USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 36:sc= 0.327! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -12.1! C(o=-19!,f=-12!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.16) USER MOD Set 2.2: A 103 THR OG1 : rot -140:sc= -2.03! USER MOD Set 3.1: A 40 HIS : no HE2:sc= -2.67! C(o=-3.6!,f=-12!) USER MOD Set 3.2: A 74 SER OG : rot 170:sc= -0.974 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -136:sc= 0 (180deg=-0.941) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -5.31! (180deg=-7.6!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00967) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.621 F(o=-2.7!,f=-0.62) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -1.09 (180deg=-2.03!) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.833 USER MOD Single : A 45 CYS SG : rot -93:sc= -0.114! USER MOD Single : A 47 GLN :FLIP amide:sc= -2.74! C(o=-6.1!,f=-2.7!) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 0.0254 (180deg=-0.208) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.44 F(o=-9.7!,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-4!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 122:sc= -4.28! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.327 USER MOD Single : A 80 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-2.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -1.93 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -132:sc= -2.11! (180deg=-4.59!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.699 (180deg=-0.832) USER MOD Single : A 118 GLN : amide:sc= -3! C(o=-3!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.993 -8.440 86.039 1.00 0.00 N ATOM 44 CA LYS A 4 -6.878 -8.002 87.457 1.00 0.00 C ATOM 45 C LYS A 4 -6.160 -9.076 88.279 1.00 0.00 C ATOM 46 O LYS A 4 -5.012 -8.925 88.646 1.00 0.00 O ATOM 47 CB LYS A 4 -8.277 -7.778 88.028 1.00 0.00 C ATOM 48 CG LYS A 4 -9.001 -6.707 87.207 1.00 0.00 C ATOM 49 CD LYS A 4 -10.248 -6.229 87.963 1.00 0.00 C ATOM 50 CE LYS A 4 -9.877 -5.077 88.903 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.011 -4.805 89.831 1.00 0.00 N ATOM 0 HA LYS A 4 -6.306 -7.075 87.503 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.842 -8.710 88.008 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.210 -7.468 89.071 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.333 -5.866 87.019 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.286 -7.111 86.235 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.010 -5.902 87.256 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.676 -7.053 88.534 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.982 -5.331 89.471 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.644 -4.183 88.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.758 -4.023 90.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.855 -4.545 89.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.213 -5.657 90.392 1.00 0.00 H new ATOM 65 N GLU A 5 -6.829 -10.157 88.576 1.00 0.00 N ATOM 66 CA GLU A 5 -6.187 -11.236 89.379 1.00 0.00 C ATOM 67 C GLU A 5 -4.814 -11.560 88.795 1.00 0.00 C ATOM 68 O GLU A 5 -3.957 -12.105 89.462 1.00 0.00 O ATOM 69 CB GLU A 5 -7.069 -12.488 89.350 1.00 0.00 C ATOM 70 CG GLU A 5 -8.224 -12.319 90.340 1.00 0.00 C ATOM 71 CD GLU A 5 -9.170 -13.517 90.237 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.687 -14.608 89.985 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.361 -13.322 90.415 1.00 0.00 O ATOM 0 H GLU A 5 -7.793 -10.339 88.297 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.069 -10.901 90.410 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.458 -12.649 88.345 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.480 -13.368 89.609 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.836 -12.236 91.355 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.765 -11.397 90.129 1.00 0.00 H new ATOM 80 N PHE A 6 -4.595 -11.226 87.554 1.00 0.00 N ATOM 81 CA PHE A 6 -3.276 -11.514 86.929 1.00 0.00 C ATOM 82 C PHE A 6 -2.223 -10.610 87.580 1.00 0.00 C ATOM 83 O PHE A 6 -1.419 -11.052 88.375 1.00 0.00 O ATOM 84 CB PHE A 6 -3.357 -11.236 85.419 1.00 0.00 C ATOM 85 CG PHE A 6 -2.331 -12.067 84.669 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.002 -12.143 85.115 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.718 -12.767 83.517 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.070 -12.917 84.412 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.785 -13.540 82.816 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.461 -13.616 83.263 1.00 0.00 C ATOM 0 H PHE A 6 -5.273 -10.766 86.946 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.003 -12.559 87.078 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.358 -11.467 85.054 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.185 -10.177 85.229 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.698 -11.604 86.000 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.739 -12.709 83.170 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.952 -12.975 84.757 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.087 -14.078 81.930 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.259 -14.213 82.722 1.00 0.00 H new ATOM 100 N MET A 7 -2.221 -9.348 87.244 1.00 0.00 N ATOM 101 CA MET A 7 -1.221 -8.412 87.836 1.00 0.00 C ATOM 102 C MET A 7 -1.353 -8.393 89.365 1.00 0.00 C ATOM 103 O MET A 7 -0.373 -8.362 90.082 1.00 0.00 O ATOM 104 CB MET A 7 -1.460 -7.001 87.281 1.00 0.00 C ATOM 105 CG MET A 7 -2.635 -6.338 88.009 1.00 0.00 C ATOM 106 SD MET A 7 -3.107 -4.824 87.133 1.00 0.00 S ATOM 107 CE MET A 7 -4.139 -5.592 85.859 1.00 0.00 C ATOM 0 H MET A 7 -2.871 -8.923 86.583 1.00 0.00 H new ATOM 0 HA MET A 7 -0.217 -8.747 87.574 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.560 -6.397 87.402 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.668 -7.053 86.212 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.481 -7.023 88.056 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.356 -6.105 89.037 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.912 -5.147 84.890 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.936 -6.662 85.823 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.190 -5.429 86.096 1.00 0.00 H new ATOM 117 N TRP A 8 -2.558 -8.387 89.865 1.00 0.00 N ATOM 118 CA TRP A 8 -2.762 -8.341 91.345 1.00 0.00 C ATOM 119 C TRP A 8 -1.971 -9.455 92.034 1.00 0.00 C ATOM 120 O TRP A 8 -1.761 -9.426 93.230 1.00 0.00 O ATOM 121 CB TRP A 8 -4.251 -8.510 91.653 1.00 0.00 C ATOM 122 CG TRP A 8 -4.531 -8.064 93.056 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.858 -8.885 94.083 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.521 -6.712 93.601 1.00 0.00 C ATOM 125 NE1 TRP A 8 -5.045 -8.122 95.223 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.849 -6.778 94.976 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.261 -5.449 93.042 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.915 -5.630 95.768 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.326 -4.292 93.836 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.654 -4.382 95.196 1.00 0.00 C ATOM 0 H TRP A 8 -3.415 -8.412 89.312 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.408 -7.380 91.719 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.846 -7.927 90.950 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.542 -9.553 91.528 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.957 -9.959 94.022 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.297 -8.506 96.134 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.010 -5.367 91.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.166 -5.706 96.