USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 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 94 LYS NZ :NH3+ -178:sc= 0.0378 (180deg=-0.476) USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= 0.239 F(o=-3.7,f=0.28) USER MOD Single : A 97 ASN : amide:sc= -0.0641 X(o=-0.064,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.331 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 96:sc= 1.18 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= -1.74 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.825 K(o=-0.82,f=-2.7!) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.94! C(o=-13!,f=-1.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.89) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 160:sc= -0.0308 (180deg=-0.594) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.183 14.516 0.354 1.00 0.00 N ATOM 53 CA GLU A 82 6.240 13.448 0.674 1.00 0.00 C ATOM 54 C GLU A 82 5.079 13.450 -0.325 1.00 0.00 C ATOM 55 O GLU A 82 4.179 12.619 -0.256 1.00 0.00 O ATOM 56 CB GLU A 82 5.711 13.656 2.100 1.00 0.00 C ATOM 57 CG GLU A 82 4.970 12.402 2.576 1.00 0.00 C ATOM 58 CD GLU A 82 4.612 12.530 4.052 1.00 0.00 C ATOM 59 OE1 GLU A 82 4.727 13.626 4.578 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.227 11.532 4.636 1.00 0.00 O ATOM 0 HA GLU A 82 6.747 12.485 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.538 13.877 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.041 14.515 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.065 12.260 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.593 11.521 2.421 1.00 0.00 H new ATOM 67 N GLU A 83 5.099 14.419 -1.244 1.00 0.00 N ATOM 68 CA GLU A 83 4.042 14.555 -2.237 1.00 0.00 C ATOM 69 C GLU A 83 3.944 13.322 -3.139 1.00 0.00 C ATOM 70 O GLU A 83 2.867 12.748 -3.289 1.00 0.00 O ATOM 71 CB GLU A 83 4.287 15.817 -3.068 1.00 0.00 C ATOM 72 CG GLU A 83 4.089 17.054 -2.179 1.00 0.00 C ATOM 73 CD GLU A 83 2.615 17.218 -1.814 1.00 0.00 C ATOM 74 OE1 GLU A 83 1.799 16.512 -2.383 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.322 18.054 -0.973 1.00 0.00 O ATOM 0 H GLU A 83 5.838 15.119 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 83 3.089 14.641 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.297 15.807 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.600 15.849 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.686 16.957 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.442 17.944 -2.700 1.00 0.00 H new ATOM 82 N GLU A 84 5.054 12.896 -3.736 1.00 0.00 N ATOM 83 CA GLU A 84 5.012 11.712 -4.597 1.00 0.00 C ATOM 84 C GLU A 84 4.313 10.575 -3.856 1.00 0.00 C ATOM 85 O GLU A 84 3.348 9.994 -4.353 1.00 0.00 O ATOM 86 CB GLU A 84 6.433 11.273 -4.980 1.00 0.00 C ATOM 87 CG GLU A 84 6.365 10.179 -6.056 1.00 0.00 C ATOM 88 CD GLU A 84 5.894 10.765 -7.384 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.765 11.976 -7.464 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.667 9.992 -8.303 1.00 0.00 O ATOM 0 H GLU A 84 5.970 13.336 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 84 4.464 11.957 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.000 12.127 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.958 10.900 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.347 9.722 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.684 9.390 -5.738 1.00 0.00 H new ATOM 97 N ILE A 85 4.792 10.288 -2.650 1.00 0.00 N ATOM 98 CA ILE A 85 4.197 9.237 -1.838 1.00 0.00 C ATOM 99 C ILE A 85 2.689 9.452 -1.752 1.00 0.00 C ATOM 100 O ILE A 85 1.903 8.533 -1.998 1.00 0.00 O ATOM 101 CB ILE A 85 4.795 9.274 -0.426 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.291 8.931 -0.473 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.097 8.249 0.477 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.937 9.259 0.882 1.00 0.00 C ATOM 0 H ILE A 85 5.583 10.765 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 85 4.404 8.269 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 85 4.653 10.279 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.425 7.875 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.779 9.496 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.533 8.287 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.034 8.481 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.228 7.250 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.999 9.015 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.815 10.321 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.456 8.674 1.666 1.00 0.00 H new ATOM 116 N ARG A 86 2.299 10.669 -1.407 1.00 0.00 N ATOM 117 CA ARG A 86 0.885 11.005 -1.285 1.00 0.00 C ATOM 118 C ARG A 86 0.140 10.708 -2.591 1.00 0.00 C ATOM 119 O ARG A 86 -1.030 10.313 -2.572 1.00 0.00 O ATOM 120 CB ARG A 86 0.741 12.490 -0.908 1.00 0.00 C ATOM 121 CG ARG A 86 1.093 12.673 0.577 1.00 0.00 C ATOM 122 CD ARG A 86 1.028 14.151 0.969 1.00 0.00 C ATOM 123 NE ARG A 86 -0.346 14.641 0.871 1.00 0.00 N ATOM 124 CZ ARG A 86 -0.620 15.937 0.821 1.00 0.00 C ATOM 125 NH1 ARG A 86 0.340 16.811 0.780 1.00 0.00 N ATOM 126 NH2 ARG A 86 -1.868 16.330 0.801 1.00 0.00 N ATOM 0 H ARG A 86 2.937 11.439 -1.207 1.00 0.00 H new ATOM 0 HA ARG A 86 0.442 10.391 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.399 13.100 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.278 12.828 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.403 12.097 1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.093 12.284 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.396 14.281 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.677 14.736 0.318 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.113 13.969 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.312 16.502 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.122 17.807 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.620 15.641 0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.089 17.325 0.763 1.00 0.00 H new ATOM 140 N GLU A 87 0.823 10.885 -3.720 1.00 0.00 N ATOM 141 CA GLU A 87 0.215 10.627 -5.029 1.00 0.00 C ATOM 142 C GLU A 87 0.172 9.124 -5.336 1.00 0.00 C ATOM 143 O GLU A 87 -0.900 8.521 -5.374 1.00 0.00 O ATOM 144 CB GLU A 87 1.014 11.353 -6.117 1.00 0.00 C ATOM 145 CG GLU A 87 0.860 12.868 -5.939 1.00 0.00 C ATOM 146 CD GLU A 87 1.726 13.604 -6.956 1.00 0.00 C ATOM 147 OE1 GLU A 87 1.500 13.424 -8.141 1.00 0.00 O ATOM 148 OE2 GLU A 87 2.603 14.343 -6.535 1.00 0.00 O ATOM 0 H GLU A 87 1.791 11.204 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.809 10.999 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.066 11.074 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.660 11.054 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.185 13.153 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.149 13.155 -4.928 1.00 0.00 H new ATOM 155 N ALA A 88 1.345 8.536 -5.555 1.00 0.00 N ATOM 156 CA ALA A 88 1.451 7.109 -5.869 1.00 0.00 C ATOM 157 C ALA A 88 0.423 6.290 -5.088 1.00 0.00 C ATOM 158 O ALA A 88 -0.346 5.524 -5.670 1.00 0.00 O ATOM 159 CB ALA A 88 2.862 6.624 -5.533 1.00 0.00 C ATOM 0 H ALA A 88 2.239 9.025 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 88 1.251 6.973 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.947 5.562 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.589 7.183 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.058 6.780 -4.472 1.00 0.00 H new ATOM 165 N PHE A 89 0.407 6.452 -3.764 1.00 0.00 N ATOM 166 CA PHE A 89 -0.540 5.717 -2.924 1.00 0.00 C ATOM 167 C PHE A 89 -1.986 6.138 -3.217 1.00 0.00 C ATOM 168 O PHE A 89 -2.881 5.294 -3.282 1.00 