USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 145 SER OG : rot -85:sc= 0.00142 USER MOD Set 1.2: A 146 ASN :FLIP amide:sc= -0.0555 F(o=-0.61,f=-0.054) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.298 F(o=-1.1,f=-0.3) USER MOD Single : A 98 SER OG : rot -170:sc= -0.509 USER MOD Single : A 100 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.3!) USER MOD Single : A 101 ASN : amide:sc= -1.55 K(o=-1.5,f=-4.5!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -9.81! C(o=-9.8!,f=-19!) USER MOD Single : A 128 ASN : amide:sc= -0.735 K(o=-0.73,f=-1.2!) USER MOD Single : A 130 GLN : amide:sc= -0.729 K(o=-0.73,f=-2!) USER MOD Single : A 131 SER OG : rot 180:sc= -0.165 USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 137 HIS :FLIP no HD1:sc= -0.834 F(o=-1.4,f=-0.83) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 HIS :FLIP no HD1:sc= -0.169 F(o=-0.93,f=-0.17) USER MOD Single : A 152 HIS :FLIP no HD1:sc= -2.52 F(o=-4.8!,f=-2.5) USER MOD Single : A 153 MET CE :methyl -168:sc= -3.67 (180deg=-3.8) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 THR OG1 : rot 2:sc= 0.922 USER MOD Single : A 156 MET CE :methyl -173:sc= -6.59! (180deg=-7.05!) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 81 -5.977 -7.371 -11.485 1.00 0.00 N ATOM 32 CA VAL A 81 -4.795 -6.882 -10.786 1.00 0.00 C ATOM 33 C VAL A 81 -4.867 -5.373 -10.577 1.00 0.00 C ATOM 34 O VAL A 81 -4.973 -4.609 -11.536 1.00 0.00 O ATOM 35 CB VAL A 81 -3.504 -7.221 -11.558 1.00 0.00 C ATOM 36 CG1 VAL A 81 -2.276 -6.826 -10.749 1.00 0.00 C ATOM 37 CG2 VAL A 81 -3.466 -8.699 -11.912 1.00 0.00 C ATOM 0 HA VAL A 81 -4.771 -7.381 -9.817 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.497 -6.649 -12.486 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.375 -7.073 -11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.299 -5.754 -10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.274 -7.368 -9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.548 -8.919 -12.456 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.498 -9.293 -10.999 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.325 -8.946 -12.535 1.00 0.00 H new ATOM 47 N THR A 82 -4.807 -4.950 -9.319 1.00 0.00 N ATOM 48 CA THR A 82 -4.864 -3.531 -8.991 1.00 0.00 C ATOM 49 C THR A 82 -3.468 -2.973 -8.753 1.00 0.00 C ATOM 50 O THR A 82 -2.633 -3.613 -8.114 1.00 0.00 O ATOM 51 CB THR A 82 -5.739 -3.297 -7.756 1.00 0.00 C ATOM 52 OG1 THR A 82 -7.111 -3.337 -8.100 1.00 0.00 O ATOM 53 CG2 THR A 82 -5.477 -1.970 -7.062 1.00 0.00 C ATOM 0 H THR A 82 -4.719 -5.568 -8.512 1.00 0.00 H new ATOM 0 HA THR A 82 -5.307 -3.009 -9.839 1.00 0.00 H new ATOM 0 HB THR A 82 -5.477 -4.100 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.654 -3.187 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.134 -1.876 -6.197 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.438 -1.929 -6.735 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.671 -1.152 -7.756 1.00 0.00 H new ATOM 61 N THR A 83 -3.228 -1.769 -9.253 1.00 0.00 N ATOM 62 CA THR A 83 -1.939 -1.117 -9.075 1.00 0.00 C ATOM 63 C THR A 83 -2.078 0.053 -8.111 1.00 0.00 C ATOM 64 O THR A 83 -2.721 1.055 -8.424 1.00 0.00 O ATOM 65 CB THR A 83 -1.397 -0.629 -10.419 1.00 0.00 C ATOM 66 OG1 THR A 83 -1.510 -1.643 -11.404 1.00 0.00 O ATOM 67 CG2 THR A 83 0.055 -0.205 -10.361 1.00 0.00 C ATOM 0 H THR A 83 -3.908 -1.225 -9.784 1.00 0.00 H new ATOM 0 HA THR A 83 -1.236 -1.839 -8.660 1.00 0.00 H new ATOM 0 HB THR A 83 -2.002 0.240 -10.676 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.160 -1.311 -12.257 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.376 0.130 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.168 0.610 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.668 -1.050 -10.047 1.00 0.00 H new ATOM 75 N VAL A 84 -1.483 -0.084 -6.932 1.00 0.00 N ATOM 76 CA VAL A 84 -1.549 0.950 -5.923 1.00 0.00 C ATOM 77 C VAL A 84 -0.522 2.047 -6.179 1.00 0.00 C ATOM 78 O VAL A 84 0.675 1.860 -5.950 1.00 0.00 O ATOM 79 CB VAL A 84 -1.305 0.363 -4.521 1.00 0.00 C ATOM 80 CG1 VAL A 84 -1.367 1.454 -3.463 1.00 0.00 C ATOM 81 CG2 VAL A 84 -2.304 -0.744 -4.225 1.00 0.00 C ATOM 0 H VAL A 84 -0.948 -0.908 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.550 1.379 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.305 -0.070 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.192 1.018 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.603 2.204 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.351 1.923 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.116 -1.147 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.316 -0.342 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.197 -1.538 -4.964 1.00 0.00 H new ATOM 91 N LEU A 85 -1.001 3.197 -6.635 1.00 0.00 N ATOM 92 CA LEU A 85 -0.137 4.336 -6.899 1.00 0.00 C ATOM 93 C LEU A 85 -0.309 5.374 -5.797 1.00 0.00 C ATOM 94 O LEU A 85 -1.130 6.286 -5.910 1.00 0.00 O ATOM 95 CB LEU A 85 -0.459 4.955 -8.261 1.00 0.00 C ATOM 96 CG LEU A 85 0.361 6.196 -8.616 1.00 0.00 C ATOM 97 CD1 LEU A 85 1.758 5.802 -9.071 1.00 0.00 C ATOM 98 CD2 LEU A 85 -0.342 7.009 -9.691 1.00 0.00 C ATOM 0 H LEU A 85 -1.988 3.364 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 85 0.898 3.995 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.302 4.201 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.517 5.218 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 85 0.454 6.814 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.326 6.698 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.263 5.263 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.687 5.162 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.256 7.888 -9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.466 6.399 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.320 7.323 -9.328 1.00 0.00 H new ATOM 110 N ILE A 86 0.457 5.220 -4.721 1.00 0.00 N ATOM 111 CA ILE A 86 0.373 6.134 -3.591 1.00 0.00 C ATOM 112 C ILE A 86 1.177 7.401 -3.846 1.00 0.00 C ATOM 113 O ILE A 86 2.211 7.373 -4.513 1.00 0.00 O ATOM 114 CB ILE A 86 0.870 5.465 -2.292 1.00 0.00 C ATOM 115 CG1 ILE A 86 0.130 4.145 -2.058 1.00 0.00 C ATOM 116 CG2 ILE A 86 0.678 6.400 -1.108 1.00 0.00 C ATOM 117 CD1 ILE A 86 1.046 2.984 -1.736 1.00 0.00 C ATOM 0 H ILE A 86 1.141 4.472 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.678 6.399 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 86 1.934 5.252 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.578 4.276 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.452 3.902 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.033 5.914 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.243 7.317 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.380 6.640 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.452 2.083 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.738 2.826 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.609 3.205 -0.829 1.00 0.00 H new ATOM 129 N ARG A 87 0.686 8.513 -3.310 1.00 0.00 N ATOM 130 CA ARG A 87 1.344 9.803 -3.478 1.00 0.00 C ATOM 131 C ARG A 87 1.829 10.334 -2.133 1.00 0.00 C ATOM 132 O ARG A 87 1.031 10.738 -1.289 1.00 0.00 O ATOM 133 CB ARG A 87 0.398 10.828 -4.133 1.00 0.00 C ATOM 134 CG ARG A 87 -0.893 10.242 -4.705 1.00 0.00 C ATOM 135 CD ARG A 87 -0.845 10.156 -6.223 1.00 0.00 C ATOM 136 NE ARG A 87 -1.897 10.953 -6.851 1.00 0.00 N ATOM 137 CZ ARG A 87 -1.805 12.264 -7.070 1.00 0.00 C ATOM 138 NH1 ARG A 87 -0.712 12.930 -6.718 1.00 0.00 N ATOM 139 NH2 ARG A 87 -2.810 12.912 -7.643 1.00 0.00 N ATOM 0 H ARG A 87 -0.168 8.546 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 87 2.202 9.656 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.139 11.585 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.935 11.336 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.058 9.248 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.739 10.859 -4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.128 10.499 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.947 9.115 -6.530 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.752 10.477 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.065 12.438 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.649 13.934 -6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.653 12.407 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.740 13.916 -7.811 1.00 0.00 H new ATOM 153 N ARG A 88 3.145 10.331 -1.940 1.00 0.00 N ATOM 154 CA ARG A 88 3.735 10.813 -0.697 1.00 0.00 C ATOM 155 C ARG A 88 4.352 12.198 -0.889 1.00 0.00 C ATOM 156 O ARG A 88 5.389 12.336 -1.538 1.00 0.00 O ATOM 157 CB ARG A 88 4.798 9.833 -0.199 1.00 0.00 C ATOM 158 CG ARG A 88 5.134 9.997 1.274 1.00 0.00 C ATOM 159 CD ARG A 88 5.969 8.836 1.787 1.00 0.00 C ATOM 160 NE ARG A 88 6.138 8.882 3.237 1.00 0.00 N ATOM 161 CZ ARG A 88 7.005 8.127 3.908 1.00 0.00 C ATOM 162 NH1 ARG A 88 7.784 7.268 3.263 1.00 0.00 N ATOM 163 NH2 ARG A 88 7.094 8.233 5.226 1.00 0.00 N ATOM 0 H ARG A 88 3.822 10.000 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 88 2.943 10.887 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.451 8.814 -0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.706 9.965 