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.122 -3.327 93.396 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.705 -3.488 95.801 1.00 0.00 H new ATOM 141 N ALA A 9 -1.537 -10.438 91.301 1.00 0.00 N ATOM 142 CA ALA A 9 -0.772 -11.549 91.928 1.00 0.00 C ATOM 143 C ALA A 9 0.716 -11.193 91.968 1.00 0.00 C ATOM 144 O ALA A 9 1.367 -11.313 92.989 1.00 0.00 O ATOM 145 CB ALA A 9 -0.979 -12.828 91.118 1.00 0.00 C ATOM 0 H ALA A 9 -1.678 -10.521 90.294 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.127 -11.706 92.947 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.419 -13.643 91.576 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.039 -13.080 91.101 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.627 -12.674 90.098 1.00 0.00 H new ATOM 151 N LEU A 10 1.256 -10.741 90.871 1.00 0.00 N ATOM 152 CA LEU A 10 2.695 -10.358 90.851 1.00 0.00 C ATOM 153 C LEU A 10 2.916 -9.273 91.902 1.00 0.00 C ATOM 154 O LEU A 10 4.015 -8.800 92.110 1.00 0.00 O ATOM 155 CB LEU A 10 3.078 -9.791 89.473 1.00 0.00 C ATOM 156 CG LEU A 10 2.924 -10.864 88.383 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.531 -10.782 87.744 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.980 -10.645 87.294 1.00 0.00 C ATOM 0 H LEU A 10 0.763 -10.620 89.987 1.00 0.00 H new ATOM 0 HA LEU A 10 3.307 -11.236 91.058 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.447 -8.934 89.239 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.107 -9.432 89.495 1.00 0.00 H new ATOM 0 HG LEU A 10 3.054 -11.845 88.841 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.438 -11.548 86.974 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.770 -10.941 88.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.394 -9.798 87.295 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.870 -11.406 86.522 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.847 -9.658 86.852 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.975 -10.715 87.733 1.00 0.00 H new ATOM 170 N LYS A 11 1.856 -8.844 92.526 1.00 0.00 N ATOM 171 CA LYS A 11 1.951 -7.750 93.526 1.00 0.00 C ATOM 172 C LYS A 11 2.177 -8.277 94.952 1.00 0.00 C ATOM 173 O LYS A 11 3.256 -8.163 95.503 1.00 0.00 O ATOM 174 CB LYS A 11 0.641 -6.963 93.469 1.00 0.00 C ATOM 175 CG LYS A 11 0.490 -6.093 94.717 1.00 0.00 C ATOM 176 CD LYS A 11 -0.406 -4.894 94.389 1.00 0.00 C ATOM 177 CE LYS A 11 -1.057 -4.355 95.664 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.210 -2.879 95.539 1.00 0.00 N ATOM 0 H LYS A 11 0.915 -9.211 92.382 1.00 0.00 H new ATOM 0 HA LYS A 11 2.809 -7.123 93.285 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.623 -6.337 92.577 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.201 -7.651 93.393 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.056 -6.675 95.530 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.467 -5.750 95.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.183 -4.110 93.914 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.176 -5.190 93.676 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.029 -4.823 95.818 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.445 -4.599 96.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.652 -2.502 96.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.275 -2.443 95.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.810 -2.660 94.718 1.00 0.00 H new ATOM 192 N ASN A 12 1.154 -8.798 95.574 1.00 0.00 N ATOM 193 CA ASN A 12 1.291 -9.266 96.986 1.00 0.00 C ATOM 194 C ASN A 12 1.957 -10.641 97.059 1.00 0.00 C ATOM 195 O ASN A 12 2.000 -11.256 98.105 1.00 0.00 O ATOM 196 CB ASN A 12 -0.102 -9.334 97.626 1.00 0.00 C ATOM 197 CG ASN A 12 -0.296 -8.145 98.574 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.445 -7.020 98.136 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.299 -8.346 99.865 1.00 0.00 N ATOM 0 H ASN A 12 0.227 -8.920 95.166 1.00 0.00 H new ATOM 0 HA ASN A 12 1.923 -8.560 97.524 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.869 -9.323 96.852 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.216 -10.270 98.173 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.426 -7.560 100.503 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.174 -9.288 100.235 1.00 0.00 H new ATOM 206 N GLY A 13 2.503 -11.123 95.984 1.00 0.00 N ATOM 207 CA GLY A 13 3.185 -12.438 96.042 1.00 0.00 C ATOM 208 C GLY A 13 2.186 -13.583 95.905 1.00 0.00 C ATOM 209 O GLY A 13 2.485 -14.708 96.253 1.00 0.00 O ATOM 0 H GLY A 13 2.507 -10.666 95.072 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.927 -12.502 95.246 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.722 -12.531 96.986 1.00 0.00 H new ATOM 213 N ASP A 14 1.013 -13.331 95.394 1.00 0.00 N ATOM 214 CA ASP A 14 0.041 -14.441 95.235 1.00 0.00 C ATOM 215 C ASP A 14 0.589 -15.383 94.174 1.00 0.00 C ATOM 216 O ASP A 14 -0.069 -15.736 93.216 1.00 0.00 O ATOM 217 CB ASP A 14 -1.312 -13.897 94.800 1.00 0.00 C ATOM 218 CG ASP A 14 -1.552 -12.531 95.445 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.727 -11.652 95.253 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.558 -12.386 96.121 1.00 0.00 O ATOM 0 H ASP A 14 0.690 -12.414 95.084 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.095 -14.966 96.181 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.347 -13.808 93.714 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.103 -14.590 95.088 1.00 0.00 H new ATOM 225 N LEU A 15 1.812 -15.760 94.355 1.00 0.00 N ATOM 226 CA LEU A 15 2.507 -16.655 93.401 1.00 0.00 C ATOM 227 C LEU A 15 1.592 -17.803 92.985 1.00 0.00 C ATOM 228 O LEU A 15 1.703 -18.341 91.902 1.00 0.00 O ATOM 229 CB LEU A 15 3.768 -17.184 94.102 1.00 0.00 C ATOM 230 CG LEU A 15 4.603 -18.080 93.179 1.00 0.00 C ATOM 231 CD1 LEU A 15 3.996 -19.486 93.092 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.700 -17.461 91.780 1.00 0.00 C ATOM 0 H LEU A 15 2.381 -15.476 95.153 1.00 0.00 H new ATOM 0 HA LEU A 15 2.779 -16.115 92.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.375 -16.344 94.439 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.481 -17.746 94.991 1.00 0.00 H new ATOM 0 HG LEU A 15 5.605 -18.162 93.599 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.604 -20.105 92.432 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.969 -19.933 94.086 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.983 -19.421 92.696 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.296 -18.108 91.136 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.700 -17.352 91.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.173 -16.482 91.848 1.00 0.00 H new ATOM 244 N ASP A 16 0.688 -18.183 93.830 1.00 0.00 N ATOM 245 CA ASP A 16 -0.233 -19.288 93.481 1.00 0.00 C ATOM 246 C ASP A 16 -1.160 -18.856 92.339 1.00 0.00 C ATOM 247 O ASP A 16 -1.625 -19.666 91.562 1.00 0.00 O ATOM 248 CB ASP A 16 -1.066 -19.629 94.708 1.00 0.00 C ATOM 249 CG ASP A 16 -0.141 -19.880 95.901 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.194 -18.922 96.578 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.220 -21.026 96.116 1.00 0.00 O ATOM 0 H ASP A 16 0.546 -17.774 94.753 1.00 0.00 H new ATOM 0 HA ASP A 16 0.340 -20.158 93.160 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.753 -18.813 94.932 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.674 -20.513 94.514 1.00 0.00 H new ATOM 256 N GLU A 17 -1.451 -17.587 92.247 1.00 0.00 N ATOM 257 CA GLU A 17 -2.372 -17.103 91.172 1.00 0.00 C ATOM 258 C GLU A 17 -1.638 -17.021 89.827 1.00 0.00 C ATOM 259 O GLU A 17 -2.141 -17.470 88.812 1.00 0.00 O ATOM 260 CB GLU A 17 -2.909 -15.723 91.556 1.00 0.00 C ATOM 261 CG GLU A 17 -4.155 -15.886 92.432 1.00 0.00 C ATOM 262 CD GLU A 17 -3.864 -16.886 93.555 1.00 0.00 C ATOM 263 OE1 GLU A 17 -2.990 -16.606 94.359 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.520 -17.914 93.590 1.00 0.00 O ATOM 0 H GLU A 17 -1.092 -16.862 92.869 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.198 -17.806 91.068 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.145 -15.160 92.