USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 616 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 72 THR OG1 : rot -150:sc= -0.0016 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.233 K(o=0.56,f=-6.3!) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.798 X(o=0.56,f=0.15) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 2.48 (180deg=2.43) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.0528 (180deg=-0.39) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0344 F(o=-0.62,f=-0.034) USER MOD Single : A 55 GLN : amide:sc= 0.231 X(o=0.23,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.7!) USER MOD Single : A 59 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.37) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 78:sc= 1.3 USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 83 THR OG1 : rot -140:sc= -0.418 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc=-0.00243 (180deg=-0.0734) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 7.762 -11.225 -1.962 1.00 0.00 N ATOM 45 CA GLU A 4 6.807 -11.770 -2.899 1.00 0.00 C ATOM 46 C GLU A 4 5.781 -10.723 -3.197 1.00 0.00 C ATOM 47 O GLU A 4 4.978 -10.399 -2.343 1.00 0.00 O ATOM 48 CB GLU A 4 6.153 -13.044 -2.362 1.00 0.00 C ATOM 49 CG GLU A 4 5.136 -13.661 -3.316 1.00 0.00 C ATOM 50 CD GLU A 4 4.678 -15.026 -2.888 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.872 -15.139 -1.948 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.137 -16.027 -3.474 1.00 0.00 O ATOM 0 HA GLU A 4 7.325 -12.050 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.930 -13.778 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.660 -12.818 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.271 -13.002 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.575 -13.727 -4.312 1.00 0.00 H new ATOM 59 N LEU A 5 5.842 -10.169 -4.386 1.00 0.00 N ATOM 60 CA LEU A 5 4.955 -9.095 -4.781 1.00 0.00 C ATOM 61 C LEU A 5 3.676 -9.662 -5.340 1.00 0.00 C ATOM 62 O LEU A 5 3.705 -10.534 -6.226 1.00 0.00 O ATOM 63 CB LEU A 5 5.611 -8.166 -5.828 1.00 0.00 C ATOM 64 CG LEU A 5 6.946 -7.494 -5.450 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.875 -6.841 -4.089 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.137 -8.444 -5.569 1.00 0.00 C ATOM 0 H LEU A 5 6.507 -10.449 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 5 4.739 -8.502 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.772 -8.746 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.897 -7.380 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 5 7.115 -6.703 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.834 -6.378 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.095 -6.079 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.644 -7.594 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.051 -7.919 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.991 -9.295 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.220 -8.797 -6.597 1.00 0.00 H new ATOM 78 N PHE A 6 2.570 -9.203 -4.839 1.00 0.00 N ATOM 79 CA PHE A 6 1.306 -9.691 -5.275 1.00 0.00 C ATOM 80 C PHE A 6 0.244 -8.601 -5.343 1.00 0.00 C ATOM 81 O PHE A 6 0.212 -7.699 -4.516 1.00 0.00 O ATOM 82 CB PHE A 6 0.829 -10.855 -4.405 1.00 0.00 C ATOM 83 CG PHE A 6 0.837 -10.624 -2.930 1.00 0.00 C ATOM 84 CD1 PHE A 6 -0.248 -10.036 -2.308 1.00 0.00 C ATOM 85 CD2 PHE A 6 1.911 -11.005 -2.168 1.00 0.00 C ATOM 86 CE1 PHE A 6 -0.254 -9.830 -0.946 1.00 0.00 C ATOM 87 CE2 PHE A 6 1.915 -10.807 -0.816 1.00 0.00 C ATOM 88 CZ PHE A 6 0.832 -10.217 -0.196 1.00 0.00 C ATOM 0 H PHE A 6 2.522 -8.482 -4.119 1.00 0.00 H new ATOM 0 HA PHE A 6 1.454 -10.055 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.186 -11.113 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.455 -11.721 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.102 -9.734 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.764 -11.467 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.106 -9.368 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.769 -11.113 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.837 -10.060 0.873 1.00 0.00 H new ATOM 98 N PRO A 7 -0.607 -8.661 -6.350 1.00 0.00 N ATOM 99 CA PRO A 7 -1.716 -7.744 -6.495 1.00 0.00 C ATOM 100 C PRO A 7 -2.901 -8.142 -5.638 1.00 0.00 C ATOM 101 O PRO A 7 -3.424 -9.269 -5.718 1.00 0.00 O ATOM 102 CB PRO A 7 -2.094 -7.879 -7.942 1.00 0.00 C ATOM 103 CG PRO A 7 -1.711 -9.276 -8.305 1.00 0.00 C ATOM 104 CD PRO A 7 -0.536 -9.622 -7.458 1.00 0.00 C ATOM 0 HA PRO A 7 -1.443 -6.734 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.161 -7.710 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.567 -7.151 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.536 -9.965 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.462 -9.348 -9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.590 -10.650 -7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.398 -9.526 -8.011 1.00 0.00 H new ATOM 112 N VAL A 8 -3.297 -7.266 -4.812 1.00 0.00 N ATOM 113 CA VAL A 8 -4.451 -7.463 -4.030 1.00 0.00 C ATOM 114 C VAL A 8 -5.552 -6.651 -4.636 1.00 0.00 C ATOM 115 O VAL A 8 -5.552 -5.432 -4.506 1.00 0.00 O ATOM 116 CB VAL A 8 -4.252 -7.026 -2.558 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.480 -7.316 -1.711 1.00 0.00 C ATOM 118 CG2 VAL A 8 -3.010 -7.640 -1.958 1.00 0.00 C ATOM 0 H VAL A 8 -2.825 -6.376 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.685 -8.527 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.112 -5.945 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.299 -6.994 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.336 -6.776 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.687 -8.386 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.904 -7.310 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.092 -8.727 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.137 -7.327 -2.530 1.00 0.00 H new ATOM 128 N GLU A 9 -6.401 -7.296 -5.379 1.00 0.00 N ATOM 129 CA GLU A 9 -7.559 -6.650 -5.907 1.00 0.00 C ATOM 130 C GLU A 9 -8.583 -6.654 -4.790 1.00 0.00 C ATOM 131 O GLU A 9 -9.164 -7.702 -4.465 1.00 0.00 O ATOM 132 CB GLU A 9 -8.086 -7.397 -7.135 1.00 0.00 C ATOM 133 CG GLU A 9 -9.230 -6.701 -7.856 1.00 0.00 C ATOM 134 CD GLU A 9 -9.845 -7.574 -8.923 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.605 -8.507 -8.578 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.596 -7.348 -10.120 1.00 0.00 O ATOM 0 H GLU A 9 -6.309 -8.279 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.334 -5.635 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.265 -7.540 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.418 -8.388 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.996 -6.420 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.865 -5.779 -8.309 1.00 0.00 H new ATOM 143 N LEU A 10 -8.726 -5.529 -4.153 1.00 0.00 N ATOM 144 CA LEU A 10 -9.582 -5.403 -3.016 1.00 0.00 C ATOM 145 C LEU A 10 -10.817 -4.688 -3.486 1.00 0.00 C ATOM 146 O LEU A 10 -10.704 -3.721 -4.206 1.00 0.00 O ATOM 147 CB LEU A 10 -8.880 -4.519 -1.980 1.00 0.00 C ATOM 148 CG LEU A 10 -9.130 -4.774 -0.479 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.603 -4.885 -0.130 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.354 -5.979 -0.002 1.00 0.00 C ATOM 0 H LEU A 10 -8.246 -4.667 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.819 -6.374 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.807 -4.601 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.158 -3.486 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.763 -3.896 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.711 -5.064 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.111 -3.958 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.047 -5.713 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.546 -6.139 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.667 -6.859 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.288 -5.810 -0.156 1.00 0.00 H new ATOM 162 N GLU A 11 -11.962 -5.158 -3.115 1.00 0.00 N ATOM 163 CA GLU A 11 -13.178 -4.473 -3.439 1.00 0.00 C ATOM 164 C GLU A 11 -13.664 -3.741 -2.196 1.00 0.00 C ATOM 165 O GLU A 11 -14.243 -4.341 -1.282 1.00 0.00 O ATOM 166 CB GLU A 11 -14.238 -5.428 -3.981 1.00 0.00 C ATOM 167 CG GLU A 11 -15.519 -4.731 -4.398 1.00 0.00 C ATOM 168 CD GLU A 11 -16.512 -5.669 -5.011 1.00 0.00 C ATOM 169 OE1 GLU A 11 -17.284 -6.310 -4.269 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.551 -5.773 -6.253 1.00 0.00 O ATOM 0 H GLU A 11 -12.085 -6.020 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.987 -3.752 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.829 -5.964 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.469 -6.173 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.967 -4.251 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.283 -3.941 -5.111 1.00 0.00 H new ATOM 177 N LYS A 12 -13.348 -2.478 -2.139 1.00 0.00 N ATOM 178 CA LYS A 12 -13.667 -1.641 -1.021 1.00 0.00 C ATOM 179 C LYS A 12 -15.063 -1.043 -1.041 1.00 0.00 C ATOM 180 O LYS A 12 -15.853 -1.241 -1.966 1.00 0.00 O ATOM 181 CB LYS A 12 -12.590 -0.565 -0.778 1.00 0.00 C ATOM 182 CG LYS A 12 -11.360 -1.064 -0.010 1.00 0.00 C ATOM 183 CD LYS A 12 -11.718 -1.624 1.384 1.00 0.00 C ATOM 184 CE LYS A 12 -11.495 -0.676 2.575 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.339 0.538 2.524 1.00 0.00 N ATOM 0 H LYS A 12 -12.851 -1.993 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.670 -2.321 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.266 -0.168 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.037 0.262 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.862 -1.840 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.650 -0.245 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.767 -1.921 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.132 -2.528 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.699 -1.213 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.446 -0.380 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.166 1.117 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.104 1.089 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.341 0.263 2.492 1.00 0.00 H new ATOM 199 N ASP A 13 -15.324 -0.328 0.027 1.00 0.00 N ATOM 200 CA ASP A 13 -16.589 0.291 0.365 1.00 0.00 C ATOM 201 C ASP A 13 -16.759 1.598 -0.390 1.00 0.00 C ATOM 202 O ASP A 13 -15.917 1.976 -1.206 1.00 0.00 O ATOM 203 CB ASP A 13 -16.567 0.638 1.868 1.00 0.00 C ATOM 204 CG ASP A 13 -15.985 -0.454 2.738 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.723 -0.637 2.708 1.00 0.00 O ATOM 206 OD2 ASP A 13 -16.739 -1.130 3.467 1.00 0.00 O ATOM 0 H ASP A 13 -14.610 -0.149 0.733 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.397 -0.395 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.989 1.551 2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.584 0.849 2.198 1.00 0.00 H new ATOM 211 N GLU A 14 -17.830 2.309 -0.073 1.00 0.00 N ATOM 212 CA GLU A 14 -18.104 3.618 -0.657 1.00 0.00 C ATOM 213 C GLU A 14 -17.138 4.669 -0.108 1.00 0.00 C ATOM 214 O GLU A 14 -16.854 5.664 -0.770 1.00 0.00 O ATOM 215 CB GLU A 14 -19.555 4.040 -0.396 1.00 0.00 C ATOM 216 CG GLU A 14 -19.939 4.041 1.074 1.00 0.00 C ATOM 217 CD GLU A 14 -21.300 4.626 1.318 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.300 3.869 1.282 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.399 5.847 1.554 1.00 0.00 O ATOM 0 H GLU A 14 -18.535 1.998 0.595 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.957 3.542 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.712 5.039 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.222 3.367 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.914 3.019 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.198 4.608 1.638 1.00 0.00 H new ATOM 226 N ASP A 15 -16.642 4.424 1.107 1.00 0.00 N ATOM 227 CA ASP A 15 -15.681 5.314 1.783 1.00 0.00 C ATOM 228 C ASP A 15 -14.423 5.467 0.951 1.00 0.00 C ATOM 229 O ASP A 15 -13.886 6.570 0.792 1.00 0.00 O ATOM 230 CB ASP A 15 -15.301 4.731 3.154 1.00 0.00 C ATOM 231 CG ASP A 15 -14.289 5.583 3.919 1.00 0.00 C ATOM 232 OD1 ASP A 15 -13.060 5.450 3.691 1.00 0.00 O ATOM 233 OD2 ASP A 15 -14.692 6.376 4.782 1.00 0.00 O ATOM 0 H ASP A 15 -16.893 3.602 1.656 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.151 6.289 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.203 4.623 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.890 3.731 3.014 1.00 0.00 H new ATOM 238 N GLY A 16 -13.984 4.365 0.404 1.00 0.00 N ATOM 239 CA GLY A 16 -12.776 4.341 -0.328 1.00 0.00 C ATOM 240 C GLY A 16 -11.859 3.378 0.330 1.00 0.00 C ATOM 241 O GLY A 16 -12.179 2.199 0.436 1.00 0.00 O ATOM 0 H GLY A 16 -14.464 3.467 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.962 4.045 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.328 5.334 -0.357 1.00 0.00 H new ATOM 245 N LEU A 17 -10.792 3.856 0.866 1.00 0.00 N ATOM 246 CA LEU A 17 -9.841 2.991 1.501 1.00 0.00 C ATOM 247 C LEU A 17 -9.814 3.276 2.974 1.00 0.00 C ATOM 248 O LEU A 17 -10.191 2.416 3.771 1.00 0.00 O ATOM 249 CB LEU A 17 -8.472 3.161 0.876 1.00 0.00 C ATOM 250 CG LEU A 17 -7.434 2.129 1.214 1.00 0.00 C ATOM 251 CD1 LEU A 17 -8.012 0.720 1.132 1.00 0.00 C ATOM 252 CD2 LEU A 17 -6.303 2.262 0.236 1.00 0.00 C ATOM 0 H LEU A 17 -10.548 4.846 0.881 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.138 1.952 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.594 3.177 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.086 4.138 1.167 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.087 2.292 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.238 -0.006 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.839 0.625 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.372 0.533 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.537 1.521 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.676 2.100 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.874 3.261 0.309 1.00 0.00 H new ATOM 264 N GLY A 18 -9.395 4.473 3.322 1.00 0.00 N ATOM 265 CA GLY A 18 -9.381 4.894 4.696 1.00 0.00 C ATOM 266 C GLY A 18 -8.204 4.367 5.458 1.00 0.00 C ATOM 267 O GLY A 18 -8.295 4.148 6.674 1.00 0.00 O ATOM 0 H GLY A 18 -9.058 5.174 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.375 5.983 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.299 4.562 5.181 1.00 0.00 H new ATOM 271 N ILE A 19 -7.102 4.130 4.773 1.00 0.00 N ATOM 272 CA ILE A 19 -5.930 3.627 5.458 1.00 0.00 C ATOM 273 C ILE A 19 -4.881 4.716 5.630 1.00 0.00 C ATOM 274 O ILE A 19 -5.011 5.824 5.078 1.00 0.00 O ATOM 275 CB ILE A 19 -5.305 2.391 4.772 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.628 2.765 3.450 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.365 1.315 4.567 1.00 0.00 C ATOM 278 CD1 ILE A 19 -3.993 1.593 2.735 1.00 0.00 C ATOM 0 H ILE A 19 -6.994 4.273 3.769 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.277 3.305 6.440 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.529 1.992 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.366 3.223 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.864 3.517 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.915 0.448 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.775 1.019 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.165 1.707 3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.534 1.937 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.230 1.147 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.756 0.849 2.508 1.00 0.00 H new ATOM 290 N SER A 20 -3.860 4.401 6.375 1.00 0.00 N ATOM 291 CA SER A 20 -2.794 5.317 6.653 1.00 0.00 C ATOM 292 C SER A 20 -1.480 4.713 6.238 1.00 0.00 C ATOM 293 O SER A 20 -1.288 3.495 6.311 1.00 0.00 O ATOM 294 CB SER A 20 -2.791 5.655 8.133 1.00 0.00 C ATOM 295 OG SER A 20 -4.059 6.150 8.530 1.00 0.00 O ATOM 0 H SER A 20 -3.744 3.487 6.812 1.00 0.00 H new ATOM 0 HA SER A 20 -2.941 6.236 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.542 4.767 8.715 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.022 6.399 8.341 1.00 0.00 H new ATOM 0 HG SER A 20 -4.043 6.362 9.487 1.00 0.00 H new ATOM 301 N ILE A 21 -0.591 5.550 5.812 1.00 0.00 N ATOM 302 CA ILE A 21 0.700 5.144 5.343 1.00 0.00 C ATOM 303 C ILE A 21 1.745 5.747 6.236 1.00 0.00 C ATOM 304 O ILE A 21 1.447 6.684 6.984 1.00 0.00 O ATOM 305 CB ILE A 21 0.911 5.612 3.867 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.775 7.144 3.714 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.049 4.892 2.925 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.020 7.939 4.015 1.00 0.00 C ATOM 0 H ILE A 21 -0.742 6.558 5.778 1.00 0.00 H new ATOM 0 HA ILE A 21 0.777 4.057 5.367 1.00 0.00 H new ATOM 0 HB ILE A 21 1.933 5.349 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.463 7.363 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.023 7.488 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.118 5.235 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.125 3.817 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.076 5.109 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.816 9.001 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.326 7.759 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.819 7.633 3.340 1.00 0.00 H new ATOM 320 N ILE A 22 2.922 5.227 6.197 1.00 0.00 N ATOM 321 CA ILE A 22 4.001 5.815 6.922 1.00 0.00 C ATOM 322 C ILE A 22 5.178 6.011 6.002 1.00 0.00 C ATOM 323 O ILE A 22 5.507 5.123 5.211 1.00 0.00 O ATOM 324 CB ILE A 22 4.375 5.033 8.210 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.511 5.729 8.981 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.703 3.586 7.911 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.873 5.065 10.293 1.00 0.00 C ATOM 0 H ILE A 22 3.166 4.390 5.668 1.00 0.00 H new ATOM 0 HA ILE A 22 3.671 6.790 7.281 1.00 0.00 H new ATOM 0 HB ILE A 22 3.498 5.033 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.397 5.762 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.221 6.761 9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.960 3.072 8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.838 3.103 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.548 3.539 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.681 5.619 10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.002 5.056 10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.196 4.041 10.106 1.00 0.00 H new ATOM 339 N GLY A 23 5.755 7.183 6.051 1.00 0.00 N ATOM 340 CA GLY A 23 6.845 7.489 5.194 1.00 0.00 C ATOM 341 C