0.00 O ATOM 169 CB PHE A 89 -0.203 5.939 -1.446 1.00 0.00 C ATOM 170 CG PHE A 89 0.912 4.996 -1.035 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.648 3.626 -0.896 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.197 5.486 -0.797 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.671 2.750 -0.519 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.220 4.609 -0.420 1.00 0.00 C ATOM 175 CZ PHE A 89 2.958 3.244 -0.281 1.00 0.00 C ATOM 0 H PHE A 89 1.031 7.078 -3.255 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.453 4.655 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.102 6.973 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.086 5.766 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.346 3.247 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.402 6.541 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.468 1.695 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.214 4.988 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.750 2.570 0.010 1.00 0.00 H new ATOM 185 N ARG A 90 -2.216 7.439 -3.395 1.00 0.00 N ATOM 186 CA ARG A 90 -3.567 7.918 -3.694 1.00 0.00 C ATOM 187 C ARG A 90 -4.094 7.233 -4.957 1.00 0.00 C ATOM 188 O ARG A 90 -5.239 6.781 -5.002 1.00 0.00 O ATOM 189 CB ARG A 90 -3.556 9.445 -3.878 1.00 0.00 C ATOM 190 CG ARG A 90 -3.865 10.138 -2.537 1.00 0.00 C ATOM 191 CD ARG A 90 -3.807 11.654 -2.703 1.00 0.00 C ATOM 192 NE ARG A 90 -4.058 12.334 -1.431 1.00 0.00 N ATOM 193 CZ ARG A 90 -5.291 12.592 -1.015 1.00 0.00 C ATOM 194 NH1 ARG A 90 -6.310 12.245 -1.743 1.00 0.00 N ATOM 195 NH2 ARG A 90 -5.483 13.215 0.108 1.00 0.00 N ATOM 0 H ARG A 90 -1.503 8.166 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.226 7.673 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.583 9.768 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.294 9.735 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.853 9.841 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.148 9.820 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.829 11.944 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.545 11.971 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.267 12.616 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.162 11.774 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.257 12.444 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.685 13.507 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.432 13.412 0.426 1.00 0.00 H new ATOM 209 N VAL A 91 -3.247 7.154 -5.973 1.00 0.00 N ATOM 210 CA VAL A 91 -3.622 6.520 -7.232 1.00 0.00 C ATOM 211 C VAL A 91 -3.902 5.031 -7.013 1.00 0.00 C ATOM 212 O VAL A 91 -4.874 4.484 -7.535 1.00 0.00 O ATOM 213 CB VAL A 91 -2.492 6.693 -8.251 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.817 5.920 -9.532 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.332 8.178 -8.588 1.00 0.00 C ATOM 0 H VAL A 91 -2.295 7.520 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.527 6.994 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.567 6.308 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.007 6.049 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.930 4.861 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.745 6.298 -9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.528 8.302 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.263 8.558 -9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.091 8.733 -7.681 1.00 0.00 H new ATOM 225 N PHE A 92 -3.034 4.386 -6.243 1.00 0.00 N ATOM 226 CA PHE A 92 -3.173 2.959 -5.966 1.00 0.00 C ATOM 227 C PHE A 92 -4.597 2.621 -5.527 1.00 0.00 C ATOM 228 O PHE A 92 -5.227 1.738 -6.109 1.00 0.00 O ATOM 229 CB PHE A 92 -2.173 2.558 -4.863 1.00 0.00 C ATOM 230 CG PHE A 92 -0.865 2.124 -5.486 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.353 2.815 -6.596 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.175 1.027 -4.967 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.849 2.406 -7.179 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.029 0.619 -5.550 1.00 0.00 C ATOM 235 CZ PHE A 92 1.541 1.308 -6.656 1.00 0.00 C ATOM 0 H PHE A 92 -2.228 4.826 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.962 2.402 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.004 3.399 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.586 1.748 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.888 3.662 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.571 0.494 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.244 2.937 -8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.564 -0.228 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.471 0.992 -7.106 1.00 0.00 H new ATOM 245 N ASP A 93 -5.101 3.323 -4.520 1.00 0.00 N ATOM 246 CA ASP A 93 -6.455 3.073 -4.048 1.00 0.00 C ATOM 247 C ASP A 93 -7.423 3.127 -5.229 1.00 0.00 C ATOM 248 O ASP A 93 -7.957 4.185 -5.565 1.00 0.00 O ATOM 249 CB ASP A 93 -6.845 4.117 -2.999 1.00 0.00 C ATOM 250 CG ASP A 93 -8.155 3.721 -2.322 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.919 2.996 -2.939 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.378 4.157 -1.200 1.00 0.00 O ATOM 0 H ASP A 93 -4.601 4.059 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.502 2.085 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.055 4.207 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.952 5.094 -3.470 1.00 0.00 H new ATOM 257 N LYS A 94 -7.626 1.983 -5.872 1.00 0.00 N ATOM 258 CA LYS A 94 -8.506 1.919 -7.033 1.00 0.00 C ATOM 259 C LYS A 94 -9.820 2.643 -6.767 1.00 0.00 C ATOM 260 O LYS A 94 -10.209 3.537 -7.524 1.00 0.00 O ATOM 261 CB LYS A 94 -8.807 0.429 -7.364 1.00 0.00 C ATOM 262 CG LYS A 94 -8.136 0.019 -8.684 1.00 0.00 C ATOM 263 CD LYS A 94 -6.629 -0.157 -8.459 1.00 0.00 C ATOM 264 CE LYS A 94 -5.931 -0.383 -9.802 1.00 0.00 C ATOM 265 NZ LYS A 94 -6.495 -1.601 -10.449 1.00 0.00 N ATOM 0 H LYS A 94 -7.198 1.094 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.006 2.404 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.449 -0.208 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.884 0.278 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.571 -0.911 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.315 0.778 -9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.219 0.726 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.447 -1.003 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.070 0.484 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.858 -0.500 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.000 -1.778 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.371 -2.418 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.508 -1.458 -10.635 1.00 0.00 H new ATOM 279 N ASP A 95 -10.482 2.245 -5.687 1.00 0.00 N ATOM 280 CA ASP A 95 -11.752 2.844 -5.303 1.00 0.00 C ATOM 281 C ASP A 95 -11.537 4.257 -4.752 1.00 0.00 C ATOM 282 O ASP A 95 -12.418 5.109 -4.859 1.00 0.00 O ATOM 283 CB ASP A 95 -12.395 1.968 -4.227 1.00 0.00 C ATOM 284 CG ASP A 95 -12.831 0.635 -4.832 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.899 0.548 -6.047 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.091 -0.285 -4.069 1.00 0.00 O ATOM 0 H ASP A 95 -10.158 1.508 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.400 2.912 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.687 1.795 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.255 2.480 -3.795 1.00 0.00 H new ATOM 291 N GLY A 96 -10.355 4.490 -4.192 1.00 0.00 N ATOM 292 CA GLY A 96 -10.017 5.808 -3.649 1.00 0.00 C ATOM 293 C GLY A 96 -10.705 6.066 -2.313 1.00 0.00 C ATOM 294 O GLY A 96 -11.314 7.116 -2.121 1.00 