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.154 -15.154 90.659 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.444 -14.923 92.854 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.993 -16.234 91.829 1.00 0.00 H new ATOM 271 N VAL A 18 -0.454 -16.472 89.800 1.00 0.00 N ATOM 272 CA VAL A 18 0.282 -16.398 88.503 1.00 0.00 C ATOM 273 C VAL A 18 0.608 -17.825 88.080 1.00 0.00 C ATOM 274 O VAL A 18 0.542 -18.181 86.921 1.00 0.00 O ATOM 275 CB VAL A 18 1.600 -15.621 88.673 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.470 -14.202 88.110 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.968 -15.548 90.156 1.00 0.00 C ATOM 0 H VAL A 18 0.031 -16.077 90.606 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.330 -15.888 87.759 1.00 0.00 H new ATOM 0 HB VAL A 18 2.382 -16.145 88.124 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.413 -13.671 88.241 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.226 -14.253 87.049 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.678 -13.672 88.639 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.901 -14.997 90.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.175 -15.038 90.703 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.090 -16.557 90.551 1.00 0.00 H new ATOM 287 N LYS A 19 0.954 -18.640 89.029 1.00 0.00 N ATOM 288 CA LYS A 19 1.285 -20.052 88.728 1.00 0.00 C ATOM 289 C LYS A 19 0.159 -20.684 87.910 1.00 0.00 C ATOM 290 O LYS A 19 0.387 -21.532 87.078 1.00 0.00 O ATOM 291 CB LYS A 19 1.435 -20.794 90.055 1.00 0.00 C ATOM 292 CG LYS A 19 1.864 -22.249 89.819 1.00 0.00 C ATOM 293 CD LYS A 19 3.317 -22.328 89.315 1.00 0.00 C ATOM 294 CE LYS A 19 4.263 -21.594 90.274 1.00 0.00 C ATOM 295 NZ LYS A 19 3.900 -21.928 91.679 1.00 0.00 N ATOM 0 H LYS A 19 1.022 -18.384 90.014 1.00 0.00 H new ATOM 0 HA LYS A 19 2.209 -20.110 88.153 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.173 -20.289 90.678 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.490 -20.772 90.598 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.767 -22.814 90.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.198 -22.713 89.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.620 -23.371 89.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.387 -21.889 88.320 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.295 -21.882 90.075 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.196 -20.518 90.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.718 -21.759 92.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.105 -21.330 91.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.623 -22.929 91.737 1.00 0.00 H new ATOM 309 N ASP A 20 -1.055 -20.286 88.154 1.00 0.00 N ATOM 310 CA ASP A 20 -2.204 -20.876 87.410 1.00 0.00 C ATOM 311 C ASP A 20 -2.130 -20.526 85.920 1.00 0.00 C ATOM 312 O ASP A 20 -2.144 -21.396 85.070 1.00 0.00 O ATOM 313 CB ASP A 20 -3.512 -20.336 87.989 1.00 0.00 C ATOM 314 CG ASP A 20 -4.685 -21.153 87.445 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.511 -21.793 86.420 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.737 -21.127 88.062 1.00 0.00 O ATOM 0 H ASP A 20 -1.305 -19.574 88.840 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.164 -21.960 87.515 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.490 -20.391 89.077 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.633 -19.285 87.725 1.00 0.00 H new ATOM 321 N TYR A 21 -2.065 -19.266 85.589 1.00 0.00 N ATOM 322 CA TYR A 21 -2.009 -18.888 84.146 1.00 0.00 C ATOM 323 C TYR A 21 -0.777 -19.518 83.491 1.00 0.00 C ATOM 324 O TYR A 21 -0.867 -20.166 82.469 1.00 0.00 O ATOM 325 CB TYR A 21 -1.927 -17.365 84.018 1.00 0.00 C ATOM 326 CG TYR A 21 -3.277 -16.756 84.318 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.630 -16.455 85.639 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.175 -16.491 83.276 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.880 -15.889 85.918 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.425 -15.925 83.556 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.778 -15.625 84.877 1.00 0.00 C ATOM 332 OH TYR A 21 -7.009 -15.068 85.154 1.00 0.00 O ATOM 0 H TYR A 21 -2.048 -18.487 86.247 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.908 -19.250 83.647 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.179 -16.972 84.707 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.609 -17.091 83.012 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.938 -16.659 86.443 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.903 -16.723 82.257 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.152 -15.656 86.937 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.117 -15.720 82.752 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.509 -14.949 84.320 1.00 0.00 H new ATOM 342 N VAL A 22 0.372 -19.322 84.065 1.00 0.00 N ATOM 343 CA VAL A 22 1.612 -19.898 83.479 1.00 0.00 C ATOM 344 C VAL A 22 1.619 -21.423 83.654 1.00 0.00 C ATOM 345 O VAL A 22 2.308 -22.128 82.943 1.00 0.00 O ATOM 346 CB VAL A 22 2.828 -19.270 84.167 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.095 -20.069 83.841 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.994 -17.828 83.673 1.00 0.00 C ATOM 0 H VAL A 22 0.508 -18.784 84.921 1.00 0.00 H new ATOM 0 HA VAL A 22 1.651 -19.679 82.412 1.00 0.00 H new ATOM 0 HB VAL A 22 2.673 -19.280 85.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.951 -19.611 84.336 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.979 -21.095 84.191 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.257 -20.070 82.763 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.858 -17.374 84.159 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.143 -17.828 82.593 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.099 -17.255 83.916 1.00 0.00 H new ATOM 358 N ALA A 23 0.866 -21.946 84.589 1.00 0.00 N ATOM 359 CA ALA A 23 0.855 -23.425 84.778 1.00 0.00 C ATOM 360 C ALA A 23 0.306 -24.078 83.514 1.00 0.00 C ATOM 361 O ALA A 23 0.491 -25.254 83.278 1.00 0.00 O ATOM 362 CB ALA A 23 -0.032 -23.804 85.969 1.00 0.00 C ATOM 0 H ALA A 23 0.265 -21.418 85.222 1.00 0.00 H new ATOM 0 HA ALA A 23 1.870 -23.770 84.973 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.030 -24.887 86.094 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.353 -23.333 86.874 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.051 -23.462 85.787 1.00 0.00 H new ATOM 368 N LYS A 24 -0.366 -23.318 82.694 1.00 0.00 N ATOM 369 CA LYS A 24 -0.925 -23.885 81.441 1.00 0.00 C ATOM 370 C LYS A 24 0.214 -24.472 80.612 1.00 0.00 C ATOM 371 O LYS A 24 0.385 -25.673 80.541 1.00 0.00 O ATOM 372 CB LYS A 24 -1.629 -22.781 80.644 1.00 0.00 C ATOM 373 CG LYS A 24 -3.105 -22.710 81.049 1.00 0.00 C ATOM 374 CD LYS A 24 -3.212 -22.431 82.549 1.00 0.00 C ATOM 375 CE LYS A 24 -4.669 -22.132 82.914 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.455 -23.398 82.885 1.00 0.00 N ATOM 0 H LYS A 24 -0.551 -22.326 82.841 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.647 -24.666 81.679 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.145 -21.822 80.828 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.545 -22.981 79.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.610 -21.925 80.486 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.605 -23.648 80.807 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.854 -23.291 83.115 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.578 -21.586 82.818 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.722 -21.680 83.905 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.091 -21.412 82.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.429 -23.209 83.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.470 -23.775 81.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.016 -24.094 83.521 1.00 0.00 H new ATOM 390 N GLY A 25 0.995 -23.640 79.984 1.00 0.00 N ATOM 391 CA GLY A 25 2.116 -24.169 79.163 1.00 0.00 C ATOM 392 C GLY A 25 3.005 -23.030 78.668 1.00 0.00 C ATOM 393 O GLY A 25 2.702 -22.368 77.696 1.00 0.00 O ATOM 0 H GLY A 25 0.907 -22.624 80.003 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.708 -24.869 79.753 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.720 -24.724 78.313 1.00 0.00 H new ATOM 397 N GLU A 26 4.108 -22.816 79.331 1.00 0.00 N ATOM 398 CA GLU A 26 5.058 -21.738 78.921 1.00 0.00 C ATOM 399 C GLU A 26 4.304 -20.532 78.349 1.00 0.00 C ATOM 400 O GLU A 26 4.131 -20.402 77.154 1.00 0.00 O ATOM 401 CB GLU A 26 6.057 -22.273 77.887 1.00 0.00 C ATOM 402 CG GLU A 26 5.359 -23.233 76.922 1.00 0.00 C ATOM 403 CD GLU A 26 6.364 -23.724 75.878 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.514 -23.055 74.869 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.967 -24.760 76.107 1.00 0.00 O ATOM 0 H GLU A 26 4.397 -23.349 80.151 1.00 0.00 H new ATOM 0 HA GLU A 26 5.604 -21.413 79.