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.677 10.931 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.213 10.068 1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.493 7.896 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.948 8.853 1.307 1.00 0.00 H new ATOM 0 HE ARG A 88 5.557 9.531 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.720 7.184 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.447 6.692 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.498 8.893 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.758 7.655 5.740 1.00 0.00 H new ATOM 177 N PRO A 89 3.723 13.248 -0.326 1.00 0.00 N ATOM 178 CA PRO A 89 4.225 14.621 -0.447 1.00 0.00 C ATOM 179 C PRO A 89 5.529 14.832 0.314 1.00 0.00 C ATOM 180 O PRO A 89 6.338 15.688 -0.047 1.00 0.00 O ATOM 181 CB PRO A 89 3.106 15.468 0.165 1.00 0.00 C ATOM 182 CG PRO A 89 2.396 14.545 1.093 1.00 0.00 C ATOM 183 CD PRO A 89 2.481 13.182 0.466 1.00 0.00 C ATOM 0 HA PRO A 89 4.454 14.878 -1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.508 16.331 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.434 15.851 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.860 14.550 2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.358 14.849 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.526 12.395 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.615 12.974 -0.162 1.00 0.00 H new ATOM 191 N ASP A 90 5.729 14.049 1.368 1.00 0.00 N ATOM 192 CA ASP A 90 6.938 14.154 2.178 1.00 0.00 C ATOM 193 C ASP A 90 7.098 12.935 3.082 1.00 0.00 C ATOM 194 O ASP A 90 6.180 12.127 3.222 1.00 0.00 O ATOM 195 CB ASP A 90 6.902 15.431 3.021 1.00 0.00 C ATOM 196 CG ASP A 90 7.695 16.560 2.391 1.00 0.00 C ATOM 197 OD1 ASP A 90 8.916 16.387 2.190 1.00 0.00 O ATOM 198 OD2 ASP A 90 7.096 17.616 2.099 1.00 0.00 O ATOM 0 H ASP A 90 5.071 13.335 1.682 1.00 0.00 H new ATOM 0 HA ASP A 90 7.794 14.196 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.867 15.747 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.301 15.220 4.013 1.00 0.00 H new ATOM 203 N LEU A 91 8.271 12.812 3.695 1.00 0.00 N ATOM 204 CA LEU A 91 8.556 11.695 4.586 1.00 0.00 C ATOM 205 C LEU A 91 7.694 11.762 5.842 1.00 0.00 C ATOM 206 O LEU A 91 7.252 10.735 6.360 1.00 0.00 O ATOM 207 CB LEU A 91 10.035 11.693 4.974 1.00 0.00 C ATOM 208 CG LEU A 91 10.957 10.935 4.014 1.00 0.00 C ATOM 209 CD1 LEU A 91 11.888 11.898 3.293 1.00 0.00 C ATOM 210 CD2 LEU A 91 11.757 9.877 4.761 1.00 0.00 C ATOM 0 H LEU A 91 9.040 13.474 3.590 1.00 0.00 H new ATOM 0 HA LEU A 91 8.321 10.773 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.378 12.725 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.133 11.257 5.968 1.00 0.00 H new ATOM 0 HG LEU A 91 10.338 10.434 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.535 11.340 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.298 12.616 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.499 12.429 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.406 9.350 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.365 10.355 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.074 9.167 5.228 1.00 0.00 H new ATOM 222 N ARG A 92 7.461 12.976 6.326 1.00 0.00 N ATOM 223 CA ARG A 92 6.656 13.181 7.525 1.00 0.00 C ATOM 224 C ARG A 92 5.204 12.757 7.304 1.00 0.00 C ATOM 225 O ARG A 92 4.442 12.610 8.259 1.00 0.00 O ATOM 226 CB ARG A 92 6.718 14.648 7.955 1.00 0.00 C ATOM 227 CG ARG A 92 7.381 14.858 9.308 1.00 0.00 C ATOM 228 CD ARG A 92 6.609 15.854 10.162 1.00 0.00 C ATOM 229 NE ARG A 92 6.033 15.226 11.348 1.00 0.00 N ATOM 230 CZ ARG A 92 5.203 15.844 12.185 1.00 0.00 C ATOM 231 NH1 ARG A 92 4.847 17.103 11.969 1.00 0.00 N ATOM 232 NH2 ARG A 92 4.724 15.197 13.241 1.00 0.00 N ATOM 0 H ARG A 92 7.818 13.834 5.907 1.00 0.00 H new ATOM 0 HA ARG A 92 7.069 12.556 8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.262 15.216 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.706 15.051 7.989 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.449 13.905 9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.400 15.216 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.274 16.662 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.814 16.302 9.567 1.00 0.00 H new ATOM 0 HE ARG A 92 6.281 14.257 11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.210 17.603 11.158 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.211 17.571 12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.992 14.228 13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.088 15.670 13.883 1.00 0.00 H new ATOM 246 N TYR A 93 4.831 12.562 6.046 1.00 0.00 N ATOM 247 CA TYR A 93 3.472 12.153 5.707 1.00 0.00 C ATOM 248 C TYR A 93 3.404 10.651 5.451 1.00 0.00 C ATOM 249 O TYR A 93 3.974 10.150 4.483 1.00 0.00 O ATOM 250 CB TYR A 93 2.981 12.915 4.474 1.00 0.00 C ATOM 251 CG TYR A 93 2.865 14.408 4.690 1.00 0.00 C ATOM 252 CD1 TYR A 93 3.998 15.213 4.727 1.00 0.00 C ATOM 253 CD2 TYR A 93 1.625 15.011 4.857 1.00 0.00 C ATOM 254 CE1 TYR A 93 3.896 16.577 4.925 1.00 0.00 C ATOM 255 CE2 TYR A 93 1.516 16.374 5.054 1.00 0.00 C ATOM 256 CZ TYR A 93 2.654 17.152 5.086 1.00 0.00 C ATOM 257 OH TYR A 93 2.547 18.509 5.283 1.00 0.00 O ATOM 0 H TYR A 93 5.449 12.680 5.243 1.00 0.00 H new ATOM 0 HA TYR A 93 2.826 12.389 6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.665 12.728 3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.008 12.523 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.973 14.766 4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.732 14.405 4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.785 17.189 4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.544 16.828 5.182 1.00 0.00 H new ATOM 0 HH TYR A 93 1.602 18.752 5.377 1.00 0.00 H new ATOM 267 N GLN A 94 2.705 9.936 6.329 1.00 0.00 N ATOM 268 CA GLN A 94 2.564 8.491 6.199 1.00 0.00 C ATOM 269 C GLN A 94 1.602 8.135 5.071 1.00 0.00 C ATOM 270 O GLN A 94 0.864 8.990 4.578 1.00 0.00 O ATOM 271 CB GLN A 94 2.071 7.886 7.515 1.00 0.00 C ATOM 272 CG GLN A 94 3.185 7.595 8.507 1.00 0.00 C ATOM 273 CD GLN A 94 3.830 8.859 9.043 1.00 0.00 C ATOM 274 OE1 GLN A 94 4.709 9.457 8.250 1.00 0.00 O flip ATOM 275 NE2 GLN A 94 3.539 9.292 10.158 1.00 0.00 N flip ATOM 0 H GLN A 94 2.228 10.335 7.138 1.00 0.00 H new ATOM 0 HA GLN A 94 3.543 8.077 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.357 8.569 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.535 6.961 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.785 7.015 9.338 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.945 6.979 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.857 8.799 10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.980 10.144 10.505 1.00 0.00 H new ATOM 284 N LEU A 95 1.613 6.868 4.667 1.00 0.00 N ATOM 285 CA LEU A 95 0.741 6.400 3.598 1.00 0.00 C ATOM 286 C LEU A 95 -0.685 6.204 4.107 1.00 0.00 C ATOM 287 O LEU A 95 -1.596 6.933 3.717 1.00 0.00 O ATOM 288 CB LEU A 95 1.274 5.091 3.012 1.00 0.00 C ATOM 289 CG LEU A 95 2.761 5.104 2.644 1.00 0.00 C ATOM 290 CD1 LEU A 95 3.236 3.703 2.290 1.00 0.00 C ATOM 291 CD2 LEU A 95 3.015 6.063 1.491 1.00 0.00 C ATOM 0 H LEU A 95 2.217 6.148 5.065 1.00 0.00 H new ATOM 0 HA LEU A 95 0.726 7.158 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.100 4.291 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.697 4.848 2.120 1.00 0.00 H new ATOM 0 HG LEU A 95 3.327 5.449 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.294 3.732 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.089 3.042 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.665 3.329 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.076 6.060 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.438 5.748 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.713 7.069 1.782 1.00 0.00 H new ATOM 303 N GLY A 96 -0.870 5.221 4.984 1.00 0.00 N ATOM 304 CA GLY A 96 -2.188 4.960 5.533 1.00 0.00 C ATOM 305 C GLY A 96 -2.564 3.491 5.496 1.00 0.00 C ATOM 306 O GLY A 96 -3.708 3.145 5.199 1.00 0.00 O ATOM 0 H GLY A 96 -0.133 4.603 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.223 5.313 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.928 5.533 4.975 1.00 0.00 H new ATOM 310 N PHE A 97 -1.604 2.623 5.803 1.00 0.00 N ATOM 311 CA PHE A 97 -1.850 1.184 5.808 1.00 0.00 C ATOM 312 C PHE A 97 -0.609 0.419 6.263 1.00 0.00 C ATOM 313 O PHE A 97 0.505 0.938 6.211 1.00 0.00 O ATOM 314 CB PHE A 97 -2.279 0.711 4.417 1.00 0.00 C ATOM 315 CG PHE A 97 -1.198 0.817 3.379 1.00 0.00 C ATOM 316 CD1 PHE A 97 -0.914 2.032 2.777 1.00 0.00 C ATOM 317 CD2 PHE A 97 -0.468 -0.299 3.005 1.00 0.00 C ATOM 318 CE1 PHE A 97 0.079 2.133 1.822 1.00 0.00 C ATOM 319 CE2 PHE A 97 0.527 -0.205 2.049 1.00 0.00 C ATOM 320 CZ PHE A 97 0.801 1.013 1.457 1.00 0.00 C ATOM 0 H PHE A 97 -0.651 2.890 6.051 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.655 0.982 6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.607 -0.327 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.139 1.297 4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.476 2.911 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.678 -1.253 3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.291 3.087 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.089 -1.083 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.578 1.089 0.711 1.00 0.00 H new ATOM 330 N SER A 98 -0.812 -0.818 6.710 1.00 0.00 N ATOM 331 CA SER A 98 0.288 -1.655 7.176 1.00 0.00 C ATOM 332 C SER A 98 0.502 -2.844 6.244 1.00 0.00 C ATOM 333 O SER A 98 -0.453 -3.392 5.691 1.00 0.00 O ATOM 334 CB SER A 98 0.014 -2.149 8.597 1.00 0.00 C ATOM 335 OG SER A 98 -1.379 -2.209 8.856 1.00 0.00 O ATOM 0 H SER A 98 -1.729 -1.262 6.759 1.00 0.00 H new ATOM 0 HA SER A 98 1.195 -1.051 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.455 -3.136 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.492 -1.483 9.315 1.00 0.00 H new ATOM 0 HG SER A 98 -1.527 -2.373 9.811 1.00 0.00 H new ATOM 341 N VAL A 99 1.761 -3.236 6.071 1.00 0.00 N ATOM 342 CA VAL A 99 2.099 -4.358 5.203 1.00 0.00 C ATOM 343 C VAL A 99 2.615 -5.550 6.002 1.00 0.00 C ATOM 344 O VAL A 99 3.410 -5.396 6.928 1.00 0.00 O ATOM 345 CB VAL A 99 3.162 -3.967 4.156 1.00 0.00 C ATOM 346 CG1 VAL A 99 4.468 -3.562 4.830 1.00 0.00 C ATOM 347 CG2 VAL A 99 3.394 -5.111 3.181 1.00 0.00 C ATOM 0 H VAL A 99 2.563 -2.793 6.520 1.00 0.00 H new ATOM 0 HA VAL A 99 1.177 -4.637 4.693 1.00 0.00 H new ATOM 0 HB VAL A 99 2.790 -3.107 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.201 -3.291 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.290 -2.708 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.848 -4.397 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.147 -4.818 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.740 -5.989 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.462 -5.347 2.668 1.00 0.00 H new ATOM 357 N GLN A 100 2.166 -6.740 5.620 1.00 0.00 N ATOM 358 CA GLN A 100 2.593 -7.966 6.281 1.00 0.00 C ATOM 359 C GLN A 100 3.049 -8.986 5.244 1.00 0.00 C ATOM 360 O GLN A 100 2.260 -9.801 4.769 1.00 0.00 O ATOM 361 CB GLN A 100 1.452 -8.544 7.119 1.00 0.00 C ATOM 362 CG GLN A 100 1.155 -7.741 8.375 1.00 0.00 C ATOM 363 CD GLN A 100 1.627 -8.434 9.638 1.00 0.00 C ATOM 364 OE1 GLN A 100 1.820 -9.649 9.657 1.00 0.00 O ATOM 365 NE2 GLN A 100 1.818 -7.661 10.702 1.00 0.00 N ATOM 0 H GLN A 100 1.506 -6.881 4.855 1.00 0.00 H new ATOM 0 HA GLN A 100 3.428 -7.734 6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.551 -8.593 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.701 -9.567 7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.635 -6.765 8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.082 -7.563 8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.645 -6.658 10.641 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.137 -8.071 11.580 1.00 0.00 H new ATOM 374 N ASN A 101 4.331 -8.928 4.899 1.00 0.00 N ATOM 375 CA ASN A 101 4.911 -9.835 3.913 1.00 0.00 C ATOM 376 C ASN A 101 4.296 -9.609 2.536 1.00 0.00 C ATOM 377 O ASN A 101 4.954 -9.093 1.631 1.00 0.00 O ATOM 378 CB ASN A 101 4.717 -11.290 4.344 1.00 0.00 C ATOM 379 CG ASN A 101 5.925 -12.152 4.029 1.00 0.00 C ATOM 380 OD1 ASN A 101 7.042 -11.855 4.453 1.00 0.00 O ATOM 381 ND2 ASN A 101 5.706 -13.226 3.279 1.00 0.00 N ATOM 0 H ASN A 101 4.993 -8.258 5.290 1.00 0.00 H new ATOM 0 HA ASN A 101 5.979 -9.626 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 101 4.518 -11.325 5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.840 -11.701 3.843 1.00 0.00 H new ATOM 0 HD21 ASN A 101 6.480 -13.843 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.764 -13.434 2.949 1.00 0.00 H new ATOM 388 N GLY A 102 3.035 -9.994 2.377 1.00 0.00 N ATOM 389 CA GLY A 102 2.369 -9.817 1.104 1.00 0.00 C ATOM 390 C GLY A 102 0.912 -9.412 1.247 1.00 0.00 C ATOM 391 O GLY A 102 0.226 -9.206 0.248 1.00 0.00 O ATOM 0 H GLY A 102 2.465 -10.424 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.896 -9.057 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.428 -10.746 0.537 1.00 0.00 H new ATOM 395 N ILE A 103 0.436 -9.298 2.486 1.00 0.00 N ATOM 396 CA ILE A 103 -0.950 -8.921 2.738 1.00 0.00 C ATOM 397 C ILE A 103 -1.035 -7.628 3.539 1.00 0.00 C ATOM 398 O ILE A 103 -0.080 -7.233 4.207 1.00 0.00 O ATOM 399 CB ILE A 103 -1.702 -10.038 3.491 1.00 0.00 C ATOM 400 CG1 ILE A 103 -1.540 -11.377 2.764 1.00 0.00 C ATOM 401 CG2 ILE A 103 -3.175 -9.685 3.638 1.00 0.00 C ATOM 402 CD1 ILE A 103 -1.843 -11.305 1.286 1.00 0.00 C ATOM 0 H ILE A 103 0.989 -9.461 3.327 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.420 -8.767 1.767 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.271 -10.132 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.519 -11.733 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.198 -12.113 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.689 -10.484 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.272 -8.754 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.620 -9.563 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.707 -12.289 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.873 -10.980 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.168 -10.594 0.810 1.00 0.00 H new ATOM 414 N ILE A 104 -2.186 -6.972 3.462 1.00 0.00 N ATOM 415 CA ILE A 104 -2.406 -5.720 4.171 1.00 0.00 C ATOM 416 C ILE A 104 -3.245 -5.945 5.427 1.00 0.00 C ATOM 417 O ILE A 104 -4.179 -6.744 5.427 1.00 0.00 O ATOM 418 CB ILE A 104 -3.098 -4.684 3.259 1.00 0.00 C ATOM 419 CG1 ILE A 104 -2.174 -4.309 2.098 1.00 0.00 C ATOM 420 CG2 ILE A 104 -3.493 -3.442 4.048 1.00 0.00 C ATOM 421 CD1 ILE A 104 -2.057 -5.387 1.045 1.00 0.00 C ATOM 0 H ILE A 104 -2.985 -7.289 2.912 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.431 -5.332 4.465 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.008 -5.131 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.543 -3.396 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.182 -4.088 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.978 -2.728 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.182 -3.721 4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -2.602 -2.987 4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.387 -5.051 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.659 -6.295 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.041 -5.593 0.624 1.00 0.00 H new ATOM 433 N CYS A 105 -2.900 -5.232 6.496 1.00 0.00 N ATOM 434 CA CYS A 105 -3.619 -5.356 7.760 1.00 0.00 C ATOM 435 C CYS A 105 -4.869 -4.482 7.764 1.00 0.00 C ATOM 436 O CYS A 105 -5.991 -4.990 7.740 1.00 0.00 O ATOM 437 CB CYS A 105 -2.708 -4.972 8.926 1.00 0.00 C ATOM 438 SG CYS A 105 -2.904 -6.016 10.390 1.00 0.00 S ATOM 0 H CYS A 105 -2.129 -4.564 6.512 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.927 -6.395 7.875 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.671 -5.021 8.594 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.906 -3.936 9.202 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.090 -5.615 11.321 1.00 0.00 H new ATOM 444 N SER A 106 -4.670 -3.169 7.798 1.00 0.00 N ATOM 445 CA SER A 106 -5.783 -2.228 7.808 1.00 0.00 C ATOM 446 C SER A 106 -5.456 -0.988 6.982 1.00 0.00 C ATOM 447 O SER A 106 -4.312 -0.780 6.582 1.00 0.00 O ATOM 448 CB SER A 106 -6.123 -1.823 9.244 1.00 0.00 C ATOM 449 OG SER A 106 -7.525 -1.765 9.441 1.00 0.00 O ATOM 0 H SER A 106 -3.748 -2.733 7.819 1.00 0.00 H new ATOM 0 HA SER A 106 -6.647 -2.722 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.684 -2.538 9.940 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.681 -0.851 9.465 1.00 0.00 H new ATOM 0 HG SER A 106 -7.715 -1.506 10.367 1.00 0.00 H new ATOM 455 N LEU A 107 -6.472 -0.167 6.731 1.00 0.00 N ATOM 456 CA LEU A 107 -6.296 1.055 5.954 1.00 0.00 C ATOM 457 C LEU A 107 -6.747 2.275 6.749 1.00 0.00 C ATOM 458 O LEU A 107 -7.400 2.148 7.785 1.00 0.00 O ATOM 459 CB LEU A 107 -7.084 0.968 4.644 1.00 0.00 C ATOM 460 CG LEU A 107 -6.231 0.904 3.375 1.00 0.00 C ATOM 461 CD1 LEU A 107 -7.041 0.337 2.217 1.00 0.00 C ATOM 462 CD2 LEU A 107 -5.691 2.284 3.026 1.00 0.00 C ATOM 0 H LEU A 107 -7.426 -0.326 7.055 1.00 0.00 H new ATOM 0 HA LEU A 107 -5.235 1.162 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.721 0.084 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.743 1.834 4.577 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.386 0.241 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.419 0.298 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.379 -0.668 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.905 0.975 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.087 2.220 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.523 2.969 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.077 2.653 3.847 1.00 0.00 H new ATOM 474 N MET A 108 -6.399 3.457 6.254 1.00 0.00 N ATOM 475 CA MET A 108 -6.771 4.703 6.911 1.00 0.00 C ATOM 476 C MET A 108 -7.568 5.594 5.963 1.00 0.00 C ATOM 477 O MET A 108 -6.994 6.301 5.135 1.00 0.00 O ATOM 478 CB MET A 108 -5.523 5.441 7.397 1.00 0.00 C ATOM 479 CG MET A 108 -5.803 6.452 8.497 1.00 0.00 C ATOM 480 SD MET A 108 -4.303 6.998 9.337 1.00 0.00 S ATOM 481 CE MET A 108 -4.537 8.773 9.333 1.00 0.00 C ATOM 0 H MET A 108 -5.858 3.578 5.398 1.00 0.00 H new ATOM 0 HA MET A 108 -7.397 4.462 7.771 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.799 4.712 7.761 1.00 0.00 H new ATOM 0 HB3 MET A 108 -5.062 5.954 6.553 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.311 