USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 477 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 101 SER OG : rot 72:sc= -0.133 USER MOD Set 1.2: A 135 GLN :FLIP amide:sc= -0.908 F(o=-6.1!,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.251) USER MOD Single : A 97 ASN : amide:sc= -2.42 K(o=-2.4,f=-12!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -1.47! C(o=-1.5!,f=-7.9!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 111:sc= 1.2 USER MOD Single : A 111 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= -0.036 (180deg=-0.441) USER MOD Single : A 117 THR OG1 : rot -81:sc= -1.62 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc=-0.00488 K(o=-0.0049,f=-1.8!) USER MOD Single : A 138 TYR OH : rot 130:sc= -3.19! USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 144 MET CE :methyl -148:sc= -1.47 (180deg=-4.25!) USER MOD Single : A 145 MET CE :methyl 163:sc=-0.00565 (180deg=-0.386) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.862 14.348 -0.550 1.00 0.00 N ATOM 53 CA GLU A 82 6.780 13.700 0.183 1.00 0.00 C ATOM 54 C GLU A 82 5.503 13.681 -0.659 1.00 0.00 C ATOM 55 O GLU A 82 4.585 12.893 -0.409 1.00 0.00 O ATOM 56 CB GLU A 82 6.535 14.461 1.491 1.00 0.00 C ATOM 57 CG GLU A 82 5.569 13.679 2.381 1.00 0.00 C ATOM 58 CD GLU A 82 5.366 14.421 3.698 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.146 15.619 3.654 1.00 0.00 O ATOM 60 OE2 GLU A 82 5.439 13.780 4.735 1.00 0.00 O ATOM 0 HA GLU A 82 7.061 12.670 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.479 14.615 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.125 15.448 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.613 13.553 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.963 12.681 2.572 1.00 0.00 H new ATOM 67 N GLU A 83 5.451 14.560 -1.658 1.00 0.00 N ATOM 68 CA GLU A 83 4.291 14.652 -2.530 1.00 0.00 C ATOM 69 C GLU A 83 4.084 13.356 -3.306 1.00 0.00 C ATOM 70 O GLU A 83 2.967 12.839 -3.361 1.00 0.00 O ATOM 71 CB GLU A 83 4.477 15.813 -3.511 1.00 0.00 C ATOM 72 CG GLU A 83 4.352 17.143 -2.763 1.00 0.00 C ATOM 73 CD GLU A 83 5.564 17.352 -1.861 1.00 0.00 C ATOM 74 OE1 GLU A 83 6.593 16.754 -2.134 1.00 0.00 O ATOM 75 OE2 GLU A 83 5.446 18.102 -0.907 1.00 0.00 O ATOM 0 H GLU A 83 6.200 15.216 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 83 3.410 14.826 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.454 15.744 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.729 15.757 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.273 17.964 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.440 17.150 -2.167 1.00 0.00 H new ATOM 82 N GLU A 84 5.150 12.827 -3.908 1.00 0.00 N ATOM 83 CA GLU A 84 5.015 11.589 -4.670 1.00 0.00 C ATOM 84 C GLU A 84 4.296 10.557 -3.821 1.00 0.00 C ATOM 85 O GLU A 84 3.361 9.908 -4.279 1.00 0.00 O ATOM 86 CB GLU A 84 6.380 11.039 -5.097 1.00 0.00 C ATOM 87 CG GLU A 84 6.170 9.804 -5.984 1.00 0.00 C ATOM 88 CD GLU A 84 7.513 9.252 -6.451 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.499 9.959 -6.326 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.535 8.128 -6.927 1.00 0.00 O ATOM 0 H GLU A 84 6.090 13.223 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 84 4.442 11.804 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.939 11.801 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.970 10.775 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.627 9.038 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.558 10.067 -6.847 1.00 0.00 H new ATOM 97 N ILE A 85 4.731 10.404 -2.577 1.00 0.00 N ATOM 98 CA ILE A 85 4.109 9.441 -1.683 1.00 0.00 C ATOM 99 C ILE A 85 2.612 9.715 -1.606 1.00 0.00 C ATOM 100 O ILE A 85 1.795 8.811 -1.766 1.00 0.00 O ATOM 101 CB ILE A 85 4.728 9.589 -0.289 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.243 9.389 -0.382 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.139 8.554 0.672 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.884 9.697 0.973 1.00 0.00 C ATOM 0 H ILE A 85 5.504 10.929 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 85 4.271 8.429 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 85 4.506 10.587 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.467 8.364 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.660 10.041 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.590 8.674 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.061 8.699 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.346 7.551 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.963 9.554 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.671 10.729 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.476 9.027 1.729 1.00 0.00 H new ATOM 116 N ARG A 86 2.258 10.969 -1.369 1.00 0.00 N ATOM 117 CA ARG A 86 0.850 11.336 -1.279 1.00 0.00 C ATOM 118 C ARG A 86 0.120 11.026 -2.589 1.00 0.00 C ATOM 119 O ARG A 86 -1.039 10.613 -2.583 1.00 0.00 O ATOM 120 CB ARG A 86 0.705 12.826 -0.939 1.00 0.00 C ATOM 121 CG ARG A 86 1.078 13.067 0.532 1.00 0.00 C ATOM 122 CD ARG A 86 0.682 14.489 0.948 1.00 0.00 C ATOM 123 NE ARG A 86 1.575 15.485 0.357 1.00 0.00 N ATOM 124 CZ ARG A 86 2.684 15.879 0.987 1.00 0.00 C ATOM 125 NH1 ARG A 86 3.014 15.342 2.132 1.00 0.00 N ATOM 126 NH2 ARG A 86 3.440 16.807 0.463 1.00 0.00 N ATOM 0 H ARG A 86 2.913 11.740 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 86 0.398 10.745 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.348 13.420 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.319 13.151 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.573 12.340 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.149 12.923 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.344 14.688 0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.709 14.573 2.034 1.00 0.00 H new ATOM 0 HE ARG A 86 1.346 15.886 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.424 14.620 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.862 15.645 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.183 17.231 -0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.287 17.107 0.945 1.00 0.00 H new ATOM 140 N GLU A 87 0.805 11.207 -3.710 1.00 0.00 N ATOM 141 CA GLU A 87 0.201 10.931 -5.013 1.00 0.00 C ATOM 142 C GLU A 87 0.161 9.427 -5.296 1.00 0.00 C ATOM 143 O GLU A 87 -0.906 8.830 -5.437 1.00 0.00 O ATOM 144 CB GLU A 87 1.004 11.632 -6.112 1.00 0.00 C ATOM 145 CG GLU A 87 0.849 13.146 -5.969 1.00 0.00 C ATOM 146 CD GLU A 87 1.730 13.861 -6.987 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.389 13.177 -7.754 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.738 15.080 -6.982 1.00 0.00 O ATOM 0 H GLU A 87 1.768 11.540 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.822 11.308 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.056 11.355 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.655 11.311 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.193 13.428 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.123 13.454 -4.960 1.00 0.00 H new ATOM 155 N ALA A 88 1.345 8.841 -5.403 1.00 0.00 N ATOM 156 CA ALA A 88 1.479 7.417 -5.702 1.00 0.00 C ATOM 157 C ALA A 88 0.450 6.604 -4.928 1.00 0.00 C ATOM 158 O ALA A 88 -0.317 5.841 -5.515 1.00 0.00 O ATOM 159 CB ALA A 88 2.887 6.935 -5.346 1.00 0.00 C ATOM 0 H ALA A 88 2.233 9.330 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 88 1.307 7.275 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.976 5.873 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.621 7.493 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.069 7.096 -4.283 1.00 0.00 H new ATOM 165 N PHE A 89 0.433 