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.496 -21.444 77.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.875 -22.786 78.393 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.944 -24.079 77.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.525 -22.731 76.432 1.00 0.00 H new ATOM 412 N ASP A 27 3.881 -19.640 79.199 1.00 0.00 N ATOM 413 CA ASP A 27 3.166 -18.419 78.731 1.00 0.00 C ATOM 414 C ASP A 27 3.730 -17.232 79.503 1.00 0.00 C ATOM 415 O ASP A 27 3.035 -16.287 79.822 1.00 0.00 O ATOM 416 CB ASP A 27 1.667 -18.547 79.011 1.00 0.00 C ATOM 417 CG ASP A 27 1.039 -19.524 78.017 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.777 -20.102 77.236 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.171 -19.678 78.052 1.00 0.00 O ATOM 0 H ASP A 27 4.001 -19.705 80.210 1.00 0.00 H new ATOM 0 HA ASP A 27 3.305 -18.286 77.658 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.506 -18.897 80.031 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.187 -17.572 78.929 1.00 0.00 H new ATOM 424 N VAL A 28 4.993 -17.295 79.822 1.00 0.00 N ATOM 425 CA VAL A 28 5.633 -16.200 80.595 1.00 0.00 C ATOM 426 C VAL A 28 6.151 -15.120 79.641 1.00 0.00 C ATOM 427 O VAL A 28 7.331 -14.841 79.579 1.00 0.00 O ATOM 428 CB VAL A 28 6.789 -16.790 81.409 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.226 -17.788 82.424 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.764 -17.525 80.480 1.00 0.00 C ATOM 0 H VAL A 28 5.613 -18.067 79.577 1.00 0.00 H new ATOM 0 HA VAL A 28 4.907 -15.742 81.267 1.00 0.00 H new ATOM 0 HB VAL A 28 7.315 -15.984 81.921 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.043 -18.213 83.008 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.531 -17.277 83.090 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.703 -18.586 81.898 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.583 -17.941 81.067 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.240 -18.331 79.966 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.163 -16.826 79.745 1.00 0.00 H new ATOM 440 N ASN A 29 5.267 -14.504 78.907 1.00 0.00 N ATOM 441 CA ASN A 29 5.676 -13.439 77.962 1.00 0.00 C ATOM 442 C ASN A 29 4.413 -12.793 77.391 1.00 0.00 C ATOM 443 O ASN A 29 4.313 -12.519 76.212 1.00 0.00 O ATOM 444 CB ASN A 29 6.512 -14.041 76.832 1.00 0.00 C ATOM 445 CG ASN A 29 5.928 -15.390 76.416 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.221 -16.456 77.105 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.197 -15.475 75.448 1.00 0.00 N flip ATOM 0 H ASN A 29 4.266 -14.699 78.925 1.00 0.00 H new ATOM 0 HA ASN A 29 6.278 -12.690 78.477 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.528 -13.363 75.979 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.544 -14.167 77.159 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.967 -14.641 74.908 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.814 -16.380 75.176 1.00 0.00 H new ATOM 454 N ARG A 30 3.448 -12.552 78.238 1.00 0.00 N ATOM 455 CA ARG A 30 2.176 -11.923 77.794 1.00 0.00 C ATOM 456 C ARG A 30 2.177 -10.458 78.229 1.00 0.00 C ATOM 457 O ARG A 30 2.489 -10.143 79.359 1.00 0.00 O ATOM 458 CB ARG A 30 0.999 -12.637 78.462 1.00 0.00 C ATOM 459 CG ARG A 30 0.964 -14.105 78.029 1.00 0.00 C ATOM 460 CD ARG A 30 -0.193 -14.813 78.742 1.00 0.00 C ATOM 461 NE ARG A 30 -0.542 -16.080 78.021 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.841 -16.079 76.750 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.981 -14.950 76.111 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.047 -17.208 76.129 1.00 0.00 N ATOM 0 H ARG A 30 3.491 -12.769 79.234 1.00 0.00 H new ATOM 0 HA ARG A 30 2.084 -11.996 76.710 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.091 -12.571 79.546 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.064 -12.147 78.191 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.838 -14.175 76.949 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.909 -14.591 78.272 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.086 -15.036 79.772 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.062 -14.157 78.782 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.546 -16.962 78.534 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.857 -14.066 76.604 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.215 -14.952 75.118 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.974 -18.090 76.636 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.281 -17.209 75.136 1.00 0.00 H new ATOM 478 N THR A 31 1.829 -9.560 77.354 1.00 0.00 N ATOM 479 CA THR A 31 1.816 -8.126 77.751 1.00 0.00 C ATOM 480 C THR A 31 0.921 -7.960 78.978 1.00 0.00 C ATOM 481 O THR A 31 -0.292 -7.971 78.893 1.00 0.00 O ATOM 482 CB THR A 31 1.293 -7.262 76.602 1.00 0.00 C ATOM 483 OG1 THR A 31 1.835 -7.734 75.376 1.00 0.00 O ATOM 484 CG2 THR A 31 1.721 -5.810 76.825 1.00 0.00 C ATOM 0 H THR A 31 1.555 -9.753 76.390 1.00 0.00 H new ATOM 0 HA THR A 31 2.830 -7.806 77.988 1.00 0.00 H new ATOM 0 HB THR A 31 0.205 -7.318 76.565 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.501 -7.184 74.637 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.350 -5.192 76.008 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.310 -5.450 77.768 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.809 -5.752 76.858 1.00 0.00 H new ATOM 492 N LEU A 32 1.527 -7.825 80.122 1.00 0.00 N ATOM 493 CA LEU A 32 0.760 -7.676 81.390 1.00 0.00 C ATOM 494 C LEU A 32 -0.362 -6.642 81.232 1.00 0.00 C ATOM 495 O LEU A 32 -1.473 -6.966 80.862 1.00 0.00 O ATOM 496 CB LEU A 32 1.732 -7.230 82.489 1.00 0.00 C ATOM 497 CG LEU A 32 1.075 -7.345 83.873 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.169 -7.455 84.944 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.199 -6.111 84.150 1.00 0.00 C ATOM 0 H LEU A 32 2.541 -7.811 80.235 1.00 0.00 H new ATOM 0 HA LEU A 32 0.300 -8.629 81.652 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.632 -7.843 82.456 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.041 -6.200 82.312 1.00 0.00 H new ATOM 0 HG LEU A 32 0.445 -8.234 83.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.708 -7.537 85.928 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.777 -8.339 84.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.800 -6.567 84.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.261 -6.205 85.134 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.816 -5.213 84.122 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.580 -6.040 83.391 1.00 0.00 H new ATOM 511 N GLU A 33 -0.085 -5.406 81.541 1.00 0.00 N ATOM 512 CA GLU A 33 -1.132 -4.348 81.448 1.00 0.00 C ATOM 513 C GLU A 33 -1.416 -4.003 79.982 1.00 0.00 C ATOM 514 O GLU A 33 -2.451 -4.345 79.445 1.00 0.00 O ATOM 515 CB GLU A 33 -0.635 -3.107 82.200 1.00 0.00 C ATOM 516 CG GLU A 33 -1.429 -1.869 81.774 1.00 0.00 C ATOM 517 CD GLU A 33 -1.262 -0.767 82.826 1.00 0.00 C ATOM 518 OE1 GLU A 33 -0.211 -0.721 83.445 1.00 0.00 O ATOM 519 OE2 GLU A 33 -2.187 0.010 82.995 1.00 0.00 O ATOM 0 H GLU A 33 0.829 -5.080 81.856 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.060 -4.706 81.894 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.737 -3.260 83.274 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.425 -2.953 81.999 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.080 -1.516 80.804 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.483 -2.121 81.661 1.00 0.00 H new ATOM 526 N GLY A 34 -0.515 -3.322 79.330 1.00 0.00 N ATOM 527 CA GLY A 34 -0.753 -2.955 77.904 1.00 0.00 C ATOM 528 C GLY A 34 0.580 -2.879 77.163 1.00 0.00 C ATOM 529 O GLY A 34 0.627 -2.850 75.950 1.00 0.00 O ATOM 0 H GLY A 34 0.372 -3.004 79.720 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.401 -3.693 77.432 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.267 -1.996 77.846 1.00 0.00 H new ATOM 533 N GLY A 35 1.665 -2.844 77.881 1.00 0.00 N ATOM 534 CA GLY A 35 2.996 -2.766 77.213 1.00 0.00 C ATOM 535 C GLY A 35 4.084 -3.236 78.179 1.00 0.00 C ATOM 536 O GLY A 35 5.255 -2.986 77.975 1.00 0.00 O ATOM 0 H GLY A 35 1.690 -2.866 78.