7.317 8.070 1.00 0.00 H new ATOM 0 HG3 MET A 108 -6.483 6.011 9.226 1.00 0.00 H new ATOM 0 HE1 MET A 108 -3.688 9.253 9.820 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.614 9.128 8.305 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.452 9.021 9.871 1.00 0.00 H new ATOM 491 N ARG A 109 -8.891 5.552 6.088 1.00 0.00 N ATOM 492 CA ARG A 109 -9.767 6.356 5.240 1.00 0.00 C ATOM 493 C ARG A 109 -9.397 7.833 5.323 1.00 0.00 C ATOM 494 O ARG A 109 -9.897 8.564 6.179 1.00 0.00 O ATOM 495 CB ARG A 109 -11.229 6.159 5.645 1.00 0.00 C ATOM 496 CG ARG A 109 -11.887 4.955 4.989 1.00 0.00 C ATOM 497 CD ARG A 109 -12.836 5.373 3.875 1.00 0.00 C ATOM 498 NE ARG A 109 -12.728 4.501 2.709 1.00 0.00 N ATOM 499 CZ ARG A 109 -11.774 4.612 1.785 1.00 0.00 C ATOM 500 NH1 ARG A 109 -10.848 5.556 1.886 1.00 0.00 N ATOM 501 NH2 ARG A 109 -11.749 3.775 0.756 1.00 0.00 N ATOM 0 H ARG A 109 -9.381 4.970 6.768 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.637 6.025 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.285 6.048 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.793 7.056 5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.119 4.295 4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.435 4.385 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.861 5.357 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.620 6.400 3.581 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.423 3.764 2.595 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.863 6.203 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.121 5.635 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.459 3.048 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.019 3.859 0.048 1.00 0.00 H new ATOM 515 N GLY A 110 -8.515 8.262 4.429 1.00 0.00 N ATOM 516 CA GLY A 110 -8.081 9.646 4.414 1.00 0.00 C ATOM 517 C GLY A 110 -6.690 9.799 3.834 1.00 0.00 C ATOM 518 O GLY A 110 -6.364 10.833 3.248 1.00 0.00 O ATOM 0 H GLY A 110 -8.091 7.674 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.784 10.240 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.096 10.041 5.430 1.00 0.00 H new ATOM 522 N GLY A 111 -5.870 8.764 3.994 1.00 0.00 N ATOM 523 CA GLY A 111 -4.518 8.803 3.473 1.00 0.00 C ATOM 524 C GLY A 111 -4.483 8.727 1.960 1.00 0.00 C ATOM 525 O GLY A 111 -5.522 8.589 1.318 1.00 0.00 O ATOM 0 H GLY A 111 -6.119 7.900 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -4.031 9.722 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.946 7.974 3.890 1.00 0.00 H new ATOM 529 N ILE A 112 -3.288 8.822 1.391 1.00 0.00 N ATOM 530 CA ILE A 112 -3.123 8.768 -0.058 1.00 0.00 C ATOM 531 C ILE A 112 -3.191 7.332 -0.581 1.00 0.00 C ATOM 532 O ILE A 112 -3.377 7.106 -1.780 1.00 0.00 O ATOM 533 CB ILE A 112 -1.790 9.402 -0.506 1.00 0.00 C ATOM 534 CG1 ILE A 112 -1.384 10.539 0.437 1.00 0.00 C ATOM 535 CG2 ILE A 112 -1.913 9.914 -1.931 1.00 0.00 C ATOM 536 CD1 ILE A 112 -0.363 10.125 1.475 1.00 0.00 C ATOM 0 H ILE A 112 -2.418 8.937 1.910 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.949 9.341 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.013 8.638 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.979 11.362 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.273 10.916 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.968 10.360 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.158 9.085 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.702 10.664 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.121 10.979 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.773 9.322 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.541 9.775 0.977 1.00 0.00 H new ATOM 548 N ALA A 113 -3.040 6.364 0.319 1.00 0.00 N ATOM 549 CA ALA A 113 -3.087 4.959 -0.063 1.00 0.00 C ATOM 550 C ALA A 113 -4.409 4.629 -0.740 1.00 0.00 C ATOM 551 O ALA A 113 -4.478 3.756 -1.605 1.00 0.00 O ATOM 552 CB ALA A 113 -2.874 4.072 1.155 1.00 0.00 C ATOM 0 H ALA A 113 -2.885 6.528 1.314 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.284 4.769 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.912 3.025 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.901 4.288 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.656 4.267 1.888 1.00 0.00 H new ATOM 558 N GLU A 114 -5.457 5.342 -0.343 1.00 0.00 N ATOM 559 CA GLU A 114 -6.781 5.136 -0.913 1.00 0.00 C ATOM 560 C GLU A 114 -6.767 5.399 -2.416 1.00 0.00 C ATOM 561 O GLU A 114 -7.301 4.614 -3.198 1.00 0.00 O ATOM 562 CB GLU A 114 -7.793 6.062 -0.236 1.00 0.00 C ATOM 563 CG GLU A 114 -7.554 7.537 -0.530 1.00 0.00 C ATOM 564 CD GLU A 114 -8.327 8.450 0.403 1.00 0.00 C ATOM 565 OE1 GLU A 114 -7.992 8.491 1.605 1.00 0.00 O ATOM 566 OE2 GLU A 114 -9.265 9.124 -0.071 1.00 0.00 O ATOM 0 H GLU A 114 -5.414 6.068 0.372 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.071 4.099 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.797 5.792 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.755 5.903 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.489 7.753 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.840 7.750 -1.560 1.00 0.00 H new ATOM 573 N ARG A 115 -6.159 6.514 -2.809 1.00 0.00 N ATOM 574 CA ARG A 115 -6.080 6.887 -4.210 1.00 0.00 C ATOM 575 C ARG A 115 -5.296 5.857 -5.008 1.00 0.00 C ATOM 576 O ARG A 115 -5.734 5.417 -6.069 1.00 0.00 O ATOM 577 CB ARG A 115 -5.439 8.269 -4.358 1.00 0.00 C ATOM 578 CG ARG A 115 -6.448 9.386 -4.578 1.00 0.00 C ATOM 579 CD ARG A 115 -6.199 10.118 -5.888 1.00 0.00 C ATOM 580 NE ARG A 115 -6.447 9.264 -7.047 1.00 0.00 N ATOM 581 CZ ARG A 115 -6.129 9.598 -8.296 1.00 0.00 C ATOM 582 NH1 ARG A 115 -5.549 10.766 -8.551 1.00 0.00 N ATOM 583 NH2 ARG A 115 -6.390 8.763 -9.293 1.00 0.00 N ATOM 0 H ARG A 115 -5.714 7.174 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.095 6.923 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.856 8.488 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -4.742 8.250 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.456 8.971 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.395 10.093 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.842 10.996 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.169 10.475 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.890 8.359 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.345 11.412 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.307 11.017 -9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.834 7.865 -9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.146 9.019 -10.250 1.00 0.00 H new ATOM 597 N GLY A 116 -4.135 5.473 -4.491 1.00 0.00 N ATOM 598 CA GLY A 116 -3.313 4.491 -5.176 1.00 0.00 C ATOM 599 C GLY A 116 -4.099 3.254 -5.576 1.00 0.00 C ATOM 600 O GLY A 116 -4.412 3.059 -6.750 1.00 0.00 O ATOM 0 H GLY A 116 -3.749 5.822 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.877 4.944 -6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.486 4.199 -4.529 1.00 0.00 H new ATOM 604 N GLY A 117 -4.413 2.422 -4.592 1.00 0.00 N ATOM 605 CA GLY A 117 -5.164 1.205 -4.848 1.00 0.00 C ATOM 606 C GLY A 117 -5.287 0.331 -3.612 1.00 0.00 C ATOM 607 O GLY A 117 -6.222 -0.463 -3.498 1.00 0.00 O ATOM 0 H GLY A 117 -4.160 2.568 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.160 1.464 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.676 0.640 -5.642 1.00 0.00 H new ATOM 611 N VAL A 118 -4.336 0.477 -2.691 1.00 0.00 N ATOM 612 CA VAL A 118 -4.316 -0.299 -1.451 1.00 0.00 C ATOM 613 C VAL A 118 -5.719 -0.460 -0.858 1.00 0.00 C ATOM 614 O VAL A 118 -6.335 0.509 -0.417 1.00 0.00 O ATOM 615 CB VAL A 118 -3.372 0.354 -0.405 1.00 0.00 C ATOM 616 CG1 VAL A 118 -3.942 0.260 1.008 1.00 0.00 C ATOM 617 CG2 VAL A 118 -1.991 -0.287 -0.462 1.00 0.00 C ATOM 0 H VAL A 118 -3.561 1.133 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.939 -1.291 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 118 -3.284 1.411 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.252 0.728 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -4.903 0.772 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.078 -0.788 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.341 0.182 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.075 -1.352 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.567 -0.150 -1.457 1.00 0.00 H new ATOM 627 N ARG A 119 -6.203 -1.698 -0.843 1.00 0.00 N ATOM 628 CA ARG A 119 -7.520 -2.008 -0.299 1.00 0.00 C ATOM 629 C ARG A 119 -7.431 -3.209 0.640 1.00 0.00 C ATOM 630 O ARG A 119 -7.197 -4.333 0.201 1.00 0.00 O ATOM 631 CB ARG A 119 -8.510 -2.295 -1.429 1.00 0.00 C ATOM 632 CG ARG A 119 -9.726 -1.382 -1.417 1.00 0.00 C ATOM 633 CD ARG A 119 -10.436 -1.386 -2.759 1.00 0.00 C ATOM 634 NE ARG A 119 -11.647 -0.566 -2.743 1.00 0.00 N ATOM 635 CZ ARG A 119 -12.566 -0.580 -3.706 1.00 0.00 C ATOM 636 NH1 ARG A 119 -12.416 -1.368 -4.762 1.00 0.00 N ATOM 637 NH2 ARG A 119 -13.635 0.197 -3.611 1.00 0.00 N ATOM 0 H ARG A 119 -5.699 -2.508 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.876 -1.145 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.997 -2.192 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.842 -3.331 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -10.417 -1.704 