6.768 -3.613 1.00 0.00 N ATOM 166 CA PHE A 89 -0.514 6.040 -2.782 1.00 0.00 C ATOM 167 C PHE A 89 -1.954 6.468 -3.077 1.00 0.00 C ATOM 168 O PHE A 89 -2.847 5.623 -3.161 1.00 0.00 O ATOM 169 CB PHE A 89 -0.168 6.243 -1.306 1.00 0.00 C ATOM 170 CG PHE A 89 0.963 5.308 -0.933 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.734 3.927 -0.902 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.237 5.810 -0.644 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.773 3.052 -0.578 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.278 4.931 -0.324 1.00 0.00 C ATOM 175 CZ PHE A 89 3.045 3.555 -0.291 1.00 0.00 C ATOM 0 H PHE A 89 1.058 7.392 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.440 4.978 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.124 7.278 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.041 6.045 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.248 3.538 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.417 6.875 -0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.594 1.987 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.262 5.317 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.849 2.878 -0.043 1.00 0.00 H new ATOM 185 N ARG A 90 -2.188 7.768 -3.255 1.00 0.00 N ATOM 186 CA ARG A 90 -3.534 8.229 -3.561 1.00 0.00 C ATOM 187 C ARG A 90 -4.056 7.507 -4.805 1.00 0.00 C ATOM 188 O ARG A 90 -5.207 7.073 -4.848 1.00 0.00 O ATOM 189 CB ARG A 90 -3.533 9.752 -3.788 1.00 0.00 C ATOM 190 CG ARG A 90 -3.641 10.500 -2.444 1.00 0.00 C ATOM 191 CD ARG A 90 -5.109 10.601 -2.018 1.00 0.00 C ATOM 192 NE ARG A 90 -5.241 11.450 -0.838 1.00 0.00 N ATOM 193 CZ ARG A 90 -6.272 11.314 -0.004 1.00 0.00 C ATOM 194 NH1 ARG A 90 -7.183 10.406 -0.236 1.00 0.00 N ATOM 195 NH2 ARG A 90 -6.375 12.089 1.042 1.00 0.00 N ATOM 0 H ARG A 90 -1.481 8.501 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.189 8.004 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.619 10.048 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.367 10.030 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.067 9.976 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.211 11.497 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.704 11.009 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.501 9.607 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.533 12.159 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.105 9.802 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.972 10.301 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.666 12.800 1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.165 11.984 1.679 1.00 0.00 H new ATOM 209 N VAL A 91 -3.198 7.378 -5.808 1.00 0.00 N ATOM 210 CA VAL A 91 -3.571 6.701 -7.047 1.00 0.00 C ATOM 211 C VAL A 91 -3.855 5.217 -6.794 1.00 0.00 C ATOM 212 O VAL A 91 -4.808 4.658 -7.340 1.00 0.00 O ATOM 213 CB VAL A 91 -2.449 6.842 -8.082 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.790 6.025 -9.332 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.299 8.315 -8.468 1.00 0.00 C ATOM 0 H VAL A 91 -2.241 7.731 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.478 7.168 -7.430 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.516 6.475 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.989 6.129 -10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.900 4.975 -9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.723 6.389 -9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.502 8.419 -9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.235 8.677 -8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.053 8.900 -7.582 1.00 0.00 H new ATOM 225 N PHE A 92 -3.016 4.582 -5.976 1.00 0.00 N ATOM 226 CA PHE A 92 -3.182 3.157 -5.679 1.00 0.00 C ATOM 227 C PHE A 92 -4.613 2.865 -5.235 1.00 0.00 C ATOM 228 O PHE A 92 -5.267 1.973 -5.778 1.00 0.00 O ATOM 229 CB PHE A 92 -2.191 2.727 -4.573 1.00 0.00 C ATOM 230 CG PHE A 92 -0.882 2.276 -5.189 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.351 2.954 -6.294 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.204 1.175 -4.654 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.857 2.528 -6.863 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.003 0.750 -5.221 1.00 0.00 C ATOM 235 CZ PHE A 92 1.533 1.427 -6.326 1.00 0.00 C ATOM 0 H PHE A 92 -2.223 5.024 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.975 2.589 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.013 3.558 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.622 1.918 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.872 3.805 -6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.613 0.652 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.266 3.050 -7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.525 -0.100 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.464 1.099 -6.764 1.00 0.00 H new ATOM 245 N ASP A 93 -5.102 3.614 -4.254 1.00 0.00 N ATOM 246 CA ASP A 93 -6.461 3.402 -3.773 1.00 0.00 C ATOM 247 C ASP A 93 -7.415 3.339 -4.963 1.00 0.00 C ATOM 248 O ASP A 93 -7.880 4.367 -5.456 1.00 0.00 O ATOM 249 CB ASP A 93 -6.863 4.541 -2.832 1.00 0.00 C ATOM 250 CG ASP A 93 -8.110 4.157 -2.039 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.464 2.987 -2.050 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.689 5.039 -1.425 1.00 0.00 O ATOM 0 H ASP A 93 -4.589 4.360 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.511 2.462 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.043 4.764 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.054 5.447 -3.407 1.00 0.00 H new ATOM 257 N LYS A 94 -7.672 2.122 -5.438 1.00 0.00 N ATOM 258 CA LYS A 94 -8.540 1.926 -6.595 1.00 0.00 C ATOM 259 C LYS A 94 -9.913 2.562 -6.350 1.00 0.00 C ATOM 260 O LYS A 94 -10.354 3.426 -7.109 1.00 0.00 O ATOM 261 CB LYS A 94 -8.686 0.401 -6.869 1.00 0.00 C ATOM 262 CG LYS A 94 -8.186 0.036 -8.280 1.00 0.00 C ATOM 263 CD LYS A 94 -6.653 -0.037 -8.284 1.00 0.00 C ATOM 264 CE LYS A 94 -6.154 -0.234 -9.716 1.00 0.00 C ATOM 265 NZ LYS A 94 -6.603 -1.562 -10.221 1.00 0.00 N ATOM 0 H LYS A 94 -7.294 1.262 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.097 2.409 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.122 -0.160 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.731 0.109 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.606 -0.921 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.526 0.780 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.234 0.878 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.316 -0.860 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.537 0.559 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.066 -0.171 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.078 -1.800 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.424 -2.287 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.621 -1.527 -10.432 1.00 0.00 H new ATOM 279 N ASP A 95 -10.582 2.117 -5.294 1.00 0.00 N ATOM 280 CA ASP A 95 -11.903 2.636 -4.961 1.00 0.00 C ATOM 281 C ASP A 95 -11.785 4.029 -4.350 1.00 0.00 C ATOM 282 O ASP A 95 -12.742 4.551 -3.778 1.00 0.00 O ATOM 283 CB ASP A 95 -12.591 1.691 -3.974 1.00 0.00 C ATOM 284 CG ASP A 95 -12.811 0.332 -4.632 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.955 0.300 -5.843 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.828 -0.657 -3.917 1.00 0.00 O ATOM 0 H ASP A 95 -10.234 1.401 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.498 2.704 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.980 1.578 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.546 2.112 -3.658 1.00 0.00 H new ATOM 291 N GLY A 96 -10.601 