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.000 -3.385 76.316 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.195 -1.743 76.895 1.00 0.00 H new ATOM 540 N ARG A 36 3.703 -3.911 79.233 1.00 0.00 N ATOM 541 CA ARG A 36 4.711 -4.397 80.225 1.00 0.00 C ATOM 542 C ARG A 36 4.736 -5.930 80.245 1.00 0.00 C ATOM 543 O ARG A 36 3.999 -6.584 79.536 1.00 0.00 O ATOM 544 CB ARG A 36 4.339 -3.873 81.616 1.00 0.00 C ATOM 545 CG ARG A 36 3.681 -2.494 81.480 1.00 0.00 C ATOM 546 CD ARG A 36 3.777 -1.722 82.803 1.00 0.00 C ATOM 547 NE ARG A 36 4.813 -0.659 82.682 1.00 0.00 N ATOM 548 CZ ARG A 36 4.844 0.321 83.542 1.00 0.00 C ATOM 549 NH1 ARG A 36 3.957 0.379 84.498 1.00 0.00 N ATOM 550 NH2 ARG A 36 5.760 1.247 83.443 1.00 0.00 N ATOM 0 H ARG A 36 2.735 -4.148 79.451 1.00 0.00 H new ATOM 0 HA ARG A 36 5.699 -4.032 79.943 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.657 -4.567 82.108 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.229 -3.804 82.241 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.168 -1.928 80.686 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.636 -2.610 81.194 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.812 -1.278 83.049 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.031 -2.402 83.616 1.00 0.00 H new ATOM 0 HE ARG A 36 5.498 -0.697 81.927 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.240 -0.342 84.572 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.981 1.145 85.171 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.450 1.203 82.693 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.785 2.014 84.115 1.00 0.00 H new ATOM 564 N LYS A 37 5.584 -6.502 81.065 1.00 0.00 N ATOM 565 CA LYS A 37 5.673 -7.992 81.156 1.00 0.00 C ATOM 566 C LYS A 37 5.472 -8.404 82.631 1.00 0.00 C ATOM 567 O LYS A 37 5.351 -7.550 83.486 1.00 0.00 O ATOM 568 CB LYS A 37 7.044 -8.437 80.625 1.00 0.00 C ATOM 569 CG LYS A 37 8.129 -8.185 81.675 1.00 0.00 C ATOM 570 CD LYS A 37 8.086 -6.714 82.102 1.00 0.00 C ATOM 571 CE LYS A 37 9.400 -6.325 82.781 1.00 0.00 C ATOM 572 NZ LYS A 37 9.578 -4.848 82.683 1.00 0.00 N ATOM 0 H LYS A 37 6.222 -5.996 81.679 1.00 0.00 H new ATOM 0 HA LYS A 37 4.902 -8.474 80.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.016 -9.496 80.369 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.281 -7.894 79.710 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.973 -8.831 82.539 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.110 -8.429 81.267 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.915 -6.080 81.232 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.252 -6.550 82.785 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.390 -6.635 83.826 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.236 -6.837 82.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.204 -4.522 83.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.001 -4.610 81.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.653 -4.380 82.770 1.00 0.00 H new ATOM 586 N PRO A 38 5.392 -9.692 82.892 1.00 0.00 N ATOM 587 CA PRO A 38 5.160 -10.203 84.259 1.00 0.00 C ATOM 588 C PRO A 38 6.466 -10.282 85.064 1.00 0.00 C ATOM 589 O PRO A 38 6.662 -11.202 85.834 1.00 0.00 O ATOM 590 CB PRO A 38 4.607 -11.617 84.024 1.00 0.00 C ATOM 591 CG PRO A 38 4.970 -12.011 82.565 1.00 0.00 C ATOM 592 CD PRO A 38 5.511 -10.749 81.870 1.00 0.00 C ATOM 0 HA PRO A 38 4.493 -9.558 84.830 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.040 -12.323 84.733 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.527 -11.638 84.172 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.717 -12.805 82.556 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.094 -12.392 82.041 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.545 -10.882 81.553 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.933 -10.507 80.978 1.00 0.00 H new ATOM 600 N LEU A 39 7.364 -9.345 84.905 1.00 0.00 N ATOM 601 CA LEU A 39 8.640 -9.424 85.683 1.00 0.00 C ATOM 602 C LEU A 39 8.894 -8.105 86.420 1.00 0.00 C ATOM 603 O LEU A 39 9.612 -8.061 87.398 1.00 0.00 O ATOM 604 CB LEU A 39 9.801 -9.729 84.720 1.00 0.00 C ATOM 605 CG LEU A 39 11.065 -10.256 85.458 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.743 -10.846 86.840 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.716 -11.355 84.610 1.00 0.00 C ATOM 0 H LEU A 39 7.275 -8.542 84.283 1.00 0.00 H new ATOM 0 HA LEU A 39 8.565 -10.221 86.423 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.477 -10.469 83.988 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.057 -8.825 84.167 1.00 0.00 H new ATOM 0 HG LEU A 39 11.732 -9.406 85.601 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.662 -11.198 87.309 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.287 -10.079 87.466 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.051 -11.680 86.727 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.603 -11.730 85.120 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.008 -12.171 84.466 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.000 -10.946 83.640 1.00 0.00 H new ATOM 619 N HIS A 40 8.305 -7.032 85.977 1.00 0.00 N ATOM 620 CA HIS A 40 8.521 -5.734 86.678 1.00 0.00 C ATOM 621 C HIS A 40 7.703 -5.720 87.970 1.00 0.00 C ATOM 622 O HIS A 40 8.184 -5.331 89.014 1.00 0.00 O ATOM 623 CB HIS A 40 8.069 -4.585 85.780 1.00 0.00 C ATOM 624 CG HIS A 40 8.487 -3.276 86.390 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.905 -3.171 87.709 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.559 -2.008 85.872 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.206 -1.879 87.936 1.00 0.00 C ATOM 628 NE2 HIS A 40 9.012 -1.127 86.850 1.00 0.00 N ATOM 0 H HIS A 40 7.687 -6.995 85.166 1.00 0.00 H new ATOM 0 HA HIS A 40 9.580 -5.616 86.910 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.506 -4.692 84.787 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.986 -4.611 85.656 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.972 -3.933 88.383 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.303 -1.735 84.859 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.561 -1.497 88.882 1.00 0.00 H new ATOM 636 N TYR A 41 6.475 -6.157 87.913 1.00 0.00 N ATOM 637 CA TYR A 41 5.643 -6.182 89.147 1.00 0.00 C ATOM 638 C TYR A 41 6.227 -7.231 90.090 1.00 0.00 C ATOM 639 O TYR A 41 6.312 -7.036 91.286 1.00 0.00 O ATOM 640 CB TYR A 41 4.205 -6.549 88.784 1.00 0.00 C ATOM 641 CG TYR A 41 3.680 -5.538 87.797 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.068 -5.608 86.455 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.812 -4.525 88.224 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.589 -4.668 85.539 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.333 -3.586 87.307 1.00 0.00 C ATOM 646 CZ TYR A 41 2.721 -3.658 85.963 1.00 0.00 C ATOM 647 OH TYR A 41 2.247 -2.732 85.058 1.00 0.00 O ATOM 0 H TYR A 41 6.014 -6.496 87.069 1.00 0.00 H new ATOM 0 HA TYR A 41 5.643 -5.204 89.629 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.168 -7.550 88.355 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.582 -6.562 89.678 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.738 -6.389 86.127 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.513 -4.470 89.260 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.890 -4.722 84.503 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.663 -2.804 87.634 1.00 0.00 H new ATOM 0 HH TYR A 41 1.655 -2.100 85.516 1.00 0.00 H new ATOM 657 N ALA A 42 6.654 -8.336 89.544 1.00 0.00 N ATOM 658 CA ALA A 42 7.264 -9.399 90.383 1.00 0.00 C ATOM 659 C ALA A 42 8.601 -8.886 90.903 1.00 0.00 C ATOM 660 O ALA A 42 8.866 -8.895 92.085 1.00 0.00 O ATOM 661 CB ALA A 42 7.507 -10.645 89.531 1.00 0.00 C ATOM 0 H ALA A 42 6.605 -8.547 88.547 1.00 0.00 H new ATOM 0 HA ALA A 42 6.601 -9.651 91.211 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.955 -11.425 90.147 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.559 -11.000 89.128 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.181 -10.399 88.710 1.00 0.00 H new ATOM 667 N ALA A 43 9.446 -8.424 90.029 1.00 0.00 N ATOM 668 CA ALA A 43 10.753 -7.901 90.488 1.00 0.00 C ATOM 669 C ALA A 43 10.487 -6.753 91.457 1.00 0.00 C ATOM 670 O ALA A 43 10.897 -6.777 92.601 1.00 0.00 O ATOM 671 CB ALA A 43 11.546 -7.384 89.284 1.00 0.00 C ATOM 0 H ALA A 43 9.287 -8.387 89.022 1.00 0.00 H new ATOM 0 HA ALA A 43 11.328 -8.686 90.979 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.508 -6.999 89.