1.570 -11.091 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.272 -9.545 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.941 -9.243 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.421 -10.105 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.055 -11.814 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.197 -12.472 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.570 -13.175 -0.096 1.00 0.00 H new ATOM 57 N ARG A 5 2.648 -10.714 4.461 1.00 0.00 N ATOM 58 CA ARG A 5 2.064 -9.860 5.497 1.00 0.00 C ATOM 59 C ARG A 5 2.464 -8.400 5.286 1.00 0.00 C ATOM 60 O ARG A 5 3.621 -8.027 5.495 1.00 0.00 O ATOM 61 CB ARG A 5 2.505 -10.328 6.887 1.00 0.00 C ATOM 62 CG ARG A 5 2.071 -11.746 7.224 1.00 0.00 C ATOM 63 CD ARG A 5 2.254 -12.047 8.705 1.00 0.00 C ATOM 64 NE ARG A 5 1.078 -12.700 9.282 1.00 0.00 N ATOM 65 CZ ARG A 5 0.852 -12.813 10.592 1.00 0.00 C ATOM 66 NH1 ARG A 5 1.721 -12.323 11.474 1.00 0.00 N ATOM 67 NH2 ARG A 5 -0.248 -13.418 11.025 1.00 0.00 N ATOM 0 H ARG A 5 3.563 -11.097 4.699 1.00 0.00 H new ATOM 0 HA ARG A 5 0.979 -9.936 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.591 -10.265 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.100 -9.647 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.025 -11.882 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.650 -12.455 6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.126 -12.687 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.453 -11.119 9.241 1.00 0.00 H new ATOM 0 HE ARG A 5 0.388 -13.093 8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.568 -11.856 11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.539 -12.414 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.919 -13.796 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.422 -13.505 12.026 1.00 0.00 H new ATOM 81 N ILE A 6 1.501 -7.579 4.867 1.00 0.00 N ATOM 82 CA ILE A 6 1.750 -6.160 4.621 1.00 0.00 C ATOM 83 C ILE A 6 1.134 -5.292 5.718 1.00 0.00 C ATOM 84 O ILE A 6 -0.017 -5.497 6.114 1.00 0.00 O ATOM 85 CB ILE A 6 1.190 -5.720 3.250 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.650 -6.679 2.145 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.618 -4.295 2.926 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.638 -6.849 1.029 1.00 0.00 C ATOM 0 H ILE A 6 0.540 -7.873 4.691 1.00 0.00 H new ATOM 0 HA ILE A 6 2.831 -6.023 4.623 1.00 0.00 H new ATOM 0 HB ILE A 6 0.102 -5.750 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.586 -6.312 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.860 -7.654 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.213 -4.005 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.242 -3.619 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.706 -4.240 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.031 -7.541 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.291 -7.246 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.446 -5.883 0.562 1.00 0.00 H new ATOM 100 N LYS A 7 1.907 -4.317 6.201 1.00 0.00 N ATOM 101 CA LYS A 7 1.441 -3.411 7.246 1.00 0.00 C ATOM 102 C LYS A 7 1.065 -2.055 6.657 1.00 0.00 C ATOM 103 O LYS A 7 1.894 -1.384 6.037 1.00 0.00 O ATOM 104 CB LYS A 7 2.513 -3.231 8.326 1.00 0.00 C ATOM 105 CG LYS A 7 3.082 -4.540 8.854 1.00 0.00 C ATOM 106 CD LYS A 7 2.760 -4.739 10.326 1.00 0.00 C ATOM 107 CE LYS A 7 3.805 -5.605 11.014 1.00 0.00 C ATOM 108 NZ LYS A 7 3.307 -6.168 12.300 1.00 0.00 N ATOM 0 H LYS A 7 2.859 -4.137 5.883 1.00 0.00 H new ATOM 0 HA LYS A 7 0.555 -3.853 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.327 -2.630 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.087 -2.670 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.677 -5.372 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.163 -4.550 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.706 -3.770 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.779 -5.203 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.094 -6.420 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.701 -5.012 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.115 -6.454 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.750 -5.447 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.708 -6.996 12.108 1.00 0.00 H new ATOM 122 N PHE A 8 -0.191 -1.658 6.854 1.00 0.00 N ATOM 123 CA PHE A 8 -0.691 -0.384 6.344 1.00 0.00 C ATOM 124 C PHE A 8 -0.934 0.604 7.484 1.00 0.00 C ATOM 125 O PHE A 8 -1.451 0.231 8.540 1.00 0.00 O ATOM 126 CB PHE A 8 -1.986 -0.601 5.553 1.00 0.00 C ATOM 127 CG PHE A 8 -1.807 -1.468 4.336 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.847 -2.850 4.440 1.00 0.00 C ATOM 129 CD2 PHE A 8 -1.597 -0.901 3.089 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.678 -3.649 3.326 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.427 -1.694 1.970 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.469 -3.070 2.088 1.00 0.00 C ATOM 0 H PHE A 8 -0.884 -2.204 7.366 1.00 0.00 H new ATOM 0 HA PHE A 8 0.066 0.036 5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.730 -1.055 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.381 0.367 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.012 -3.308 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.566 0.174 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.709 -4.724 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.262 -1.239 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.339 -3.692 1.215 1.00 0.00 H new ATOM 142 N GLU A 9 -0.557 1.864 7.264 1.00 0.00 N ATOM 143 CA GLU A 9 -0.734 2.904 8.273 1.00 0.00 C ATOM 144 C GLU A 9 -1.641 4.019 7.762 1.00 0.00 C ATOM 145 O GLU A 9 -1.396 4.596 6.699 1.00 0.00 O ATOM 146 CB GLU A 9 0.624 3.479 8.687 1.00 0.00 C ATOM 147 CG GLU A 9 0.715 3.813 10.169 1.00 0.00 C ATOM 148 CD GLU A 9 1.703 4.925 10.457 1.00 0.00 C ATOM 149 OE1 GLU A 9 2.923 4.652 10.452 1.00 0.00 O ATOM 150 OE2 GLU A 9 1.259 6.070 10.689 1.00 0.00 O ATOM 0 H GLU A 9 -0.128 2.187 6.397 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.210 2.451 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.405 2.762 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.820 4.381 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.270 4.104 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.008 2.920 10.721 1.00 0.00 H new ATOM 157 N HIS A 10 -2.690 4.315 8.527 1.00 0.00 N ATOM 158 CA HIS A 10 -3.643 5.357 8.163 1.00 0.00 C ATOM 159 C HIS A 10 -4.022 6.189 9.385 1.00 0.00 C ATOM 160 O HIS A 10 -4.536 5.658 10.372 1.00 0.00 O ATOM 161 CB HIS A 10 -4.897 4.734 7.548 1.00 0.00 C ATOM 162 CG HIS A 10 -5.801 5.727 6.887 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.158 5.776 7.118 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.539 6.709 5.991 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.694 6.741 6.391 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.732 7.323 5.700 1.00 0.00 N ATOM 0 H HIS A 10 -2.901 3.844 9.407 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.173 6.011 7.428 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.597 3.985 6.815 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.453 4.213 8.328 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.572 6.962 5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.740 7.008 6.367 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.855 8.103 5.054 1.00 0.00 H new ATOM 175 N ASN A 11 -3.765 7.496 9.311 1.00 0.00 N ATOM 176 CA ASN A 11 -4.076 8.412 10.408 1.00 0.00 C ATOM 177 C ASN A 11 -3.346 8.008 11.693 1.00 0.00 C ATOM 178 O ASN A 11 -3.855 8.213 12.797 1.00 0.00 O ATOM 179 CB ASN A 11 -5.591 8.452 10.651 1.00 0.00 C ATOM 180 CG ASN A 11 -6.088 9.840 11.018 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.312 10.702 11.436 1.00 0.00 O ATOM 182 ND2 ASN A 11 -7.389 10.066 10.868 1.00 0.00 N ATOM 0 H ASN A 11 -3.341 7.945 8.499 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.733 9.407 10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.108 8.110 9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.845 7.756 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.778 10.979 11.102 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.998 9.326 10.519 1.00 0.00 H new ATOM 189 N GLY A 12 -2.153 7.422 11.544 1.00 0.00 N ATOM 190 CA GLY A 12 -1.383 6.991 12.700 1.00 0.00 C ATOM 191 C GLY A 12 -1.637 5.536 13.068 1.00 0.00 C ATOM 192 O GLY A 12 -0.723 4.832 13.500 1.00 0.00 O ATOM 0 H GLY A 12 -1.710 7.240 10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.321 7.129 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.629 7.625 13.552 1.00 0.00 H new ATOM 196 N GLU A 13 -2.883 5.088 12.895 1.00 0.00 N ATOM 197 CA GLU A 13 -3.263 3.710 13.208 1.00 0.00 C ATOM 198 C GLU A 13 -2.584 2.720 12.261 1.00 0.00 C ATOM 199 O GLU A 13 -2.358 3.021 11.087 1.00 0.00 O ATOM 200 CB GLU A 13 -4.785 3.552 13.127 1.00 0.00 C ATOM 201 CG GLU A 13 -5.377 2.707 14.246 1.00 0.00 C ATOM 202 CD GLU A 13 -6.854 2.978 14.462 1.00 0.00 C ATOM 203 OE1 GLU A 13 -7.633 2.844 13.492 1.00 0.00 O ATOM 204 OE2 GLU A 13 -7.236 3.323 15.600 1.00 0.00 O ATOM 0 H GLU A 13 -3.647 5.662 12.539 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.931 3.491 14.223 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.245 4.540 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.043 3.101 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.235 1.652 14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.836 2.905 15.171 1.00 0.00 H new ATOM 211 N ARG A 14 -2.259 1.536 12.784 1.00 0.00 N ATOM 212 CA ARG A 14 -1.602 0.495 11.993 1.00 0.00 C ATOM 213 C ARG A 14 -2.515 -0.717 11.799 1.00 0.00 C ATOM 214 O ARG A 14 -3.315 -1.050 12.675 1.00 0.00 O ATOM 215 CB ARG A 14 -0.300 0.049 12.669 1.00 0.00 C ATOM 216 CG ARG A 14 0.587 1.193 13.138 1.00 0.00 C ATOM 217 CD ARG A 14 