0.00 O ATOM 0 H GLY A 96 -9.617 3.792 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.937 5.882 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.307 6.580 -4.362 1.00 0.00 H new ATOM 298 N ASN A 97 -10.620 5.107 -1.389 1.00 0.00 N ATOM 299 CA ASN A 97 -11.267 5.267 -0.082 1.00 0.00 C ATOM 300 C ASN A 97 -10.415 6.129 0.862 1.00 0.00 C ATOM 301 O ASN A 97 -10.789 6.346 2.016 1.00 0.00 O ATOM 302 CB ASN A 97 -11.527 3.898 0.570 1.00 0.00 C ATOM 303 CG ASN A 97 -12.257 2.966 -0.394 1.00 0.00 C ATOM 304 OD1 ASN A 97 -11.882 1.798 -0.537 1.00 0.00 O ATOM 305 ND2 ASN A 97 -13.286 3.403 -1.058 1.00 0.00 N ATOM 0 H ASN A 97 -10.120 4.227 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.218 5.771 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.581 3.448 0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.120 4.028 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.783 2.781 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.597 4.367 -0.941 1.00 0.00 H new ATOM 312 N GLY A 98 -9.290 6.646 0.361 1.00 0.00 N ATOM 313 CA GLY A 98 -8.415 7.507 1.169 1.00 0.00 C ATOM 314 C GLY A 98 -7.374 6.693 1.923 1.00 0.00 C ATOM 315 O GLY A 98 -6.511 7.246 2.606 1.00 0.00 O ATOM 0 H GLY A 98 -8.963 6.487 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.916 8.229 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.017 8.076 1.878 1.00 0.00 H new ATOM 319 N TYR A 99 -7.469 5.377 1.802 1.00 0.00 N ATOM 320 CA TYR A 99 -6.539 4.477 2.479 1.00 0.00 C ATOM 321 C TYR A 99 -6.097 3.387 1.517 1.00 0.00 C ATOM 322 O TYR A 99 -6.325 3.495 0.310 1.00 0.00 O ATOM 323 CB TYR A 99 -7.196 3.873 3.717 1.00 0.00 C ATOM 324 CG TYR A 99 -7.868 4.971 4.511 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.123 5.757 5.398 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.241 5.201 4.355 1.00 0.00 C ATOM 327 CE1 TYR A 99 -7.752 6.774 6.127 1.00 0.00 C ATOM 328 CE2 TYR A 99 -9.868 6.218 5.084 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.124 7.003 5.970 1.00 0.00 C ATOM 330 OH TYR A 99 -9.742 8.008 6.688 1.00 0.00 O ATOM 0 H TYR A 99 -8.180 4.906 1.242 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.662 5.038 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -7.928 3.120 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.449 3.370 4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.065 5.579 5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.816 4.593 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.178 7.382 6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.926 6.396 4.962 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.695 8.034 6.461 1.00 0.00 H new ATOM 340 N ILE A 100 -5.431 2.353 2.034 1.00 0.00 N ATOM 341 CA ILE A 100 -4.932 1.268 1.176 1.00 0.00 C ATOM 342 C ILE A 100 -5.342 -0.119 1.665 1.00 0.00 C ATOM 343 O ILE A 100 -5.065 -0.489 2.817 1.00 0.00 O ATOM 344 CB ILE A 100 -3.406 1.337 1.134 1.00 0.00 C ATOM 345 CG1 ILE A 100 -2.973 2.694 0.553 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.862 0.217 0.246 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.444 2.827 -0.906 1.00 0.00 C ATOM 0 H ILE A 100 -5.225 2.241 3.027 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.372 1.409 0.189 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.014 1.223 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.391 3.503 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.888 2.788 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.774 0.270 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.168 -0.748 0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.256 0.330 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.130 3.792 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.005 2.028 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.531 2.755 -0.946 1.00 0.00 H new ATOM 359 N SER A 101 -5.975 -0.898 0.768 1.00 0.00 N ATOM 360 CA SER A 101 -6.387 -2.273 1.095 1.00 0.00 C ATOM 361 C SER A 101 -5.397 -3.284 0.515 1.00 0.00 C ATOM 362 O SER A 101 -4.546 -2.942 -0.309 1.00 0.00 O ATOM 363 CB SER A 101 -7.781 -2.574 0.549 1.00 0.00 C ATOM 364 OG SER A 101 -8.124 -3.916 0.883 1.00 0.00 O ATOM 0 H SER A 101 -6.210 -0.601 -0.179 1.00 0.00 H new ATOM 0 HA SER A 101 -6.403 -2.359 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.509 -1.882 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.801 -2.437 -0.532 1.00 0.00 H new ATOM 0 HG SER A 101 -9.019 -4.120 0.539 1.00 0.00 H new ATOM 370 N ALA A 102 -5.509 -4.529 0.961 1.00 0.00 N ATOM 371 CA ALA A 102 -4.623 -5.597 0.502 1.00 0.00 C ATOM 372 C ALA A 102 -4.939 -6.026 -0.930 1.00 0.00 C ATOM 373 O ALA A 102 -4.040 -6.382 -1.690 1.00 0.00 O ATOM 374 CB ALA A 102 -4.740 -6.803 1.450 1.00 0.00 C ATOM 0 H ALA A 102 -6.207 -4.827 1.643 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.603 -5.214 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.079 -7.600 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.455 -6.502 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.769 -7.162 1.456 1.00 0.00 H new ATOM 380 N ALA A 103 -6.216 -6.025 -1.273 1.00 0.00 N ATOM 381 CA ALA A 103 -6.646 -6.453 -2.600 1.00 0.00 C ATOM 382 C ALA A 103 -6.051 -5.567 -3.696 1.00 0.00 C ATOM 383 O ALA A 103 -5.766 -6.028 -4.804 1.00 0.00 O ATOM 384 CB ALA A 103 -8.178 -6.419 -2.677 1.00 0.00 C ATOM 0 H ALA A 103 -6.974 -5.734 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.288 -7.470 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.500 -6.739 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.595 -7.090 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.529 -5.404 -2.491 1.00 0.00 H new ATOM 390 N GLU A 104 -5.883 -4.285 -3.402 1.00 0.00 N ATOM 391 CA GLU A 104 -5.343 -3.355 -4.382 1.00 0.00 C ATOM 392 C GLU A 104 -3.882 -3.660 -4.686 1.00 0.00 C ATOM 393 O GLU A 104 -3.423 -3.458 -5.807 1.00 0.00 O ATOM 394 CB GLU A 104 -5.457 -1.922 -3.838 1.00 0.00 C ATOM 395 CG GLU A 104 -6.914 -1.627 -3.466 1.00 0.00 C ATOM 396 CD GLU A 104 -7.012 -0.329 -2.670 1.00 0.00 C ATOM 397 OE1 GLU A 104 -5.972 0.209 -2.325 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.127 0.093 -2.393 1.00 0.00 O ATOM 0 H GLU A 104 -6.111 -3.868 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.915 -3.458 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.817 -1.802 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.111 -1.209 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.518 -1.552 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.319 -2.451 -2.879 1.00 0.00 H new ATOM 405 N LEU A 105 -3.146 -4.124 -3.683 1.00 0.00 N ATOM 406 CA LEU A 105 -1.731 -4.426 -3.866 1.00 0.00 C ATOM 407 C LEU A 105 -1.521 -5.566 -4.868 1.00 0.00 C ATOM 408 O LEU A 105 -0.800 -5.417 -5.845 1.00 0.00 O ATOM 409 CB LEU A 105 -1.110 -4.822 -2.519 1.00 0.00 C ATOM 410 CG LEU A 105 -1.494 -3.797 -1.446 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.745 -4.108 -0.149 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.126 -2.387 -1.918 1.00 0.00 C ATOM 0 H LEU A 105 -3.501 -4.298 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.248 -3.531 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.455 -5.814 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.025 -4.876 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.568 -3.850 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.019 -3.378 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.011 -5.108 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.329 -4.059 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.401 -1.663 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.053 -2.333 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.662 -2.160 -2.840 1.00 0.00 H new ATOM 424 N ARG A 106 -2.148 -6.701 -4.621 1.00 0.00 N ATOM 425 CA ARG A 106 -1.991 -7.843 -5.511 1.00 0.00 C ATOM 426 C ARG A 106 -2.431 -7.489 -6.925 1.00 0.00 C ATOM 427 O ARG A 106 -1.721 -7.787 -7.896 1.00 0.00 O ATOM 428 CB ARG A 106 -2.798 -9.045 -4.987 1.00 0.00 C ATOM 429 CG ARG A 106 -4.302 -8.811 -5.136 1.00 0.00 C ATOM 430 CD ARG A 106 -5.069 -9.903 -4.394 1.00 0.00 C ATOM 431 NE ARG A 106 -6.512 -9.728 -4.572 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.391 -10.577 -4.067 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.995 -11.590 -3.338 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.655 -10.397 -4.286 1.00 0.00 N ATOM 0 H ARG A 106 -2.764 -6.859 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.935 -8.113 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.512 -9.944 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.557 -9.219 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.569 -7.832 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.577 -8.812 -6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.767 -10.883 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.821 -9.873 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.850 -8.925 -5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.001 -11.729 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.680 -12.240 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.968 -9.604 -4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.338 -11.049 -3.899 1.00 0.00 H new ATOM 448 N HIS A 107 -3.598 -6.866 -7.052 1.00 0.00 N ATOM 449 CA HIS A 107 -4.115 -6.502 -8.363 1.00 0.00 C ATOM 450 C HIS A 107 -3.240 -5.455 -9.042 1.00 0.00 C ATOM 451 O HIS A 107 -2.804 -5.654 -10.169 1.00 0.00 O ATOM 452 CB HIS A 107 -5.538 -5.944 -8.201 1.00 0.00 C ATOM 453 CG HIS A 107 -6.119 -5.574 -9.550 1.00 0.00 C ATOM 454 ND1 HIS A 107 -5.921 -4.482 -10.361 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -7.025 -6.386 -10.228 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -6.684 -4.609 -11.518 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -7.329 -5.773 -11.389 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.198 -6.605 -6.270 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.119 -7.395 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.173 -6.686 -7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.520 -5.067 -7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.413 -7.334 -9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.743 -3.915 -12.344 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -7.973 -6.151 -12.084 1.00 0.00 H new ATOM 466 N VAL A 108 -3.012 -4.343 -8.362 1.00 0.00 N ATOM 467 CA VAL A 108 -2.208 -3.275 -8.942 1.00 0.00 C ATOM 468 C VAL A 108 -0.805 -3.772 -9.278 1.00 0.00 C ATOM 469 O VAL A 108 -0.332 -3.565 -10.386 1.00 0.00 O ATOM 470 CB VAL A 108 -2.144 -2.069 -7.988 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.115 -2.311 -6.890 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.745 -0.813 -8.768 1.00 0.00 C ATOM 0 H VAL A 108 -3.365 -4.156 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.684 -2.955 -9.869 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.128 -1.935 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.083 -1.448 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.392 -3.198 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.133 -2.460 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.701 0.038 -8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.767 -0.964 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.483 -0.618 -9.546 1.00 0.00 H new ATOM 482 N MET A 109 -0.158 -4.428 -8.328 1.00 0.00 N ATOM 483 CA MET A 109 1.185 -4.943 -8.553 1.00 0.00 C ATOM 484 C MET A 109 1.183 -5.887 -9.753 1.00 0.00 C ATOM 485 O MET A 109 2.018 -5.764 -10.651 1.00 0.00 O ATOM 486 CB MET A 109 1.672 -5.683 -7.305 1.00 0.00 C ATOM 487 CG MET A 109 1.908 -4.685 -6.164 1.00 0.00 C ATOM 488 SD MET A 109 3.360 -3.667 -6.535 1.00 0.00 S ATOM 489 CE MET A 109 4.146 -3.782 -4.909 1.00 0.00 C ATOM 0 H MET A 109 -0.537 -4.616 -7.400 1.00 0.00 H new ATOM 0 HA MET A 109 1.859 -4.111 -8.758 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.935 -6.427 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.594 -6.220 -7.527 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.031 -4.051 -6.035 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.056 -5.219 -5.225 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.077 -3.215 -4.914 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.476 -3.375 -4.152 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.359 -4.826 -4.681 1.00 0.00 H new ATOM 499 N THR A 110 0.223 -6.805 -9.776 1.00 0.00 N ATOM 500 CA THR A 110 0.107 -7.743 -10.887 1.00 0.00 C ATOM 501 C THR A 110 -0.186 -6.989 -12.184 1.00 0.00 C ATOM 502 O THR A 110 0.404 -7.272 -13.226 1.00 0.00 O ATOM 503 CB THR A 110 -1.005 -8.761 -10.607 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.675 -9.516 -9.446 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.149 -9.715 -11.798 1.00 0.00 C ATOM 0 H THR A 110 -0.480 -6.920 -9.046 1.00 0.00 H new ATOM 0 HA THR A 110 1.052 -8.276 -10.995 1.00 0.00 H new ATOM 0 HB THR A 110 -1.944 -8.229 -10.450 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.108 -9.117 -8.663 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.940 -10.436 -11.593 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.400 -9.145 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.209 -10.244 -11.957 1.00 0.00 H new ATOM 513 N ASN A 111 -1.091 -6.032 -12.099 1.00 0.00 N ATOM 514 CA ASN A 111 -1.464 -5.228 -13.259 1.00 0.00 C ATOM 515 C ASN A 111 -0.266 -4.404 -13.723 1.00 0.00 C ATOM 516 O ASN A 111 -0.044 -4.225 -14.917 1.00 0.00 O ATOM 517 CB ASN A 111 -2.626 -4.298 -12.904 1.00 0.00 C ATOM 518 CG ASN A 111 -3.040 -3.482 -14.123 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.628 -2.333 -14.271 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.846 -4.005 -15.005 1.00 0.00 N ATOM 0 H ASN A 111 -1.585 -5.789 -11.240 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.777 -5.893 -14.064 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.473 -4.883 -12.545 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.333 -3.631 -12.094 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.135 -3.461 -15.818 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.188 -4.958 -14.882 1.00 0.00 H new ATOM 527 N LEU A 112 0.497 -3.915 -12.756 1.00 0.00 N ATOM 528 CA LEU A 112 1.672 -3.113 -13.042 1.00 0.00 C ATOM 529 C LEU A 112 2.690 -3.923 -13.828 1.00 0.00 C ATOM 530 O LEU A 112 3.410 -3.384 -14.672 1.00 0.00 O ATOM 531 CB LEU A 112 2.295 -2.626 -11.726 1.00 0.00 C ATOM 532 CG LEU A 112 1.525 -1.402 -11.202 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.839 -1.197 -9.718 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.953 -0.149 -11.982 1.00 0.00 C ATOM 0 H LEU A 112 0.320 -4.062 -11.762 1.00 0.00 H new ATOM 0 HA LEU A 112 1.375 -2.254 -13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.272 -3.425 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.342 -2.367 -11.883 1.00 0.00 H new ATOM 0 HG LEU A 112 0.456 -1.569 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.293 -0.329 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.539 -2.082 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.909 -1.033 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.406 0.717 -11.609 