4.621 -4.496 1.00 0.00 N ATOM 292 CA GLY A 96 -10.333 5.964 -3.979 1.00 0.00 C ATOM 293 C GLY A 96 -11.105 6.241 -2.689 1.00 0.00 C ATOM 294 O GLY A 96 -11.740 7.287 -2.550 1.00 0.00 O ATOM 0 H GLY A 96 -9.808 4.190 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.265 6.076 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.605 6.704 -4.731 1.00 0.00 H new ATOM 298 N ASN A 97 -11.058 5.295 -1.754 1.00 0.00 N ATOM 299 CA ASN A 97 -11.770 5.445 -0.486 1.00 0.00 C ATOM 300 C ASN A 97 -10.910 6.175 0.545 1.00 0.00 C ATOM 301 O ASN A 97 -11.301 6.305 1.704 1.00 0.00 O ATOM 302 CB ASN A 97 -12.172 4.069 0.055 1.00 0.00 C ATOM 303 CG ASN A 97 -10.936 3.226 0.343 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.810 3.712 0.251 1.00 0.00 O ATOM 305 ND2 ASN A 97 -11.083 1.977 0.695 1.00 0.00 N ATOM 0 H ASN A 97 -10.539 4.422 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.665 6.040 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.759 4.187 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.807 3.558 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.263 1.403 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.017 1.575 0.771 1.00 0.00 H new ATOM 312 N GLY A 98 -9.748 6.664 0.114 1.00 0.00 N ATOM 313 CA GLY A 98 -8.859 7.397 1.013 1.00 0.00 C ATOM 314 C GLY A 98 -8.105 6.459 1.951 1.00 0.00 C ATOM 315 O GLY A 98 -7.700 6.857 3.043 1.00 0.00 O ATOM 0 H GLY A 98 -9.403 6.567 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.145 7.976 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.441 8.108 1.600 1.00 0.00 H new ATOM 319 N TYR A 99 -7.920 5.216 1.523 1.00 0.00 N ATOM 320 CA TYR A 99 -7.210 4.229 2.335 1.00 0.00 C ATOM 321 C TYR A 99 -6.589 3.163 1.436 1.00 0.00 C ATOM 322 O TYR A 99 -6.838 3.147 0.231 1.00 0.00 O ATOM 323 CB TYR A 99 -8.172 3.586 3.334 1.00 0.00 C ATOM 324 CG TYR A 99 -8.779 4.666 4.201 1.00 0.00 C ATOM 325 CD1 TYR A 99 -8.014 5.267 5.209 1.00 0.00 C ATOM 326 CD2 TYR A 99 -10.104 5.070 3.996 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.572 6.271 6.007 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.662 6.074 4.796 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.895 6.675 5.801 1.00 0.00 C ATOM 330 OH TYR A 99 -10.445 7.667 6.587 1.00 0.00 O ATOM 0 H TYR A 99 -8.249 4.866 0.623 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.414 4.728 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.956 3.043 2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.643 2.861 3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.993 4.955 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.696 4.607 3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.981 6.735 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.684 6.385 4.638 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.372 7.827 6.311 1.00 0.00 H new ATOM 340 N ILE A 100 -5.767 2.281 2.020 1.00 0.00 N ATOM 341 CA ILE A 100 -5.105 1.223 1.240 1.00 0.00 C ATOM 342 C ILE A 100 -5.467 -0.167 1.758 1.00 0.00 C ATOM 343 O ILE A 100 -5.289 -0.460 2.949 1.00 0.00 O ATOM 344 CB ILE A 100 -3.586 1.398 1.318 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.186 2.781 0.765 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.895 0.291 0.510 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.628 2.939 -0.699 1.00 0.00 C ATOM 0 H ILE A 100 -5.546 2.277 3.016 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.447 1.309 0.209 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.272 1.330 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.640 3.564 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.106 2.907 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.814 0.419 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.168 -0.682 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.212 0.349 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.333 3.923 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.153 2.169 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.711 2.837 -0.765 1.00 0.00 H new ATOM 359 N SER A 101 -5.970 -1.017 0.845 1.00 0.00 N ATOM 360 CA SER A 101 -6.356 -2.392 1.173 1.00 0.00 C ATOM 361 C SER A 101 -5.342 -3.377 0.593 1.00 0.00 C ATOM 362 O SER A 101 -4.460 -2.991 -0.175 1.00 0.00 O ATOM 363 CB SER A 101 -7.737 -2.694 0.597 1.00 0.00 C ATOM 364 OG SER A 101 -8.179 -3.954 1.085 1.00 0.00 O ATOM 0 H SER A 101 -6.118 -0.768 -0.133 1.00 0.00 H new ATOM 0 HA SER A 101 -6.381 -2.498 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.442 -1.913 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.696 -2.706 -0.492 1.00 0.00 H new ATOM 0 HG SER A 101 -8.404 -3.876 2.036 1.00 0.00 H new ATOM 370 N ALA A 102 -5.464 -4.645 0.976 1.00 0.00 N ATOM 371 CA ALA A 102 -4.543 -5.681 0.503 1.00 0.00 C ATOM 372 C ALA A 102 -4.854 -6.141 -0.922 1.00 0.00 C ATOM 373 O ALA A 102 -3.938 -6.464 -1.682 1.00 0.00 O ATOM 374 CB ALA A 102 -4.583 -6.878 1.459 1.00 0.00 C ATOM 0 H ALA A 102 -6.188 -4.982 1.610 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.544 -5.245 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.897 -7.648 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.285 -6.557 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.595 -7.282 1.495 1.00 0.00 H new ATOM 380 N ALA A 103 -6.128 -6.189 -1.281 1.00 0.00 N ATOM 381 CA ALA A 103 -6.516 -6.634 -2.615 1.00 0.00 C ATOM 382 C ALA A 103 -5.957 -5.714 -3.698 1.00 0.00 C ATOM 383 O ALA A 103 -5.634 -6.157 -4.806 1.00 0.00 O ATOM 384 CB ALA A 103 -8.042 -6.667 -2.718 1.00 0.00 C ATOM 0 H ALA A 103 -6.906 -5.928 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.105 -7.631 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.332 -6.999 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.442 -7.357 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.440 -5.669 -2.538 1.00 0.00 H new ATOM 390 N GLU A 104 -5.870 -4.434 -3.389 1.00 0.00 N ATOM 391 CA GLU A 104 -5.376 -3.463 -4.348 1.00 0.00 C ATOM 392 C GLU A 104 -3.902 -3.695 -4.663 1.00 0.00 C ATOM 393 O GLU A 104 -3.459 -3.441 -5.782 1.00 0.00 O ATOM 394 CB GLU A 104 -5.550 -2.058 -3.778 1.00 0.00 C ATOM 395 CG GLU A 104 -7.024 -1.824 -3.462 1.00 0.00 C ATOM 396 CD GLU A 104 -7.203 -0.458 -2.810 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.205 0.225 -2.638 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.329 -0.117 -2.486 1.00 0.00 O ATOM 0 H GLU A 104 -6.134 -4.043 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.947 -3.574 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.949 -1.942 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.197 -1.316 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.615 -1.881 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.391 -2.605 -2.797 1.00 0.00 H new ATOM 405 N LEU A 105 -3.143 -4.163 -3.675 1.00 0.00 N ATOM 406 CA LEU A 105 -1.718 -4.393 -3.886 1.00 0.00 C ATOM 407 C LEU A 105 -1.474 -5.507 -4.891 1.00 0.00 C ATOM 408 O LEU A 105 -0.699 -5.345 -5.829 1.00 0.00 O ATOM 409 CB LEU A 105 -1.047 -4.766 -2.569 1.00 0.00 C ATOM 410 CG LEU A 105 -1.422 -3.766 -1.477 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.559 -4.046 -0.244 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.183 -2.334 -1.973 1.00 0.00 C ATOM 0 H LEU A 105 -3.482 -4.386 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.294 -3.468 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.350 -5.770 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.035 -4.785 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.477 -3.871 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.814 -3.340 