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.708 -8.199 88.578 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.987 -6.586 88.795 1.00 0.00 H new ATOM 677 N ASP A 44 9.793 -5.749 91.000 1.00 0.00 N ATOM 678 CA ASP A 44 9.485 -4.581 91.869 1.00 0.00 C ATOM 679 C ASP A 44 8.750 -5.016 93.145 1.00 0.00 C ATOM 680 O ASP A 44 8.856 -4.374 94.171 1.00 0.00 O ATOM 681 CB ASP A 44 8.598 -3.611 91.093 1.00 0.00 C ATOM 682 CG ASP A 44 8.389 -2.343 91.918 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.892 -2.457 93.026 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.733 -1.279 91.431 1.00 0.00 O ATOM 0 H ASP A 44 9.422 -5.688 90.052 1.00 0.00 H new ATOM 0 HA ASP A 44 10.423 -4.105 92.156 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.060 -3.364 90.137 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.638 -4.077 90.872 1.00 0.00 H new ATOM 689 N CYS A 45 7.992 -6.081 93.100 1.00 0.00 N ATOM 690 CA CYS A 45 7.250 -6.504 94.327 1.00 0.00 C ATOM 691 C CYS A 45 6.717 -7.926 94.154 1.00 0.00 C ATOM 692 O CYS A 45 5.527 -8.156 94.126 1.00 0.00 O ATOM 693 CB CYS A 45 6.071 -5.552 94.558 1.00 0.00 C ATOM 694 SG CYS A 45 5.783 -4.566 93.067 1.00 0.00 S ATOM 0 H CYS A 45 7.855 -6.670 92.279 1.00 0.00 H new ATOM 0 HA CYS A 45 7.927 -6.475 95.181 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.175 -6.121 94.808 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.280 -4.897 95.404 1.00 0.00 H new ATOM 0 HG CYS A 45 6.434 -3.445 93.156 1.00 0.00 H new ATOM 700 N GLY A 46 7.588 -8.884 94.038 1.00 0.00 N ATOM 701 CA GLY A 46 7.129 -10.296 93.869 1.00 0.00 C ATOM 702 C GLY A 46 7.538 -11.123 95.084 1.00 0.00 C ATOM 703 O GLY A 46 7.782 -12.308 94.978 1.00 0.00 O ATOM 0 H GLY A 46 8.600 -8.755 94.052 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.046 -10.324 93.747 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.563 -10.723 92.965 1.00 0.00 H new ATOM 707 N GLN A 47 7.647 -10.518 96.235 1.00 0.00 N ATOM 708 CA GLN A 47 8.078 -11.300 97.423 1.00 0.00 C ATOM 709 C GLN A 47 9.363 -12.029 97.045 1.00 0.00 C ATOM 710 O GLN A 47 9.833 -12.910 97.738 1.00 0.00 O ATOM 711 CB GLN A 47 6.991 -12.306 97.799 1.00 0.00 C ATOM 712 CG GLN A 47 5.937 -11.615 98.663 1.00 0.00 C ATOM 713 CD GLN A 47 5.443 -10.345 97.967 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.074 -10.402 96.718 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.390 -9.290 98.568 1.00 0.00 N flip ATOM 0 H GLN A 47 7.459 -9.529 96.401 1.00 0.00 H new ATOM 0 HA GLN A 47 8.248 -10.648 98.280 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.530 -12.713 96.899 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.428 -13.145 98.341 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.101 -12.291 98.842 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.359 -11.366 99.637 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.679 -9.245 99.545 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.057 -8.450 98.095 1.00 0.00 H new ATOM 724 N LEU A 48 9.923 -11.629 95.935 1.00 0.00 N ATOM 725 CA LEU A 48 11.189 -12.218 95.422 1.00 0.00 C ATOM 726 C LEU A 48 11.002 -13.676 95.012 1.00 0.00 C ATOM 727 O LEU A 48 11.891 -14.298 94.468 1.00 0.00 O ATOM 728 CB LEU A 48 12.271 -12.096 96.479 1.00 0.00 C ATOM 729 CG LEU A 48 12.729 -10.626 96.629 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.067 -9.692 95.599 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.386 -10.123 98.033 1.00 0.00 C ATOM 0 H LEU A 48 9.539 -10.892 95.344 1.00 0.00 H new ATOM 0 HA LEU A 48 11.489 -11.666 94.531 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.896 -12.464 97.434 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.122 -12.721 96.209 1.00 0.00 H new ATOM 0 HG LEU A 48 13.805 -10.609 96.457 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.424 -8.673 95.750 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.323 -10.021 94.592 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.985 -9.720 95.725 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.709 -9.087 98.137 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.309 -10.184 98.188 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.895 -10.739 98.775 1.00 0.00 H new ATOM 743 N GLU A 49 9.859 -14.225 95.243 1.00 0.00 N ATOM 744 CA GLU A 49 9.621 -15.622 94.829 1.00 0.00 C ATOM 745 C GLU A 49 8.998 -15.626 93.432 1.00 0.00 C ATOM 746 O GLU A 49 9.252 -16.498 92.624 1.00 0.00 O ATOM 747 CB GLU A 49 8.662 -16.285 95.802 1.00 0.00 C ATOM 748 CG GLU A 49 8.910 -15.776 97.220 1.00 0.00 C ATOM 749 CD GLU A 49 8.117 -16.639 98.201 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.084 -17.153 97.805 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.557 -16.772 99.331 1.00 0.00 O ATOM 0 H GLU A 49 9.073 -13.766 95.703 1.00 0.00 H new ATOM 0 HA GLU A 49 10.565 -16.167 94.821 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.633 -16.077 95.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.790 -17.367 95.769 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.973 -15.818 97.455 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.606 -14.733 97.305 1.00 0.00 H new ATOM 758 N ILE A 50 8.160 -14.666 93.161 1.00 0.00 N ATOM 759 CA ILE A 50 7.475 -14.606 91.840 1.00 0.00 C ATOM 760 C ILE A 50 8.457 -14.338 90.700 1.00 0.00 C ATOM 761 O ILE A 50 8.419 -14.995 89.684 1.00 0.00 O ATOM 762 CB ILE A 50 6.428 -13.491 91.877 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.545 -13.669 93.139 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.602 -13.535 90.587 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.046 -13.601 92.818 1.00 0.00 C ATOM 0 H ILE A 50 7.918 -13.913 93.805 1.00 0.00 H new ATOM 0 HA ILE A 50 7.007 -15.573 91.655 1.00 0.00 H new ATOM 0 HB ILE A 50 6.904 -12.512 91.935 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.771 -14.628 93.605 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.794 -12.895 93.865 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.854 -12.743 90.607 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.259 -13.392 89.729 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.105 -14.502 90.506 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.471 -13.731 93.735 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.812 -12.632 92.378 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.789 -14.392 92.113 1.00 0.00 H new ATOM 777 N LEU A 51 9.310 -13.369 90.830 1.00 0.00 N ATOM 778 CA LEU A 51 10.235 -13.081 89.707 1.00 0.00 C ATOM 779 C LEU A 51 10.922 -14.377 89.262 1.00 0.00 C ATOM 780 O LEU A 51 10.931 -14.706 88.097 1.00 0.00 O ATOM 781 CB LEU A 51 11.294 -12.010 90.058 1.00 0.00 C ATOM 782 CG LEU A 51 11.479 -11.778 91.568 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.181 -11.315 92.250 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.003 -13.056 92.211 1.00 0.00 C ATOM 0 H LEU A 51 9.408 -12.772 91.651 1.00 0.00 H new ATOM 0 HA LEU A 51 9.637 -12.673 88.892 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.251 -12.306 89.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.011 -11.068 89.589 1.00 0.00 H new ATOM 0 HG LEU A 51 12.203 -10.975 91.703 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.363 -11.165 93.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.849 -10.378 91.