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.418 -0.366 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.758 -1.016 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.695 -2.410 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.796 0.053 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.594 -1.967 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.123 -1.375 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.753 0.805 -2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.340 0.187 -4.348 1.00 0.00 H new ATOM 651 N VAL A 120 -7.609 -2.959 1.935 1.00 0.00 N ATOM 652 CA VAL A 120 -7.538 -4.016 2.943 1.00 0.00 C ATOM 653 C VAL A 120 -8.278 -5.275 2.494 1.00 0.00 C ATOM 654 O VAL A 120 -9.490 -5.253 2.276 1.00 0.00 O ATOM 655 CB VAL A 120 -8.114 -3.545 4.296 1.00 0.00 C ATOM 656 CG1 VAL A 120 -8.093 -4.672 5.318 1.00 0.00 C ATOM 657 CG2 VAL A 120 -7.340 -2.341 4.813 1.00 0.00 C ATOM 0 H VAL A 120 -7.804 -2.032 2.313 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.482 -4.254 3.068 1.00 0.00 H new ATOM 0 HB VAL A 120 -9.152 -3.250 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -8.504 -4.315 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.694 -5.505 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -7.066 -5.005 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.759 -2.022 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.293 -2.612 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -7.413 -1.525 4.094 1.00 0.00 H new ATOM 667 N GLY A 121 -7.537 -6.371 2.364 1.00 0.00 N ATOM 668 CA GLY A 121 -8.133 -7.627 1.949 1.00 0.00 C ATOM 669 C GLY A 121 -7.563 -8.149 0.643 1.00 0.00 C ATOM 670 O GLY A 121 -8.245 -8.858 -0.096 1.00 0.00 O ATOM 0 H GLY A 121 -6.533 -6.411 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -7.979 -8.372 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.210 -7.495 1.842 1.00 0.00 H new ATOM 674 N HIS A 122 -6.311 -7.802 0.357 1.00 0.00 N ATOM 675 CA HIS A 122 -5.664 -8.254 -0.871 1.00 0.00 C ATOM 676 C HIS A 122 -4.227 -8.695 -0.604 1.00 0.00 C ATOM 677 O HIS A 122 -3.814 -8.821 0.548 1.00 0.00 O ATOM 678 CB HIS A 122 -5.698 -7.148 -1.930 1.00 0.00 C ATOM 679 CG HIS A 122 -4.705 -6.053 -1.697 1.00 0.00 C ATOM 680 ND1 HIS A 122 -5.025 -4.866 -1.077 1.00 0.00 N ATOM 681 CD2 HIS A 122 -3.393 -5.971 -2.012 1.00 0.00 C ATOM 682 CE1 HIS A 122 -3.952 -4.099 -1.020 1.00 0.00 C ATOM 683 NE2 HIS A 122 -2.948 -4.745 -1.582 1.00 0.00 N ATOM 0 H HIS A 122 -5.728 -7.214 0.953 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.216 -9.115 -1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -5.513 -7.590 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -6.699 -6.717 -1.959 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -5.947 -4.618 -0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.805 -6.728 -2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -3.904 -3.111 -0.587 1.00 0.00 H new ATOM 692 N ARG A 123 -3.470 -8.939 -1.673 1.00 0.00 N ATOM 693 CA ARG A 123 -2.083 -9.376 -1.540 1.00 0.00 C ATOM 694 C ARG A 123 -1.154 -8.601 -2.474 1.00 0.00 C ATOM 695 O ARG A 123 -1.237 -8.735 -3.694 1.00 0.00 O ATOM 696 CB ARG A 123 -1.971 -10.876 -1.834 1.00 0.00 C ATOM 697 CG ARG A 123 -0.541 -11.399 -1.842 1.00 0.00 C ATOM 698 CD ARG A 123 -0.503 -12.918 -1.861 1.00 0.00 C ATOM 699 NE ARG A 123 -1.292 -13.475 -2.957 1.00 0.00 N ATOM 700 CZ ARG A 123 -0.927 -13.422 -4.236 1.00 0.00 C ATOM 701 NH1 ARG A 123 0.213 -12.836 -4.584 1.00 0.00 N ATOM 702 NH2 ARG A 123 -1.702 -13.958 -5.170 1.00 0.00 N ATOM 0 H ARG A 123 -3.793 -8.842 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.774 -9.178 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.544 -11.426 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.428 -11.081 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.015 -11.010 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.013 -11.032 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.530 -13.253 -1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.880 -13.301 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.175 -13.932 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.813 -12.424 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 123 0.488 -12.798 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.578 -14.411 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.422 -13.917 -6.150 1.00 0.00 H new ATOM 716 N ILE A 124 -0.253 -7.818 -1.890 1.00 0.00 N ATOM 717 CA ILE A 124 0.710 -7.051 -2.672 1.00 0.00 C ATOM 718 C ILE A 124 1.767 -7.983 -3.246 1.00 0.00 C ATOM 719 O ILE A 124 1.965 -9.088 -2.740 1.00 0.00 O ATOM 720 CB ILE A 124 1.389 -5.960 -1.818 1.00 0.00 C ATOM 721 CG1 ILE A 124 0.379 -4.877 -1.461 1.00 0.00 C ATOM 722 CG2 ILE A 124 2.575 -5.353 -2.557 1.00 0.00 C ATOM 723 CD1 ILE A 124 0.719 -4.132 -0.193 1.00 0.00 C ATOM 0 H ILE A 124 -0.169 -7.698 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 124 0.170 -6.561 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 124 1.759 -6.419 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 124 0.314 -4.166 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.606 -5.331 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.038 -4.586 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.305 -6.132 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.232 -4.905 -3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.042 -3.376 0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.755 -4.832 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.690 -3.649 -0.304 1.00 0.00 H new ATOM 735 N ILE A 125 2.441 -7.550 -4.305 1.00 0.00 N ATOM 736 CA ILE A 125 3.461 -8.382 -4.918 1.00 0.00 C ATOM 737 C ILE A 125 4.614 -7.570 -5.509 1.00 0.00 C ATOM 738 O ILE A 125 5.658 -7.420 -4.879 1.00 0.00 O ATOM 739 CB ILE A 125 2.852 -9.306 -5.994 1.00 0.00 C ATOM 740 CG1 ILE A 125 1.870 -8.556 -6.894 1.00 0.00 C ATOM 741 CG2 ILE A 125 2.143 -10.464 -5.331 1.00 0.00 C ATOM 742 CD1 ILE A 125 2.186 -8.704 -8.364 1.00 0.00 C ATOM 0 H ILE A 125 2.301 -6.642 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 125 3.876 -8.994 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 125 3.668 -9.673 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.861 -8.923 -6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.879 -7.498 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.715 -11.114 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.855 -11.030 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.348 -10.085 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.454 -8.149 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.183 -8.312 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.149 -9.758 -8.640 1.00 0.00 H new ATOM 754 N GLU A 126 4.434 -7.071 -6.723 1.00 0.00 N ATOM 755 CA GLU A 126 5.478 -6.306 -7.403 1.00 0.00 C ATOM 756 C GLU A 126 5.428 -4.819 -7.060 1.00 0.00 C ATOM 757 O GLU A 126 4.802 -4.029 -7.767 1.00 0.00 O ATOM 758 CB GLU A 126 5.358 -6.488 -8.917 1.00 0.00 C ATOM 759 CG GLU A 126 6.099 -7.707 -9.443 1.00 0.00 C ATOM 760 CD GLU A 126 5.319 -8.447 -10.511 1.00 0.00 C ATOM 761 OE1 GLU A 126 4.693 -7.777 -11.360 1.00 0.00 O ATOM 762 OE2 GLU A 126 5.331 -9.695 -10.498 1.00 0.00 O ATOM 0 H GLU A 126 3.575 -7.180 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 126 6.436 -6.691 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.304 -6.571 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.742 -5.597 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.060 -7.395 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.309 -8.385 -8.616 1.00 0.00 H new ATOM 769 N ILE A 127 6.107 -4.440 -5.980 1.00 0.00 N ATOM 770 CA ILE A 127 6.153 -3.046 -5.556 1.00 0.00 C ATOM 771 C ILE A 127 7.281 -2.295 -6.248 1.00 0.00 C ATOM 772 O ILE A 127 8.451 -2.444 -5.895 1.00 0.00 O ATOM 773 CB ILE A 127 6.336 -2.928 -4.038 1.00 0.00 C ATOM 774 CG1 ILE A 127 5.523 -4.013 -3.350 1.00 0.00 C ATOM 775 CG2 ILE A 127 5.925 -1.544 -3.555 1.00 0.00 C ATOM 776 CD1 ILE A 127 5.370 -3.820 -1.856 1.00 0.00 C ATOM 0 H ILE A 127 6.632 -5.080 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 127 5.198 -2.602 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 127 7.388 -3.063 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.533 -4.052 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.996 -4.978 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 127 6.062 -1.480 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 127 6.541 -0.790 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 127 4.877 -1.370 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 127 4.778 -4.636 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 127 6.354 -3.812 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.868 -2.872 -1.661 1.00 0.00 H new ATOM 788 N ASN A 128 6.919 -1.486 -7.233 1.00 0.00 N ATOM 789 CA ASN A 128 7.897 -0.702 -7.983 1.00 0.00 C ATOM 790 C ASN A 128 9.012 -1.590 -8.533 1.00 0.00 C ATOM 791 O ASN A 128 10.124 -1.123 -8.775 1.00 0.00 O ATOM 792 CB ASN A 128 8.492 0.391 -7.092 1.00 0.00 C ATOM 793 CG ASN A 128 7.842 1.742 -7.320 1.00 0.00 C ATOM 794 OD1 ASN A 128 7.453 2.075 -8.440 1.00 0.00 O ATOM 795 ND2 ASN A 128 7.722 2.529 -6.257 1.00 0.00 N ATOM 0 H ASN A 