GLY A 23 8.156 7.208 5.837 1.00 0.00 C ATOM 342 O GLY A 23 8.579 7.921 6.745 1.00 0.00 O ATOM 0 H GLY A 23 5.479 7.936 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.759 6.907 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.799 8.540 4.910 1.00 0.00 H new ATOM 346 N MET A 24 8.783 6.169 5.403 1.00 0.00 N ATOM 347 CA MET A 24 10.086 5.803 5.891 1.00 0.00 C ATOM 348 C MET A 24 11.048 5.910 4.736 1.00 0.00 C ATOM 349 O MET A 24 10.636 5.861 3.583 1.00 0.00 O ATOM 350 CB MET A 24 10.087 4.357 6.431 1.00 0.00 C ATOM 351 CG MET A 24 9.097 4.091 7.569 1.00 0.00 C ATOM 352 SD MET A 24 9.457 5.034 9.068 1.00 0.00 S ATOM 353 CE MET A 24 11.023 4.311 9.558 1.00 0.00 C ATOM 0 H MET A 24 8.410 5.538 4.693 1.00 0.00 H new ATOM 0 HA MET A 24 10.374 6.464 6.708 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.863 3.678 5.608 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.091 4.116 6.779 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.090 4.334 7.229 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.105 3.027 7.807 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.228 4.558 10.600 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.975 3.228 9.445 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.819 4.707 8.928 1.00 0.00 H new ATOM 363 N GLY A 25 12.290 6.090 5.019 1.00 0.00 N ATOM 364 CA GLY A 25 13.267 6.125 3.970 1.00 0.00 C ATOM 365 C GLY A 25 14.152 4.925 4.064 1.00 0.00 C ATOM 366 O GLY A 25 15.284 5.010 4.551 1.00 0.00 O ATOM 0 H GLY A 25 12.660 6.216 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.771 6.148 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.863 7.035 4.045 1.00 0.00 H new ATOM 488 N LEU A 35 11.153 2.647 -1.826 1.00 0.00 N ATOM 489 CA LEU A 35 10.234 3.465 -1.065 1.00 0.00 C ATOM 490 C LEU A 35 10.145 2.922 0.357 1.00 0.00 C ATOM 491 O LEU A 35 10.367 1.727 0.587 1.00 0.00 O ATOM 492 CB LEU A 35 8.824 3.355 -1.646 1.00 0.00 C ATOM 493 CG LEU A 35 8.166 1.972 -1.469 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.697 2.119 -1.286 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.438 1.044 -2.639 1.00 0.00 C ATOM 0 HA LEU A 35 10.592 4.494 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.191 4.107 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.863 3.591 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 35 8.611 1.524 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.245 1.135 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.499 2.723 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.268 2.607 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.952 0.084 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.045 1.487 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.513 0.893 -2.741 1.00 0.00 H new ATOM 507 N GLY A 36 9.820 3.750 1.279 1.00 0.00 N ATOM 508 CA GLY A 36 9.596 3.280 2.596 1.00 0.00 C ATOM 509 C GLY A 36 8.193 3.538 3.021 1.00 0.00 C ATOM 510 O GLY A 36 7.938 3.828 4.167 1.00 0.00 O ATOM 0 H GLY A 36 9.703 4.755 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.804 2.211 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.285 3.771 3.284 1.00 0.00 H new ATOM 514 N ILE A 37 7.273 3.456 2.099 1.00 0.00 N ATOM 515 CA ILE A 37 5.897 3.682 2.441 1.00 0.00 C ATOM 516 C ILE A 37 5.268 2.396 2.909 1.00 0.00 C ATOM 517 O ILE A 37 4.894 1.531 2.113 1.00 0.00 O ATOM 518 CB ILE A 37 5.057 4.274 1.299 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.730 5.531 0.711 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.667 4.610 1.840 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.825 6.704 1.655 1.00 0.00 C ATOM 0 H ILE A 37 7.448 3.237 1.118 1.00 0.00 H new ATOM 0 HA ILE A 37 5.904 4.426 3.238 1.00 0.00 H new ATOM 0 HB ILE A 37 4.974 3.544 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.735 5.266 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.176 5.841 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.058 5.032 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.194 3.703 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.757 5.335 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.312 7.538 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.824 7.003 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.407 6.420 2.531 1.00 0.00 H new ATOM 533 N PHE A 38 5.190 2.260 4.178 1.00 0.00 N ATOM 534 CA PHE A 38 4.620 1.094 4.773 1.00 0.00 C ATOM 535 C PHE A 38 3.192 1.356 5.129 1.00 0.00 C ATOM 536 O PHE A 38 2.772 2.529 5.226 1.00 0.00 O ATOM 537 CB PHE A 38 5.419 0.675 6.003 1.00 0.00 C ATOM 538 CG PHE A 38 6.803 0.166 5.684 1.00 0.00 C ATOM 539 CD1 PHE A 38 7.011 -1.176 5.408 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.888 1.022 5.655 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.274 -1.651 5.110 1.00 0.00 C ATOM 542 CE2 PHE A 38 9.153 0.557 5.358 1.00 0.00 C ATOM 543 CZ PHE A 38 9.348 -0.783 5.085 1.00 0.00 C ATOM 0 H PHE A 38 5.520 2.956 4.847 1.00 0.00 H new ATOM 0 HA PHE A 38 4.657 0.274 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.502 1.526 6.679 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.870 -0.102 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.175 -1.860 5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.744 2.071 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.421 -2.700 4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.989 1.240 5.339 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.337 -1.151 4.853 1.00 0.00 H new ATOM 553 N VAL A 39 2.433 0.305 5.285 1.00 0.00 N ATOM 554 CA VAL A 39 1.073 0.447 5.697 1.00 0.00 C ATOM 555 C VAL A 39 1.094 0.719 7.171 1.00 0.00 C ATOM 556 O VAL A 39 1.567 -0.094 7.955 1.00 0.00 O ATOM 557 CB VAL A 39 0.224 -0.807 5.396 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.245 -0.542 5.708 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.399 -1.224 3.945 1.00 0.00 C ATOM 0 H VAL A 39 2.738 -0.656 5.132 1.00 0.00 H new ATOM 0 HA VAL A 39 0.609 1.261 5.140 1.00 0.00 H new ATOM 0 HB VAL A 39 0.566 -1.623 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.830 -1.436 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.353 -0.285 6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.604 0.285 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.205 -2.109 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.079 -0.412 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.448 -1.450 3.755 1.00 0.00 H new ATOM 569 N LYS A 40 0.654 1.873 7.524 1.00 0.00 N ATOM 570 CA LYS A 40 0.701 2.320 8.874 1.00 0.00 C ATOM 571 C LYS A 40 -0.522 1.874 9.629 1.00 0.00 C ATOM 572 O LYS A 40 -0.425 1.282 10.693 1.00 0.00 O ATOM 573 CB LYS A 40 0.829 3.828 8.887 1.00 0.00 C ATOM 574 CG LYS A 40 0.669 4.459 10.232 1.00 0.00 C ATOM 575 CD LYS A 40 0.932 5.931 10.176 1.00 0.00 C ATOM 576 CE LYS A 40 0.681 6.545 11.513 1.00 0.00 C ATOM 577 NZ LYS A 40 0.945 7.994 11.507 1.00 0.00 N ATOM 0 H LYS A 40 0.245 2.545 6.875 1.00 0.00 H new ATOM 0 HA LYS A 40 1.566 1.882 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.806 4.099 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.082 4.248 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.341 4.282 10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.354 3.992 10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.962 6.113 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.290 6.395 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.353 6.365 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.313 6.063 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.760 8.385 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.938 8.165 11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.324 8.457 10.813 1.00 0.00 H new ATOM 591 N THR A 41 -1.660 2.145 9.079 1.00 0.00 N ATOM 592 CA THR A 41 -2.889 1.793 9.706 1.00 0.00 C ATOM 593 C THR A 41 -3.838 1.384 8.608 1.00 0.00 C ATOM 594 O THR A 41 -3.659 1.802 7.455 1.00 0.00 O ATOM 595 CB THR A 41 -3.530 2.996 10.398 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.521 3.911 10.869 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.361 2.551 11.587 1.00 0.00 C ATOM 0 H THR A 41 -1.763 2.617 8.181 1.00 0.00 H new ATOM 0 HA THR A 41 -2.699 1.010 10.440 1.00 0.00 H new ATOM 0 HB THR A 41 -4.167 3.492 9.665 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.951 4.675 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.808 3.423 12.065 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.149 1.878 11.249 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.723 2.032 12.303 1.00 0.00 H new ATOM 605 N VAL A 42 -4.818 0.619 8.935 1.00 0.00 N ATOM 606 CA VAL A 42 -5.820 0.239 8.006 1.00 0.00 C ATOM 607 C VAL A 42 -7.145 0.595 8.652 1.00 0.00 C ATOM 608 O VAL A 42 -7.227 0.636 9.888 1.00 0.00 O ATOM 609 CB VAL A 42 -5.794 -1.293 7.661 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.847 -1.637 6.618 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.438 -1.714 7.150 1.00 0.00 C ATOM 0 H VAL A 42 -4.948 0.234 9.871 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.655 0.757 7.061 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.012 -1.832 8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.806 -2.704 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.835 -1.383 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.655 -1.071 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.451 -2.779 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.198 -1.151 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.684 -1.517 7.912 1.00 0.00 H new ATOM 621 N THR A 43 -8.139 0.896 7.857 1.00 0.00 N ATOM 622 CA THR A 43 -9.442 1.211 8.362 1.00 0.00 C ATOM 623 C THR A 43 -10.038 -0.009 9.064 1.00 0.00 C ATOM 624 O THR A 43 -9.843 -1.171 8.647 1.00 0.00 O ATOM 625 CB THR A 43 -10.390 1.654 7.226 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.678 2.013 7.753 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.554 0.527 6.245 1.00 0.00 C ATOM 0 H THR A 43 -8.063 0.929 6.840 1.00 0.00 H new ATOM 0 HA THR A 43 -9.336 2.034 9.069 1.00 0.00 H new ATOM 0 HB THR A 43 -9.958 2.523 6.730 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.265 2.293 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.223 0.838 5.442 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.582 0.265 5.827 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.976 -0.340 6.754 1.00 0.00 H new ATOM 664 N ALA A 47 -13.651 -2.884 3.900 1.00 0.00 N ATOM 665 CA ALA A 47 -13.465 -4.216 3.356 1.00 0.00 C ATOM 666 C ALA A 47 -11.987 -4.670 3.301 1.00 0.00 C ATOM 667 O ALA A 47 -11.710 -5.768 2.918 1.00 0.00 O ATOM 668 CB ALA A 47 -14.100 -4.313 1.986 1.00 0.00 C ATOM 0 HA ALA A 47 -13.961 -4.899 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.954 -5.317 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.167 -4.105 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.637 -3.587 1.318 1.00 0.00 H new ATOM 674 N ALA A 48 -11.060 -3.824 3.726 1.00 0.00 N ATOM 675 CA ALA A 48 -9.650 -4.163 3.710 1.00 0.00 C ATOM 676 C ALA A 48 -9.367 -5.150 4.826 1.00 0.00 C ATOM 677 O ALA A 48 -8.853 -6.243 4.590 1.00 0.00 O ATOM 678 CB ALA A 48 -8.794 -2.914 3.852 1.00 0.00 C ATOM 0 H ALA A 48 -11.264 -2.892 4.088 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.397 -4.623 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.740 -3.192 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.002 -2.235 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.026 -2.419 4.795 1.00 0.00 H new ATOM 684 N GLN A 49 -9.758 -4.783 6.046 1.00 0.00 N ATOM 685 CA GLN A 49 -9.620 -5.680 7.174 1.00 0.00 C ATOM 686 C GLN A 49 -10.696 -6.768 7.168 1.00 0.00 C ATOM 687 O GLN A 49 -10.665 -7.692 7.970 1.00 0.00 O ATOM 688 CB GLN A 49 -9.530 -4.916 8.510 1.00 0.00 C ATOM 689 CG GLN A 49 -8.197 -4.195 8.657 1.00 0.00 C ATOM 690 CD GLN A 49 -7.982 -3.555 10.018 1.00 0.00 C ATOM 691 OE1 GLN A 49 -9.033 -3.070 10.613 1.00 0.00 O flip ATOM 692 NE2 GLN A 49 -6.841 -3.467 10.511 1.00 0.00 N flip ATOM 0 H GLN A 49 -10.169 -3.876 6.269 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.668 -6.200 7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.344 -4.193 8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.660 -5.613 9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.391 -4.904 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.127 -3.424 7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.040 -3.859 10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.708 -3.003 11.410 1.00 0.00 H new ATOM 701 N ARG A 50 -11.636 -6.652 6.244 1.00 0.00 N ATOM 702 CA ARG A 50 -12.624 -7.692 6.035 1.00 0.00 C ATOM 703 C ARG A 50 -12.069 -8.710 5.068 1.00 0.00 C ATOM 704 O ARG A 50 -12.287 -9.911 5.227 1.00 0.00 O ATOM 705 CB ARG A 50 -13.930 -7.122 5.504 1.00 0.00 C ATOM 706 CG ARG A 50 -14.632 -6.175 6.466 1.00 0.00 C ATOM 707 CD ARG A 50 -15.407 -6.904 7.571 1.00 0.00 C ATOM 708 NE ARG A 50 -14.586 -7.822 8.387 1.00 0.00 N ATOM 709 CZ ARG A 50 -14.338 -7.688 9.703 1.00 0.00 C ATOM 710 NH1 ARG A 50 -14.744 -6.604 10.370 1.00 0.00 N ATOM 711 NH2 ARG A 50 -13.679 -8.644 10.345 1.00 0.00 N ATOM 0 H ARG A 50 -11.734 -5.846 5.627 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.840 -8.166 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.731 -6.594 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.603 -7.946 5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.893 -5.517 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.320 -5.542 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.863 -6.163 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.220 -7.470 7.116 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.172 -8.625 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.249 -5.864 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.549 -6.516 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.364 -9.473 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.487 -8.550 11.342 1.00 0.00 H new ATOM 725 N ASP A 51 -11.339 -8.221 4.059 1.00 0.00 N ATOM 726 CA ASP A 51 -10.683 -9.118 3.097 1.00 0.00 C ATOM 727 C ASP A 51 -9.603 -9.909 3.832 1.00 0.00 C ATOM 728 O ASP A 51 -9.481 -11.109 3.670 1.00 0.00 O ATOM 729 CB ASP A 51 -10.070 -8.330 1.926 1.00 0.00 C ATOM 730 CG ASP A 51 -9.658 -9.206 0.742 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.656 -9.904 0.823 1.00 0.00 O ATOM 732 OD2 ASP A 51 -10.347 -9.185 -0.308 1.00 0.00 O ATOM 0 H ASP A 51 -11.188 -7.227 3.887 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.424 -9.797 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.790 -7.587 1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.197 -7.785 2.284 1.00 0.00 H new ATOM 737 N GLY A 52 -8.807 -9.207 4.641 1.00 0.00 N ATOM 738 CA GLY A 52 -7.829 -9.865 5.517 1.00 0.00 C ATOM 739 C GLY A 52 -6.532 -10.268 4.827 1.00 0.00 C ATOM 740 O GLY A 52 -5.525 -10.543 5.492 1.00 0.00 O ATOM 0 H GLY A 52 -8.818 -8.189 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.593 -9.195 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.288 -10.755 5.948 1.00 0.00 H new ATOM 744 N ARG A 53 -6.571 -10.316 3.512 1.00 0.00 N ATOM 745 CA ARG A 53 -5.434 -10.664 2.669 1.00 0.00 C ATOM 746 C ARG A 53 -4.341 -9.636 2.817 1.00 0.00 C ATOM 747 O ARG A 53 -3.151 -9.955 2.842 1.00 0.00 O ATOM 748 CB ARG A 53 -5.890 -10.569 1.283 1.00 0.00 C ATOM 749 CG ARG A 53 -5.140 -11.396 0.318 1.00 0.00 C ATOM 750 CD ARG A 53 -5.415 -10.897 -1.049 1.00 0.00 C ATOM 751 NE ARG A 53 -6.854 -10.568 -1.261 1.00 0.00 N ATOM 752 CZ ARG A 53 -7.426 -10.271 -2.430 1.00 0.00 C ATOM 753 NH1 ARG A 53 -6.762 -10.470 -3.567 1.00 0.00 N ATOM 754 NH2 ARG A 53 -8.682 -9.818 -2.455 1.00 0.00 N ATOM 0 H ARG A 53 -7.416 -10.109 2.980 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.066 -11.653 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.941 -10.855 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.830 -9.527 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.072 -11.349 0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.436 -12.441 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.812 -10.009 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.107 -11.649 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.456 -10.570 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.816 -10.850 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.200 -10.243 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.199 -9.701 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.124 -9.589 -3.345 1.00 0.00 H new ATOM 768 N ILE A 54 -4.766 -8.396 2.883 1.00 0.00 N ATOM 769 CA ILE A 54 -3.869 -7.285 2.992 1.00 0.00 C ATOM 770 C ILE A 54 -3.504 -7.140 4.466 1.00 0.00 C ATOM 771 O ILE A 54 -4.211 -7.703 5.339 1.00 0.00 O ATOM 772 CB ILE A 54 -4.547 -5.983 2.458 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.487 -4.934 2.115 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.561 -5.432 3.476 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.043 -3.651 1.526 1.00 0.00 C ATOM 0 H ILE A 54 -5.752 -8.135 2.862 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.973 -7.452 2.394 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.094 -6.228 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.927 -4.692 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.780 -5.367 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.019 -4.526 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.334 -6.178 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.050 -5.201 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.224 -2.964 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.578 -3.876 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.727 -3.190 2.238 1.00 0.00 H new ATOM 787 N GLN A 55 -2.455 -6.438 4.773 1.00 0.00 N ATOM 788 CA GLN A 55 -2.069 -6.315 6.137 1.00 0.00 C ATOM 789 C GLN A 55 -1.936 -4.860 6.543 1.00 0.00 C ATOM 790 O GLN A 55 -2.371 -3.961 5.834 1.00 0.00 O ATOM 791 CB GLN A 55 -0.760 -7.084 6.436 1.00 0.00 C ATOM 792 CG GLN A 55 -0.804 -8.593 6.182 1.00 0.00 C ATOM 793 CD GLN A 55 -0.079 -9.057 4.910 1.00 0.00 C ATOM 794 OE1 GLN A 55 0.430 -10.175 4.867 1.00 0.00 O ATOM 795 NE2 GLN A 55 0.014 -8.237 3.901 1.00 0.00 N ATOM 0 H GLN A 55 -1.861 -5.949 4.104 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.863 -6.766 6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.038 -6.655 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.493 -6.917 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.365 -9.104 7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.846 -8.906 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.414 -7.313 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.515 -8.520 3.059 1.00 0.00 H new ATOM 804 N VAL A 56 -1.420 -4.664 7.734 1.00 0.00 N ATOM 805 CA VAL A 56 -1.083 -3.363 8.246 1.00 0.00 C ATOM 806 C VAL A 56 0.410 -3.408 8.626 1.00 0.00 C ATOM 807 O VAL A 56 0.936 -2.570 9.343 1.00 0.00 O ATOM 808 CB VAL A 56 -1.955 -3.023 9.506 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.631 -3.917 10.702 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.860 -1.549 9.871 1.00 0.00 C ATOM 0 H VAL A 56 -1.220 -5.423 8.385 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.275 -2.592 7.500 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.989 -3.231 9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.263 -3.639 11.546 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.815 -4.958 10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.583 -3.792 10.976 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.477 -1.351 10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.823 -1.295 10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.212 -0.944 9.036 1.00 0.00 H new ATOM 820 N ASN A 57 1.082 -4.411 8.112 1.00 0.00 N ATOM 821 CA ASN A 57 2.477 -4.673 8.458 1.00 0.00 C ATOM 822 C ASN A 57 3.274 -4.957 7.205 1.00 0.00 C ATOM 823 O ASN A 57 4.399 -5.492 7.232 1.00 0.00 O ATOM 824 CB ASN A 57 2.572 -5.840 9.461 1.00 0.00 C ATOM 825 CG ASN A 57 2.061 -7.207 8.954 1.00 0.00 C ATOM 826 OD1 ASN A 57 2.120 -7.539 7.769 1.00 0.00 O ATOM 827 ND2 ASN A 57 1.554 -7.999 9.856 1.00 0.00 N ATOM 0 H ASN A 57 0.687 -5.072 7.443 1.00 0.00 H new ATOM 0 HA ASN A 57 2.899 -3.790 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.614 -5.952 9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.009 -5.572 10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.196 -8.915 9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.516 -7.703 10.831 1.00 0.00 H new ATOM 834 N ASP A 58 2.689 -4.599 6.136 1.00 0.00 N ATOM 835 CA ASP A 58 3.206 -4.779 4.818 1.00 0.00 C ATOM 836 C ASP A 58 3.529 -3.429 4.199 1.00 0.00 C ATOM 837 O ASP A 58 3.528 -2.391 4.894 1.00 0.00 O ATOM 838 CB ASP A 58 2.203 -5.594 3.960 1.00 0.00 C ATOM 839 CG ASP A 58 0.758 -5.073 4.010 1.00 0.00 C ATOM 840 OD1 ASP A 58 0.469 -4.211 4.835 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.107 -5.614 3.288 1.00 0.00 O ATOM 0 H ASP A 58 1.777 -4.142 6.143 1.00 0.00 H new ATOM 0 HA ASP A 58 4.134 -5.349 4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.542 -5.590 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.215 -6.631 4.296 1.00 0.00 H new ATOM 846 N GLN A 59 3.818 -3.421 2.925 1.00 0.00 N ATOM 847 CA GLN A 59 4.271 -2.227 2.272 1.00 0.00 C ATOM 848 C GLN A 59 3.513 -2.006 0.981 1.00 0.00 C ATOM 849 O GLN A 59 3.390 -2.924 0.176 1.00 0.00 O ATOM 850 CB GLN A 59 5.749 -2.377 1.953 1.00 0.00 C ATOM 851 CG GLN A 59 6.389 -1.116 1.427 1.00 0.00 C ATOM 852 CD GLN A 59 7.848 -1.266 1.095 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.321 -2.323 0.683 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.573 -0.218 1.310 1.00 0.00 N ATOM 0 H GLN A 59 3.746 -4.236 2.316 1.00 0.00 H new ATOM 0 HA GLN A 59 4.102 -1.376 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.276 -2.692 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.874 -3.171 1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.854 -0.794 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.275 -0.325 2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.140 0.640 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.578 -0.249 1.137 1.00 0.00 H new ATOM 863 N ILE A 60 3.033 -0.794 0.772 1.00 0.00 N ATOM 864 CA ILE A 60 2.349 -0.460 -0.458 1.00 0.00 C ATOM 865 C ILE A 60 3.392 -0.334 -1.554 1.00 0.00 C ATOM 866 O ILE A 60 4.111 0.639 -1.601 1.00 0.00 O ATOM 867 CB ILE A 60 1.596 0.893 -0.380 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.571 0.923 0.769 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.906 1.157 -1.705 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.524 -0.121 0.668 1.00 0.00 C ATOM 0 H ILE A 60 3.105 -0.026 1.440 1.00 0.00 H new ATOM 0 HA ILE A 60 1.618 -1.245 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 60 2.327 1.675 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.099 0.786 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.111 1.911 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.375 2.108 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.650 1.198 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.197 0.355 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.198 -0.024 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.083 0.026 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.079 -1.116 0.669 1.00 0.00 H new ATOM 882 N VAL A 61 3.478 -1.303 -2.411 1.00 0.00 N ATOM 883 CA VAL A 61 4.493 -1.291 -3.439 1.00 0.00 C ATOM 884 C VAL A 61 3.995 -0.505 -4.667 1.00 0.00 C ATOM 885 O VAL A 61 4.667 0.408 -5.161 1.00 0.00 O ATOM 886 CB VAL A 61 4.907 -2.756 -3.798 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.892 -2.832 -4.938 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.465 -3.464 -2.569 1.00 0.00 C ATOM 0 H VAL A 61 2.862 -2.116 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 61 5.384 -0.782 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 61 4.002 -3.262 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.138 -3.875 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.451 -2.387 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.799 -2.289 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.749 -4.483 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.340 -2.926 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.705 -3.490 -1.788 1.00 0.00 H new ATOM 898 N GLU A 62 2.808 -0.819 -5.114 1.00 0.00 N ATOM 899 CA GLU A 62 2.227 -0.159 -6.258 1.00 0.00 C ATOM 900 C GLU A 62 0.714 -0.224 -6.189 1.00 0.00 C ATOM 901 O GLU A 62 0.136 -1.296 -6.188 1.00 0.00 O ATOM 902 CB GLU A 62 2.735 -0.798 -7.562 1.00 0.00 C ATOM 903 CG GLU A 62 2.115 -0.227 -8.817 1.00 0.00 C ATOM 904 CD GLU A 62 2.646 -0.866 -10.062 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.710 -0.473 -10.520 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.988 -1.761 -10.619 1.00 0.00 O ATOM 0 H GLU A 62 2.216 -1.538 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 62 2.530 0.888 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.817 -0.674 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.538 -1.870 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.034 -0.360 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.303 0.846 -8.855 1.00 0.00 H new ATOM 913 N VAL A 63 0.078 0.915 -6.087 1.00 0.00 N ATOM 914 CA VAL A 63 -1.356 0.962 -6.074 1.00 0.00 C ATOM 915 C VAL A 63 -1.908 1.544 -7.351 1.00 0.00 C ATOM 916 O VAL A 63 -1.421 2.564 -7.827 1.00 0.00 O ATOM 917 CB VAL A 63 -1.894 1.705 -4.822 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.301 2.235 -5.048 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.906 0.730 -3.681 1.00 0.00 C ATOM 0 H VAL A 63 0.535 1.824 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.711 -0.067 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.251 2.559 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.645 2.749 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.297 2.932 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.971 1.405 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.280 1.224 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.553 -0.112 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.894 0.369 -3.500 1.00 0.00 H new ATOM 929 N ASP A 64 -2.867 0.825 -7.933 1.00 0.00 N ATOM 930 CA ASP A 64 -3.635 1.245 -9.132 1.00 0.00 C ATOM 931 C ASP A 64 -2.712 1.430 -10.358 1.00 0.00 C ATOM 932 O ASP A 64 -3.086 2.013 -11.364 1.00 0.00 O ATOM 933 CB ASP A 64 -4.437 2.536 -8.813 1.00 0.00 C ATOM 934 CG ASP A 64 -5.503 2.873 -9.839 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.580 2.225 -9.828 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.319 3.820 -10.637 1.00 0.00 O ATOM 0 H ASP A 64 -3.148 -0.091 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.341 0.456 -9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.910 2.425 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.743 3.373 -8.738 1.00 0.00 H new ATOM 941 N GLY A 65 -1.519 0.871 -10.265 1.00 0.00 N ATOM 942 CA GLY A 65 -0.530 0.985 -11.314 1.00 0.00 C ATOM 943 C GLY A 65 0.184 2.323 -11.293 1.00 0.00 C ATOM 944 O GLY A 65 0.935 2.648 -12.206 1.00 0.00 O ATOM 0 H GLY A 65 -1.211 0.326 -9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.202 0.184 -11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.013 0.849 -12.282 1.00 0.00 H new ATOM 948 N ILE A 66 -0.015 3.089 -10.223 1.00 0.00 N ATOM 949 CA ILE A 66 0.547 4.426 -10.126 1.00 0.00 C ATOM 950 C ILE A 66 2.068 4.374 -9.866 1.00 0.00 C ATOM 951 O ILE A 66 2.769 5.363 -10.056 1.00 0.00 O ATOM 952 CB ILE A 66 -0.181 5.266 -9.016 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.132 6.748 -9.384 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.469 5.043 -7.644 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.951 7.631 -8.484 1.00 0.00 C ATOM 0 H ILE A 66 -0.563 2.802 -9.412 1.00 0.00 H new ATOM 