1.875 0.678 13.765 1.00 0.00 C ATOM 218 NE ARG A 14 1.648 0.088 15.086 1.00 0.00 N ATOM 219 CZ ARG A 14 1.394 -1.209 15.299 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.340 -2.068 14.282 1.00 0.00 N ATOM 221 NH2 ARG A 14 1.193 -1.650 16.539 1.00 0.00 N ATOM 0 H ARG A 14 -2.441 1.275 13.753 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.377 0.920 11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.546 -0.579 13.525 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.264 -0.570 11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.825 1.840 12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.046 1.801 13.863 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.325 -0.067 13.108 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.588 1.498 13.852 1.00 0.00 H new ATOM 0 HE ARG A 14 1.686 0.706 15.897 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.493 -1.740 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.146 -3.054 14.457 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.233 -1.000 17.324 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.999 -2.638 16.704 1.00 0.00 H new ATOM 235 N ARG A 15 -2.382 -1.377 10.645 1.00 0.00 N ATOM 236 CA ARG A 15 -3.186 -2.558 10.332 1.00 0.00 C ATOM 237 C ARG A 15 -2.325 -3.663 9.719 1.00 0.00 C ATOM 238 O ARG A 15 -1.485 -3.401 8.854 1.00 0.00 O ATOM 239 CB ARG A 15 -4.324 -2.189 9.377 1.00 0.00 C ATOM 240 CG ARG A 15 -5.706 -2.501 9.929 1.00 0.00 C ATOM 241 CD ARG A 15 -6.335 -3.695 9.224 1.00 0.00 C ATOM 242 NE ARG A 15 -6.905 -4.658 10.166 1.00 0.00 N ATOM 243 CZ ARG A 15 -7.644 -5.713 9.806 1.00 0.00 C ATOM 244 NH1 ARG A 15 -7.907 -5.949 8.523 1.00 0.00 N ATOM 245 NH2 ARG A 15 -8.121 -6.535 10.733 1.00 0.00 N ATOM 0 H ARG A 15 -1.724 -1.112 9.912 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.610 -2.932 11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.265 -1.125 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.187 -2.725 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.634 -2.705 10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.350 -1.629 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.115 -3.345 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.582 -4.191 8.612 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.728 -4.516 11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.544 -5.323 7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.472 -6.756 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.924 -6.362 11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.685 -7.340 10.460 1.00 0.00 H new ATOM 259 N ILE A 16 -2.542 -4.896 10.174 1.00 0.00 N ATOM 260 CA ILE A 16 -1.795 -6.049 9.677 1.00 0.00 C ATOM 261 C ILE A 16 -2.726 -7.044 8.981 1.00 0.00 C ATOM 262 O ILE A 16 -3.639 -7.588 9.605 1.00 0.00 O ATOM 263 CB ILE A 16 -1.044 -6.774 10.818 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.272 -5.771 11.683 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.099 -7.825 10.249 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.023 -5.332 12.922 1.00 0.00 C ATOM 0 H ILE A 16 -3.233 -5.122 10.890 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.066 -5.670 8.961 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.780 -7.273 11.449 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.676 -6.217 11.983 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.035 -4.893 11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.422 -8.326 11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.670 -8.558 9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.629 -7.344 9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.415 -4.623 13.484 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.959 -4.856 12.630 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.236 -6.201 13.545 1.00 0.00 H new ATOM 278 N ILE A 17 -2.491 -7.273 7.686 1.00 0.00 N ATOM 279 CA ILE A 17 -3.311 -8.202 6.909 1.00 0.00 C ATOM 280 C ILE A 17 -2.446 -9.228 6.177 1.00 0.00 C ATOM 281 O ILE A 17 -1.417 -8.885 5.592 1.00 0.00 O ATOM 282 CB ILE A 17 -4.189 -7.454 5.878 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.971 -6.319 6.550 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.143 -8.421 5.187 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.026 -5.050 5.727 1.00 0.00 C ATOM 0 H ILE A 17 -1.741 -6.828 7.156 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.957 -8.719 7.619 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.532 -7.017 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.988 -6.658 6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.515 -6.097 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.753 -7.877 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.570 -9.191 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.790 -8.887 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.595 -4.292 6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.014 -4.687 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.509 -5.256 4.772 1.00 0.00 H new ATOM 297 N ALA A 18 -2.875 -10.492 6.214 1.00 0.00 N ATOM 298 CA ALA A 18 -2.148 -11.575 5.554 1.00 0.00 C ATOM 299 C ALA A 18 -2.635 -11.775 4.118 1.00 0.00 C ATOM 300 O ALA A 18 -3.826 -11.630 3.833 1.00 0.00 O ATOM 301 CB ALA A 18 -2.293 -12.868 6.345 1.00 0.00 C ATOM 0 H ALA A 18 -3.724 -10.789 6.695 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.094 -11.298 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.747 -13.666 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.889 -12.728 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.347 -13.137 6.412 1.00 0.00 H new ATOM 307 N PHE A 19 -1.706 -12.108 3.221 1.00 0.00 N ATOM 308 CA PHE A 19 -2.036 -12.328 1.813 1.00 0.00 C ATOM 309 C PHE A 19 -1.442 -13.643 1.308 1.00 0.00 C ATOM 310 O PHE A 19 -0.271 -13.940 1.551 1.00 0.00 O ATOM 311 CB PHE A 19 -1.517 -11.167 0.960 1.00 0.00 C ATOM 312 CG PHE A 19 -2.476 -10.013 0.864 1.00 0.00 C ATOM 313 CD1 PHE A 19 -2.644 -9.143 1.930 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.213 -9.804 -0.290 1.00 0.00 C ATOM 315 CE1 PHE A 19 -3.525 -8.083 1.845 1.00 0.00 C ATOM 316 CE2 PHE A 19 -4.098 -8.745 -0.380 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.256 -7.884 0.688 1.00 0.00 C ATOM 0 H PHE A 19 -0.719 -12.231 3.445 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.121 -12.383 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.576 -10.812 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.301 -11.533 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.079 -9.296 2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.095 -10.475 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.643 -7.410 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.666 -8.591 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.948 -7.058 0.620 1.00 0.00 H new ATOM 327 N SER A 20 -2.256 -14.426 0.601 1.00 0.00 N ATOM 328 CA SER A 20 -1.814 -15.709 0.058 1.00 0.00 C ATOM 329 C SER A 20 -1.230 -15.538 -1.344 1.00 0.00 C ATOM 330 O SER A 20 -1.824 -14.878 -2.198 1.00 0.00 O ATOM 331 CB SER A 20 -2.983 -16.698 0.018 1.00 0.00 C ATOM 332 OG SER A 20 -2.553 -18.010 0.335 1.00 0.00 O ATOM 0 H SER A 20 -3.227 -14.193 0.391 1.00 0.00 H new ATOM 0 HA SER A 20 -1.034 -16.102 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.753 -16.384 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.436 -16.690 -0.973 1.00 0.00 H new ATOM 0 HG SER A 20 -3.318 -18.621 0.304 1.00 0.00 H new ATOM 338 N ARG A 21 -0.063 -16.139 -1.575 1.00 0.00 N ATOM 339 CA ARG A 21 0.602 -16.055 -2.876 1.00 0.00 C ATOM 340 C ARG A 21 0.000 -17.052 -3.867 1.00 0.00 C ATOM 341 O ARG A 21 -0.573 -18.066 -3.466 1.00 0.00 O ATOM 342 CB ARG A 21 2.104 -16.313 -2.724 1.00 0.00 C ATOM 343 CG ARG A 21 2.895 -15.077 -2.325 1.00 0.00 C ATOM 344 CD ARG A 21 4.389 -15.289 -2.505 1.00 0.00 C ATOM 345 NE ARG A 21 5.160 -14.144 -2.026 1.00 0.00 N ATOM 346 CZ ARG A 21 6.445 -14.198 -1.670 1.00 0.00 C ATOM 347 NH1 ARG A 21 7.129 -15.335 -1.777 1.00 0.00 N ATOM 348 NH2 ARG A 21 7.052 -13.109 -1.216 1.00 0.00 N ATOM 0 H ARG A 21 0.441 -16.689 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 21 0.450 -15.049 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.257 -17.090 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.496 -16.697 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.572 -14.227 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.684 -14.829 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.697 -16.185 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.608 -15.459 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 21 4.685 -13.244 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.671 -16.174 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.111 -15.367 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.536 -12.232 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.034 -13.149 -0.943 1.00 0.00 H new ATOM 362 N PRO A 22 0.120 -16.776 -5.182 1.00 0.00 N ATOM 363 CA PRO A 22 0.794 -15.580 -5.705 1.00 0.00 C ATOM 364 C PRO A 22 -0.024 -14.309 -5.486 1.00 0.00 C ATOM 365 O PRO A 22 -1.183 -14.227 -5.898 1.00 0.00 O ATOM 366 CB PRO A 22 0.939 -15.863 -7.210 1.00 0.00 C ATOM 367 CG PRO A 22 0.544 -17.292 -7.396 1.00 0.00 C ATOM 368 CD PRO A 22 -0.392 -17.617 -6.270 1.00 0.00 C ATOM 0 HA PRO A 22 1.744 -15.405 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.300 -15.202 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.963 -15.694 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.058 -17.439 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.418 -17.943 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.425 -17.375 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.365 -18.676 -6.012 1.00 0.00 H new ATOM 376 N VAL A 23 0.586 -13.319 -4.834 1.00 