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.741 -5.063 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.494 -3.935 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.453 -1.627 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.131 -2.208 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.795 -2.148 -2.855 1.00 0.00 H new ATOM 424 N ARG A 106 -2.126 -6.644 -4.698 1.00 0.00 N ATOM 425 CA ARG A 106 -1.932 -7.760 -5.604 1.00 0.00 C ATOM 426 C ARG A 106 -2.390 -7.406 -7.013 1.00 0.00 C ATOM 427 O ARG A 106 -1.694 -7.709 -7.981 1.00 0.00 O ATOM 428 CB ARG A 106 -2.673 -8.994 -5.081 1.00 0.00 C ATOM 429 CG ARG A 106 -4.142 -8.654 -4.835 1.00 0.00 C ATOM 430 CD ARG A 106 -4.855 -9.861 -4.234 1.00 0.00 C ATOM 431 NE ARG A 106 -6.282 -9.597 -4.132 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.064 -10.327 -3.343 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.554 -11.300 -2.633 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.345 -10.073 -3.274 1.00 0.00 N ATOM 0 H ARG A 106 -2.782 -6.815 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.867 -7.987 -5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.595 -9.808 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.211 -9.341 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.220 -7.801 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.620 -8.366 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.683 -10.741 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.446 -10.081 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.690 -8.837 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.555 -11.499 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.155 -11.859 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.745 -9.314 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.944 -10.634 -2.668 1.00 0.00 H new ATOM 448 N HIS A 107 -3.555 -6.772 -7.140 1.00 0.00 N ATOM 449 CA HIS A 107 -4.067 -6.404 -8.457 1.00 0.00 C ATOM 450 C HIS A 107 -3.229 -5.303 -9.110 1.00 0.00 C ATOM 451 O HIS A 107 -2.822 -5.428 -10.266 1.00 0.00 O ATOM 452 CB HIS A 107 -5.517 -5.930 -8.314 1.00 0.00 C ATOM 453 CG HIS A 107 -6.070 -5.509 -9.651 1.00 0.00 C ATOM 454 ND1 HIS A 107 -5.289 -5.420 -10.792 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.335 -5.133 -10.035 1.00 0.00 C ATOM 456 CE1 HIS A 107 -6.081 -5.001 -11.795 1.00 0.00 C ATOM 457 NE2 HIS A 107 -7.338 -4.810 -11.388 1.00 0.00 N ATOM 0 H HIS A 107 -4.154 -6.506 -6.358 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.013 -7.283 -9.100 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.128 -6.731 -7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.565 -5.095 -7.615 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.294 -5.634 -10.859 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.196 -5.094 -9.385 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.741 -4.839 -12.807 1.00 0.00 H new ATOM 466 N VAL A 108 -2.992 -4.217 -8.382 1.00 0.00 N ATOM 467 CA VAL A 108 -2.222 -3.108 -8.940 1.00 0.00 C ATOM 468 C VAL A 108 -0.798 -3.548 -9.286 1.00 0.00 C ATOM 469 O VAL A 108 -0.309 -3.269 -10.377 1.00 0.00 O ATOM 470 CB VAL A 108 -2.215 -1.915 -7.969 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.191 -2.134 -6.860 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.871 -0.630 -8.732 1.00 0.00 C ATOM 0 H VAL A 108 -3.314 -4.080 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.702 -2.789 -9.865 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.205 -1.825 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.200 -1.280 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.442 -3.039 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.198 -2.240 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.867 0.213 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.886 -0.730 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.615 -0.458 -9.510 1.00 0.00 H new ATOM 482 N MET A 109 -0.132 -4.228 -8.355 1.00 0.00 N ATOM 483 CA MET A 109 1.233 -4.682 -8.602 1.00 0.00 C ATOM 484 C MET A 109 1.268 -5.619 -9.805 1.00 0.00 C ATOM 485 O MET A 109 2.119 -5.482 -10.686 1.00 0.00 O ATOM 486 CB MET A 109 1.779 -5.396 -7.365 1.00 0.00 C ATOM 487 CG MET A 109 1.894 -4.396 -6.208 1.00 0.00 C ATOM 488 SD MET A 109 3.307 -3.299 -6.494 1.00 0.00 S ATOM 489 CE MET A 109 3.754 -3.045 -4.760 1.00 0.00 C ATOM 0 H MET A 109 -0.507 -4.473 -7.439 1.00 0.00 H new ATOM 0 HA MET A 109 1.858 -3.815 -8.815 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.120 -6.218 -7.086 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.755 -5.830 -7.583 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.977 -3.812 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.018 -4.928 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.619 -2.385 -4.700 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.915 -2.593 -4.231 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.997 -4.004 -4.303 1.00 0.00 H new ATOM 499 N THR A 110 0.324 -6.551 -9.851 1.00 0.00 N ATOM 500 CA THR A 110 0.243 -7.484 -10.970 1.00 0.00 C ATOM 501 C THR A 110 -0.030 -6.713 -12.257 1.00 0.00 C ATOM 502 O THR A 110 0.581 -6.966 -13.296 1.00 0.00 O ATOM 503 CB THR A 110 -0.876 -8.498 -10.720 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.567 -9.264 -9.565 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.008 -9.428 -11.927 1.00 0.00 C ATOM 0 H THR A 110 -0.390 -6.681 -9.134 1.00 0.00 H new ATOM 0 HA THR A 110 1.189 -8.018 -11.065 1.00 0.00 H new ATOM 0 HB THR A 110 -1.817 -7.969 -10.568 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.185 -9.029 -8.842 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.805 -10.149 -11.746 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.244 -8.841 -12.815 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.068 -9.958 -12.082 1.00 0.00 H new ATOM 513 N ASN A 111 -0.950 -5.760 -12.162 1.00 0.00 N ATOM 514 CA ASN A 111 -1.312 -4.922 -13.301 1.00 0.00 C ATOM 515 C ASN A 111 -0.120 -4.078 -13.732 1.00 0.00 C ATOM 516 O ASN A 111 0.106 -3.850 -14.920 1.00 0.00 O ATOM 517 CB ASN A 111 -2.475 -4.009 -12.922 1.00 0.00 C ATOM 518 CG ASN A 111 -2.833 -3.103 -14.096 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.694 -3.546 -15.317 1.00 0.00 O flip ATOM 520 ND2 ASN A 111 -3.246 -1.959 -13.897 1.00 0.00 N flip ATOM 0 H ASN A 111 -1.461 -5.547 -11.305 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.611 -5.564 -14.129 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.340 -4.608 -12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.206 -3.405 -12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.354 -1.615 -12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.480 -1.357 -14.686 1.00 0.00 H new ATOM 527 N LEU A 112 0.642 -3.630 -12.744 1.00 0.00 N ATOM 528 CA LEU A 112 1.823 -2.822 -13.002 1.00 0.00 C ATOM 529 C LEU A 112 2.831 -3.633 -13.804 1.00 0.00 C ATOM 530 O LEU A 112 3.540 -3.092 -14.652 1.00 0.00 O ATOM 531 CB LEU A 112 2.452 -2.351 -11.680 1.00 0.00 C ATOM 532 CG LEU A 112 1.717 -1.094 -11.154 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.921 -0.968 -9.635 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.275 0.166 -11.839 1.00 0.00 C ATOM 0 H LEU A 112 0.463 -3.813 -11.757 1.00 0.00 H new ATOM 0 HA LEU A 112 1.532 -1.942 -13.576 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.398 -3.149 -10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.508 -2.127 -11.831 1.00 0.00 H new ATOM 0 HG LEU A 112 0.654 -1.191 -11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.402 -0.082 -9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.521 -1.853 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.985 -0.880 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.753 1.046 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.340 0.256 -11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.129 0.089 -12.916 1.00 0.00 H new ATOM 546 N GLY A 113 2.891 -4.938 -13.536 1.00 0.00 N ATOM 547 CA GLY A 113 3.819 -5.821 -14.249 1.00 0.00 C ATOM 548 C GLY A 113 4.535 -6.761 -13.284 1.00 0.00 C ATOM 549 O GLY A 113 5.294 -7.632 -13.704 1.00 0.00 O ATOM 0 H GLY A 113 2.314 -5.405 -12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.273 -6.404 -14.991 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.552 -5.223 -14.790 1.00 0.00 H new ATOM 553 N GLU A 114 4.281 -6.582 -11.987 1.00 0.00 N ATOM 554 CA GLU A 114 4.903 -7.424 -10.959 1.00 0.00 C ATOM 555 C GLU A 114 3.841 -8.238 -10.224 1.00 0.00 C ATOM 556 O GLU A 114 3.036 -7.688 -9.472 1.00 0.00 O ATOM 557 CB GLU A 114 5.656 -6.544 -9.961 1.00 0.00 C ATOM 558 CG GLU A 114 6.861 -5.904 -10.655 1.00 0.00 C ATOM 559 CD GLU A 114 7.558 -4.934 -9.707 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.110 -4.815 -8.579 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.527 -4.321 -10.124 1.00 0.00 O ATOM 0 H GLU A 114 3.653 -5.866 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 114 5.600 -8.109 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.995 -5.771 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.987 -7.140 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.559 -6.677 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.536 -5.377 -11.552 1.00 0.00 H new ATOM 568 N LYS A 115 3.841 -9.551 -10.450 1.00 0.00 N ATOM 569 CA LYS A 115 2.870 -10.436 -9.808 1.00 0.00 C ATOM 570 C LYS A 115 3.413 -10.968 -8.487 1.00 0.00 C ATOM 571 O LYS A 115 4.139 -11.964 -8.454 1.00 0.00 O ATOM 572 CB LYS A 115 2.546 -11.606 -10.740 1.00 0.00 C ATOM 573 CG LYS A 115 1.451 -12.477 -10.118 1.00 0.00 C ATOM 574 CD LYS A 115 1.086 -13.603 -11.089 1.00 0.00 C ATOM 575 CE LYS A 115 -0.003 -14.485 -10.471 1.00 0.00 C ATOM 576 NZ LYS A 115 -1.251 -13.690 -10.302 1.00 0.00 N ATOM 0 H LYS A 115 4.499 -10.024 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 115 1.963 -9.866 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.218 -11.231 -11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.442 -12.202 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.796 -12.895 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.571 -11.872 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.736 -13.184 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.968 -14.202 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.193 -15.348 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 115 0.329 -14.869 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.061 -14.334 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.170 -13.092 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.395 -13.088 -11.138 1.00 0.00 H new ATOM 590 N LEU A 116 3.053 -10.296 -7.400 1.00 0.00 N ATOM 591 CA LEU A 116 3.500 -10.697 -6.070 1.00 0.00 C ATOM 592 C LEU A 116 2.709 -11.907 -5.587 1.00 0.00 C ATOM 593 O LEU A 116 1.924 -12.488 -6.334 1.00 0.00 O ATOM 594 CB LEU A 116 3.311 -9.534 -5.086 1.00 0.00 C ATOM 595 CG LEU A 116 4.417 -8.491 -5.288 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.487 -8.088 -6.764 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.109 -7.255 -4.435 1.00 0.00 C ATOM 0 H LEU A 116 2.453 -9.471 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 116 4.556 -10.963 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.334 -9.074 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.333 -9.906 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 116 5.374 -8.916 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.274 -7.347 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.705 -8.967 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.531 -7.663 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.893 -6.511 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.150 -6.834 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.064 -7.540 -3.384 1.00 0.00 H new ATOM 609 N THR A 117 2.915 -12.275 -4.325 1.00 0.00 N ATOM 610 CA THR A 117 2.206 -13.409 -3.733 1.00 0.00 C ATOM 611 C THR A 117 1.036 -12.906 -2.892 1.00 0.00 C ATOM 612 O THR A 117 1.211 -12.074 -2.001 1.00 0.00 O ATOM 613 CB THR A 117 3.165 -14.231 -2.860 1.00 0.00 C ATOM 614 OG1 THR A 117 3.993 -13.351 -2.114 1.00 0.00 O ATOM 615 CG2 THR A 117 4.042 -15.122 -3.743 1.00 0.00 C ATOM 0 H THR A 117 3.565 -11.807 -3.693 1.00 0.00 H new ATOM 0 HA THR A 117 1.823 -14.045 -4.531 1.00 0.00 H new ATOM 0 HB THR A 117 2.584 -14.857 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.732 -13.040 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.719 -15.702 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.410 -15.799 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.622 -14.500 -4.425 1.00 0.00 H new ATOM 623 N ASP A 118 -0.160 -13.400 -3.198 1.00 0.00 N ATOM 624 CA ASP A 118 -1.360 -12.979 -2.483 1.00 0.00 C ATOM 625 C ASP A 118 -1.214 -13.225 -0.990 1.00 0.00 C ATOM 626 O ASP A 118 -1.625 -12.405 -0.170 1.00 0.00 O ATOM 627 CB ASP A 118 -2.571 -13.759 -2.999 1.00 0.00 C ATOM 628 CG ASP A 118 -3.861 -13.107 -2.514 1.00 0.00 C ATOM 629 OD1 ASP A 118 -3.783 -12.008 -1.985 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.907 -13.715 -2.674 1.00 0.00 O ATOM 0 H ASP A 118 -0.324 -14.089 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.501 -11.912 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.557 -13.788 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.523 -14.791 -2.652 1.00 0.00 H new ATOM 635 N GLU A 119 -0.637 -14.364 -0.644 1.00 0.00 N ATOM 636 CA GLU A 119 -0.455 -14.718 0.754 1.00 0.00 C ATOM 637 C GLU A 119 0.477 -13.724 1.441 1.00 0.00 C ATOM 638 O GLU A 119 0.295 -13.397 2.617 1.00 0.00 O ATOM 639 CB GLU A 119 0.129 -16.126 0.854 1.00 0.00 C ATOM 640 CG GLU A 119 -0.787 -17.102 0.111 1.00 0.00 C ATOM 641 CD GLU A 119 -0.298 -18.535 0.306 1.00 0.00 C ATOM 642 OE1 GLU A 119 0.620 -18.726 1.086 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.850 -19.421 -0.326 1.00 0.00 O ATOM 0 H GLU A 119 -0.288 -15.056 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.424 -14.688 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.131 -16.149 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.224 -16.421 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.809 -17.005 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.806 -16.858 -0.951 1.00 0.00 H new ATOM 650 N GLU A 120 1.453 -13.213 0.695 1.00 0.00 N ATOM 651 CA GLU A 120 2.380 -12.232 1.246 1.00 0.00 C ATOM 652 C GLU A 120 1.697 -10.875 1.342 1.00 0.00 C ATOM 653 O GLU A 120 1.837 -10.164 2.337 1.00 0.00 O ATOM 654 CB GLU A 120 3.623 -12.114 0.367 1.00 0.00 C ATOM 655 CG GLU A 120 4.636 -11.182 1.039 1.00 0.00 C ATOM 656 CD GLU A 120 5.905 -11.094 0.198 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.875 -11.549 -0.934 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.889 -10.573 0.697 1.00 0.00 O ATOM 0 H GLU A 120 1.621 -13.459 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 120 2.682 -12.562 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.066 -13.098 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.352 -11.727 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.203 -10.189 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.876 -11.551 2.036 1.00 0.00 H new ATOM 665 N VAL A 121 0.950 -10.526 0.296 1.00 0.00 N ATOM 666 