0 HA ILE A 66 0.387 4.922 -11.083 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.219 4.939 -8.956 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.905 7.084 -9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.481 6.869 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.054 5.636 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.408 3.987 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.515 5.347 -7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.863 8.667 -8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.996 7.324 -8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.588 7.543 -7.460 1.00 0.00 H new ATOM 967 N SER A 67 2.541 3.185 -9.472 1.00 0.00 N ATOM 968 CA SER A 67 3.933 2.919 -9.108 1.00 0.00 C ATOM 969 C SER A 67 4.551 4.012 -8.240 1.00 0.00 C ATOM 970 O SER A 67 5.291 4.878 -8.705 1.00 0.00 O ATOM 971 CB SER A 67 4.799 2.502 -10.320 1.00 0.00 C ATOM 972 OG SER A 67 4.582 3.338 -11.455 1.00 0.00 O ATOM 0 H SER A 67 1.946 2.360 -9.396 1.00 0.00 H new ATOM 0 HA SER A 67 3.914 2.042 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.852 2.539 -10.041 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.575 1.469 -10.585 1.00 0.00 H new ATOM 0 HG SER A 67 5.150 3.039 -12.195 1.00 0.00 H new ATOM 978 N LEU A 68 4.234 3.961 -6.966 1.00 0.00 N ATOM 979 CA LEU A 68 4.641 4.993 -6.029 1.00 0.00 C ATOM 980 C LEU A 68 5.982 4.648 -5.396 1.00 0.00 C ATOM 981 O LEU A 68 6.389 5.216 -4.387 1.00 0.00 O ATOM 982 CB LEU A 68 3.548 5.196 -4.986 1.00 0.00 C ATOM 983 CG LEU A 68 3.212 3.991 -4.134 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.713 4.171 -2.712 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.735 3.714 -4.182 1.00 0.00 C ATOM 0 H LEU A 68 3.689 3.207 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 68 4.777 5.934 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.849 6.010 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.641 5.519 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 68 3.725 3.120 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.458 3.291 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.795 4.301 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.246 5.051 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.508 2.845 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.190 4.579 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.435 3.517 -5.211 1.00 0.00 H new ATOM 997 N VAL A 69 6.638 3.693 -5.994 1.00 0.00 N ATOM 998 CA VAL A 69 7.985 3.312 -5.621 1.00 0.00 C ATOM 999 C VAL A 69 8.920 4.521 -5.764 1.00 0.00 C ATOM 1000 O VAL A 69 9.311 4.886 -6.873 1.00 0.00 O ATOM 1001 CB VAL A 69 8.522 2.137 -6.502 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.917 1.700 -6.058 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.565 0.954 -6.488 1.00 0.00 C ATOM 0 H VAL A 69 6.253 3.146 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 69 7.959 2.973 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 69 8.592 2.507 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.261 0.882 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.606 2.540 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.881 1.366 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.967 0.154 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.446 0.595 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.596 1.265 -6.878 1.00 0.00 H new ATOM 1013 N GLY A 70 9.173 5.181 -4.659 1.00 0.00 N ATOM 1014 CA GLY A 70 10.077 6.295 -4.646 1.00 0.00 C ATOM 1015 C GLY A 70 9.382 7.612 -4.358 1.00 0.00 C ATOM 1016 O GLY A 70 9.924 8.672 -4.657 1.00 0.00 O ATOM 0 H GLY A 70 8.760 4.960 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.847 6.124 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.582 6.359 -5.610 1.00 0.00 H new ATOM 1020 N VAL A 71 8.179 7.554 -3.803 1.00 0.00 N ATOM 1021 CA VAL A 71 7.448 8.775 -3.461 1.00 0.00 C ATOM 1022 C VAL A 71 7.471 9.009 -1.956 1.00 0.00 C ATOM 1023 O VAL A 71 7.963 8.167 -1.192 1.00 0.00 O ATOM 1024 CB VAL A 71 5.971 8.743 -3.936 1.00 0.00 C ATOM 1025 CG1 VAL A 71 5.884 8.443 -5.424 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.148 7.749 -3.118 1.00 0.00 C ATOM 0 H VAL A 71 7.690 6.687 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 71 7.955 9.588 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 71 5.545 9.733 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.838 8.426 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.414 9.215 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.337 7.473 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.118 7.749 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.570 6.750 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.168 8.038 -2.067 1.00 0.00 H new ATOM 1036 N THR A 72 6.922 10.120 -1.538 1.00 0.00 N ATOM 1037 CA THR A 72 6.846 10.462 -0.153 1.00 0.00 C ATOM 1038 C THR A 72 5.527 10.035 0.408 1.00 0.00 C ATOM 1039 O THR A 72 4.644 9.519 -0.312 1.00 0.00 O ATOM 1040 CB THR A 72 6.980 11.971 0.037 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.179 12.615 -0.965 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.425 12.415 -0.078 1.00 0.00 C ATOM 0 H THR A 72 6.513 10.816 -2.161 1.00 0.00 H new ATOM 0 HA THR A 72 7.660 9.953 0.363 1.00 0.00 H new ATOM 0 HB THR A 72 6.639 12.245 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.576 13.481 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.486 13.494 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.021 11.916 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.808 12.155 -1.065 1.00 0.00 H new ATOM 1050 N GLN A 73 5.364 10.290 1.667 1.00 0.00 N ATOM 1051 CA GLN A 73 4.178 9.948 2.368 1.00 0.00 C ATOM 1052 C GLN A 73 2.987 10.746 1.851 1.00 0.00 C ATOM 1053 O GLN A 73 1.909 10.224 1.731 1.00 0.00 O ATOM 1054 CB GLN A 73 4.378 10.116 3.892 1.00 0.00 C ATOM 1055 CG GLN A 73 4.396 11.522 4.451 1.00 0.00 C ATOM 1056 CD GLN A 73 5.438 12.407 3.793 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.149 13.160 2.880 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.643 12.203 4.121 1.00 0.00 N ATOM 0 H GLN A 73 6.068 10.751 2.244 1.00 0.00 H new ATOM 0 HA GLN A 73 3.957 8.897 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.584 9.565 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.319 9.637 4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.411 11.971 4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.588 11.479 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.862 11.568 4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.395 12.673 3.618 1.00 0.00 H new ATOM 1067 N ASN A 74 3.226 11.984 1.473 1.00 0.00 N ATOM 1068 CA ASN A 74 2.172 12.862 1.012 1.00 0.00 C ATOM 1069 C ASN A 74 1.646 12.434 -0.336 1.00 0.00 C ATOM 1070 O ASN A 74 0.478 12.666 -0.650 1.00 0.00 O ATOM 1071 CB ASN A 74 2.587 14.352 1.015 1.00 0.00 C ATOM 1072 CG ASN A 74 3.709 14.702 0.055 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.472 15.001 -1.119 1.00 0.00 O ATOM 1074 ND2 ASN A 74 4.921 14.710 0.540 1.00 0.00 N ATOM 0 H ASN A 74 4.153 12.409 1.477 1.00 0.00 H new ATOM 0 HA ASN A 74 1.358 12.770 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.715 14.958 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.892 14.628 2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.707 14.969 -0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.082 14.457 1.515 1.00 0.00 H new ATOM 1081 N PHE A 75 2.484 11.786 -1.123 1.00 0.00 N ATOM 1082 CA PHE A 75 2.042 11.265 -2.385 1.00 0.00 C ATOM 1083 C PHE A 75 1.216 10.020 -2.111 1.00 0.00 C ATOM 1084 O PHE A 75 0.068 9.901 -2.557 1.00 0.00 O ATOM 1085 CB PHE A 75 3.227 10.922 -3.292 1.00 0.00 C ATOM 1086 CG PHE A 75 2.828 10.524 -4.700 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.394 9.230 -4.993 1.00 0.00 C ATOM 1088 CD2 PHE A 75 2.878 11.448 -5.724 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.023 8.882 -6.271 1.00 0.00 C ATOM 1090 CE2 PHE A 75 2.508 11.102 -7.007 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.079 9.817 -7.281 1.00 0.00 C ATOM 0 H PHE A 75 3.465 11.613 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 75 1.447 12.018 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.894 11.783 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.793 10.107 -2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.349 8.492 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.211 12.455 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.688 7.877 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.554 11.836 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.788 9.546 -8.285 1.00 0.00 H new ATOM 1101 N ALA A 76 1.793 9.113 -1.336 1.00 0.00 N ATOM 1102 CA ALA A 76 1.143 7.858 -0.999 1.00 0.00 C ATOM 1103 C ALA A 76 -0.197 8.073 -0.276 1.00 0.00 C ATOM 1104 O ALA A 76 -1.198 7.469 -0.638 1.00 0.00 O ATOM 1105 CB ALA A 76 2.064 6.997 -0.182 1.00 0.00 C ATOM 0 H ALA A 76 2.720 9.227 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 76 0.917 7.344 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.564 6.060 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.968 6.787 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.329 7.518 0.738 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.223 8.995 0.685 