0.00 N ATOM 377 CA VAL A 23 -0.086 -12.051 -4.560 1.00 0.00 C ATOM 378 C VAL A 23 -0.233 -11.215 -5.834 1.00 0.00 C ATOM 379 O VAL A 23 0.665 -11.188 -6.679 1.00 0.00 O ATOM 380 CB VAL A 23 0.664 -11.232 -3.483 1.00 0.00 C ATOM 381 CG1 VAL A 23 2.060 -10.858 -3.957 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.128 -9.991 -3.102 1.00 0.00 C ATOM 0 H VAL A 23 1.544 -13.372 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.079 -12.294 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 23 0.767 -11.856 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.566 -10.283 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.628 -11.764 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.988 -10.258 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.418 -9.430 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.271 -9.366 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.099 -10.287 -2.706 1.00 0.00 H new ATOM 392 N LYS A 24 -1.372 -10.537 -5.963 1.00 0.00 N ATOM 393 CA LYS A 24 -1.643 -9.702 -7.130 1.00 0.00 C ATOM 394 C LYS A 24 -1.834 -8.246 -6.724 1.00 0.00 C ATOM 395 O LYS A 24 -2.631 -7.942 -5.834 1.00 0.00 O ATOM 396 CB LYS A 24 -2.891 -10.203 -7.866 1.00 0.00 C ATOM 397 CG LYS A 24 -2.724 -11.581 -8.488 1.00 0.00 C ATOM 398 CD LYS A 24 -1.648 -11.583 -9.564 1.00 0.00 C ATOM 399 CE LYS A 24 -1.404 -12.983 -10.109 1.00 0.00 C ATOM 400 NZ LYS A 24 -1.642 -13.063 -11.578 1.00 0.00 N ATOM 0 H LYS A 24 -2.122 -10.550 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.784 -9.767 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.728 -10.229 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.151 -9.490 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.465 -12.302 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.672 -11.903 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.945 -10.922 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.720 -11.185 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.379 -13.282 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.058 -13.690 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.464 -14.034 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.627 -12.803 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.001 -12.408 -12.070 1.00 0.00 H new ATOM 414 N TYR A 25 -1.102 -7.349 -7.384 1.00 0.00 N ATOM 415 CA TYR A 25 -1.196 -5.917 -7.098 1.00 0.00 C ATOM 416 C TYR A 25 -2.632 -5.422 -7.273 1.00 0.00 C ATOM 417 O TYR A 25 -3.093 -4.563 -6.521 1.00 0.00 O ATOM 418 CB TYR A 25 -0.248 -5.124 -8.008 1.00 0.00 C ATOM 419 CG TYR A 25 -0.315 -3.620 -7.817 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.242 -3.012 -6.697 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.938 -2.811 -8.761 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.181 -1.643 -6.527 1.00 0.00 C ATOM 423 CE2 TYR A 25 -1.003 -1.442 -8.594 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.443 -0.864 -7.478 1.00 0.00 C ATOM 425 OH TYR A 25 -0.505 0.502 -7.314 1.00 0.00 O ATOM 0 H TYR A 25 -0.438 -7.588 -8.120 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.900 -5.758 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.774 -5.457 -7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.480 -5.358 -9.047 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.730 -3.620 -5.949 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.378 -3.261 -9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.620 -1.185 -5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.491 -0.828 -9.336 1.00 0.00 H new ATOM 0 HH TYR A 25 0.340 0.825 -6.938 1.00 0.00 H new ATOM 435 N GLU A 26 -3.335 -5.968 -8.266 1.00 0.00 N ATOM 436 CA GLU A 26 -4.718 -5.576 -8.530 1.00 0.00 C ATOM 437 C GLU A 26 -5.623 -5.925 -7.350 1.00 0.00 C ATOM 438 O GLU A 26 -6.449 -5.115 -6.932 1.00 0.00 O ATOM 439 CB GLU A 26 -5.237 -6.254 -9.803 1.00 0.00 C ATOM 440 CG GLU A 26 -5.404 -5.295 -10.972 1.00 0.00 C ATOM 441 CD GLU A 26 -4.130 -5.123 -11.780 1.00 0.00 C ATOM 442 OE1 GLU A 26 -3.070 -4.861 -11.172 1.00 0.00 O ATOM 443 OE2 GLU A 26 -4.196 -5.247 -13.021 1.00 0.00 O ATOM 0 H GLU A 26 -2.970 -6.680 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.736 -4.495 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.548 -7.048 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.196 -6.726 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.196 -5.661 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.724 -4.323 -10.596 1.00 0.00 H new ATOM 450 N ASP A 27 -5.458 -7.133 -6.814 1.00 0.00 N ATOM 451 CA ASP A 27 -6.262 -7.585 -5.681 1.00 0.00 C ATOM 452 C ASP A 27 -5.907 -6.813 -4.411 1.00 0.00 C ATOM 453 O ASP A 27 -6.793 -6.392 -3.666 1.00 0.00 O ATOM 454 CB ASP A 27 -6.066 -9.086 -5.451 1.00 0.00 C ATOM 455 CG ASP A 27 -6.923 -9.930 -6.373 1.00 0.00 C ATOM 456 OD1 ASP A 27 -8.110 -10.146 -6.049 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.407 -10.377 -7.419 1.00 0.00 O ATOM 0 H ASP A 27 -4.776 -7.815 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.309 -7.394 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.017 -9.340 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.306 -9.326 -4.415 1.00 0.00 H new ATOM 462 N VAL A 28 -4.610 -6.633 -4.167 1.00 0.00 N ATOM 463 CA VAL A 28 -4.150 -5.912 -2.982 1.00 0.00 C ATOM 464 C VAL A 28 -4.546 -4.440 -3.045 1.00 0.00 C ATOM 465 O VAL A 28 -5.070 -3.890 -2.077 1.00 0.00 O ATOM 466 CB VAL A 28 -2.619 -6.014 -2.801 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.190 -5.367 -1.492 1.00 0.00 C ATOM 468 CG2 VAL A 28 -2.161 -7.465 -2.858 1.00 0.00 C ATOM 0 H VAL A 28 -3.862 -6.975 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.635 -6.384 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.144 -5.477 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.109 -5.449 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.476 -4.315 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.678 -5.873 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.080 -7.511 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.646 -8.031 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.429 -7.893 -3.824 1.00 0.00 H new ATOM 478 N GLU A 29 -4.296 -3.808 -4.191 1.00 0.00 N ATOM 479 CA GLU A 29 -4.629 -2.397 -4.377 1.00 0.00 C ATOM 480 C GLU A 29 -6.133 -2.163 -4.238 1.00 0.00 C ATOM 481 O GLU A 29 -6.560 -1.228 -3.562 1.00 0.00 O ATOM 482 CB GLU A 29 -4.142 -1.907 -5.743 1.00 0.00 C ATOM 483 CG GLU A 29 -4.374 -0.422 -5.975 1.00 0.00 C ATOM 484 CD GLU A 29 -4.392 -0.052 -7.446 1.00 0.00 C ATOM 485 OE1 GLU A 29 -5.231 -0.605 -8.189 1.00 0.00 O ATOM 486 OE2 GLU A 29 -3.570 0.795 -7.851 1.00 0.00 O ATOM 0 H GLU A 29 -3.865 -4.250 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.122 -1.828 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.077 -2.119 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.650 -2.472 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.321 -0.132 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.592 0.146 -5.472 1.00 0.00 H new ATOM 493 N HIS A 30 -6.930 -3.020 -4.878 1.00 0.00 N ATOM 494 CA HIS A 30 -8.385 -2.901 -4.814 1.00 0.00 C ATOM 495 C HIS A 30 -8.880 -3.080 -3.378 1.00 0.00 C ATOM 496 O HIS A 30 -9.718 -2.313 -2.904 1.00 0.00 O ATOM 497 CB HIS A 30 -9.050 -3.931 -5.734 1.00 0.00 C ATOM 498 CG HIS A 30 -9.363 -3.401 -7.101 1.00 0.00 C ATOM 499 ND1 HIS A 30 -9.055 -4.084 -8.259 1.00 0.00 N ATOM 500 CD2 HIS A 30 -9.970 -2.254 -7.493 1.00 0.00 C ATOM 501 CE1 HIS A 30 -9.457 -3.382 -9.303 1.00 0.00 C ATOM 502 NE2 HIS A 30 -10.015 -2.269 -8.864 1.00 0.00 N ATOM 0 H HIS A 30 -6.594 -3.800 -5.443 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.658 -1.902 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.394 -4.796 -5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.972 -4.280 -5.269 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.347 -1.475 -6.847 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.348 -3.669 -10.338 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.416 -1.537 -9.451 1.00 0.00 H new ATOM 511 N LYS A 31 -8.352 -4.096 -2.690 1.00 0.00 N ATOM 512 CA LYS A 31 -8.739 -4.373 -1.310 1.00 0.00 C ATOM 513 C LYS A 31 -8.359 -3.220 -0.382 1.00 0.00 C ATOM 514 O LYS A 31 -9.184 -2.754 0.402 1.00 0.00 O ATOM 515 CB LYS A 31 -8.090 -5.670 -0.814 1.00 0.00 C ATOM 516 CG LYS A 31 -8.960 -6.448 0.160 1.00 0.00 C ATOM 517 CD LYS A 31 -8.123 -7.221 1.169 1.00 0.00 C ATOM 518 CE LYS A 31 -8.999 -7.933 2.191 1.00 0.00 C ATOM 519 NZ LYS A 31 -8.855 -9.416 2.123 1.00 0.00 N ATOM 0 H LYS A 31 -7.656 -4.738 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.823 -4.486 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.861 -6.304 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.142 -5.432 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.621 -5.760 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.595 -7.140 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.504 -7.951 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.446 -6.538 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.738 -7.590 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.042 -7.663 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.470 -9.858 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.129 -9.748 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.866 -9.678 2.309 1.00 0.00 H new ATOM 533 N VAL A 32 -7.108 -2.764 -0.473 1.00 0.00 N ATOM 534 CA VAL A 32 -6.636 -1.666 0.373 1.00 0.00 C ATOM 535 C VAL A 32 -7.440 -0.391 0.130 1.00 0.00 C ATOM 536 O VAL A 32 -7.802 0.309 1.078 1.00 0.00 O ATOM 537 CB VAL A 32 -5.137 -1.366 0.155 1.00 0.00 C ATOM 538 CG1 VAL A 32 -4.674 -0.253 1.086 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.299 -2.619 0.359 1.00 0.00 C ATOM 0 H VAL A 32 -6.409 -3.134 