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.410 -12.074 92.117 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.136 -12.897 93.281 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.289 -13.864 92.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.960 -13.323 91.762 1.00 0.00 H new ATOM 796 N GLU A 52 11.499 -15.114 90.168 1.00 0.00 N ATOM 797 CA GLU A 52 12.178 -16.381 89.768 1.00 0.00 C ATOM 798 C GLU A 52 11.195 -17.322 89.059 1.00 0.00 C ATOM 799 O GLU A 52 11.565 -18.049 88.165 1.00 0.00 O ATOM 800 CB GLU A 52 12.709 -17.126 91.002 1.00 0.00 C ATOM 801 CG GLU A 52 13.357 -16.171 92.006 1.00 0.00 C ATOM 802 CD GLU A 52 13.910 -16.989 93.175 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.418 -18.071 92.928 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.814 -16.523 94.299 1.00 0.00 O ATOM 0 H GLU A 52 11.531 -14.897 91.164 1.00 0.00 H new ATOM 0 HA GLU A 52 12.997 -16.109 89.102 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.890 -17.660 91.484 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.437 -17.874 90.689 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.157 -15.606 91.528 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.626 -15.446 92.364 1.00 0.00 H new ATOM 811 N PHE A 53 9.963 -17.355 89.496 1.00 0.00 N ATOM 812 CA PHE A 53 8.971 -18.302 88.905 1.00 0.00 C ATOM 813 C PHE A 53 8.816 -18.127 87.395 1.00 0.00 C ATOM 814 O PHE A 53 9.328 -18.904 86.624 1.00 0.00 O ATOM 815 CB PHE A 53 7.612 -18.081 89.561 1.00 0.00 C ATOM 816 CG PHE A 53 6.552 -18.770 88.734 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.637 -20.148 88.503 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.497 -18.031 88.185 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.668 -20.787 87.722 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.527 -18.671 87.406 1.00 0.00 C ATOM 821 CZ PHE A 53 4.613 -20.049 87.175 1.00 0.00 C ATOM 0 H PHE A 53 9.599 -16.762 90.242 1.00 0.00 H new ATOM 0 HA PHE A 53 9.341 -19.311 89.088 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.615 -18.477 90.576 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.398 -17.015 89.635 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.450 -20.718 88.928 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.432 -16.968 88.363 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.734 -21.850 87.541 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.712 -18.102 86.983 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.864 -20.543 86.574 1.00 0.00 H new ATOM 831 N LEU A 54 8.070 -17.156 86.963 1.00 0.00 N ATOM 832 CA LEU A 54 7.864 -17.000 85.500 1.00 0.00 C ATOM 833 C LEU A 54 9.215 -16.946 84.780 1.00 0.00 C ATOM 834 O LEU A 54 9.282 -16.932 83.568 1.00 0.00 O ATOM 835 CB LEU A 54 6.998 -15.755 85.212 1.00 0.00 C ATOM 836 CG LEU A 54 7.700 -14.423 85.560 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.551 -14.561 86.818 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.585 -13.953 84.396 1.00 0.00 C ATOM 0 H LEU A 54 7.598 -16.469 87.551 1.00 0.00 H new ATOM 0 HA LEU A 54 7.324 -17.865 85.115 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.725 -15.748 84.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.071 -15.827 85.781 1.00 0.00 H new ATOM 0 HG LEU A 54 6.921 -13.682 85.741 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.032 -13.608 87.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.917 -14.849 87.656 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.313 -15.324 86.660 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.069 -13.014 84.663 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.345 -14.707 84.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.970 -13.804 83.508 1.00 0.00 H new ATOM 850 N LEU A 55 10.297 -16.951 85.515 1.00 0.00 N ATOM 851 CA LEU A 55 11.642 -16.934 84.869 1.00 0.00 C ATOM 852 C LEU A 55 12.095 -18.379 84.639 1.00 0.00 C ATOM 853 O LEU A 55 12.764 -18.687 83.674 1.00 0.00 O ATOM 854 CB LEU A 55 12.641 -16.207 85.782 1.00 0.00 C ATOM 855 CG LEU A 55 13.725 -15.516 84.943 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.534 -14.568 85.836 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.660 -16.566 84.327 1.00 0.00 C ATOM 0 H LEU A 55 10.307 -16.966 86.535 1.00 0.00 H new ATOM 0 HA LEU A 55 11.593 -16.410 83.914 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.118 -15.470 86.391 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.101 -16.918 86.468 1.00 0.00 H new ATOM 0 HG LEU A 55 13.251 -14.948 84.142 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.304 -14.077 85.241 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.871 -13.816 86.263 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.003 -15.136 86.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.426 -16.067 83.733 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.134 -17.142 85.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.084 -17.236 83.688 1.00 0.00 H new ATOM 869 N LEU A 56 11.714 -19.271 85.512 1.00 0.00 N ATOM 870 CA LEU A 56 12.102 -20.697 85.340 1.00 0.00 C ATOM 871 C LEU A 56 11.690 -21.140 83.948 1.00 0.00 C ATOM 872 O LEU A 56 12.478 -21.650 83.179 1.00 0.00 O ATOM 873 CB LEU A 56 11.367 -21.577 86.358 1.00 0.00 C ATOM 874 CG LEU A 56 11.584 -21.055 87.779 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.790 -21.921 88.762 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.074 -21.116 88.131 1.00 0.00 C ATOM 0 H LEU A 56 11.150 -19.072 86.338 1.00 0.00 H new ATOM 0 HA LEU A 56 13.178 -20.796 85.486 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.301 -21.593 86.130 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.725 -22.604 86.284 1.00 0.00 H new ATOM 0 HG LEU A 56 11.243 -20.022 87.842 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.942 -21.552 89.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.730 -21.874 88.514 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.133 -22.954 88.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.224 -20.743 89.144 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.421 -22.148 88.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.639 -20.501 87.431 1.00 0.00 H new ATOM 888 N LYS A 57 10.450 -20.940 83.621 1.00 0.00 N ATOM 889 CA LYS A 57 9.965 -21.338 82.277 1.00 0.00 C ATOM 890 C LYS A 57 10.724 -20.511 81.240 1.00 0.00 C ATOM 891 O LYS A 57 11.907 -20.701 81.038 1.00 0.00 O ATOM 892 CB LYS A 57 8.455 -21.074 82.183 1.00 0.00 C ATOM 893 CG LYS A 57 7.688 -22.294 82.703 1.00 0.00 C ATOM 894 CD LYS A 57 8.133 -22.605 84.134 1.00 0.00 C ATOM 895 CE LYS A 57 7.140 -23.574 84.781 1.00 0.00 C ATOM 896 NZ LYS A 57 5.860 -22.863 85.058 1.00 0.00 N ATOM 0 H LYS A 57 9.748 -20.517 84.228 1.00 0.00 H new ATOM 0 HA LYS A 57 10.138 -22.399 82.097 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.193 -20.191 82.766 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.175 -20.869 81.150 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.616 -22.100 82.678 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.871 -23.154 82.059 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.132 -23.042 84.128 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.191 -21.685 84.716 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.961 -24.423 84.121 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.555 -23.972 85.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.270 -23.443 85.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.061 -21.951 85.