CA VAL A 121 0.237 -9.256 0.263 1.00 0.00 C ATOM 667 C VAL A 121 -0.710 -9.180 1.454 1.00 0.00 C ATOM 668 O VAL A 121 -0.592 -8.301 2.308 1.00 0.00 O ATOM 669 CB VAL A 121 -0.555 -9.171 -1.056 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.675 -8.135 -0.955 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.392 -8.785 -2.199 1.00 0.00 C ATOM 0 H VAL A 121 0.825 -11.104 -0.535 1.00 0.00 H new ATOM 0 HA VAL A 121 0.939 -8.424 0.319 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.000 -10.146 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.219 -8.094 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.359 -8.415 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.247 -7.156 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.169 -8.725 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.845 -7.817 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.174 -9.538 -2.294 1.00 0.00 H new ATOM 681 N ASP A 122 -1.648 -10.111 1.495 1.00 0.00 N ATOM 682 CA ASP A 122 -2.616 -10.149 2.578 1.00 0.00 C ATOM 683 C ASP A 122 -1.886 -10.085 3.911 1.00 0.00 C ATOM 684 O ASP A 122 -2.293 -9.356 4.816 1.00 0.00 O ATOM 685 CB ASP A 122 -3.443 -11.436 2.495 1.00 0.00 C ATOM 686 CG ASP A 122 -4.472 -11.471 3.619 1.00 0.00 C ATOM 687 OD1 ASP A 122 -5.115 -10.458 3.840 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.599 -12.510 4.246 1.00 0.00 O ATOM 0 H ASP A 122 -1.760 -10.846 0.796 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.287 -9.294 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.946 -11.493 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.787 -12.304 2.565 1.00 0.00 H new ATOM 693 N GLU A 123 -0.798 -10.841 4.025 1.00 0.00 N ATOM 694 CA GLU A 123 -0.021 -10.839 5.253 1.00 0.00 C ATOM 695 C GLU A 123 0.691 -9.493 5.432 1.00 0.00 C ATOM 696 O GLU A 123 0.859 -9.019 6.551 1.00 0.00 O ATOM 697 CB GLU A 123 1.010 -11.970 5.232 1.00 0.00 C ATOM 698 CG GLU A 123 1.573 -12.171 6.640 1.00 0.00 C ATOM 699 CD GLU A 123 0.511 -12.793 7.542 1.00 0.00 C ATOM 700 OE1 GLU A 123 -0.535 -13.157 7.029 1.00 0.00 O ATOM 701 OE2 GLU A 123 0.758 -12.897 8.733 1.00 0.00 O ATOM 0 H GLU A 123 -0.441 -11.453 3.292 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.702 -10.994 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.548 -12.892 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.815 -11.730 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.451 -12.815 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.897 -11.215 7.051 1.00 0.00 H new ATOM 708 N MET A 124 1.121 -8.896 4.318 1.00 0.00 N ATOM 709 CA MET A 124 1.835 -7.614 4.356 1.00 0.00 C ATOM 710 C MET A 124 1.077 -6.571 5.176 1.00 0.00 C ATOM 711 O MET A 124 1.542 -6.147 6.234 1.00 0.00 O ATOM 712 CB MET A 124 2.042 -7.079 2.935 1.00 0.00 C ATOM 713 CG MET A 124 3.068 -5.944 2.958 1.00 0.00 C ATOM 714 SD MET A 124 4.723 -6.628 3.234 1.00 0.00 S ATOM 715 CE MET A 124 5.209 -6.775 1.496 1.00 0.00 C ATOM 0 H MET A 124 0.989 -9.277 3.381 1.00 0.00 H new ATOM 0 HA MET A 124 2.800 -7.794 4.830 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.386 -7.880 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.096 -6.720 2.530 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.042 -5.397 2.015 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.821 -5.233 3.746 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.217 -7.185 1.434 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.515 -7.438 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.188 -5.791 1.028 1.00 0.00 H new ATOM 725 N ILE A 125 -0.084 -6.150 4.681 1.00 0.00 N ATOM 726 CA ILE A 125 -0.884 -5.144 5.373 1.00 0.00 C ATOM 727 C ILE A 125 -1.227 -5.598 6.789 1.00 0.00 C ATOM 728 O ILE A 125 -1.231 -4.795 7.721 1.00 0.00 O ATOM 729 CB ILE A 125 -2.177 -4.859 4.565 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.814 -4.056 3.295 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.199 -4.069 5.403 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.090 -3.569 2.593 1.00 0.00 C ATOM 0 H ILE A 125 -0.490 -6.488 3.808 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.301 -4.226 5.450 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.631 -5.811 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.189 -3.204 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.232 -4.679 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.094 -3.886 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.465 -4.644 6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.763 -3.117 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.821 -3.005 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.700 -4.427 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.656 -2.929 3.270 1.00 0.00 H new ATOM 744 N ARG A 126 -1.542 -6.873 6.943 1.00 0.00 N ATOM 745 CA ARG A 126 -1.922 -7.403 8.245 1.00 0.00 C ATOM 746 C ARG A 126 -0.910 -7.040 9.335 1.00 0.00 C ATOM 747 O ARG A 126 -1.304 -6.718 10.456 1.00 0.00 O ATOM 748 CB ARG A 126 -2.050 -8.930 8.151 1.00 0.00 C ATOM 749 CG ARG A 126 -3.351 -9.315 7.419 1.00 0.00 C ATOM 750 CD ARG A 126 -4.521 -9.359 8.409 1.00 0.00 C ATOM 751 NE ARG A 126 -5.729 -9.831 7.748 1.00 0.00 N ATOM 752 CZ ARG A 126 -6.916 -9.714 8.336 1.00 0.00 C ATOM 753 NH1 ARG A 126 -7.004 -9.162 9.518 1.00 0.00 N ATOM 754 NH2 ARG A 126 -7.995 -10.146 7.735 1.00 0.00 N ATOM 0 H ARG A 126 -1.543 -7.559 6.188 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.876 -6.955 8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.191 -9.342 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.045 -9.364 9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.560 -8.593 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.234 -10.287 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.275 -10.016 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.691 -8.366 8.825 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.664 -10.256 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.164 -8.823 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.913 -9.071 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.928 -10.575 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.903 -10.054 8.190 1.00 0.00 H new ATOM 768 N GLU A 127 0.386 -7.096 9.025 1.00 0.00 N ATOM 769 CA GLU A 127 1.404 -6.765 10.031 1.00 0.00 C ATOM 770 C GLU A 127 1.639 -5.264 10.131 1.00 0.00 C ATOM 771 O GLU A 127 1.860 -4.736 11.219 1.00 0.00 O ATOM 772 CB GLU A 127 2.721 -7.492 9.729 1.00 0.00 C ATOM 773 CG GLU A 127 3.133 -7.259 8.275 1.00 0.00 C ATOM 774 CD GLU A 127 4.573 -7.717 8.063 1.00 0.00 C ATOM 775 OE1 GLU A 127 4.912 -8.785 8.547 1.00 0.00 O ATOM 776 OE2 GLU A 127 5.314 -6.996 7.415 1.00 0.00 O ATOM 0 H GLU A 127 0.752 -7.360 8.110 1.00 0.00 H new ATOM 0 HA GLU A 127 1.026 -7.104 10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.504 -7.134 10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.606 -8.560 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.467 -7.805 7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.038 -6.202 8.026 1.00 0.00 H new ATOM 783 N ALA A 128 1.598 -4.585 8.999 1.00 0.00 N ATOM 784 CA ALA A 128 1.818 -3.145 8.983 1.00 0.00 C ATOM 785 C ALA A 128 0.607 -2.406 9.555 1.00 0.00 C ATOM 786 O ALA A 128 0.728 -1.570 10.452 1.00 0.00 O ATOM 787 CB ALA A 128 2.083 -2.692 7.537 1.00 0.00 C ATOM 0 H ALA A 128 1.416 -5.000 8.085 1.00 0.00 H new ATOM 0 HA ALA A 128 2.681 -2.909 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.249 -1.615 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.966 -3.202 7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.222 -2.938 6.915 1.00 0.00 H new ATOM 793 N ASP A 129 -0.551 -2.706 8.994 1.00 0.00 N ATOM 794 CA ASP A 129 -1.796 -2.062 9.394 1.00 0.00 C ATOM 795 C ASP A 129 -1.858 -1.800 10.887 1.00 0.00 C ATOM 796 O ASP A 129 -1.736 -2.719 11.695 1.00 0.00 O ATOM 797 CB ASP A 129 -2.968 -2.952 8.992 1.00 0.00 C ATOM 798 CG ASP A 129 -4.293 -2.318 9.392 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.704 -2.511 10.520 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.881 -1.658 8.561 1.00 0.00 O ATOM 0 H ASP A 129 -0.658 -3.398 8.253 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.847 -1.097 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.950 -3.119 7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.869 -3.928 9.467 1.00 0.00 H new ATOM 805 N ILE A 130 -2.090 -0.538 11.243 1.00 0.00 N ATOM 806 CA ILE A 130 -2.214 -0.166 12.640 1.00 0.00 C ATOM 807 C ILE A 130 -3.569 -0.636 13.152 1.00 0.00 C ATOM 808 O ILE A 130 -4.342 -1.202 12.387 1.00 0.00 O ATOM 809 CB ILE A 130 -2.021 1.344 12.812 1.00 0.00 C ATOM 810 CG1 ILE A 130 -0.678 1.733 12.189 1.00 0.00 C ATOM 811 CG2 ILE A 130 -2.051 1.728 14.299 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.480 0.931 12.797 1.00 0.00 C ATOM 0 H ILE A 130 -2.194 0.235 10.585 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.435 -0.649 13.230 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.831 1.877 12.315 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.713 1.564 11.113 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.502 2.798 12.339 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.912 2.804 14.400 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.012 1.444 14.729 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.250 1.208 14.825 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.417 1.234 12.330 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.531 1.121 13.869 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.316 -0.133 12.624 1.00 0.00 H new ATOM 824 N ASP A 131 -3.873 -0.367 14.419 1.00 0.00 N ATOM 825 CA ASP A 131 -5.163 -0.761 15.029 1.00 0.00 C ATOM 826 C ASP A 131 -5.669 -2.140 14.547 1.00 0.00 C ATOM 827 O ASP A 131 -6.784 -2.541 14.881 1.00 0.00 O ATOM 828 CB ASP A 131 -6.228 0.297 14.725 1.00 0.00 C ATOM 829 CG ASP A 131 -7.407 0.162 15.692 1.00 0.00 C ATOM 830 OD1 ASP A 131 -7.209 -0.373 16.771 1.00 0.00 O ATOM 831 OD2 ASP A 131 -8.490 0.599 15.338 1.00 0.00 O ATOM 0 H ASP A 131 -3.246 0.125 15.056 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.987 -0.837 16.102 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.794 1.293 14.808 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.577 0.186 13.698 1.00 0.00 H new ATOM 836 N GLY A 132 -4.867 -2.841 13.750 1.00 0.00 N ATOM 837 CA GLY A 132 -5.259 -4.138 13.211 1.00 0.00 C ATOM 838 C GLY A 132 -6.681 -4.090 12.652 1.00 0.00 C ATOM 839 O GLY A 132 -7.563 -4.818 13.113 1.00 0.00 O ATOM 0 H GLY A 132 -3.939 -2.530 13.463 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.565 -4.434 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.197 -4.895 13.993 1.00 0.00 H new ATOM 843 N ASP A 133 -6.906 -3.222 11.657 1.00 0.00 N ATOM 844 CA ASP A 133 -8.232 -3.079 11.044 1.00 0.00 C ATOM 845 C ASP A 133 -8.249 -3.619 9.607 1.00 0.00 C ATOM 846 O ASP A 133 -9.293 -4.045 9.115 1.00 0.00 O ATOM 847 CB ASP A 133 -8.641 -1.605 11.055 1.00 0.00 C ATOM 848 CG ASP A 133 -7.751 -0.808 10.110 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.553 -1.037 10.123 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.282 0.019 9.389 1.00 0.00 O ATOM 0 H ASP A 133 -6.191 -2.612 11.261 1.00 0.00 H new ATOM 0 HA ASP A 133 -8.944 -3.665 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.684 -1.507 10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.562 -1.205 12.066 1.00 0.00 H new ATOM 855 N GLY A 134 -7.089 -3.614 8.941 1.00 0.00 N ATOM 856 CA GLY A 134 -6.993 -4.122 7.563 1.00 0.00 C ATOM 857 C GLY A 134 -6.820 -2.988 6.547 1.00 0.00 C ATOM 858 O GLY A 134 -6.747 -3.231 5.343 1.00 0.00 O ATOM 0 H GLY A 134 -6.210 -3.268 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.150 -4.809 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -7.891 -4.691 7.322 1.00 0.00 H new ATOM 862 N GLN A 135 -6.752 -1.756 7.039 1.00 0.00 N ATOM 863 CA GLN A 135 -6.580 -0.582 6.170 1.00 0.00 C ATOM 864 C GLN A 135 -5.480 0.300 6.729 1.00 0.00 C ATOM 865 O GLN A 135 -5.396 0.494 7.942 1.00 0.00 O ATOM 866 CB GLN A 135 -7.884 0.218 6.091 1.00 0.00 C ATOM 867 CG GLN A 135 -8.962 -0.600 5.374 1.00 0.00 C ATOM 868 CD GLN A 135 -8.542 -0.884 3.934 1.00 0.00 C ATOM 869 OE1 GLN A 135 -8.464 -2.121 3.525 1.00 0.00 O flip ATOM 870 NE2 GLN A 135 -8.267 0.040 3.169 1.00 0.00 N flip ATOM 0 H GLN A 135 -6.813 -1.537 8.033 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.312 -0.919 5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.221 0.478 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.714 1.154 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.128 -1.538 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.907 -0.057 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -8.329 1.005 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -7.977 -0.160 2.212 1.00 0.00 H new ATOM 879 N VAL A 136 -4.632 0.845 5.855 1.00 0.00 N ATOM 880 CA VAL A 136 -3.535 1.701 6.319 1.00 0.00 C ATOM 881 C VAL A 136 -3.401 2.962 5.457 1.00 0.00 C ATOM 882 O VAL A 136 -3.507 2.910 4.227 1.00 0.00 O ATOM 883 CB VAL A 136 -2.207 0.880 6.330 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.509 -0.616 6.219 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.296 1.269 5.162 1.00 0.00 C ATOM 0 H VAL A 136 -4.679 0.715 4.844 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.756 2.035 7.333 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.701 1.101 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.575 -1.177 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.127 -0.926 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.041 -0.812 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.381 0.678 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.811 1.079 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.047 2.328 5.232 1.00 0.00 H new ATOM 895 N ASN A 137 -3.156 4.087 6.122 1.00 0.00 N ATOM 896 CA ASN A 137 -2.988 5.358 5.431 1.00 0.00 C ATOM 897 C ASN A 137 -1.713 5.322 4.588 1.00 0.00 C ATOM 898 O ASN A 137 -1.286 4.254 4.149 1.00 0.00 O ATOM 899 CB ASN A 137 -2.918 6.504 6.440 1.00 0.00 C ATOM 900 CG ASN A 137 -4.235 6.601 7.203 1.00 0.00 C ATOM 901 OD1 ASN A 137 -5.223 5.976 6.817 1.00 0.00 O ATOM 902 ND2 ASN A 137 -4.311 7.358 8.264 1.00 0.00 N ATOM 0 H ASN A 137 -3.070 4.143 7.137 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.845 5.522 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.095 6.339 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.716 7.443 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.190 7.433 8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.491 7.875 8.582 1.00 0.00 H new ATOM 909 N TYR A 138 -1.118 6.485 4.341 1.00 0.00 N ATOM 910 CA TYR A 138 0.093 6.549 3.523 1.00 0.00 C ATOM 911 C TYR A 138 1.345 6.130 4.304 1.00 0.00 C ATOM 912 O TYR A 138 2.073 5.238 3.881 1.00 0.00 O ATOM 913 CB TYR A 138 0.275 7.979 3.000 1.00 0.00 C ATOM 914 CG TYR A 138 -1.083 8.573 2.701 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.936 7.933 1.799 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.491 9.752 3.338 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.200 8.469 1.529 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.755 