128 5.954 -1.353 -7.534 1.00 0.00 H new ATOM 0 HA ASN A 128 7.383 -0.240 -8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 128 8.375 0.107 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 128 9.562 0.469 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.293 3.450 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 128 8.058 2.212 -5.348 1.00 0.00 H new ATOM 802 N GLY A 129 8.707 -2.869 -8.730 1.00 0.00 N ATOM 803 CA GLY A 129 9.696 -3.796 -9.251 1.00 0.00 C ATOM 804 C GLY A 129 10.158 -4.808 -8.217 1.00 0.00 C ATOM 805 O GLY A 129 10.796 -5.804 -8.561 1.00 0.00 O ATOM 0 H GLY A 129 7.793 -3.280 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.276 -4.324 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 129 10.557 -3.235 -9.614 1.00 0.00 H new ATOM 809 N GLN A 130 9.838 -4.557 -6.950 1.00 0.00 N ATOM 810 CA GLN A 130 10.228 -5.457 -5.872 1.00 0.00 C ATOM 811 C GLN A 130 9.098 -6.426 -5.541 1.00 0.00 C ATOM 812 O GLN A 130 8.063 -6.028 -5.009 1.00 0.00 O ATOM 813 CB GLN A 130 10.613 -4.658 -4.624 1.00 0.00 C ATOM 814 CG GLN A 130 11.051 -5.526 -3.456 1.00 0.00 C ATOM 815 CD GLN A 130 12.160 -4.890 -2.641 1.00 0.00 C ATOM 816 OE1 GLN A 130 12.938 -4.085 -3.152 1.00 0.00 O ATOM 817 NE2 GLN A 130 12.236 -5.249 -1.364 1.00 0.00 N ATOM 0 H GLN A 130 9.310 -3.739 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 130 11.092 -6.032 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 130 11.420 -3.971 -4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.762 -4.050 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 130 10.195 -5.718 -2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 130 11.389 -6.491 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.569 -5.920 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 130 12.961 -4.853 -0.765 1.00 0.00 H new ATOM 826 N SER A 131 9.304 -7.699 -5.860 1.00 0.00 N ATOM 827 CA SER A 131 8.301 -8.724 -5.598 1.00 0.00 C ATOM 828 C SER A 131 8.249 -9.073 -4.113 1.00 0.00 C ATOM 829 O SER A 131 8.918 -10.002 -3.662 1.00 0.00 O ATOM 830 CB SER A 131 8.597 -9.979 -6.420 1.00 0.00 C ATOM 831 OG SER A 131 7.900 -9.958 -7.653 1.00 0.00 O ATOM 0 H SER A 131 10.156 -8.046 -6.300 1.00 0.00 H new ATOM 0 HA SER A 131 7.329 -8.327 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.669 -10.051 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.311 -10.865 -5.853 1.00 0.00 H new ATOM 0 HG SER A 131 8.108 -10.770 -8.160 1.00 0.00 H new ATOM 837 N VAL A 132 7.450 -8.323 -3.359 1.00 0.00 N ATOM 838 CA VAL A 132 7.311 -8.550 -1.932 1.00 0.00 C ATOM 839 C VAL A 132 6.481 -9.797 -1.630 1.00 0.00 C ATOM 840 O VAL A 132 6.335 -10.188 -0.473 1.00 0.00 O ATOM 841 CB VAL A 132 6.674 -7.341 -1.223 1.00 0.00 C ATOM 842 CG1 VAL A 132 7.520 -6.095 -1.427 1.00 0.00 C ATOM 843 CG2 VAL A 132 5.251 -7.118 -1.715 1.00 0.00 C ATOM 0 H VAL A 132 6.889 -7.551 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 132 8.321 -8.697 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 132 6.633 -7.552 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.053 -5.251 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.516 -6.260 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 132 7.598 -5.879 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.819 -6.259 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.262 -6.931 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.651 -8.004 -1.508 1.00 0.00 H new ATOM 853 N VAL A 133 5.929 -10.412 -2.673 1.00 0.00 N ATOM 854 CA VAL A 133 5.109 -11.608 -2.516 1.00 0.00 C ATOM 855 C VAL A 133 5.767 -12.621 -1.582 1.00 0.00 C ATOM 856 O VAL A 133 5.086 -13.358 -0.868 1.00 0.00 O ATOM 857 CB VAL A 133 4.829 -12.263 -3.882 1.00 0.00 C ATOM 858 CG1 VAL A 133 6.078 -12.933 -4.436 1.00 0.00 C ATOM 859 CG2 VAL A 133 3.679 -13.252 -3.780 1.00 0.00 C ATOM 0 H VAL A 133 6.036 -10.100 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 133 4.165 -11.295 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 133 4.538 -11.477 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 133 5.850 -13.387 -5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.865 -12.189 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.415 -13.704 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.499 -13.702 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.932 -14.032 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.780 -12.732 -3.449 1.00 0.00 H new ATOM 869 N ALA A 134 7.095 -12.640 -1.585 1.00 0.00 N ATOM 870 CA ALA A 134 7.849 -13.550 -0.731 1.00 0.00 C ATOM 871 C ALA A 134 8.890 -12.787 0.079 1.00 0.00 C ATOM 872 O ALA A 134 9.927 -13.334 0.454 1.00 0.00 O ATOM 873 CB ALA A 134 8.511 -14.636 -1.565 1.00 0.00 C ATOM 0 H ALA A 134 7.672 -12.035 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 134 7.156 -14.024 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 134 9.070 -15.307 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.747 -15.202 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 134 9.191 -14.179 -2.283 1.00 0.00 H new ATOM 879 N THR A 135 8.604 -11.515 0.338 1.00 0.00 N ATOM 880 CA THR A 135 9.512 -10.661 1.099 1.00 0.00 C ATOM 881 C THR A 135 8.931 -10.320 2.471 1.00 0.00 C ATOM 882 O THR A 135 7.724 -10.126 2.609 1.00 0.00 O ATOM 883 CB THR A 135 9.791 -9.374 0.323 1.00 0.00 C ATOM 884 OG1 THR A 135 10.242 -9.663 -0.987 1.00 0.00 O ATOM 885 CG2 THR A 135 10.828 -8.488 0.980 1.00 0.00 C ATOM 0 H THR A 135 7.749 -11.051 0.032 1.00 0.00 H new ATOM 0 HA THR A 135 10.443 -11.207 1.248 1.00 0.00 H new ATOM 0 HB THR A 135 8.841 -8.840 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 135 10.413 -8.825 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 135 10.977 -7.593 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.485 -8.202 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 135 11.770 -9.030 1.063 1.00 0.00 H new ATOM 893 N PRO A 136 9.788 -10.232 3.507 1.00 0.00 N ATOM 894 CA PRO A 136 9.350 -9.901 4.868 1.00 0.00 C ATOM 895 C PRO A 136 8.542 -8.607 4.911 1.00 0.00 C ATOM 896 O PRO A 136 8.556 -7.827 3.960 1.00 0.00 O ATOM 897 CB PRO A 136 10.662 -9.741 5.640 1.00 0.00 C ATOM 898 CG PRO A 136 11.651 -10.550 4.876 1.00 0.00 C ATOM 899 CD PRO A 136 11.247 -10.439 3.433 1.00 0.00 C ATOM 0 HA PRO A 136 8.692 -10.665 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 136 10.964 -8.695 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 136 10.565 -10.099 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 136 12.663 -10.175 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 136 11.643 -11.589 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 136 11.747 -9.607 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 136 11.498 -11.340 2.874 1.00 0.00 H new ATOM 907 N HIS A 137 7.835 -8.390 6.015 1.00 0.00 N ATOM 908 CA HIS A 137 7.014 -7.193 6.175 1.00 0.00 C ATOM 909 C HIS A 137 7.874 -5.949 6.399 1.00 0.00 C ATOM 910 O HIS A 137 7.652 -4.910 5.779 1.00 0.00 O ATOM 911 CB HIS A 137 6.042 -7.370 7.345 1.00 0.00 C ATOM 912 CG HIS A 137 6.716 -7.439 8.681 1.00 0.00 C ATOM 913 ND1 HIS A 137 7.544 -8.371 9.209 1.00 0.00 N flip ATOM 914 CD2 HIS A 137 6.568 -6.467 9.648 1.00 0.00 C flip ATOM 915 CE1 HIS A 137 7.878 -7.948 10.472 1.00 0.00 C flip ATOM 916 NE2 HIS A 137 7.277 -6.797 10.713 1.00 0.00 N flip ATOM 0 H HIS A 137 7.813 -9.026 6.812 1.00 0.00 H new ATOM 0 HA HIS A 137 6.450 -7.053 5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 137 5.335 -6.541 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 137 5.464 -8.282 7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 137 5.967 -5.575 9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 137 8.527 -8.472 11.158 1.00 0.00 H new ATOM 0 HE2 HIS A 137 7.348 -6.255 11.574 1.00 0.00 H new ATOM 925 N GLU A 138 8.849 -6.062 7.294 1.00 0.00 N ATOM 926 CA GLU A 138 9.736 -4.946 7.610 1.00 0.00 C ATOM 927 C GLU A 138 10.391 -4.378 6.351 1.00 0.00 C ATOM 928 O GLU A 138 10.553 -3.164 6.217 1.00 0.00 O ATOM 929 CB GLU A 138 10.813 -5.392 8.602 1.00 0.00 C ATOM 930 CG GLU A 138 10.624 -4.824 10.000 1.00 0.00 C ATOM 931 CD GLU A 138 10.664 -3.310 10.024 1.00 0.00 C ATOM 932 OE1 GLU A 138 9.599 -2.685 9.823 1.00 0.00 O ATOM 933 OE2 GLU A 138 11.756 -2.746 10.243 1.00 0.00 O ATOM 0 H GLU A 138 9.046 -6.916 7.815 1.00 0.00 H new ATOM 0 HA GLU A 138 9.132 -4.159 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.815 -6.481 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 138 11.790 -5.090 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 138 9.669 -5.165 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.402 -5.215 10.655 1.00 0.00 H new ATOM 940 N LYS A 139 10.769 -5.261 5.435 1.00 0.00 N ATOM 941 CA LYS A 139 11.411 -4.844 4.194 1.00 0.00 C ATOM 942 C LYS A 139 10.474 -3.989 3.348 1.00 0.00 C ATOM 943 O LYS A 139 10.868 -2.941 2.837 1.00 0.00 O ATOM 944 CB LYS A 139 11.869 -6.067 3.397 1.00 0.00 C ATOM 945 CG LYS A 139 13.236 -5.898 2.755 1.00 0.00 C ATOM 946 CD LYS A 139 13.477 -6.935 1.670 1.00 0.00 C ATOM 947 CE LYS A 139 14.834 -6.746 1.013 1.00 0.00 C ATOM 948 NZ LYS A 139 15.915 -7.454 1.754 1.00 0.00 N ATOM 0 H LYS A 139 10.643 -6.269 5.527 1.00 0.00 H new ATOM 0 HA LYS A 139 12.281 -4.240 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 