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.023 0.014 -11.851 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.734 -0.287 -13.041 1.00 0.00 H new ATOM 546 N GLY A 113 2.747 -5.218 -13.540 1.00 0.00 N ATOM 547 CA GLY A 113 3.685 -6.111 -14.224 1.00 0.00 C ATOM 548 C GLY A 113 4.368 -7.047 -13.238 1.00 0.00 C ATOM 549 O GLY A 113 5.116 -7.944 -13.636 1.00 0.00 O ATOM 0 H GLY A 113 2.160 -5.675 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.154 -6.695 -14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.436 -5.521 -14.750 1.00 0.00 H new ATOM 553 N GLU A 114 4.114 -6.836 -11.949 1.00 0.00 N ATOM 554 CA GLU A 114 4.717 -7.672 -10.902 1.00 0.00 C ATOM 555 C GLU A 114 3.644 -8.458 -10.151 1.00 0.00 C ATOM 556 O GLU A 114 2.873 -7.900 -9.371 1.00 0.00 O ATOM 557 CB GLU A 114 5.497 -6.784 -9.928 1.00 0.00 C ATOM 558 CG GLU A 114 6.704 -6.171 -10.647 1.00 0.00 C ATOM 559 CD GLU A 114 7.717 -7.257 -10.994 1.00 0.00 C ATOM 560 OE1 GLU A 114 8.111 -7.979 -10.092 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.086 -7.350 -12.153 1.00 0.00 O ATOM 0 H GLU A 114 3.500 -6.100 -11.601 1.00 0.00 H new ATOM 0 HA GLU A 114 5.396 -8.385 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.851 -5.995 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.830 -7.371 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.377 -5.665 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.171 -5.418 -10.012 1.00 0.00 H new ATOM 568 N LYS A 115 3.598 -9.769 -10.392 1.00 0.00 N ATOM 569 CA LYS A 115 2.613 -10.631 -9.735 1.00 0.00 C ATOM 570 C LYS A 115 3.154 -11.182 -8.408 1.00 0.00 C ATOM 571 O LYS A 115 3.859 -12.185 -8.378 1.00 0.00 O ATOM 572 CB LYS A 115 2.236 -11.786 -10.667 1.00 0.00 C ATOM 573 CG LYS A 115 1.103 -12.610 -10.045 1.00 0.00 C ATOM 574 CD LYS A 115 0.657 -13.702 -11.026 1.00 0.00 C ATOM 575 CE LYS A 115 -0.486 -14.516 -10.413 1.00 0.00 C ATOM 576 NZ LYS A 115 -0.939 -15.546 -11.394 1.00 0.00 N ATOM 0 H LYS A 115 4.226 -10.255 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 115 1.727 -10.034 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.924 -11.396 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.104 -12.421 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.439 -13.062 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.261 -11.962 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.332 -13.251 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.496 -14.357 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.153 -14.995 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.315 -13.859 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.716 -16.101 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.271 -15.077 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.146 -16.178 -11.625 1.00 0.00 H new ATOM 590 N LEU A 116 2.799 -10.507 -7.309 1.00 0.00 N ATOM 591 CA LEU A 116 3.231 -10.920 -5.972 1.00 0.00 C ATOM 592 C LEU A 116 2.395 -12.104 -5.481 1.00 0.00 C ATOM 593 O LEU A 116 1.639 -12.699 -6.245 1.00 0.00 O ATOM 594 CB LEU A 116 3.085 -9.743 -4.989 1.00 0.00 C ATOM 595 CG LEU A 116 4.356 -8.887 -4.982 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.652 -8.374 -6.391 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.157 -7.699 -4.037 1.00 0.00 C ATOM 0 H LEU A 116 2.213 -9.672 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 116 4.276 -11.224 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.229 -9.130 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.889 -10.122 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 116 5.196 -9.493 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.557 -7.767 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.795 -9.220 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.816 -7.769 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.058 -7.086 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.314 -7.099 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.957 -8.065 -3.030 1.00 0.00 H new ATOM 609 N THR A 117 2.528 -12.440 -4.193 1.00 0.00 N ATOM 610 CA THR A 117 1.766 -13.546 -3.613 1.00 0.00 C ATOM 611 C THR A 117 0.617 -13.005 -2.752 1.00 0.00 C ATOM 612 O THR A 117 0.827 -12.175 -1.870 1.00 0.00 O ATOM 613 CB THR A 117 2.689 -14.421 -2.756 1.00 0.00 C ATOM 614 OG1 THR A 117 3.575 -13.595 -2.023 1.00 0.00 O ATOM 615 CG2 THR A 117 3.504 -15.356 -3.650 1.00 0.00 C ATOM 0 H THR A 117 3.151 -11.965 -3.539 1.00 0.00 H new ATOM 0 HA THR A 117 1.349 -14.147 -4.421 1.00 0.00 H new ATOM 0 HB THR A 117 2.081 -15.013 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.264 -14.149 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.156 -15.973 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.829 -15.997 -4.218 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.109 -14.766 -4.339 1.00 0.00 H new ATOM 623 N ASP A 118 -0.597 -13.483 -3.019 1.00 0.00 N ATOM 624 CA ASP A 118 -1.768 -13.034 -2.271 1.00 0.00 C ATOM 625 C ASP A 118 -1.586 -13.282 -0.775 1.00 0.00 C ATOM 626 O ASP A 118 -1.919 -12.429 0.052 1.00 0.00 O ATOM 627 CB ASP A 118 -3.016 -13.778 -2.764 1.00 0.00 C ATOM 628 CG ASP A 118 -3.410 -13.295 -4.155 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.897 -12.267 -4.572 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.215 -13.965 -4.788 1.00 0.00 O ATOM 0 H ASP A 118 -0.794 -14.175 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.889 -11.963 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.822 -14.850 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.841 -13.617 -2.070 1.00 0.00 H new ATOM 635 N GLU A 119 -1.055 -14.448 -0.438 1.00 0.00 N ATOM 636 CA GLU A 119 -0.831 -14.807 0.959 1.00 0.00 C ATOM 637 C GLU A 119 0.149 -13.826 1.614 1.00 0.00 C ATOM 638 O GLU A 119 -0.002 -13.463 2.787 1.00 0.00 O ATOM 639 CB GLU A 119 -0.281 -16.241 1.048 1.00 0.00 C ATOM 640 CG GLU A 119 -1.326 -17.225 0.499 1.00 0.00 C ATOM 641 CD GLU A 119 -0.790 -18.654 0.519 1.00 0.00 C ATOM 642 OE1 GLU A 119 0.339 -18.839 0.940 1.00 0.00 O ATOM 643 OE2 GLU A 119 -1.516 -19.546 0.104 1.00 0.00 O ATOM 0 H GLU A 119 -0.771 -15.162 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.781 -14.755 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.645 -16.323 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.042 -16.487 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.237 -17.165 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.594 -16.947 -0.520 1.00 0.00 H new ATOM 650 N GLU A 120 1.128 -13.366 0.842 1.00 0.00 N ATOM 651 CA GLU A 120 2.094 -12.399 1.359 1.00 0.00 C ATOM 652 C GLU A 120 1.446 -11.019 1.448 1.00 0.00 C ATOM 653 O GLU A 120 1.614 -10.313 2.438 1.00 0.00 O ATOM 654 CB GLU A 120 3.327 -12.339 0.451 1.00 0.00 C ATOM 655 CG GLU A 120 4.404 -11.448 1.085 1.00 0.00 C ATOM 656 CD GLU A 120 5.638 -11.392 0.186 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.540 -11.820 -0.952 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.665 -10.922 0.652 1.00 0.00 O ATOM 0 H GLU A 120 1.274 -13.641 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 120 2.409 -12.714 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.721 -13.343 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.049 -11.947 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.011 -10.443 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.677 -11.837 2.066 1.00 0.00 H new ATOM 665 N VAL A 121 0.692 -10.657 0.409 1.00 0.00 N ATOM 666 CA VAL A 121 0.010 -9.368 0.383 1.00 0.00 C ATOM 667 C VAL A 121 -0.903 -9.260 1.603 1.00 0.00 C ATOM 668 O VAL A 121 -0.722 -8.397 2.456 1.00 0.00 O ATOM 669 CB VAL A 121 -0.817 -9.249 -0.912 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.873 -8.150 -0.772 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.108 -8.903 -2.084 1.00 0.00 C ATOM 0 H VAL A 121 0.540 -11.235 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 121 0.742 -8.560 0.409 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.312 -10.202 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.448 -8.079 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.541 -8.391 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.382 -7.197 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.479 -8.819 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.608 -7.955 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.854 -9.688 -2.203 1.00 0.00 H new ATOM 681 N ASP A 122 -1.871 -10.157 1.679 1.00 0.00 N ATOM 682 CA ASP A 122 -2.808 -10.176 2.795 1.00 0.00 C ATOM 683 C ASP A 122 -2.049 -10.055 4.117 1.00 0.00 C ATOM 684 O ASP A 122 -2.439 -9.288 4.988 1.00 0.00 O ATOM 685 CB ASP A 122 -3.601 -11.490 2.751 1.00 0.00 C ATOM 686 CG ASP A 122 -4.748 -11.463 3.751 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.747 -10.592 4.602 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.614 -12.319 3.649 1.00 0.00 O ATOM 0 H ASP A 122 -2.031 -10.884 0.981 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.495 -9.333 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.992 -11.650 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.939 -12.327 2.973 1.00 0.00 H new ATOM 693 N GLU A 123 -0.953 -10.800 4.252 1.00 0.00 N ATOM 694 CA GLU A 123 -0.145 -10.734 5.468 1.00 0.00 C ATOM 695 C GLU A 123 0.637 -9.418 5.522 1.00 0.00 C ATOM 696 O GLU A 123 0.906 -8.878 6.599 1.00 0.00 O ATOM 697 CB GLU A 123 0.823 -11.922 5.529 1.00 0.00 C ATOM 698 CG GLU A 123 1.636 -11.867 6.830 1.00 0.00 C ATOM 699 CD GLU A 123 2.527 -13.100 6.950 1.00 0.00 C ATOM 700 OE1 GLU A 123 2.280 -14.058 6.238 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.441 -13.069 7.759 1.00 0.00 O ATOM 0 H GLU A 123 -0.608 -11.448 3.544 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.814 -10.779 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.267 -12.858 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.493 -11.901 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.248 -10.965 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.963 -11.812 7.685 1.00 0.00 H new ATOM 708 N MET A 124 1.019 -8.912 4.359 1.00 0.00 N ATOM 709 CA MET A 124 1.790 -7.663 4.274 1.00 0.00 C ATOM 710 C MET A 124 1.134 -6.551 5.088 1.00 0.00 C ATOM 711 O MET A 124 1.642 -6.153 6.138 1.00 0.00 O ATOM 712 CB MET A 124 1.880 -7.215 2.805 1.00 0.00 C ATOM 713 CG MET A 124 2.950 -6.130 2.638 1.00 0.00 C ATOM 714 SD MET A 124 4.593 -6.867 2.845 1.00 0.00 S ATOM 715 CE MET A 124 5.036 -6.951 1.090 1.00 0.00 C ATOM 0 H MET A 124 0.812 -9.341 3.457 1.00 0.00 H new ATOM 0 HA MET A 124 2.785 -7.852 4.678 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.119 -8.070 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.913 -6.834 2.475 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.867 -5.671 1.653 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.799 -5.339 3.373 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.031 -7.383 0.986 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.314 -7.573 0.562 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.030 -5.947 0.665 1.00 0.00 H new ATOM 725 N ILE A 125 -0.002 -6.065 4.609 1.00 0.00 N ATOM 726 CA ILE A 125 -0.713 -5.001 5.305 1.00 0.00 C ATOM 727 C ILE A 125 -0.942 -5.378 6.766 1.00 0.00 C ATOM 728 O ILE A 125 -0.770 -4.544 7.655 1.00 0.00 O ATOM 729 CB ILE A 125 -2.065 -4.736 4.613 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.843 -3.866 3.366 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.024 -4.011 5.569 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.185 -3.620 2.672 1.00 0.00 C ATOM 0 H ILE A 125 -0.448 -6.386 3.750 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.107 -4.095 5.270 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.503 -5.692 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.387 -2.917 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.153 -4.360 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.974 -3.832 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.193 -4.628 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.587 -3.059 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.029 -3.003 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.622 -4.574 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.860 -3.108 3.357 1.00 0.00 H new ATOM 744 N ARG A 126 -1.346 -6.610 6.993 1.00 0.00 N ATOM 745 CA ARG A 126 -1.629 -7.083 8.346 1.00 0.00 C ATOM 746 C ARG A 126 -0.516 -6.712 9.316 1.00 0.00 C ATOM 747 O ARG A 126 -0.788 -6.375 10.469 1.00 0.00 O ATOM 748 CB ARG A 126 -1.828 -8.604 8.321 1.00 0.00 C ATOM 749 CG ARG A 126 -3.147 -8.944 7.609 1.00 0.00 C ATOM 750 CD ARG A 126 -4.309 -8.894 8.607 1.00 0.00 C ATOM 751 NE ARG A 126 -5.570 -9.149 7.927 1.00 0.00 N ATOM 752 CZ ARG A 126 -6.205 -8.184 7.290 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.701 -6.987 7.271 1.00 0.00 N ATOM 754 NH2 ARG A 126 -7.343 -8.431 6.699 1.00 0.00 N ATOM 0 H ARG A 126 -1.488 -7.308 6.263 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.540 -6.597 8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.993 -9.081 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.842 -8.995 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.324 -8.239 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.083 -9.936 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.155 -9.634 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.340 -7.918 9.091 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.969 -10.088 7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.819 -6.797 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.187 -6.237 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.741 -9.370 6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.834 -7.685 6.206 1.00 0.00 H new ATOM 768 N GLU A 127 0.730 -6.766 8.860 1.00 0.00 N ATOM 769 CA GLU A 127 1.858 -6.414 9.722 1.00 0.00 C ATOM 770 C GLU A 127 2.060 -4.895 9.746 1.00 0.00 C ATOM 771 O GLU A 127 2.420 -4.318 10.775 1.00 0.00 O ATOM 772 CB GLU A 127 3.131 -7.124 9.246 1.00 0.00 C ATOM 773 CG GLU A 127 2.982 -8.637 9.439 1.00 0.00 C ATOM 774 CD GLU A 127 4.205 -9.362 8.885 1.00 0.00 C ATOM 775 OE1 GLU A 127 4.995 -8.718 8.210 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.324 -10.552 9.122 1.00 0.00 O ATOM 0 H GLU A 127 0.986 -7.045 7.913 1.00 0.00 H new ATOM 0 HA GLU A 127 1.639 -6.744 10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.314 -6.898 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.993 -6.760 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.863 -8.866 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.082 -8.988 8.934 1.00 0.00 H new ATOM 783 N ALA A 128 1.819 -4.241 8.607 1.00 0.00 N ATOM 784 CA ALA A 128 1.972 -2.786 8.518 1.00 0.00 C ATOM 785 C ALA A 128 0.866 -2.077 9.300 1.00 0.00 C ATOM 786 O ALA A 128 1.134 -1.264 10.178 1.00 0.00 O ATOM 787 CB ALA A 128 1.921 -2.356 7.042 1.00 0.00 C ATOM 0 H ALA A 128 1.520 -4.690 7.741 1.00 0.00 H new ATOM 0 HA ALA A 128 2.933 -2.508 8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.035 -1.274 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.729 -2.841 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.963 -2.648 6.611 1.00 0.00 H new ATOM 793 N ASP A 129 -0.383 -2.393 8.968 1.00 0.00 N ATOM 