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.779 -1.994 1.403 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.003 -1.033 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.615 -0.055 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.248 0.651 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.827 -0.558 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.247 -2.383 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.439 -2.989 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.610 -3.385 -0.352 1.00 0.00 H new ATOM 549 N THR A 33 -7.717 -0.092 -1.140 1.00 0.00 N ATOM 550 CA THR A 33 -8.479 1.101 -1.495 1.00 0.00 C ATOM 551 C THR A 33 -9.889 1.050 -0.901 1.00 0.00 C ATOM 552 O THR A 33 -10.402 2.066 -0.442 1.00 0.00 O ATOM 553 CB THR A 33 -8.545 1.272 -3.017 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.244 1.389 -3.562 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.326 2.493 -3.452 1.00 0.00 C ATOM 0 H THR A 33 -7.425 -0.659 -1.936 1.00 0.00 H new ATOM 0 HA THR A 33 -7.963 1.964 -1.073 1.00 0.00 H new ATOM 0 HB THR A 33 -9.056 0.382 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.796 0.518 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.332 2.552 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.350 2.419 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.859 3.389 -3.043 1.00 0.00 H new ATOM 563 N THR A 34 -10.512 -0.131 -0.912 1.00 0.00 N ATOM 564 CA THR A 34 -11.862 -0.283 -0.360 1.00 0.00 C ATOM 565 C THR A 34 -11.857 -0.211 1.168 1.00 0.00 C ATOM 566 O THR A 34 -12.742 0.400 1.766 1.00 0.00 O ATOM 567 CB THR A 34 -12.505 -1.601 -0.814 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.301 -1.823 -2.198 1.00 0.00 O ATOM 569 CG2 THR A 34 -13.996 -1.650 -0.562 1.00 0.00 C ATOM 0 H THR A 34 -10.110 -0.988 -1.292 1.00 0.00 H new ATOM 0 HA THR A 34 -12.455 0.548 -0.743 1.00 0.00 H new ATOM 0 HB THR A 34 -12.017 -2.374 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.348 -1.973 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.392 -2.606 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.188 -1.539 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.484 -0.840 -1.105 1.00 0.00 H new ATOM 577 N VAL A 35 -10.866 -0.847 1.796 1.00 0.00 N ATOM 578 CA VAL A 35 -10.772 -0.854 3.256 1.00 0.00 C ATOM 579 C VAL A 35 -10.644 0.562 3.817 1.00 0.00 C ATOM 580 O VAL A 35 -11.396 0.952 4.710 1.00 0.00 O ATOM 581 CB VAL A 35 -9.580 -1.700 3.760 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.550 -1.731 5.282 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.636 -3.117 3.202 1.00 0.00 C ATOM 0 H VAL A 35 -10.123 -1.360 1.321 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.698 -1.304 3.613 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.663 -1.231 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.704 -2.331 5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.449 -0.715 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.476 -2.169 5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.785 -3.688 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.562 -3.597 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.601 -3.081 2.113 1.00 0.00 H new ATOM 593 N PHE A 36 -9.678 1.325 3.302 1.00 0.00 N ATOM 594 CA PHE A 36 -9.447 2.691 3.775 1.00 0.00 C ATOM 595 C PHE A 36 -10.290 3.726 3.017 1.00 0.00 C ATOM 596 O PHE A 36 -10.537 4.819 3.534 1.00 0.00 O ATOM 597 CB PHE A 36 -7.961 3.047 3.661 1.00 0.00 C ATOM 598 CG PHE A 36 -7.054 2.159 4.475 1.00 0.00 C ATOM 599 CD1 PHE A 36 -6.969 2.305 5.852 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.282 1.184 3.862 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.132 1.497 6.600 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.445 0.372 4.605 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.371 0.528 5.975 1.00 0.00 C ATOM 0 H PHE A 36 -9.046 1.022 2.561 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.755 2.722 4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.664 2.991 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.820 4.081 3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.564 3.059 6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.335 1.057 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.073 1.623 7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.850 -0.384 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.719 -0.107 6.557 1.00 0.00 H new ATOM 613 N GLY A 37 -10.718 3.395 1.796 1.00 0.00 N ATOM 614 CA GLY A 37 -11.515 4.323 1.008 1.00 0.00 C ATOM 615 C GLY A 37 -10.708 4.981 -0.104 1.00 0.00 C ATOM 616 O GLY A 37 -9.537 4.657 -0.303 1.00 0.00 O ATOM 0 H GLY A 37 -10.527 2.502 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.362 3.792 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.923 5.094 1.662 1.00 0.00 H new ATOM 620 N GLN A 38 -11.335 5.907 -0.827 1.00 0.00 N ATOM 621 CA GLN A 38 -10.664 6.614 -1.922 1.00 0.00 C ATOM 622 C GLN A 38 -10.996 8.106 -1.900 1.00 0.00 C ATOM 623 O GLN A 38 -12.021 8.513 -1.350 1.00 0.00 O ATOM 624 CB GLN A 38 -11.048 6.011 -3.283 1.00 0.00 C ATOM 625 CG GLN A 38 -12.536 5.718 -3.443 1.00 0.00 C ATOM 626 CD GLN A 38 -13.315 6.890 -4.019 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.743 7.923 -4.373 1.00 0.00 O ATOM 628 NE2 GLN A 38 -14.633 6.735 -4.117 1.00 0.00 N ATOM 0 H GLN A 38 -12.304 6.186 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.590 6.496 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.738 6.697 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.490 5.086 -3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.662 4.851 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.955 5.453 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -15.068 5.864 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.208 7.487 -4.496 1.00 0.00 H new ATOM 637 N PRO A 39 -10.127 8.946 -2.499 1.00 0.00 N ATOM 638 CA PRO A 39 -8.899 8.500 -3.161 1.00 0.00 C ATOM 639 C PRO A 39 -7.718 8.358 -2.197 1.00 0.00 C ATOM 640 O PRO A 39 -7.530 9.186 -1.302 1.00 0.00 O ATOM 641 CB PRO A 39 -8.645 9.623 -4.163 1.00 0.00 C ATOM 642 CG PRO A 39 -9.164 10.853 -3.492 1.00 0.00 C ATOM 643 CD PRO A 39 -10.284 10.412 -2.577 1.00 0.00 C ATOM 0 HA PRO A 39 -9.003 7.510 -3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.584 9.715 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.161 9.438 -5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.374 11.347 -2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.526 11.571 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.201 10.875 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.259 10.688 -2.978 1.00 0.00 H new ATOM 651 N LEU A 40 -6.921 7.306 -2.391 1.00 0.00 N ATOM 652 CA LEU A 40 -5.754 7.054 -1.549 1.00 0.00 C ATOM 653 C LEU A 40 -4.558 6.613 -2.391 1.00 0.00 C ATOM 654 O LEU A 40 -4.707 5.829 -3.330 1.00 0.00 O ATOM 655 CB LEU A 40 -6.073 5.987 -0.495 1.00 0.00 C ATOM 656 CG LEU A 40 -6.795 6.501 0.755 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.274 5.340 1.611 1.00 0.00 C ATOM 658 CD2 LEU A 40 -5.882 7.417 1.559 1.00 0.00 C ATOM 0 H LEU A 40 -7.064 6.614 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.497 7.985 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.687 5.214 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.141 5.513 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.666 7.075 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.784 5.725 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.963 4.723 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.419 4.738 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.411 7.773 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.992 6.866 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.588 8.268 0.945 1.00 0.00 H new ATOM 670 N ASP A 41 -3.374 7.122 -2.048 1.00 0.00 N ATOM 671 CA ASP A 41 -2.150 6.784 -2.773 1.00 0.00 C ATOM 672 C ASP A 41 -1.264 5.844 -1.953 1.00 0.00 C ATOM 673 O ASP A 41 -1.088 6.037 -0.749 1.00 0.00 O ATOM 674 CB ASP A 41 -1.373 8.058 -3.126 1.00 0.00 C ATOM 675 CG ASP A 41 -1.705 8.586 -4.511 1.00 0.00 C ATOM 676 OD1 ASP A 41 -2.905 8.659 -4.850 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.762 8.929 -5.255 1.00 0.00 O ATOM 0 H ASP A 41 -3.237 7.770 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.435 6.271 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.592 8.828 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.304 7.854 -3.067 1.00 0.00 H new ATOM 682 N LEU A 42 -0.710 4.827 -2.617 1.00 0.00 N ATOM 683 CA LEU A 42 0.162 3.853 -1.955 1.00 0.00 C ATOM 684 C LEU A 42 1.611 4.341 -1.930 1.00 0.00 C ATOM 685 O LEU A 42 2.282 4.375 -2.964 1.00 0.00 O ATOM 686 CB LEU A 42 0.083 2.494 -2.662 1.00 0.00 C ATOM 687 CG LEU A 42 -1.313 1.867 -2.727 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.308 0.645 -3.637 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.797 1.493 -1.333 1.00 0.00 C ATOM 0 H LEU A 42 -0.850 4.656 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.183 3.741 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.458 2.610 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.751 1.799 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.001 2.603 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.308 0.213 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.006 0.941 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.606 -0.094 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.790 1.049 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.108 0.775 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.840 2.387 -0.711 1.00 0.00 H new ATOM 701 N HIS A 43 2.086 4.716 -0.741 1.00 0.00 N ATOM 702 CA HIS A 43 3.455 5.203 -0.574 1.00 0.00 C ATOM 703 C HIS A 43 4.289 4.216 0.242 1.00 0.00 C ATOM 704 O HIS A 43 3.964 3.925 