139 11.892 -6.933 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 139 11.135 -6.279 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 139 13.317 -4.898 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 139 14.010 -5.982 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.416 -7.935 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.693 -6.864 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 139 14.795 -7.115 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 139 15.067 -5.682 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 16.824 -7.300 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 15.970 -7.085 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 15.707 -8.473 1.782 1.00 0.00 H new ATOM 962 N ILE A 140 9.230 -4.437 3.210 1.00 0.00 N ATOM 963 CA ILE A 140 8.242 -3.704 2.424 1.00 0.00 C ATOM 964 C ILE A 140 8.044 -2.307 2.990 1.00 0.00 C ATOM 965 O ILE A 140 8.040 -1.318 2.253 1.00 0.00 O ATOM 966 CB ILE A 140 6.881 -4.427 2.398 1.00 0.00 C ATOM 967 CG1 ILE A 140 7.058 -5.918 2.110 1.00 0.00 C ATOM 968 CG2 ILE A 140 5.971 -3.797 1.358 1.00 0.00 C ATOM 969 CD1 ILE A 140 5.914 -6.767 2.618 1.00 0.00 C ATOM 0 H ILE A 140 8.883 -5.299 3.630 1.00 0.00 H new ATOM 0 HA ILE A 140 8.625 -3.644 1.405 1.00 0.00 H new ATOM 0 HB ILE A 140 6.422 -4.322 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 140 7.159 -6.063 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 140 7.986 -6.261 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 140 5.013 -4.317 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 140 5.812 -2.747 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 140 6.434 -3.875 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 140 6.104 -7.814 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 140 5.826 -6.650 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 140 4.986 -6.450 2.142 1.00 0.00 H new ATOM 981 N VAL A 141 7.901 -2.230 4.306 1.00 0.00 N ATOM 982 CA VAL A 141 7.725 -0.953 4.980 1.00 0.00 C ATOM 983 C VAL A 141 8.930 -0.055 4.721 1.00 0.00 C ATOM 984 O VAL A 141 8.800 1.166 4.645 1.00 0.00 O ATOM 985 CB VAL A 141 7.526 -1.147 6.499 1.00 0.00 C ATOM 986 CG1 VAL A 141 7.594 0.184 7.235 1.00 0.00 C ATOM 987 CG2 VAL A 141 6.203 -1.843 6.775 1.00 0.00 C ATOM 0 H VAL A 141 7.904 -3.038 4.928 1.00 0.00 H new ATOM 0 HA VAL A 141 6.830 -0.478 4.579 1.00 0.00 H new ATOM 0 HB VAL A 141 8.335 -1.777 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 141 7.451 0.017 8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 141 8.568 0.643 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 141 6.812 0.846 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.077 -1.973 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 141 5.385 -1.238 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.197 -2.819 6.289 1.00 0.00 H new ATOM 997 N HIS A 142 10.102 -0.671 4.582 1.00 0.00 N ATOM 998 CA HIS A 142 11.328 0.074 4.322 1.00 0.00 C ATOM 999 C HIS A 142 11.225 0.838 3.007 1.00 0.00 C ATOM 1000 O HIS A 142 11.430 2.051 2.970 1.00 0.00 O ATOM 1001 CB HIS A 142 12.533 -0.869 4.291 1.00 0.00 C ATOM 1002 CG HIS A 142 13.847 -0.155 4.225 1.00 0.00 C ATOM 1003 ND1 HIS A 142 14.299 0.794 3.371 1.00 0.00 N flip ATOM 1004 CD2 HIS A 142 14.878 -0.393 5.109 1.00 0.00 C flip ATOM 1005 CE1 HIS A 142 15.580 1.109 3.752 1.00 0.00 C flip ATOM 1006 NE2 HIS A 142 15.906 0.379 4.803 1.00 0.00 N flip ATOM 0 H HIS A 142 10.227 -1.681 4.645 1.00 0.00 H new ATOM 0 HA HIS A 142 11.467 0.792 5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 142 12.515 -1.499 5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 142 12.444 -1.531 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 142 14.850 -1.100 5.925 1.00 0.00 H new ATOM 0 HE1 HIS A 142 16.217 1.836 3.270 1.00 0.00 H new ATOM 0 HE2 HIS A 142 16.799 0.406 5.295 1.00 0.00 H new ATOM 1015 N ILE A 143 10.893 0.129 1.928 1.00 0.00 N ATOM 1016 CA ILE A 143 10.750 0.762 0.624 1.00 0.00 C ATOM 1017 C ILE A 143 9.795 1.935 0.712 1.00 0.00 C ATOM 1018 O ILE A 143 10.143 3.067 0.384 1.00 0.00 O ATOM 1019 CB ILE A 143 10.215 -0.228 -0.416 1.00 0.00 C ATOM 1020 CG1 ILE A 143 11.263 -1.293 -0.672 1.00 0.00 C ATOM 1021 CG2 ILE A 143 9.828 0.485 -1.708 1.00 0.00 C ATOM 1022 CD1 ILE A 143 11.126 -2.477 0.246 1.00 0.00 C ATOM 0 H ILE A 143 10.720 -0.876 1.934 1.00 0.00 H new ATOM 0 HA ILE A 143 11.738 1.105 0.316 1.00 0.00 H new ATOM 0 HB ILE A 143 9.312 -0.700 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 143 11.187 -1.630 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 143 12.255 -0.857 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 143 9.452 -0.243 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 143 9.053 1.222 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 143 10.702 0.986 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 143 11.902 -3.207 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 143 11.230 -2.149 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 143 10.146 -2.934 0.107 1.00 0.00 H new ATOM 1034 N LEU A 144 8.588 1.647 1.171 1.00 0.00 N ATOM 1035 CA LEU A 144 7.576 2.676 1.319 1.00 0.00 C ATOM 1036 C LEU A 144 8.043 3.737 2.305 1.00 0.00 C ATOM 1037 O LEU A 144 7.694 4.911 2.180 1.00 0.00 O ATOM 1038 CB LEU A 144 6.247 2.064 1.756 1.00 0.00 C ATOM 1039 CG LEU A 144 5.573 1.164 0.711 1.00 0.00 C ATOM 1040 CD1 LEU A 144 4.062 1.215 0.863 1.00 0.00 C ATOM 1041 CD2 LEU A 144 5.958 1.566 -0.705 1.00 0.00 C ATOM 0 H LEU A 144 8.287 0.712 1.446 1.00 0.00 H new ATOM 0 HA LEU A 144 7.420 3.156 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.413 1.482 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.561 2.870 2.016 1.00 0.00 H new ATOM 0 HG LEU A 144 5.921 0.146 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 144 3.599 0.572 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 144 3.785 0.871 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 144 3.717 2.239 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.462 0.907 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 144 5.650 2.595 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.038 1.484 -0.826 1.00 0.00 H new ATOM 1053 N SER A 145 8.856 3.321 3.271 1.00 0.00 N ATOM 1054 CA SER A 145 9.393 4.244 4.257 1.00 0.00 C ATOM 1055 C SER A 145 10.395 5.186 3.596 1.00 0.00 C ATOM 1056 O SER A 145 10.605 6.307 4.057 1.00 0.00 O ATOM 1057 CB SER A 145 10.066 3.479 5.397 1.00 0.00 C ATOM 1058 OG SER A 145 10.719 4.365 6.291 1.00 0.00 O ATOM 0 H SER A 145 9.155 2.353 3.390 1.00 0.00 H new ATOM 0 HA SER A 145 8.571 4.829 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 145 9.320 2.896 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.788 2.772 4.988 1.00 0.00 H new ATOM 0 HG SER A 145 11.615 4.571 5.951 1.00 0.00 H new ATOM 1064 N ASN A 146 11.007 4.721 2.506 1.00 0.00 N ATOM 1065 CA ASN A 146 11.982 5.525 1.777 1.00 0.00 C ATOM 1066 C ASN A 146 11.629 5.600 0.293 1.00 0.00 C ATOM 1067 O ASN A 146 12.512 5.678 -0.561 1.00 0.00 O ATOM 1068 CB ASN A 146 13.385 4.945 1.955 1.00 0.00 C ATOM 1069 CG ASN A 146 13.849 4.986 3.397 1.00 0.00 C ATOM 1070 OD1 ASN A 146 13.229 4.170 4.241 1.00 0.00 O flip ATOM 1071 ND2 ASN A 146 14.755 5.743 3.748 1.00 0.00 N flip ATOM 0 H ASN A 146 10.844 3.795 2.112 1.00 0.00 H new ATOM 0 HA ASN A 146 11.961 6.536 2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 146 13.396 3.914 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 146 14.087 5.502 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 146 15.203 6.353 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 146 15.057 5.760 4.722 1.00 0.00 H new ATOM 1078 N ALA A 147 10.333 5.573 -0.008 1.00 0.00 N ATOM 1079 CA ALA A 147 9.863 5.637 -1.386 1.00 0.00 C ATOM 1080 C ALA A 147 9.093 6.926 -1.649 1.00 0.00 C ATOM 1081 O ALA A 147 8.060 6.919 -2.317 1.00 0.00 O ATOM 1082 CB ALA A 147 8.995 4.429 -1.706 1.00 0.00 C ATOM 0 H ALA A 147 9.589 5.507 0.687 1.00 0.00 H new ATOM 0 HA ALA A 147 10.736 5.628 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 147 8.652 4.491 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 147 9.577 3.517 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 147 8.134 4.412 -1.038 1.00 0.00 H new ATOM 1088 N VAL A 148 9.603 8.035 -1.118 1.00 0.00 N ATOM 1089 CA VAL A 148 8.964 9.332 -1.294 1.00 0.00 C ATOM 1090 C VAL A 148 8.682 9.620 -2.766 1.00 0.00 C ATOM 1091 O VAL A 148 9.509 9.337 -3.633 1.00 0.00 O ATOM 1092 CB VAL A 148 9.832 10.469 -0.718 1.00 0.00 C ATOM 1093 CG1 VAL A 148 9.904 10.373 0.798 1.00 0.00 C ATOM 1094 CG2 VAL A 148 11.225 10.436 -1.330 1.00 0.00 C ATOM 0 H VAL A 148 10.458 8.059 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 148 8.020 9.291 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 148 9.369 11.422 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 148 10.521 11.184 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 148 8.900 10.450 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 148 10.343 9.416 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 148 11.825 11.245 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 148 11.698 9.480 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 148 11.151 10.559 -2.410 1.00 0.00 H new ATOM 1104 N GLY