794 CA ASP A 129 -1.531 -1.781 9.635 1.00 0.00 C ATOM 795 C ASP A 129 -1.281 -1.688 11.140 1.00 0.00 C ATOM 796 O ASP A 129 -0.975 -2.683 11.791 1.00 0.00 O ATOM 797 CB ASP A 129 -2.790 -2.614 9.371 1.00 0.00 C ATOM 798 CG ASP A 129 -4.043 -1.801 9.663 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.111 -1.232 10.727 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.913 -1.758 8.810 1.00 0.00 O ATOM 0 H ASP A 129 -0.627 -3.068 8.243 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.673 -0.776 9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.800 -2.948 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.777 -3.509 9.994 1.00 0.00 H new ATOM 805 N ILE A 130 -1.397 -0.482 11.683 1.00 0.00 N ATOM 806 CA ILE A 130 -1.171 -0.263 13.118 1.00 0.00 C ATOM 807 C ILE A 130 -2.460 -0.447 13.907 1.00 0.00 C ATOM 808 O ILE A 130 -2.444 -0.908 15.050 1.00 0.00 O ATOM 809 CB ILE A 130 -0.622 1.148 13.357 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.604 1.373 12.473 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.218 1.304 14.828 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.710 0.368 12.824 1.00 0.00 C ATOM 0 H ILE A 130 -1.644 0.358 11.160 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.444 -0.999 13.461 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.392 1.879 13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.328 1.267 11.424 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.973 2.390 12.605 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.172 2.308 14.994 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.089 1.143 15.464 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.551 0.571 15.074 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.576 0.542 12.185 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.998 0.494 13.868 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.343 -0.646 12.669 1.00 0.00 H new ATOM 824 N ASP A 131 -3.577 -0.071 13.296 1.00 0.00 N ATOM 825 CA ASP A 131 -4.889 -0.183 13.948 1.00 0.00 C ATOM 826 C ASP A 131 -5.585 -1.498 13.571 1.00 0.00 C ATOM 827 O ASP A 131 -6.638 -1.832 14.116 1.00 0.00 O ATOM 828 CB ASP A 131 -5.764 1.001 13.522 1.00 0.00 C ATOM 829 CG ASP A 131 -5.188 2.307 14.064 1.00 0.00 C ATOM 830 OD1 ASP A 131 -4.397 2.244 14.990 1.00 0.00 O ATOM 831 OD2 ASP A 131 -5.544 3.352 13.542 1.00 0.00 O ATOM 0 H ASP A 131 -3.607 0.314 12.352 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.742 -0.174 15.028 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.823 1.045 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.780 0.863 13.891 1.00 0.00 H new ATOM 836 N GLY A 132 -4.990 -2.228 12.637 1.00 0.00 N ATOM 837 CA GLY A 132 -5.554 -3.497 12.184 1.00 0.00 C ATOM 838 C GLY A 132 -6.946 -3.295 11.596 1.00 0.00 C ATOM 839 O GLY A 132 -7.853 -4.096 11.828 1.00 0.00 O ATOM 0 H GLY A 132 -4.118 -1.966 12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.900 -3.943 11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.606 -4.195 13.019 1.00 0.00 H new ATOM 843 N ASP A 133 -7.107 -2.204 10.847 1.00 0.00 N ATOM 844 CA ASP A 133 -8.394 -1.865 10.232 1.00 0.00 C ATOM 845 C ASP A 133 -8.416 -2.258 8.755 1.00 0.00 C ATOM 846 O ASP A 133 -8.987 -1.555 7.923 1.00 0.00 O ATOM 847 CB ASP A 133 -8.632 -0.361 10.371 1.00 0.00 C ATOM 848 CG ASP A 133 -7.499 0.408 9.700 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.354 0.032 9.902 1.00 0.00 O ATOM 850 OD2 ASP A 133 -7.791 1.359 8.994 1.00 0.00 O ATOM 0 H ASP A 133 -6.361 -1.537 10.650 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.184 -2.418 10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.585 -0.091 9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.693 -0.090 11.425 1.00 0.00 H new ATOM 855 N GLY A 134 -7.792 -3.388 8.440 1.00 0.00 N ATOM 856 CA GLY A 134 -7.745 -3.879 7.063 1.00 0.00 C ATOM 857 C GLY A 134 -7.263 -2.799 6.103 1.00 0.00 C ATOM 858 O GLY A 134 -7.228 -3.011 4.890 1.00 0.00 O ATOM 0 H GLY A 134 -7.312 -3.982 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.081 -4.742 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.736 -4.219 6.762 1.00 0.00 H new ATOM 862 N GLN A 135 -6.888 -1.637 6.638 1.00 0.00 N ATOM 863 CA GLN A 135 -6.410 -0.543 5.795 1.00 0.00 C ATOM 864 C GLN A 135 -5.321 0.238 6.518 1.00 0.00 C ATOM 865 O GLN A 135 -5.295 0.287 7.745 1.00 0.00 O ATOM 866 CB GLN A 135 -7.575 0.381 5.404 1.00 0.00 C ATOM 867 CG GLN A 135 -8.580 -0.405 4.548 1.00 0.00 C ATOM 868 CD GLN A 135 -9.691 0.503 4.025 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.432 1.436 3.272 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.928 0.282 4.378 1.00 0.00 N ATOM 0 H GLN A 135 -6.905 -1.431 7.637 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.987 -0.961 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.065 0.767 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.201 1.242 4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -8.062 -0.870 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.014 -1.211 5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -11.149 -0.492 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.674 0.884 4.028 1.00 0.00 H new ATOM 879 N VAL A 136 -4.420 0.860 5.751 1.00 0.00 N ATOM 880 CA VAL A 136 -3.344 1.640 6.352 1.00 0.00 C ATOM 881 C VAL A 136 -3.129 2.928 5.564 1.00 0.00 C ATOM 882 O VAL A 136 -3.290 2.940 4.342 1.00 0.00 O ATOM 883 CB VAL A 136 -2.048 0.805 6.366 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.388 -0.669 6.572 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.293 0.963 5.048 1.00 0.00 C ATOM 0 H VAL A 136 -4.416 0.838 4.731 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.615 1.898 7.376 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.418 1.160 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.470 -1.256 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.908 -0.793 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.029 -1.011 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.381 0.366 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.922 0.624 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.036 2.012 4.900 1.00 0.00 H new ATOM 895 N ASN A 137 -2.752 3.986 6.265 1.00 0.00 N ATOM 896 CA ASN A 137 -2.506 5.259 5.612 1.00 0.00 C ATOM 897 C ASN A 137 -1.289 5.174 4.690 1.00 0.00 C ATOM 898 O ASN A 137 -0.951 4.102 4.183 1.00 0.00 O ATOM 899 CB ASN A 137 -2.300 6.346 6.666 1.00 0.00 C ATOM 900 CG ASN A 137 -0.947 6.166 7.347 1.00 0.00 C ATOM 901 OD1 ASN A 137 -0.289 5.053 7.177 1.00 0.00 O flip ATOM 902 ND2 ASN A 137 -0.478 7.059 8.046 1.00 0.00 N flip ATOM 0 H ASN A 137 -2.611 3.988 7.275 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.373 5.511 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.353 7.330 6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.098 6.301 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.995 7.929 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 137 0.429 6.932 8.496 1.00 0.00 H new ATOM 909 N TYR A 138 -0.647 6.315 4.463 1.00 0.00 N ATOM 910 CA TYR A 138 0.520 6.372 3.587 1.00 0.00 C ATOM 911 C TYR A 138 1.797 5.913 4.307 1.00 0.00 C ATOM 912 O TYR A 138 2.502 5.046 3.812 1.00 0.00 O ATOM 913 CB TYR A 138 0.699 7.805 3.066 1.00 0.00 C ATOM 914 CG TYR A 138 -0.649 8.368 2.656 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.425 7.703 1.696 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.123 9.552 3.238 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.670 8.223 1.318 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.364 10.070 2.858 