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.435 9.318 1.469 1.00 0.00 C ATOM 1113 C ALA A 77 -2.518 9.932 0.597 1.00 0.00 C ATOM 1114 O ALA A 77 -3.649 10.136 1.036 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.100 10.268 2.605 1.00 0.00 C ATOM 0 H ALA A 77 0.593 9.546 0.950 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.813 8.382 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.005 10.493 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.367 9.803 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.687 11.191 2.198 1.00 0.00 H new ATOM 1121 N THR A 78 -2.155 10.272 -0.603 1.00 0.00 N ATOM 1122 CA THR A 78 -3.080 10.761 -1.551 1.00 0.00 C ATOM 1123 C THR A 78 -3.608 9.599 -2.405 1.00 0.00 C ATOM 1124 O THR A 78 -4.811 9.432 -2.531 1.00 0.00 O ATOM 1125 CB THR A 78 -2.438 11.863 -2.406 1.00 0.00 C ATOM 1126 OG1 THR A 78 -2.045 12.952 -1.551 1.00 0.00 O ATOM 1127 CG2 THR A 78 -3.383 12.354 -3.489 1.00 0.00 C ATOM 0 H THR A 78 -1.196 10.213 -0.944 1.00 0.00 H new ATOM 0 HA THR A 78 -3.930 11.210 -1.037 1.00 0.00 H new ATOM 0 HB THR A 78 -1.562 11.449 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.209 12.723 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.893 13.133 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.650 11.524 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.285 12.758 -3.029 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.712 8.771 -2.931 1.00 0.00 N ATOM 1136 CA VAL A 79 -3.119 7.626 -3.755 1.00 0.00 C ATOM 1137 C VAL A 79 -4.018 6.690 -2.957 1.00 0.00 C ATOM 1138 O VAL A 79 -5.130 6.412 -3.365 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.914 6.817 -4.284 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.376 5.726 -5.236 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.919 7.733 -4.943 1.00 0.00 C ATOM 0 H VAL A 79 -1.704 8.865 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.656 8.038 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.421 6.333 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.512 5.168 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.052 5.049 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.896 6.177 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.075 7.149 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.395 8.248 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.564 8.466 -4.219 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.552 6.293 -1.775 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.288 5.382 -0.867 1.00 0.00 C ATOM 1153 C LEU A 80 -5.549 6.044 -0.272 1.00 0.00 C ATOM 1154 O LEU A 80 -6.227 5.482 0.582 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.377 4.872 0.282 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.260 3.848 -0.059 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.826 2.637 -0.748 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.146 4.452 -0.889 1.00 0.00 C ATOM 0 H LEU A 80 -2.648 6.590 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.604 4.534 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.903 5.740 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.019 4.423 1.040 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.824 3.542 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.021 1.938 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.553 2.154 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.314 2.940 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.394 3.691 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.554 4.826 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.688 5.274 -0.340 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.813 7.239 -0.693 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.983 7.971 -0.305 1.00 0.00 C ATOM 1172 C ARG A 81 -7.920 8.083 -1.500 1.00 0.00 C ATOM 1173 O ARG A 81 -9.143 7.928 -1.391 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.535 9.344 0.066 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.614 10.284 0.474 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.083 11.675 0.391 1.00 0.00 C ATOM 1177 NE ARG A 81 -5.875 11.855 1.208 1.00 0.00 N ATOM 1178 CZ ARG A 81 -5.544 12.975 1.854 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.393 13.997 1.919 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -4.380 13.050 2.479 1.00 0.00 N ATOM 0 H ARG A 81 -5.206 7.750 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.496 7.476 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.819 9.265 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.004 9.775 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.482 10.170 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.945 10.064 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.857 11.915 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.850 12.376 0.720 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.239 11.061 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.308 13.929 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.129 14.848 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.742 12.255 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.121 13.903 2.974 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.314 8.331 -2.652 1.00 0.00 N ATOM 1195 CA ASN A 82 -8.018 8.588 -3.901 1.00 0.00 C ATOM 1196 C ASN A 82 -8.490 7.309 -4.566 1.00 0.00 C ATOM 1197 O ASN A 82 -9.176 7.347 -5.590 1.00 0.00 O ATOM 1198 CB ASN A 82 -7.161 9.415 -4.893 1.00 0.00 C ATOM 1199 CG ASN A 82 -7.044 10.914 -4.579 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -6.795 11.259 -3.348 1.00 0.00 O flip ATOM 1201 ND2 ASN A 82 -7.069 11.746 -5.488 1.00 0.00 N flip ATOM 0 H ASN A 82 -6.299 8.360 -2.747 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.896 9.176 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.158 8.989 -4.922 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.584 9.303 -5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.266 11.451 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.892 12.730 -5.284 1.00 0.00 H new ATOM 1208 N THR A 83 -8.119 6.199 -3.990 1.00 0.00 N ATOM 1209 CA THR A 83 -8.514 4.886 -4.447 1.00 0.00 C ATOM 1210 C THR A 83 -10.034 4.695 -4.415 1.00 0.00 C ATOM 1211 O THR A 83 -10.737 5.259 -3.549 1.00 0.00 O ATOM 1212 CB THR A 83 -7.865 3.832 -3.558 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.978 4.262 -2.192 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.408 3.635 -3.916 1.00 0.00 C ATOM 0 H THR A 83 -7.517 6.177 -3.167 1.00 0.00 H new ATOM 0 HA THR A 83 -8.185 4.782 -5.481 1.00 0.00 H new ATOM 0 HB THR A 83 -8.373 2.878 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.148 4.055 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.973 2.877 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.329 3.311 -4.954 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.872 4.575 -3.788 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.523 3.917 -5.340 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.924 3.586 -5.413 1.00 0.00 C ATOM 1224 C LYS A 84 -12.139 2.140 -4.971 1.00 0.00 C ATOM 1225 O LYS A 84 -11.211 1.536 -4.468 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.509 3.900 -6.826 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.613 3.557 -8.031 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.351 2.068 -8.184 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.415 1.775 -9.361 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.979 2.186 -10.669 1.00 0.00 N ATOM 0 H LYS A 84 -9.957 3.489 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.482 4.217 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.449 3.359 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.747 4.963 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.082 3.931 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.661 4.077 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.912 1.679 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.296 1.546 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.468 2.291 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.196 0.708 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.357 1.857 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.924 1.767 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.053 3.223 -10.705 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.369 1.644 -5.125 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.761 0.279 -4.760 1.00 0.00 C ATOM 1246 C GLY A 85 -12.726 -0.790 -5.062 1.00 0.00 C ATOM 1247 O GLY A 85 -12.088 -1.284 -4.151 1.00 0.00 O ATOM 0 H GLY A 85 -14.137 2.191 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.985 0.255 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.683 0.029 -5.285 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.549 -1.141 -6.317 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.568 -2.177 -6.662 1.00 0.00 C ATOM 1253 C ASN A 86 -10.190 -1.599 -6.758 1.00 0.00 C ATOM 1254 O ASN A 86 -9.855 -0.887 -7.717 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.912 -2.953 -7.942 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.036 -3.960 -7.766 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -12.800 -5.133 -7.441 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -14.255 -3.537 -7.983 1.00 0.00 N ATOM 0 H ASN A 86 -13.053 -0.742 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.602 -2.899 -5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.191 -2.244 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.021 -3.475 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.042 -4.178 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.418 -2.566 -8.249 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.404 -1.869 -5.767 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.069 -1.372 -5.714 1.00 0.00 C ATOM 1267 C VAL A 87 -7.124 -2.483 -6.047 1.00 0.00 C ATOM 1268 O VAL A 87 -7.365 -3.623 -5.691 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.669 -0.876 -4.322 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.487 0.073 -4.416 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.830 -0.278 -3.562 1.00 0.00 C ATOM 0 H VAL A 87 -9.672 -2.443 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.022 -0.541 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.356 -1.743 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.216 0.416 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.639 -0.445 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.757 0.930 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.490 0.057 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.230 0.571 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.609 -1.030 -3.438 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.084 -2.161 -6.733 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.034 -3.078 -7.013 1.00 0.00 C ATOM 1283 C ARG A 88 -3.840 -2.711 -6.184 1.00 0.00 C ATOM 1284 O ARG A 88 -3.115 -1.760 -6.499 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.700 -3.049 -8.483 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.786 -3.655 -9.326 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.661 -3.229 -10.758 1.00 0.00 C ATOM 1288 NE ARG A 88 -4.391 -3.637 -11.377 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.783 -2.995 -12.385 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -4.255 -1.830 -12.840 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -2.688 -3.508 -12.921 1.00 0.00 N ATOM 0 H ARG A 88 -5.936 -1.231 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.346 -4.092 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.533 -2.018 -8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.768 -3.588 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.737 -4.742 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.760 -3.357 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.488 -3.651 -11.329 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.754 -2.145 -10.817 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.937 -4.474 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.088 -1.418 -12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.782 -1.353 -13.608 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.311 -4.387 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.221 -3.024 -13.688 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.691 -3.379 -5.077 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.563 -3.150 -4.220 1.00 0.00 C ATOM 1307 C PHE A 89 -1.505 -4.135 -4.553 1.00 0.00 C ATOM 1308 O PHE A 89 -1.635 -5.297 -4.227 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.897 -3.365 -2.745 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.998 -2.552 -2.194 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.742 -1.311 -1.675 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.284 -3.037 -2.166 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.744 -0.558 -1.147 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.294 -2.287 -1.632 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.024 -1.047 -1.122 1.00 0.00 C ATOM 0 H PHE A 89 -4.341 -4.091 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.251 -2.117 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.144 -4.417 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.000 -3.166 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.733 -0.926 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.497 -4.016 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.531 0.423 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.303 -2.672 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.820 -0.453 -0.699 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.494 -3.727 -5.216 1.00 0.00 N ATOM 1326 CA VAL A 90 0.594 -4.607 -5.421 1.00 0.00 C ATOM 1327 C VAL A 90 1.473 -4.422 -4.231 1.00 0.00 C ATOM 1328 O VAL A 90 2.152 -3.422 -4.111 1.00 0.00 O ATOM 1329 CB VAL A 90 1.383 -4.324 -6.715 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.540 -5.311 -6.870 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.468 -4.389 -7.918 1.00 0.00 C ATOM 0 H VAL A 90 -0.393 -2.798 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 90 0.229 -5.628 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 90 1.798 -3.318 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.083 -5.093 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.215 -5.217 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.148 -6.327 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.041 -4.187 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.024 -5.382 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.322 -3.645 -7.815 1.00 0.00 H new ATOM 1341 N ILE A 91 1.279 -5.255 -3.286 1.00 0.00 N ATOM 1342 CA ILE A 91 2.044 -5.281 -2.092 1.00 0.00 C ATOM 1343 C ILE A 91 2.811 -6.565 -2.055 1.00 0.00 C ATOM 1344 O ILE A 91 2.418 -7.538 -2.675 1.00 0.00 O ATOM 1345 CB ILE A 91 1.074 -5.192 -0.903 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.422 -3.833 -0.900 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.720 -5.509 0.447 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.645 -3.708 0.096 1.00 0.00 C ATOM 0 H ILE A 91 0.553 -5.971 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 91 2.745 -4.448 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 91 0.319 -5.966 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.180 -3.074 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.012 -3.631 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.973 -5.425 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.118 -6.523 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.530 -4.804 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.073 -2.707 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.421 -4.445 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.235 -3.879 1.092 1.00 0.00 H new ATOM 1360 N GLY A 92 3.895 -6.565 -1.384 1.00 0.00 N ATOM 1361 CA GLY A 92 4.627 -7.744 -1.267 1.00 0.00 C ATOM 1362 C GLY A 92 4.718 -8.167 0.171 1.00 0.00 C ATOM 1363 O GLY A 92 4.559 -7.347 1.082 1.00 0.00 O ATOM 0 H GLY A 92 4.290 -5.754 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.155 -8.532 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.628 -7.599 -1.674 1.00 0.00 H new ATOM 1367 N ARG A 93 4.964 -9.417 0.373 1.00 0.00 N ATOM 1368 CA ARG A 93 5.093 -9.990 1.692 1.00 0.00 C ATOM 1369 C ARG A 93 6.370 -10.781 1.739 1.00 0.00 C ATOM 1370 O ARG A 93 6.615 -11.618 0.856 1.00 0.00 O ATOM 1371 CB ARG A 93 3.895 -10.917 1.966 1.00 0.00 C ATOM 1372 CG ARG A 93 3.839 -11.657 3.321 1.00 0.00 C ATOM 1373 CD ARG A 93 3.741 -10.729 4.529 1.00 0.00 C ATOM 1374 NE ARG A 93 5.047 -10.225 4.973 1.00 0.00 N ATOM 1375 CZ ARG A 93 5.250 -9.053 5.602 1.00 0.00 C ATOM 1376 NH1 ARG A 93 4.239 -8.204 5.821 1.00 0.00 N ATOM 1377 NH2 ARG A 93 6.457 -8.759 6.045 1.00 0.00 N ATOM 0 H ARG A 93 5.085 -10.092 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 93 5.112 -9.205 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.986 -10.322 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.867 -11.667 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.981 -12.330 3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.730 -12.277 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.097 -9.885 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.265 -11.262 5.352 1.00 0.00 H new ATOM 0 HE ARG A 93 5.863 -10.809 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.297 -8.441 5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.410 -7.320 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.224 -9.417 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.623 -7.874 6.523 1.00 0.00 H new ATOM 1391 N GLU A 94 7.220 -10.449 2.673 1.00 0.00 N ATOM 1392 CA GLU A 94 8.374 -11.248 2.934 1.00 0.00 C ATOM 1393 C GLU A 94 7.908 -12.364 3.845 1.00 0.00 C ATOM 1394 O GLU A 94 8.071 -13.541 3.487 1.00 0.00 O ATOM 1395 CB GLU A 94 9.561 -10.437 3.540 1.00 0.00 C ATOM 1396 CG GLU A 94 9.304 -9.815 4.903 1.00 0.00 C ATOM 1397 CD GLU A 94 10.490 -9.065 5.476 1.00 0.00 C ATOM 1398 OE1 GLU A 94 11.650 -9.504 5.301 1.00 0.00 O ATOM 1399 OE2 GLU A 94 10.273 -8.056 6.165 1.00 0.00 O ATOM 0 H GLU A 94 7.129 -9.624 3.266 1.00 0.00 H new ATOM 0 HA GLU A 94 8.783 -11.642 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.425 -11.096 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.828 -9.643 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.459 -9.131 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.014 -10.601 5.600 1.00 0.00 H new