1.394 1.00 0.00 O ATOM 705 CB HIS A 43 3.448 6.574 0.113 1.00 0.00 C ATOM 706 CG HIS A 43 3.878 7.704 -0.772 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.831 7.571 -1.761 1.00 0.00 N ATOM 708 CD2 HIS A 43 3.480 8.999 -0.809 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.002 8.735 -2.365 1.00 0.00 C ATOM 710 NE2 HIS A 43 4.192 9.617 -1.807 1.00 0.00 N ATOM 0 H HIS A 43 1.541 4.691 0.121 1.00 0.00 H new ATOM 0 HA HIS A 43 3.905 5.300 -1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.443 6.778 0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.105 6.537 0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.740 9.460 -0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.687 8.931 -3.176 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.109 10.598 -2.074 1.00 0.00 H new ATOM 719 N TYR A 44 5.363 3.707 -0.356 1.00 0.00 N ATOM 720 CA TYR A 44 6.239 2.755 0.319 1.00 0.00 C ATOM 721 C TYR A 44 7.553 3.425 0.719 1.00 0.00 C ATOM 722 O TYR A 44 8.201 4.068 -0.104 1.00 0.00 O ATOM 723 CB TYR A 44 6.518 1.557 -0.596 1.00 0.00 C ATOM 724 CG TYR A 44 7.634 0.652 -0.116 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.966 0.988 -0.334 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.358 -0.533 0.552 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.990 0.167 0.100 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.376 -1.359 0.988 1.00 0.00 C ATOM 729 CZ TYR A 44 9.690 -1.004 0.762 1.00 0.00 C ATOM 730 OH TYR A 44 10.706 -1.824 1.196 1.00 0.00 O ATOM 0 H TYR A 44 5.647 3.939 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 44 5.739 2.405 1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.606 0.969 -0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.767 1.925 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.204 1.906 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.331 -0.814 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.019 0.442 -0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.144 -2.279 1.504 1.00 0.00 H new ATOM 0 HH TYR A 44 10.325 -2.608 1.645 1.00 0.00 H new ATOM 740 N MET A 45 7.944 3.259 1.981 1.00 0.00 N ATOM 741 CA MET A 45 9.190 3.839 2.476 1.00 0.00 C ATOM 742 C MET A 45 10.022 2.794 3.217 1.00 0.00 C ATOM 743 O MET A 45 9.562 2.189 4.186 1.00 0.00 O ATOM 744 CB MET A 45 8.912 5.043 3.389 1.00 0.00 C ATOM 745 CG MET A 45 8.042 4.723 4.595 1.00 0.00 C ATOM 746 SD MET A 45 8.991 4.604 6.126 1.00 0.00 S ATOM 747 CE MET A 45 9.649 6.266 6.256 1.00 0.00 C ATOM 0 H MET A 45 7.418 2.730 2.677 1.00 0.00 H new ATOM 0 HA MET A 45 9.760 4.185 1.614 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.862 5.447 3.738 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.428 5.825 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.280 5.495 4.704 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.520 3.782 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.764 6.531 7.307 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.619 6.313 5.762 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.964 6.967 5.778 1.00 0.00 H new ATOM 757 N ASN A 46 11.254 2.593 2.754 1.00 0.00 N ATOM 758 CA ASN A 46 12.162 1.628 3.369 1.00 0.00 C ATOM 759 C ASN A 46 12.790 2.213 4.631 1.00 0.00 C ATOM 760 O ASN A 46 12.919 1.529 5.649 1.00 0.00 O ATOM 761 CB ASN A 46 13.256 1.226 2.375 1.00 0.00 C ATOM 762 CG ASN A 46 14.020 -0.013 2.808 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.641 -0.690 3.764 1.00 0.00 O ATOM 764 ND2 ASN A 46 15.105 -0.313 2.105 1.00 0.00 N ATOM 0 H ASN A 46 11.647 3.087 1.953 1.00 0.00 H new ATOM 0 HA ASN A 46 11.590 0.742 3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.805 1.046 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.954 2.054 2.256 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.661 -1.132 2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.383 0.276 1.320 1.00 0.00 H new ATOM 771 N ASN A 47 13.170 3.488 4.552 1.00 0.00 N ATOM 772 CA ASN A 47 13.775 4.191 5.679 1.00 0.00 C ATOM 773 C ASN A 47 13.884 5.684 5.383 1.00 0.00 C ATOM 774 O ASN A 47 13.208 6.500 6.012 1.00 0.00 O ATOM 775 CB ASN A 47 15.157 3.615 6.008 1.00 0.00 C ATOM 776 CG ASN A 47 15.482 3.718 7.488 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.217 4.742 8.120 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.054 2.661 8.052 1.00 0.00 N ATOM 0 H ASN A 47 13.068 4.057 3.712 1.00 0.00 H new ATOM 0 HA ASN A 47 13.130 4.051 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.196 2.570 5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.916 4.145 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.291 2.678 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.257 1.832 7.493 1.00 0.00 H new ATOM 785 N GLU A 48 14.733 6.032 4.415 1.00 0.00 N ATOM 786 CA GLU A 48 14.928 7.428 4.026 1.00 0.00 C ATOM 787 C GLU A 48 14.377 7.706 2.622 1.00 0.00 C ATOM 788 O GLU A 48 14.043 8.849 2.299 1.00 0.00 O ATOM 789 CB GLU A 48 16.414 7.788 4.080 1.00 0.00 C ATOM 790 CG GLU A 48 16.973 7.870 5.492 1.00 0.00 C ATOM 791 CD GLU A 48 18.489 7.923 5.521 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.128 6.933 5.103 1.00 0.00 O ATOM 793 OE2 GLU A 48 19.039 8.953 5.962 1.00 0.00 O ATOM 0 H GLU A 48 15.296 5.366 3.886 1.00 0.00 H new ATOM 0 HA GLU A 48 14.377 8.048 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.979 7.045 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.565 8.746 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.573 8.756 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.633 7.006 6.063 1.00 0.00 H new ATOM 800 N LEU A 49 14.291 6.665 1.788 1.00 0.00 N ATOM 801 CA LEU A 49 13.790 6.813 0.423 1.00 0.00 C ATOM 802 C LEU A 49 12.377 6.243 0.284 1.00 0.00 C ATOM 803 O LEU A 49 12.072 5.177 0.827 1.00 0.00 O ATOM 804 CB LEU A 49 14.733 6.112 -0.565 1.00 0.00 C ATOM 805 CG LEU A 49 14.973 6.846 -1.891 1.00 0.00 C ATOM 806 CD1 LEU A 49 13.703 6.876 -2.732 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.487 8.258 -1.643 1.00 0.00 C ATOM 0 H LEU A 49 14.562 5.713 2.036 1.00 0.00 H new ATOM 0 HA LEU A 49 13.752 7.878 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.695 5.961 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.329 5.124 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 49 15.735 6.299 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.898 7.401 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.386 5.856 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.915 7.392 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.650 8.759 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.753 8.815 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.427 8.212 -1.093 1.00 0.00 H new ATOM 819 N SER A 50 11.526 6.958 -0.453 1.00 0.00 N ATOM 820 CA SER A 50 10.147 6.526 -0.678 1.00 0.00 C ATOM 821 C SER A 50 9.945 6.098 -2.131 1.00 0.00 C ATOM 822 O SER A 50 10.323 6.818 -3.057 1.00 0.00 O ATOM 823 CB SER A 50 9.167 7.649 -0.324 1.00 0.00 C ATOM 824 OG SER A 50 7.830 7.176 -0.330 1.00 0.00 O ATOM 0 H SER A 50 11.768 7.840 -0.905 1.00 0.00 H new ATOM 0 HA SER A 50 9.952 5.671 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.410 8.052 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.271 8.466 -1.038 1.00 0.00 H new ATOM 0 HG SER A 50 7.829 6.198 -0.264 1.00 0.00 H new ATOM 830 N ILE A 51 9.344 4.924 -2.320 1.00 0.00 N ATOM 831 CA ILE A 51 9.082 4.395 -3.656 1.00 0.00 C ATOM 832 C ILE A 51 7.579 4.334 -3.925 1.00 0.00 C ATOM 833 O ILE A 51 6.808 3.880 -3.078 1.00 0.00 O ATOM 834 CB ILE A 51 9.689 2.984 -3.840 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.167 2.969 -3.427 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.537 2.521 -5.284 1.00 0.00 C ATOM 837 CD1 ILE A 51 11.561 1.744 -2.629 1.00 0.00 C ATOM 0 H ILE A 51 9.029 4.320 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 51 9.555 5.072 -4.367 1.00 0.00 H new ATOM 0 HB ILE A 51 9.146 2.294 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.786 3.024 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.380 3.861 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.970 1.527 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.479 2.488 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.053 3.217 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.619 1.802 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.968 1.698 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.381 0.849 -3.224 1.00 0.00 H new ATOM 849 N LEU A 52 7.172 4.795 -5.105 1.00 0.00 N ATOM 850 CA LEU A 52 5.761 4.798 -5.485 1.00 0.00 C ATOM 851 C LEU A 52 5.346 3.446 -6.064 1.00 0.00 C ATOM 852 O LEU A 52 5.865 3.017 -7.096 1.00 0.00 O ATOM 853 CB LEU A 52 5.482 5.908 -6.507 1.00 0.00 C ATOM 854 CG LEU A 52 4.812 7.165 -5.940 1.00 0.00 C ATOM 855 CD1 LEU A 52 4.749 8.258 -6.997 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.416 6.843 -5.423 1.00 0.00 C ATOM 0 H LEU A 52 7.800 5.172 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 52 5.174 4.985 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.425 6.197 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.848 5.503 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 52 5.412 7.526 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.270 9.143 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.759 8.510 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.172 7.905 -7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.958 7.748 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.806 6.456 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.484 6.094 -4.634 1.00 0.00 H new ATOM 868 N LEU A 53 4.403 2.785 -5.395 1.00 0.00 N ATOM 869 CA LEU A 53 3.906 1.485 -5.845 1.00 0.00 C ATOM 870 C LEU A 53 2.777 1.670 -6.853 1.00 0.00 C ATOM 871 O LEU A 53 1.632 1.933 -6.479 1.00 0.00 O ATOM 872 CB LEU A 53 