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.139 9.407 1.901 1.00 0.00 C ATOM 920 OH TYR A 138 -4.363 9.922 1.531 1.00 0.00 O ATOM 0 H TYR A 138 -0.913 7.211 4.872 1.00 0.00 H new ATOM 0 HA TYR A 138 0.350 5.691 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.146 8.431 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.381 7.811 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.063 6.790 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.529 10.064 3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.267 7.711 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.726 10.985 3.304 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.536 10.746 2.032 1.00 0.00 H new ATOM 930 N GLU A 139 2.090 6.509 5.466 1.00 0.00 N ATOM 931 CA GLU A 139 3.295 6.166 6.227 1.00 0.00 C ATOM 932 C GLU A 139 3.323 4.685 6.560 1.00 0.00 C ATOM 933 O GLU A 139 4.136 3.942 5.978 1.00 0.00 O ATOM 934 CB GLU A 139 3.368 7.004 7.491 1.00 0.00 C ATOM 935 CG GLU A 139 3.591 8.468 7.103 1.00 0.00 C ATOM 936 CD GLU A 139 3.595 9.338 8.351 1.00 0.00 C ATOM 937 OE1 GLU A 139 3.442 8.791 9.429 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.751 10.540 8.210 1.00 0.00 O ATOM 0 H GLU A 139 1.511 7.230 5.897 1.00 0.00 H new ATOM 0 HA GLU A 139 4.168 6.385 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.447 6.902 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.180 6.655 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.537 8.573 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.806 8.797 6.422 1.00 0.00 H new ATOM 945 N GLU A 140 2.450 4.263 7.502 1.00 0.00 N ATOM 946 CA GLU A 140 2.361 2.854 7.905 1.00 0.00 C ATOM 947 C GLU A 140 2.721 1.950 6.720 1.00 0.00 C ATOM 948 O GLU A 140 3.186 0.831 6.883 1.00 0.00 O ATOM 949 CB GLU A 140 0.927 2.542 8.337 1.00 0.00 C ATOM 950 CG GLU A 140 0.525 3.395 9.547 1.00 0.00 C ATOM 951 CD GLU A 140 -0.951 3.186 9.869 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.558 2.334 9.237 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.452 3.886 10.740 1.00 0.00 O ATOM 0 H GLU A 140 1.802 4.880 7.992 1.00 0.00 H new ATOM 0 HA GLU A 140 3.052 2.675 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.244 2.732 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.839 1.485 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 140 1.135 3.127 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.714 4.448 9.338 1.00 0.00 H new ATOM 960 N PHE A 141 2.507 2.478 5.505 1.00 0.00 N ATOM 961 CA PHE A 141 2.835 1.755 4.289 1.00 0.00 C ATOM 962 C PHE A 141 4.258 2.077 3.828 1.00 0.00 C ATOM 963 O PHE A 141 5.077 1.171 3.662 1.00 0.00 O ATOM 964 CB PHE A 141 1.839 2.133 3.184 1.00 0.00 C ATOM 965 CG PHE A 141 1.673 0.972 2.224 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.770 0.500 1.501 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.424 0.368 2.063 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.620 -0.573 0.618 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.272 -0.700 1.187 1.00 0.00 C ATOM 970 CZ PHE A 141 1.369 -1.177 0.461 1.00 0.00 C ATOM 0 H PHE A 141 2.108 3.404 5.349 1.00 0.00 H new ATOM 0 HA PHE A 141 2.773 0.686 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.876 2.394 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.194 3.013 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.737 0.965 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.426 0.732 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.469 -0.935 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.696 -1.163 1.066 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.250 -2.008 -0.218 1.00 0.00 H new ATOM 980 N VAL A 142 4.537 3.363 3.595 1.00 0.00 N ATOM 981 CA VAL A 142 5.858 3.791 3.117 1.00 0.00 C ATOM 982 C VAL A 142 6.947 2.877 3.658 1.00 0.00 C ATOM 983 O VAL A 142 7.660 2.227 2.893 1.00 0.00 O ATOM 984 CB VAL A 142 6.125 5.232 3.565 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.590 5.598 3.309 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.222 6.196 2.774 1.00 0.00 C ATOM 0 H VAL A 142 3.870 4.123 3.728 1.00 0.00 H new ATOM 0 HA VAL A 142 5.869 3.737 2.028 1.00 0.00 H new ATOM 0 HB VAL A 142 5.911 5.314 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.770 6.624 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.237 4.923 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.807 5.508 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.414 7.220 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.435 6.103 1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.176 5.948 2.958 1.00 0.00 H new ATOM 996 N GLN A 143 7.064 2.826 4.977 1.00 0.00 N ATOM 997 CA GLN A 143 8.082 1.981 5.615 1.00 0.00 C ATOM 998 C GLN A 143 8.219 0.651 4.870 1.00 0.00 C ATOM 999 O GLN A 143 9.243 0.388 4.240 1.00 0.00 O ATOM 1000 CB GLN A 143 7.691 1.722 7.073 1.00 0.00 C ATOM 1001 CG GLN A 143 8.794 0.933 7.788 1.00 0.00 C ATOM 1002 CD GLN A 143 10.070 1.767 7.878 1.00 0.00 C ATOM 1003 OE1 GLN A 143 10.009 2.984 8.061 1.00 0.00 O ATOM 1004 NE2 GLN A 143 11.233 1.183 7.765 1.00 0.00 N ATOM 0 H GLN A 143 6.478 3.350 5.626 1.00 0.00 H new ATOM 0 HA GLN A 143 9.041 2.498 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 143 7.522 2.669 7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.754 1.167 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.462 0.656 8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.994 0.006 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.285 0.176 7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.089 1.734 7.828 1.00 0.00 H new ATOM 1013 N MET A 144 7.188 -0.181 4.943 1.00 0.00 N ATOM 1014 CA MET A 144 7.226 -1.478 4.273 1.00 0.00 C ATOM 1015 C MET A 144 7.659 -1.324 2.814 1.00 0.00 C ATOM 1016 O MET A 144 8.560 -2.022 2.351 1.00 0.00 O ATOM 1017 CB MET A 144 5.836 -2.119 4.324 1.00 0.00 C ATOM 1018 CG MET A 144 5.370 -2.223 5.777 1.00 0.00 C ATOM 1019 SD MET A 144 6.444 -3.369 6.680 1.00 0.00 S ATOM 1020 CE MET A 144 5.383 -4.832 6.559 1.00 0.00 C ATOM 0 H MET A 144 6.325 0.013 5.452 1.00 0.00 H new ATOM 0 HA MET A 144 7.949 -2.112 4.786 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.129 -1.523 3.747 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.865 -3.109 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.393 -1.240 6.248 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.338 -2.571 5.814 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.863 -5.672 7.060 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.424 -4.626 7.034 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.222 -5.079 5.510 1.00 0.00 H new ATOM 1030 N MET A 145 7.022 -0.402 2.097 1.00 0.00 N ATOM 1031 CA MET A 145 7.349 -0.172 0.689 1.00 0.00 C ATOM 1032 C MET A 145 8.858 -0.161 0.470 1.00 0.00 C ATOM 1033 O MET A 145 9.589 0.567 1.136 1.00 0.00 O ATOM 1034 CB MET A 145 6.757 1.163 0.232 1.00 0.00 C ATOM 1035 CG MET A 145 6.748 1.240 -1.296 1.00 0.00 C ATOM 1036 SD MET A 145 5.714 2.625 -1.824 1.00 0.00 S ATOM 1037 CE MET A 145 6.775 3.953 -1.217 1.00 0.00 C ATOM 0 H MET A 145 6.281 0.196 2.463 1.00 0.00 H new ATOM 0 HA MET A 145 6.922 -0.986 0.103 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.742 1.269 0.615 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.340 1.987 0.642 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.764 1.367 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.368 0.308 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.525 4.882 -1.730 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.623 4.079 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.818 3.702 -1.409 1.00 0.00 H new