10.290 3.066 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.610 9.647 2.163 1.00 0.00 C ATOM 920 OH TYR A 138 -4.858 10.174 1.899 1.00 0.00 O ATOM 0 H TYR A 138 -1.447 7.386 4.689 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.029 5.849 2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.796 8.586 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 138 0.890 7.975 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.620 7.024 1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.832 10.245 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.859 7.974 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.070 11.201 3.553 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.318 10.364 2.743 1.00 0.00 H new ATOM 930 N GLU A 139 1.583 6.781 5.442 1.00 0.00 N ATOM 931 CA GLU A 139 2.760 6.474 6.262 1.00 0.00 C ATOM 932 C GLU A 139 2.781 4.996 6.616 1.00 0.00 C ATOM 933 O GLU A 139 3.670 4.247 6.168 1.00 0.00 O ATOM 934 CB GLU A 139 2.745 7.322 7.533 1.00 0.00 C ATOM 935 CG GLU A 139 2.837 8.807 7.160 1.00 0.00 C ATOM 936 CD GLU A 139 4.177 9.100 6.489 1.00 0.00 C ATOM 937 OE1 GLU A 139 5.086 8.302 6.655 1.00 0.00 O ATOM 938 OE2 GLU A 139 4.274 10.113 5.816 1.00 0.00 O ATOM 0 H GLU A 139 0.985 7.517 5.817 1.00 0.00 H new ATOM 0 HA GLU A 139 3.659 6.708 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.832 7.134 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.580 7.046 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.020 9.072 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.727 9.421 8.054 1.00 0.00 H new ATOM 945 N GLU A 140 1.811 4.597 7.453 1.00 0.00 N ATOM 946 CA GLU A 140 1.686 3.204 7.903 1.00 0.00 C ATOM 947 C GLU A 140 2.144 2.254 6.788 1.00 0.00 C ATOM 948 O GLU A 140 2.625 1.152 7.045 1.00 0.00 O ATOM 949 CB GLU A 140 0.222 2.887 8.244 1.00 0.00 C ATOM 950 CG GLU A 140 -0.236 3.695 9.462 1.00 0.00 C ATOM 951 CD GLU A 140 -1.724 3.465 9.718 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.281 2.564 9.110 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.285 4.202 10.516 1.00 0.00 O ATOM 0 H GLU A 140 1.100 5.222 7.832 1.00 0.00 H new ATOM 0 HA GLU A 140 2.308 3.070 8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.414 3.116 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.113 1.821 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.341 3.403 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -0.048 4.756 9.296 1.00 0.00 H new ATOM 960 N PHE A 141 2.007 2.725 5.546 1.00 0.00 N ATOM 961 CA PHE A 141 2.426 1.963 4.375 1.00 0.00 C ATOM 962 C PHE A 141 3.879 2.271 4.021 1.00 0.00 C ATOM 963 O PHE A 141 4.695 1.362 3.852 1.00 0.00 O ATOM 964 CB PHE A 141 1.534 2.322 3.175 1.00 0.00 C ATOM 965 CG PHE A 141 1.518 1.175 2.190 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.684 0.818 1.498 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.341 0.457 1.983 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.662 -0.259 0.605 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.318 -0.609 1.096 1.00 0.00 C ATOM 970 CZ PHE A 141 1.477 -0.976 0.404 1.00 0.00 C ATOM 0 H PHE A 141 1.606 3.637 5.328 1.00 0.00 H new ATOM 0 HA PHE A 141 2.333 0.902 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.521 2.537 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.906 3.225 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.597 1.373 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.557 0.732 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.559 -0.537 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.599 -1.158 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.457 -1.809 -0.283 1.00 0.00 H new ATOM 980 N VAL A 142 4.175 3.570 3.878 1.00 0.00 N ATOM 981 CA VAL A 142 5.519 4.022 3.500 1.00 0.00 C ATOM 982 C VAL A 142 6.579 3.103 4.079 1.00 0.00 C ATOM 983 O VAL A 142 7.370 2.522 3.337 1.00 0.00 O ATOM 984 CB VAL A 142 5.758 5.457 3.993 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.244 5.826 3.861 1.00 0.00 C ATOM 986 CG2 VAL A 142 4.920 6.434 3.153 1.00 0.00 C ATOM 0 H VAL A 142 3.503 4.324 4.018 1.00 0.00 H new ATOM 0 HA VAL A 142 5.589 3.999 2.413 1.00 0.00 H new ATOM 0 HB VAL A 142 5.465 5.521 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.398 6.846 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.844 5.140 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.545 5.754 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.089 7.452 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.212 6.357 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.863 6.187 3.254 1.00 0.00 H new ATOM 996 N GLN A 143 6.612 2.996 5.404 1.00 0.00 N ATOM 997 CA GLN A 143 7.622 2.158 6.054 1.00 0.00 C ATOM 998 C GLN A 143 7.836 0.862 5.269 1.00 0.00 C ATOM 999 O GLN A 143 8.904 0.647 4.695 1.00 0.00 O ATOM 1000 CB GLN A 143 7.181 1.828 7.484 1.00 0.00 C ATOM 1001 CG GLN A 143 7.152 3.112 8.312 1.00 0.00 C ATOM 1002 CD GLN A 143 6.646 2.815 9.720 1.00 0.00 C ATOM 1003 OE1 GLN A 143 5.702 2.044 9.890 1.00 0.00 O ATOM 1004 NE2 GLN A 143 7.218 3.387 10.745 1.00 0.00 N ATOM 0 H GLN A 143 5.968 3.466 6.040 1.00 0.00 H new ATOM 0 HA GLN A 143 8.563 2.708 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.194 1.365 7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.867 1.108 7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.151 3.546 8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.507 3.849 7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.000 4.026 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.883 3.195 11.689 1.00 0.00 H new ATOM 1013 N MET A 144 6.825 0.004 5.253 1.00 0.00 N ATOM 1014 CA MET A 144 6.930 -1.265 4.537 1.00 0.00 C ATOM 1015 C MET A 144 7.554 -1.057 3.157 1.00 0.00 C ATOM 1016 O MET A 144 8.455 -1.796 2.758 1.00 0.00 O ATOM 1017 CB MET A 144 5.542 -1.889 4.366 1.00 0.00 C ATOM 1018 CG MET A 144 4.986 -2.318 5.723 1.00 0.00 C ATOM 1019 SD MET A 144 5.977 -3.681 6.395 1.00 0.00 S ATOM 1020 CE MET A 144 5.236 -3.732 8.051 1.00 0.00 C ATOM 0 H MET A 144 5.932 0.158 5.721 1.00 0.00 H new ATOM 0 HA MET A 144 7.565 -1.931 5.121 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.868 -1.171 3.899 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.602 -2.750 3.700 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.997 -1.474 6.413 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.947 -2.630 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.988 -4.043 8.777 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.865 -2.741 8.314 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.410 -4.443 8.058 1.00 0.00 H new ATOM 1030 N MET A 145 7.066 -0.059 2.428 1.00 0.00 N ATOM 1031 CA MET A 145 7.582 0.220 1.094 1.00 0.00 C ATOM 1032 C MET A 145 9.070 0.557 1.155 1.00 0.00 C ATOM 1033 O MET A 145 9.521 1.260 2.060 1.00 0.00 O ATOM 1034 CB MET A 145 6.798 1.380 0.477 1.00 0.00 C ATOM 1035 CG MET A 145 7.182 1.540 -0.995 1.00 0.00 C ATOM 1036 SD MET A 145 6.040 2.698 -1.800 1.00 0.00 S ATOM 1037 CE MET A 145 6.633 4.218 -1.015 1.00 0.00 C ATOM 0 H MET A 145 6.320 0.565 2.735 1.00 0.00 H new ATOM 0 HA MET A 145 7.460 -0.667 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.727 1.195 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.008 2.302 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.205 1.907 -1.076 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.149 0.573 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.280 5.081 -1.580 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.254 4.272 0.005 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.723 4.217 -0.997 1.00 0.00 H new