3.412 0.660 -4.652 1.00 0.00 C ATOM 873 CG LEU A 53 4.502 -0.074 -3.862 1.00 0.00 C ATOM 874 CD1 LEU A 53 5.017 -1.274 -4.644 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.643 0.873 -3.514 1.00 0.00 C ATOM 0 H LEU A 53 3.967 3.128 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 53 4.725 0.951 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.877 1.322 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.692 -0.075 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 53 4.064 -0.437 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.790 -1.781 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.195 -1.964 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.436 -0.938 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.406 0.333 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.079 1.270 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.262 1.695 -2.908 1.00 0.00 H new ATOM 887 N LYS A 54 3.110 1.539 -8.134 1.00 0.00 N ATOM 888 CA LYS A 54 2.129 1.694 -9.206 1.00 0.00 C ATOM 889 C LYS A 54 2.278 0.581 -10.250 1.00 0.00 C ATOM 890 O LYS A 54 1.907 0.754 -11.413 1.00 0.00 O ATOM 891 CB LYS A 54 2.280 3.074 -9.865 1.00 0.00 C ATOM 892 CG LYS A 54 1.122 4.021 -9.580 1.00 0.00 C ATOM 893 CD LYS A 54 1.457 5.452 -9.977 1.00 0.00 C ATOM 894 CE LYS A 54 0.238 6.182 -10.526 1.00 0.00 C ATOM 895 NZ LYS A 54 0.174 7.600 -10.068 1.00 0.00 N ATOM 0 H LYS A 54 4.054 1.325 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 54 1.132 1.618 -8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.206 3.533 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.373 2.943 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.238 3.689 -10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.875 3.986 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.844 5.989 -9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.247 5.446 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.261 6.155 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.667 5.660 -10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.672 8.056 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.125 7.628 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.024 8.107 -10.388 1.00 0.00 H new ATOM 909 N ASN A 55 2.825 -0.564 -9.824 1.00 0.00 N ATOM 910 CA ASN A 55 3.027 -1.709 -10.711 1.00 0.00 C ATOM 911 C ASN A 55 3.517 -2.922 -9.922 1.00 0.00 C ATOM 912 O ASN A 55 4.090 -2.773 -8.839 1.00 0.00 O ATOM 913 CB ASN A 55 4.041 -1.363 -11.812 1.00 0.00 C ATOM 914 CG ASN A 55 3.454 -1.498 -13.206 1.00 0.00 C ATOM 915 OD1 ASN A 55 3.266 -2.606 -13.706 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.160 -0.368 -13.841 1.00 0.00 N ATOM 0 H ASN A 55 3.136 -0.719 -8.865 1.00 0.00 H new ATOM 0 HA ASN A 55 2.070 -1.952 -11.172 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.395 -0.342 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.908 -2.017 -11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.762 -0.399 -14.780 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.332 0.530 -13.390 1.00 0.00 H new ATOM 923 N GLN A 56 3.300 -4.118 -10.470 1.00 0.00 N ATOM 924 CA GLN A 56 3.732 -5.352 -9.816 1.00 0.00 C ATOM 925 C GLN A 56 5.252 -5.367 -9.642 1.00 0.00 C ATOM 926 O GLN A 56 5.766 -5.925 -8.674 1.00 0.00 O ATOM 927 CB GLN A 56 3.284 -6.578 -10.620 1.00 0.00 C ATOM 928 CG GLN A 56 3.437 -7.893 -9.868 1.00 0.00 C ATOM 929 CD GLN A 56 2.118 -8.428 -9.341 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.169 -8.628 -10.098 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.053 -8.662 -8.034 1.00 0.00 N ATOM 0 H GLN A 56 2.828 -4.258 -11.364 1.00 0.00 H new ATOM 0 HA GLN A 56 3.266 -5.392 -8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.240 -6.452 -10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.863 -6.628 -11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.886 -8.634 -10.529 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.125 -7.751 -9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.864 -8.482 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.192 -9.022 -7.622 1.00 0.00 H new ATOM 940 N ASP A 57 5.963 -4.745 -10.587 1.00 0.00 N ATOM 941 CA ASP A 57 7.422 -4.682 -10.537 1.00 0.00 C ATOM 942 C ASP A 57 7.896 -4.048 -9.228 1.00 0.00 C ATOM 943 O ASP A 57 8.809 -4.559 -8.578 1.00 0.00 O ATOM 944 CB ASP A 57 7.967 -3.885 -11.726 1.00 0.00 C ATOM 945 CG ASP A 57 9.161 -4.556 -12.378 1.00 0.00 C ATOM 946 OD1 ASP A 57 10.218 -4.656 -11.720 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.038 -4.978 -13.546 1.00 0.00 O ATOM 0 H ASP A 57 5.550 -4.279 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 57 7.803 -5.702 -10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.177 -3.758 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.253 -2.888 -11.390 1.00 0.00 H new ATOM 952 N ASP A 58 7.266 -2.933 -8.846 1.00 0.00 N ATOM 953 CA ASP A 58 7.620 -2.231 -7.614 1.00 0.00 C ATOM 954 C ASP A 58 7.420 -3.134 -6.398 1.00 0.00 C ATOM 955 O ASP A 58 8.255 -3.164 -5.491 1.00 0.00 O ATOM 956 CB ASP A 58 6.783 -0.955 -7.461 1.00 0.00 C ATOM 957 CG ASP A 58 7.075 0.073 -8.536 1.00 0.00 C ATOM 958 OD1 ASP A 58 6.432 0.011 -9.607 1.00 0.00 O ATOM 959 OD2 ASP A 58 7.940 0.945 -8.307 1.00 0.00 O ATOM 0 H ASP A 58 6.509 -2.499 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 58 8.673 -1.957 -7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.725 -1.215 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.976 -0.515 -6.482 1.00 0.00 H new ATOM 964 N LEU A 59 6.313 -3.873 -6.391 1.00 0.00 N ATOM 965 CA LEU A 59 6.006 -4.785 -5.293 1.00 0.00 C ATOM 966 C LEU A 59 7.011 -5.938 -5.247 1.00 0.00 C ATOM 967 O LEU A 59 7.476 -6.322 -4.172 1.00 0.00 O ATOM 968 CB LEU A 59 4.584 -5.335 -5.444 1.00 0.00 C ATOM 969 CG LEU A 59 3.969 -5.910 -4.166 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.663 -4.798 -3.170 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.709 -6.701 -4.494 1.00 0.00 C ATOM 0 H LEU A 59 5.614 -3.858 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 59 6.076 -4.229 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.940 -4.536 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.592 -6.114 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 59 4.691 -6.586 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.226 -5.227 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.585 -4.275 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.959 -4.095 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.283 -7.104 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.982 -6.045 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.959 -7.521 -5.168 1.00 0.00 H new ATOM 983 N ASP A 60 7.342 -6.480 -6.421 1.00 0.00 N ATOM 984 CA ASP A 60 8.293 -7.590 -6.522 1.00 0.00 C ATOM 985 C ASP A 60 9.678 -7.183 -6.026 1.00 0.00 C ATOM 986 O ASP A 60 10.366 -7.970 -5.373 1.00 0.00 O ATOM 987 CB ASP A 60 8.392 -8.087 -7.968 1.00 0.00 C ATOM 988 CG ASP A 60 8.210 -9.588 -8.077 1.00 0.00 C ATOM 989 OD1 ASP A 60 7.055 -10.036 -8.236 1.00 0.00 O ATOM 990 OD2 ASP A 60 9.223 -10.316 -8.005 1.00 0.00 O ATOM 0 H ASP A 60 6.965 -6.168 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 60 7.921 -8.396 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.636 -7.587 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.363 -7.811 -8.379 1.00 0.00 H new ATOM 995 N LYS A 61 10.084 -5.953 -6.337 1.00 0.00 N ATOM 996 CA LYS A 61 11.390 -5.449 -5.920 1.00 0.00 C ATOM 997 C LYS A 61 11.488 -5.391 -4.397 1.00 0.00 C ATOM 998 O LYS A 61 12.526 -5.722 -3.823 1.00 0.00 O ATOM 999 CB LYS A 61 11.641 -4.056 -6.509 1.00 0.00 C ATOM 1000 CG LYS A 61 13.052 -3.859 -7.043 1.00 0.00 C ATOM 1001 CD LYS A 61 14.029 -3.511 -5.928 1.00 0.00 C ATOM 1002 CE LYS A 61 14.530 -2.077 -6.047 1.00 0.00 C ATOM 1003 NZ LYS A 61 15.984 -1.959 -5.738 1.00 0.00 N ATOM 0 H LYS A 61 9.528 -5.289 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 61 12.150 -6.135 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.930 -3.880 -7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.445 -3.307 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.382 -4.768 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.052 -3.064 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.543 -3.648 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.876 -4.196 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.345 -1.712 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.964 -1.439 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.279 -0.966 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.159 -2.282 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.529 -2.547 -6.401 1.00 0.00 H new ATOM 1017 N ALA A 62 10.399 -4.977 -3.747 1.00 0.00 N ATOM 1018 CA ALA A 62 10.366 -4.887 -2.289 1.00 0.00 C ATOM 1019 C ALA A 62 10.548 -6.262 -1.649 1.00 0.00 C ATOM 1020 O ALA A 62 11.191 -6.389 -0.605 1.00 0.00 O ATOM 1021 CB ALA A 62 9.065 -4.251 -1.820 1.00 0.00 C ATOM 0 H ALA A 62 9.532 -4.700 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 62 11.196 -4.254 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.060 -4.193 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.979 -3.248 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.223 -4.856 -2.155 1.00 0.00 H new ATOM 1027 N ILE A 63 9.984 -7.291 -2.286 1.00 0.00 N ATOM 1028 CA ILE A 63 10.092 -8.660 -1.785 1.00 0.00 C ATOM 1029 C ILE A 63 11.541 -9.140 -1.825 1.00 0.00 C ATOM 1030 O ILE A 63 12.025 -9.747 -0.870 1.00 0.00 O ATOM 1031 CB ILE A 63 9.211 -9.640 -2.593 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.762 -9.148 -2.641 1.00 0.00 C ATOM 1033 CG2 ILE A 63 9.278 -11.038 -1.990 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.010 -9.585 -3.880 1.00 0.00 C ATOM 0 H ILE A 63 9.448 -7.200 