A 149 7.511 10.183 -3.039 1.00 0.00 N ATOM 1105 CA GLY A 149 7.138 10.499 -4.406 1.00 0.00 C ATOM 1106 C GLY A 149 5.865 9.798 -4.835 1.00 0.00 C ATOM 1107 O GLY A 149 4.767 10.203 -4.453 1.00 0.00 O ATOM 0 H GLY A 149 6.812 10.427 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 149 7.007 11.577 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 149 7.949 10.215 -5.076 1.00 0.00 H new ATOM 1111 N GLU A 150 6.009 8.743 -5.630 1.00 0.00 N ATOM 1112 CA GLU A 150 4.861 7.984 -6.111 1.00 0.00 C ATOM 1113 C GLU A 150 5.150 6.486 -6.085 1.00 0.00 C ATOM 1114 O GLU A 150 5.818 5.958 -6.973 1.00 0.00 O ATOM 1115 CB GLU A 150 4.494 8.419 -7.530 1.00 0.00 C ATOM 1116 CG GLU A 150 4.113 9.887 -7.637 1.00 0.00 C ATOM 1117 CD GLU A 150 2.909 10.113 -8.531 1.00 0.00 C ATOM 1118 OE1 GLU A 150 3.029 9.889 -9.753 1.00 0.00 O ATOM 1119 OE2 GLU A 150 1.849 10.517 -8.009 1.00 0.00 O ATOM 0 H GLU A 150 6.911 8.394 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 150 4.020 8.186 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 150 5.338 8.222 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.663 7.810 -7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 150 3.900 10.277 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.961 10.451 -8.026 1.00 0.00 H new ATOM 1126 N ILE A 151 4.642 5.806 -5.060 1.00 0.00 N ATOM 1127 CA ILE A 151 4.848 4.369 -4.923 1.00 0.00 C ATOM 1128 C ILE A 151 3.905 3.592 -5.841 1.00 0.00 C ATOM 1129 O ILE A 151 2.692 3.572 -5.629 1.00 0.00 O ATOM 1130 CB ILE A 151 4.652 3.908 -3.455 1.00 0.00 C ATOM 1131 CG1 ILE A 151 5.946 4.104 -2.664 1.00 0.00 C ATOM 1132 CG2 ILE A 151 4.213 2.451 -3.387 1.00 0.00 C ATOM 1133 CD1 ILE A 151 5.773 4.915 -1.400 1.00 0.00 C ATOM 0 H ILE A 151 4.087 6.227 -4.315 1.00 0.00 H new ATOM 0 HA ILE A 151 5.877 4.160 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 151 3.865 4.519 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 151 6.353 3.127 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 151 6.680 4.596 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 151 4.084 2.158 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 151 3.268 2.331 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.972 1.820 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.734 5.010 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.396 5.906 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 151 5.064 4.414 -0.740 1.00 0.00 H new ATOM 1145 N HIS A 152 4.475 2.946 -6.852 1.00 0.00 N ATOM 1146 CA HIS A 152 3.692 2.154 -7.795 1.00 0.00 C ATOM 1147 C HIS A 152 3.918 0.670 -7.547 1.00 0.00 C ATOM 1148 O HIS A 152 5.030 0.170 -7.706 1.00 0.00 O ATOM 1149 CB HIS A 152 4.068 2.513 -9.234 1.00 0.00 C ATOM 1150 CG HIS A 152 2.887 2.664 -10.141 1.00 0.00 C ATOM 1151 ND1 HIS A 152 1.565 2.762 -9.866 1.00 0.00 N flip ATOM 1152 CD2 HIS A 152 2.995 2.728 -11.515 1.00 0.00 C flip ATOM 1153 CE1 HIS A 152 0.907 2.882 -11.065 1.00 0.00 C flip ATOM 1154 NE2 HIS A 152 1.791 2.860 -12.044 1.00 0.00 N flip ATOM 0 H HIS A 152 5.477 2.955 -7.040 1.00 0.00 H new ATOM 0 HA HIS A 152 2.636 2.379 -7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.635 3.444 -9.231 1.00 0.00 H new ATOM 0 HB3 HIS A 152 4.726 1.740 -9.633 1.00 0.00 H new ATOM 0 HD2 HIS A 152 3.919 2.678 -12.071 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -0.162 2.979 -11.187 1.00 0.00 H new ATOM 0 HE2 HIS A 152 1.581 2.933 -13.040 1.00 0.00 H new ATOM 1163 N MET A 153 2.863 -0.029 -7.144 1.00 0.00 N ATOM 1164 CA MET A 153 2.967 -1.456 -6.862 1.00 0.00 C ATOM 1165 C MET A 153 1.787 -2.231 -7.433 1.00 0.00 C ATOM 1166 O MET A 153 0.740 -1.661 -7.736 1.00 0.00 O ATOM 1167 CB MET A 153 3.046 -1.682 -5.352 1.00 0.00 C ATOM 1168 CG MET A 153 1.907 -1.041 -4.580 1.00 0.00 C ATOM 1169 SD MET A 153 2.381 -0.575 -2.905 1.00 0.00 S ATOM 1170 CE MET A 153 1.374 -1.701 -1.943 1.00 0.00 C ATOM 0 H MET A 153 1.932 0.365 -7.006 1.00 0.00 H new ATOM 0 HA MET A 153 3.875 -1.824 -7.341 1.00 0.00 H new ATOM 0 HB2 MET A 153 3.050 -2.754 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 153 3.992 -1.286 -4.983 1.00 0.00 H new ATOM 0 HG2 MET A 153 1.563 -0.156 -5.116 1.00 0.00 H new ATOM 0 HG3 MET A 153 1.067 -1.734 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 153 1.390 -1.399 -0.896 1.00 0.00 H new ATOM 0 HE2 MET A 153 0.349 -1.678 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 153 1.770 -2.712 -2.035 1.00 0.00 H new ATOM 1180 N LYS A 154 1.965 -3.543 -7.559 1.00 0.00 N ATOM 1181 CA LYS A 154 0.917 -4.416 -8.073 1.00 0.00 C ATOM 1182 C LYS A 154 0.288 -5.197 -6.926 1.00 0.00 C ATOM 1183 O LYS A 154 0.946 -5.470 -5.922 1.00 0.00 O ATOM 1184 CB LYS A 154 1.485 -5.379 -9.121 1.00 0.00 C ATOM 1185 CG LYS A 154 1.094 -5.020 -10.546 1.00 0.00 C ATOM 1186 CD LYS A 154 2.310 -4.946 -11.457 1.00 0.00 C ATOM 1187 CE LYS A 154 2.143 -3.876 -12.523 1.00 0.00 C ATOM 1188 NZ LYS A 154 3.453 -3.417 -13.060 1.00 0.00 N ATOM 0 H LYS A 154 2.829 -4.025 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 154 0.152 -3.803 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 154 2.572 -5.390 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 154 1.139 -6.389 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 154 0.395 -5.763 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 154 0.575 -4.061 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 154 3.199 -4.733 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 154 2.469 -5.914 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 154 1.534 -4.268 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 154 1.605 -3.026 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 3.295 -2.688 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 4.025 -3.020 -12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 3.956 -4.223 -13.484 1.00 0.00 H new ATOM 1202 N THR A 155 -0.988 -5.541 -7.064 1.00 0.00 N ATOM 1203 CA THR A 155 -1.679 -6.272 -6.010 1.00 0.00 C ATOM 1204 C THR A 155 -2.711 -7.244 -6.569 1.00 0.00 C ATOM 1205 O THR A 155 -3.303 -7.012 -7.625 1.00 0.00 O ATOM 1206 CB THR A 155 -2.369 -5.293 -5.063 1.00 0.00 C ATOM 1207 OG1 THR A 155 -3.124 -4.341 -5.789 1.00 0.00 O ATOM 1208 CG2 THR A 155 -1.406 -4.534 -4.180 1.00 0.00 C ATOM 0 H THR A 155 -1.557 -5.329 -7.883 1.00 0.00 H new ATOM 0 HA THR A 155 -0.929 -6.851 -5.471 1.00 0.00 H new ATOM 0 HB THR A 155 -3.009 -5.908 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 155 -3.064 -4.538 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 155 -1.963 -3.857 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 155 -0.841 -5.238 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 155 -0.719 -3.959 -4.801 1.00 0.00 H new ATOM 1216 N MET A 156 -2.929 -8.324 -5.830 1.00 0.00 N ATOM 1217 CA MET A 156 -3.899 -9.345 -6.211 1.00 0.00 C ATOM 1218 C MET A 156 -4.577 -9.922 -4.971 1.00 0.00 C ATOM 1219 O MET A 156 -3.954 -10.046 -3.919 1.00 0.00 O ATOM 1220 CB MET A 156 -3.237 -10.473 -7.014 1.00 0.00 C ATOM 1221 CG MET A 156 -1.768 -10.702 -6.679 1.00 0.00 C ATOM 1222 SD MET A 156 -0.698 -10.599 -8.128 1.00 0.00 S ATOM 1223 CE MET A 156 -1.164 -8.999 -8.784 1.00 0.00 C ATOM 0 H MET A 156 -2.442 -8.517 -4.955 1.00 0.00 H new ATOM 0 HA MET A 156 -4.649 -8.870 -6.844 1.00 0.00 H new ATOM 0 HB2 MET A 156 -3.786 -11.398 -6.839 1.00 0.00 H new ATOM 0 HB3 MET A 156 -3.324 -10.246 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 156 -1.448 -9.964 -5.943 1.00 0.00 H new ATOM 0 HG3 MET A 156 -1.654 -11.683 -6.217 1.00 0.00 H new ATOM 0 HE1 MET A 156 -0.680 -8.846 -9.749 1.00 0.00 H new ATOM 0 HE2 MET A 156 -2.246 -8.959 -8.911 1.00 0.00 H new ATOM 0 HE3 MET A 156 -0.850 -8.217 -8.093 1.00 0.00 H new ATOM 1233 N PRO A 157 -5.868 -10.278 -5.072 1.00 0.00 N ATOM 1234 CA PRO A 157 -6.622 -10.838 -3.945 1.00 0.00 C ATOM 1235 C PRO A 157 -5.901 -12.007 -3.279 1.00 0.00 C ATOM 1236 O PRO A 157 -5.795 -13.091 -3.852 1.00 0.00 O ATOM 1237 CB PRO A 157 -7.924 -11.315 -4.593 1.00 0.00 C ATOM 1238 CG PRO A 157 -8.086 -10.451 -5.795 1.00 0.00 C ATOM 1239 CD PRO A 157 -6.694 -10.161 -6.290 1.00 0.00 C ATOM 0 HA PRO A 157 -6.765 -10.106 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 157 -7.867 -12.368 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 157 -8.768 -11.208 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 157 -8.675 -10.955 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 157 -8.611 -9.529 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 157 -6.384 -10.871 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 157 -6.623 -9.166 -6.730 1.00 0.00 H new ATOM 1247 N ALA A 158 -5.406 -11.780 -2.063 1.00 0.00 N ATOM 1248 CA ALA A 158 -4.696 -12.816 -1.315 1.00 0.00 C ATOM 1249 C ALA A 158 -5.459 -14.138 -1.336 1.00 0.00 C ATOM 1250 O ALA A 158 -4.805 -15.200 -1.259 1.00 0.00 O ATOM 1251 CB ALA A 158 -4.459 -12.369 0.121 1.00 0.00 C ATOM 1252 OXT ALA A 158 -6.703 -14.100 -1.430 1.00 0.00 O ATOM 0 H ALA A 158 -5.484 -10.888 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 158 -3.733 -12.974 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -3.929 -13.152 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.861 -11.458 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -5.417 -12.177 0.605 1.00 0.00 H new