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 63 9.739 -8.646 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 63 9.593 -9.684 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.235 -9.513 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.756 -8.059 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.652 -11.715 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.309 -11.392 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.921 -11.008 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.991 -9.199 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.513 -9.198 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.984 -10.674 -3.925 1.00 0.00 H new ATOM 1046 N ASP A 64 12.226 -8.862 -2.935 1.00 0.00 N ATOM 1047 CA ASP A 64 13.622 -9.267 -3.096 1.00 0.00 C ATOM 1048 C ASP A 64 14.483 -8.738 -1.951 1.00 0.00 C ATOM 1049 O ASP A 64 15.291 -9.473 -1.379 1.00 0.00 O ATOM 1050 CB ASP A 64 14.172 -8.763 -4.433 1.00 0.00 C ATOM 1051 CG ASP A 64 15.348 -9.585 -4.920 1.00 0.00 C ATOM 1052 OD1 ASP A 64 16.481 -9.341 -4.451 1.00 0.00 O ATOM 1053 OD2 ASP A 64 15.137 -10.474 -5.771 1.00 0.00 O ATOM 0 H ASP A 64 11.838 -8.360 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 64 13.658 -10.356 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.380 -8.788 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.478 -7.722 -4.328 1.00 0.00 H new ATOM 1058 N ILE A 65 14.300 -7.461 -1.616 1.00 0.00 N ATOM 1059 CA ILE A 65 15.057 -6.834 -0.534 1.00 0.00 C ATOM 1060 C ILE A 65 14.670 -7.441 0.816 1.00 0.00 C ATOM 1061 O ILE A 65 15.530 -7.680 1.665 1.00 0.00 O ATOM 1062 CB ILE A 65 14.837 -5.303 -0.491 1.00 0.00 C ATOM 1063 CG1 ILE A 65 15.072 -4.682 -1.877 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.756 -4.659 0.541 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.258 -3.430 -2.128 1.00 0.00 C ATOM 0 H ILE A 65 13.635 -6.841 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 65 16.112 -7.023 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 65 13.803 -5.115 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.130 -4.444 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.832 -5.420 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.587 -3.582 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.544 -5.074 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.795 -4.859 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.476 -3.048 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.196 -3.665 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.515 -2.674 -1.386 1.00 0.00 H new ATOM 1077 N LEU A 66 13.375 -7.695 1.002 1.00 0.00 N ATOM 1078 CA LEU A 66 12.877 -8.282 2.243 1.00 0.00 C ATOM 1079 C LEU A 66 13.433 -9.692 2.444 1.00 0.00 C ATOM 1080 O LEU A 66 13.858 -10.045 3.544 1.00 0.00 O ATOM 1081 CB LEU A 66 11.345 -8.319 2.238 1.00 0.00 C ATOM 1082 CG LEU A 66 10.689 -8.275 3.624 1.00 0.00 C ATOM 1083 CD1 LEU A 66 10.174 -6.874 3.929 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.562 -9.294 3.709 1.00 0.00 C ATOM 0 H LEU A 66 12.653 -7.503 0.308 1.00 0.00 H new ATOM 0 HA LEU A 66 13.215 -7.658 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.978 -7.476 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.020 -9.226 1.728 1.00 0.00 H new ATOM 0 HG LEU A 66 11.440 -8.530 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.712 -6.863 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.005 -6.169 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.436 -6.587 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.106 -9.251 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.810 -9.069 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.961 -10.293 3.537 1.00 0.00 H new ATOM 1096 N ASP A 67 13.433 -10.494 1.374 1.00 0.00 N ATOM 1097 CA ASP A 67 13.942 -11.868 1.430 1.00 0.00 C ATOM 1098 C ASP A 67 15.396 -11.900 1.905 1.00 0.00 C ATOM 1099 O ASP A 67 15.809 -12.831 2.597 1.00 0.00 O ATOM 1100 CB ASP A 67 13.840 -12.535 0.053 1.00 0.00 C ATOM 1101 CG ASP A 67 12.528 -13.268 -0.151 1.00 0.00 C ATOM 1102 OD1 ASP A 67 12.279 -14.259 0.569 1.00 0.00 O ATOM 1103 OD2 ASP A 67 11.751 -12.857 -1.035 1.00 0.00 O ATOM 0 H ASP A 67 13.085 -10.214 0.457 1.00 0.00 H new ATOM 0 HA ASP A 67 13.329 -12.417 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.951 -11.776 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.665 -13.237 -0.067 1.00 0.00 H new ATOM 1108 N ARG A 68 16.166 -10.882 1.526 1.00 0.00 N ATOM 1109 CA ARG A 68 17.573 -10.792 1.908 1.00 0.00 C ATOM 1110 C ARG A 68 17.730 -10.418 3.383 1.00 0.00 C ATOM 1111 O ARG A 68 18.694 -10.821 4.033 1.00 0.00 O ATOM 1112 CB ARG A 68 18.288 -9.760 1.034 1.00 0.00 C ATOM 1113 CG ARG A 68 19.002 -10.366 -0.165 1.00 0.00 C ATOM 1114 CD ARG A 68 18.712 -9.595 -1.443 1.00 0.00 C ATOM 1115 NE ARG A 68 18.969 -8.160 -1.296 1.00 0.00 N ATOM 1116 CZ ARG A 68 20.187 -7.609 -1.314 1.00 0.00 C ATOM 1117 NH1 ARG A 68 21.271 -8.368 -1.463 1.00 0.00 N ATOM 1118 NH2 ARG A 68 20.322 -6.293 -1.181 1.00 0.00 N ATOM 0 H ARG A 68 15.837 -10.105 0.952 1.00 0.00 H new ATOM 0 HA ARG A 68 18.023 -11.773 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.561 -9.029 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.013 -9.220 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.076 -10.375 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.691 -11.403 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.327 -9.991 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.671 -9.748 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 68 18.167 -7.542 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.176 -9.378 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.196 -7.939 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.497 -5.705 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.251 -5.872 -1.195 1.00 0.00 H new ATOM 1132 N SER A 69 16.781 -9.641 3.902 1.00 0.00 N ATOM 1133 CA SER A 69 16.823 -9.211 5.295 1.00 0.00 C ATOM 1134 C SER A 69 15.968 -10.118 6.185 1.00 0.00 C ATOM 1135 O SER A 69 14.746 -9.983 6.230 1.00 0.00 O ATOM 1136 CB SER A 69 16.340 -7.764 5.407 1.00 0.00 C ATOM 1137 OG SER A 69 16.748 -7.175 6.632 1.00 0.00 O ATOM 0 H SER A 69 15.976 -9.298 3.378 1.00 0.00 H new ATOM 0 HA SER A 69 17.855 -9.278 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.733 -7.182 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.253 -7.735 5.332 1.00 0.00 H new ATOM 0 HG SER A 69 16.349 -7.666 7.380 1.00 0.00 H new ATOM 1143 N SER A 70 16.625 -11.037 6.898 1.00 0.00 N ATOM 1144 CA SER A 70 15.929 -11.963 7.797 1.00 0.00 C ATOM 1145 C SER A 70 15.160 -11.206 8.884 1.00 0.00 C ATOM 1146 O SER A 70 14.054 -11.598 9.255 1.00 0.00 O ATOM 1147 CB SER A 70 16.924 -12.929 8.449 1.00 0.00 C ATOM 1148 OG SER A 70 16.247 -13.967 9.141 1.00 0.00 O ATOM 0 H SER A 70 17.637 -11.160 6.871 1.00 0.00 H new ATOM 0 HA SER A 70 15.216 -12.531 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.572 -13.359 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.565 -12.384 9.141 1.00 0.00 H new ATOM 0 HG SER A 70 16.903 -14.571 9.547 1.00 0.00 H new ATOM 1154 N SER A 71 15.757 -10.122 9.386 1.00 0.00 N ATOM 1155 CA SER A 71 15.128 -9.306 10.429 1.00 0.00 C ATOM 1156 C SER A 71 13.781 -8.754 9.963 1.00 0.00 C ATOM 1157 O SER A 71 12.840 -8.641 10.751 1.00 0.00 O ATOM 1158 CB SER A 71 16.049 -8.151 10.836 1.00 0.00 C ATOM 1159 OG SER A 71 16.421 -7.367 9.712 1.00 0.00 O ATOM 0 H SER A 71 16.674 -9.789 9.088 1.00 0.00 H new ATOM 0 HA SER A 71 14.957 -9.948 11.293 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.545 -7.522 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.943 -8.548 11.317 1.00 0.00 H new ATOM 0 HG SER A 71 17.007 -6.637 10.002 1.00 0.00 H new ATOM 1165 N MET A 72 13.699 -8.410 8.679 1.00 0.00 N ATOM 1166 CA MET A 72 12.472 -7.867 8.103 1.00 0.00 C ATOM 1167 C MET A 72 11.478 -8.981 7.778 1.00 0.00 C ATOM 1168 O MET A 72 11.871 -10.104 7.457 1.00 0.00 O ATOM 1169 CB MET A 72 12.794 -7.070 6.836 1.00 0.00 C ATOM 1170 CG MET A 72 12.220 -5.664 6.837 1.00 0.00 C ATOM 1171 SD MET A 72 13.013 -4.589 5.626 1.00 0.00 S ATOM 1172 CE MET A 72 11.824 -3.253 5.525 1.00 0.00 C ATOM 0 H MET A 72 14.470 -8.498 8.017 1.00 0.00 H new ATOM 0 HA MET A 72 12.016 -7.205 8.839 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.876 -7.011 6.720 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.409 -7.609 5.970 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.151 -5.712 6.629 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.333 -5.230 7.831 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.335 -2.331 5.249 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.073 -3.491 4.772 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.339 -3.124 6.493 1.00 0.00 H new ATOM 1182 N LYS A 73 10.187 -8.654 7.862 1.00 0.00 N ATOM 1183 CA LYS A 73 9.125 -9.619 7.576 1.00 0.00 C ATOM 1184 C LYS A 73 7.938 -8.945 6.889 1.00 0.00 C ATOM 1185 O LYS A 73 7.424 -9.447 5.888 1.00 0.00 O ATOM 1186 CB LYS A 73 8.665 -10.304 8.866 1.00 0.00 C ATOM 1187 CG LYS A 73 9.434 -11.573 9.187 1.00 0.00 C ATOM 1188 CD LYS A 73 9.272 -11.971 10.645 1.00 0.00 C ATOM 1189 CE LYS A 73 9.871 -13.343 10.921 1.00 0.00 C ATOM 1190 NZ LYS A 73 11.334 -13.274 11.202 1.00 0.00 N ATOM 0 H LYS A 73 9.852 -7.727 8.126 1.00 0.00 H new ATOM 0 HA LYS A 73 9.530 -10.371 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.770 -9.605 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.605 -10.543 8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.084 -12.383 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.491 -11.425 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.754 -11.228 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.214 -11.976 10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.361 -13.796 11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.698 -13.992 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.698 -14.231 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.826 -12.866 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.499 -12.676 12.037 1.00 0.00 H new ATOM 1204 N SER A 74 7.503 -7.806 7.433 1.00 0.00 N ATOM 1205 CA SER A 74 6.377 -7.068 6.867 1.00 0.00 C ATOM 1206 C SER A 74 6.863 -5.866 6.057 1.00 0.00 C ATOM 1207 O SER A 74 8.036 -5.493 6.127 1.00 0.00 O ATOM 1208 CB SER A 74 5.429 -6.608 7.979 1.00 0.00 C ATOM 1209 OG SER A 74 6.059 -5.674 8.839 1.00 0.00 O ATOM 0 H SER A 74 7.914 -7.378 8.263 1.00 0.00 H new ATOM 0 HA SER A 74 5.837 -7.736 6.196 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.540 -6.157 7.538 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.097 -7.471 8.556 1.00 0.00 H new ATOM 0 HG SER A 74 6.214 -6.088 9.714 1.00 0.00 H new ATOM 1215 N LEU A 75 5.955 -5.265 5.285 1.00 0.00 N ATOM 1216 CA LEU A 75 6.295 -4.107 4.459 1.00 0.00 C ATOM 1217 C LEU A 75 5.747 -2.818 5.069 1.00 0.00 C ATOM 1218 O LEU A 75 4.571 -2.744 5.430 1.00 0.00 O ATOM 1219 CB LEU A 75 5.751 -4.287 3.038 1.00 0.00 C ATOM 1220 CG LEU A 75 6.414 -5.404 2.225 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.386 -6.106 1.349 1.00 0.00 C ATOM 1222 CD2 LEU A 75 7.551 -4.849 1.379 1.00 0.00 C ATOM 0 H LEU A 75 4.981 -5.561 5.215 1.00 0.00 H new ATOM 0 HA LEU A 75 7.382 -4.032 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.681 -4.488 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.869 -3.347 2.499 1.00 0.00 H new ATOM 0 HG LEU A 75 6.831 -6.134 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.873 -6.896 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.608 -6.539 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.940 -5.386 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.009 -5.658 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.161 -4.097 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.299 -4.394 2.028 1.00 0.00 H new ATOM 1234 N ARG A 76 6.607 -1.806 5.179 1.00 0.00 N ATOM 1235 CA ARG A 76 6.211 -0.518 5.746 1.00 0.00 C ATOM 1236 C ARG A 76 5.607 0.388 4.674 1.00 0.00 C ATOM 1237 O ARG A 76 6.284 1.266 4.132 1.00 0.00 O ATOM 1238 CB ARG A 76 7.411 0.170 6.400 1.00 0.00 C ATOM 1239 CG ARG A 76 7.765 -0.387 7.770 1.00 0.00 C ATOM 1240 CD ARG A 76 7.843 0.716 8.815 1.00 0.00 C ATOM 1241 NE ARG A 76 7.204 0.325 10.072 1.00 0.00 N ATOM 1242 CZ ARG A 76 5.886 0.370 10.285 1.00 0.00 C ATOM 1243 NH1 ARG A 76 5.058 0.765 9.322 1.00 0.00 N ATOM 1244 NH2 ARG A 76 5.396 0.010 11.466 1.00 0.00 N ATOM 0 H ARG A 76 7.582 -1.853 4.883 1.00 0.00 H new ATOM 0 HA ARG A 76 5.453 -0.704 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.276 0.073 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.200 1.235 6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.018 -1.122 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.721 -0.908 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.887 0.966 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.364 1.616 8.429 1.00 0.00 H new ATOM 0 HE ARG A 76 7.801 -0.002 10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.428 1.037 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.053 0.796 9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.026 -0.299 12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.390 0.043 11.632 1.00 0.00 H new ATOM 1258 N ILE A 77 4.328 0.170 4.377 1.00 0.00 N ATOM 1259 CA ILE A 77 3.628 0.966 3.375 1.00 0.00 C ATOM 1260 C ILE A 77 2.725 1.999 4.042 1.00 0.00 C ATOM 1261 O ILE A 77 1.777 1.648 4.749 1.00 0.00 O ATOM 1262 CB ILE A 77 2.779 0.079 2.436 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.610 -1.100 1.916 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.234 0.904 1.276 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.848 -2.017 0.982 1.00 0.00 C ATOM 0 H ILE A 77 3.756 -0.551 4.817 1.00 0.00 H new ATOM 0 HA ILE A 77 4.388 1.474 2.781 1.00 0.00 H new ATOM 0 HB ILE A 77 1.936 -0.319 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.487 -0.714 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.972 -1.680 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.638 0.265 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.610 1.709 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.063 1.328 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.500 -2.827 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.986 -2.433 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.509 -1.452 0.114 1.00 0.00 H new ATOM 1277 N LEU A 78 3.027 3.274 3.810 1.00 0.00 N ATOM 1278 CA LEU A 78 2.248 4.365 4.381 1.00 0.00 C ATOM 1279 C LEU A 78 1.306 4.956 3.337 1.00 0.00 C ATOM 1280 O LEU A 78 1.750 5.497 2.323 1.00 0.00 O ATOM 1281 CB LEU A 78 3.178 5.456 4.925 1.00 0.00 C ATOM 1282 CG LEU A 78 4.244 4.977 5.916 1.00 0.00 C ATOM 1283 CD1 LEU A 78 5.223 6.102 6.229 1.00 0.00 C ATOM 1284 CD2 LEU A 78 3.597 4.465 7.197 1.00 0.00 C ATOM 0 H LEU A 78 3.809 3.576 3.228 1.00 0.00 H new ATOM 0 HA LEU A 78 1.652 3.966 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.678 5.936 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.570 6.218 5.412 1.00 0.00 H new ATOM 0 HG LEU A 78 4.793 4.155 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.974 5.745 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.713 6.424 5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.684 6.942 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.371 4.130 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.021 5.267 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.935 3.632 6.962 1.00 0.00 H new ATOM 1296 N LEU A 79 0.003 4.855 3.592 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.999 5.388 2.672 1.00 0.00 C ATOM 1298 C LEU A 79 -1.550 6.717 3.178 1.00 0.00 C ATOM 1299 O LEU A 79 -1.916 6.845 4.348 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.138 4.381 2.469 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.898 3.979 3.738 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.257 4.664 3.788 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.057 2.468 3.804 1.00 0.00 C ATOM 0 H LEU A 79 -0.383 4.411 4.425 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.515 5.562 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.849 4.802 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.727 3.481 2.012 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.321 4.303 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.781 4.366 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.120 5.745 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.844 4.372 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.599 2.198 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.613 2.122 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.073 1.999 3.816 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.599 7.708 2.290 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.095 9.035 2.645 1.00 0.00 C ATOM 1317 C LEU A 80 -3.150 9.510 1.649 1.00 0.00 C ATOM 1318 O LEU A 80 -3.168 9.078 0.495 1.00 0.00 O ATOM 1319 CB LEU A 80 -0.937 10.036 2.696 1.00 0.00 C ATOM 1320 CG LEU A 80 0.225 9.639 3.614 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.270 8.844 2.843 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.852 10.872 4.249 1.00 0.00 C ATOM 0 H LEU A 80 -1.301 7.616 1.319 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.557 8.971 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.551 10.174 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.325 11.001 3.023 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.169 9.006 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.086 8.572 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.814 7.940 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.658 9.451 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.675 10.569 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.229 11.532 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.102 11.399 4.838 1.00 0.00 H new ATOM 1334 N SER A 81 -4.021 10.409 2.105 1.00 0.00 N ATOM 1335 CA SER A 81 -5.082 10.954 1.263 1.00 0.00 C ATOM 1336 C SER A 81 -4.500 11.787 0.124 1.00 0.00 C ATOM 1337 O SER A 81 -3.471 12.446 0.285 1.00 0.00 O ATOM 1338 CB SER A 81 -6.041 11.807 2.098 1.00 0.00 C ATOM 1339 OG SER A 81 -5.380 12.385 3.212 1.00 0.00 O ATOM 0 H SER A 81 -4.011 10.776 3.057 1.00 0.00 H new ATOM 0 HA SER A 81 -5.634 10.118 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.466 12.595 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.871 11.191 2.444 1.00 0.00 H new ATOM 0 HG SER A 81 -6.016 12.925 3.726 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.168 11.758 -1.029 1.00 0.00 N ATOM 1346 CA GLN A 82 -4.718 12.515 -2.197 1.00 0.00 C ATOM 1347 C GLN A 82 -5.168 13.976 -2.144 1.00 0.00 C ATOM 1348 O GLN A 82 -4.953 14.736 -3.090 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.209 11.858 -3.491 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.084 11.452 -4.430 1.00 0.00 C ATOM 1351 CD GLN A 82 -3.638 12.585 -5.336 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -4.158 12.756 -6.438 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.667 13.367 -4.875 1.00 0.00 N ATOM 0 H GLN A 82 -6.021 11.220 -1.179 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.628 12.505 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.798 10.976 -3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.874 12.549 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.233 11.106 -3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.412 10.611 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.263 13.190 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.326 14.144 -5.441 1.00 0.00 H new