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.354 -22.698 84.164 1.00 0.00 H new ATOM 910 N GLY A 58 10.080 -19.579 80.601 1.00 0.00 N ATOM 911 CA GLY A 58 10.805 -18.743 79.617 1.00 0.00 C ATOM 912 C GLY A 58 11.796 -17.867 80.383 1.00 0.00 C ATOM 913 O GLY A 58 12.446 -18.321 81.304 1.00 0.00 O ATOM 0 H GLY A 58 9.090 -19.363 80.718 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.329 -19.371 78.896 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.106 -18.125 79.053 1.00 0.00 H new ATOM 917 N ALA A 59 11.904 -16.614 80.035 1.00 0.00 N ATOM 918 CA ALA A 59 12.845 -15.723 80.771 1.00 0.00 C ATOM 919 C ALA A 59 12.835 -14.312 80.173 1.00 0.00 C ATOM 920 O ALA A 59 13.681 -13.963 79.374 1.00 0.00 O ATOM 921 CB ALA A 59 14.269 -16.290 80.700 1.00 0.00 C ATOM 0 H ALA A 59 11.385 -16.171 79.277 1.00 0.00 H new ATOM 0 HA ALA A 59 12.521 -15.671 81.810 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.950 -15.632 81.240 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.288 -17.282 81.151 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.582 -16.359 79.658 1.00 0.00 H new ATOM 927 N ASP A 60 11.907 -13.488 80.586 1.00 0.00 N ATOM 928 CA ASP A 60 11.868 -12.089 80.080 1.00 0.00 C ATOM 929 C ASP A 60 13.037 -11.346 80.723 1.00 0.00 C ATOM 930 O ASP A 60 13.201 -10.149 80.585 1.00 0.00 O ATOM 931 CB ASP A 60 10.541 -11.435 80.481 1.00 0.00 C ATOM 932 CG ASP A 60 10.407 -10.076 79.795 1.00 0.00 C ATOM 933 OD1 ASP A 60 11.057 -9.144 80.240 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.656 -9.989 78.837 1.00 0.00 O ATOM 0 H ASP A 60 11.174 -13.727 81.254 1.00 0.00 H new ATOM 0 HA ASP A 60 11.947 -12.060 78.993 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.708 -12.079 80.199 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.498 -11.312 81.563 1.00 0.00 H new ATOM 939 N ILE A 61 13.846 -12.082 81.435 1.00 0.00 N ATOM 940 CA ILE A 61 15.031 -11.504 82.127 1.00 0.00 C ATOM 941 C ILE A 61 15.909 -10.746 81.126 1.00 0.00 C ATOM 942 O ILE A 61 16.725 -9.927 81.500 1.00 0.00 O ATOM 943 CB ILE A 61 15.827 -12.666 82.728 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.975 -12.136 83.597 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.390 -13.523 81.592 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.984 -13.259 83.870 1.00 0.00 C ATOM 0 H ILE A 61 13.731 -13.087 81.569 1.00 0.00 H new ATOM 0 HA ILE A 61 14.714 -10.807 82.902 1.00 0.00 H new ATOM 0 HB ILE A 61 15.169 -13.267 83.355 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.470 -11.305 83.094 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.583 -11.751 84.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.959 -14.353 82.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.570 -13.912 80.989 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.043 -12.915 80.967 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.796 -12.876 84.487 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.486 -14.077 84.392 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.387 -13.624 82.925 1.00 0.00 H new ATOM 958 N ASN A 62 15.761 -11.024 79.858 1.00 0.00 N ATOM 959 CA ASN A 62 16.610 -10.339 78.830 1.00 0.00 C ATOM 960 C ASN A 62 15.770 -9.958 77.603 1.00 0.00 C ATOM 961 O ASN A 62 15.871 -8.869 77.077 1.00 0.00 O ATOM 962 CB ASN A 62 17.717 -11.308 78.400 1.00 0.00 C ATOM 963 CG ASN A 62 17.080 -12.583 77.839 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.103 -13.152 78.491 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.475 -13.063 76.795 1.00 0.00 N flip ATOM 0 H ASN A 62 15.090 -11.696 79.486 1.00 0.00 H new ATOM 0 HA ASN A 62 17.033 -9.429 79.256 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.352 -10.842 77.646 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.356 -11.550 79.250 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.239 -12.618 76.286 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.043 -13.911 76.428 1.00 0.00 H new ATOM 972 N ALA A 63 14.936 -10.856 77.168 1.00 0.00 N ATOM 973 CA ALA A 63 14.048 -10.610 75.980 1.00 0.00 C ATOM 974 C ALA A 63 13.799 -9.107 75.703 1.00 0.00 C ATOM 975 O ALA A 63 13.954 -8.673 74.577 1.00 0.00 O ATOM 976 CB ALA A 63 12.704 -11.306 76.215 1.00 0.00 C ATOM 0 H ALA A 63 14.823 -11.777 77.591 1.00 0.00 H new ATOM 0 HA ALA A 63 14.560 -11.013 75.106 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.051 -11.135 75.359 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.866 -12.377 76.339 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.238 -10.903 77.114 1.00 0.00 H new ATOM 982 N PRO A 64 13.402 -8.357 76.717 1.00 0.00 N ATOM 983 CA PRO A 64 13.109 -6.918 76.592 1.00 0.00 C ATOM 984 C PRO A 64 13.758 -6.252 75.371 1.00 0.00 C ATOM 985 O PRO A 64 14.926 -6.416 75.079 1.00 0.00 O ATOM 986 CB PRO A 64 13.603 -6.366 77.929 1.00 0.00 C ATOM 987 CG PRO A 64 13.514 -7.556 78.933 1.00 0.00 C ATOM 988 CD PRO A 64 13.238 -8.829 78.101 1.00 0.00 C ATOM 0 HA PRO A 64 12.054 -6.716 76.409 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.626 -5.998 77.847 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.988 -5.528 78.258 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.442 -7.656 79.495 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.718 -7.390 79.659 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.939 -9.629 78.341 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.236 -9.219 78.279 1.00 0.00 H new ATOM 996 N ASP A 65 12.957 -5.493 74.660 1.00 0.00 N ATOM 997 CA ASP A 65 13.424 -4.773 73.440 1.00 0.00 C ATOM 998 C ASP A 65 12.750 -3.398 73.419 1.00 0.00 C ATOM 999 O ASP A 65 13.361 -2.391 73.111 1.00 0.00 O ATOM 1000 CB ASP A 65 13.000 -5.552 72.188 1.00 0.00 C ATOM 1001 CG ASP A 65 13.969 -6.708 71.940 1.00 0.00 C ATOM 1002 OD1 ASP A 65 15.165 -6.469 71.962 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.499 -7.814 71.727 1.00 0.00 O ATOM 0 H ASP A 65 11.974 -5.341 74.884 1.00 0.00 H new ATOM 0 HA ASP A 65 14.510 -4.675 73.452 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.987 -5.936 72.314 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.984 -4.888 71.324 1.00 0.00 H new ATOM 1008 N LYS A 66 11.489 -3.362 73.758 1.00 0.00 N ATOM 1009 CA LYS A 66 10.743 -2.081 73.783 1.00 0.00 C ATOM 1010 C LYS A 66 11.033 -1.380 75.102 1.00 0.00 C ATOM 1011 O LYS A 66 11.028 -0.171 75.202 1.00 0.00 O ATOM 1012 CB LYS A 66 9.254 -2.393 73.703 1.00 0.00 C ATOM 1013 CG LYS A 66 8.479 -1.129 73.336 1.00 0.00 C ATOM 1014 CD LYS A 66 8.341 -0.202 74.561 1.00 0.00 C ATOM 1015 CE LYS A 66 6.926 0.385 74.619 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.866 1.423 75.688 1.00 0.00 N ATOM 0 H LYS A 66 10.941 -4.181 74.022 1.00 0.00 H new ATOM 0 HA LYS A 66 11.040 -1.445 72.949 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.075 -3.169 72.959 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.903 -2.781 74.659 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.991 -0.603 72.531 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.491 -1.397 72.963 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.550 -0.759 75.474 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.075 0.602 74.503 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.662 0.822 73.656 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.201 -0.403 74.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.907 1.823 75.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.101 0.991 76.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.548 2.179 75.476 1.00 0.00 H new ATOM 1030 N HIS A 67 11.298 -2.147 76.111 1.00 0.00 N ATOM 1031 CA HIS A 67 11.607 -1.573 77.436 1.00 0.00 C ATOM 1032 C HIS A 67 13.059 -1.109 77.428 1.00 0.00 C ATOM 1033 O HIS A 67 13.546 -0.544 78.386 1.00 0.00 O ATOM 1034 CB HIS A 67 11.427 -2.673 78.480 1.00 0.00 C ATOM 1035 CG HIS A 67 9.965 -2.862 78.776 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.132 -1.805 79.108 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.175 -3.983 78.793 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.901 -2.309 79.310 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.873 -3.632 79.130 1.00 0.00 N ATOM 0 H HIS A 67 11.314 -3.166 76.072 1.00 0.00 H new ATOM 0 HA HIS A 67 10.953 -0.732 77.665 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.857 -3.606 78.116 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.961 -2.411 79.393 1.00 0.00 H new ATOM 0 HD1 HIS A 67 9.403 -0.825 79.185 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.513 -4.986 78.577 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.041 -1.716 79.584 1.00 0.00 H new ATOM 1047 N HIS A 68 13.753 -1.351 76.347 1.00 0.00 N ATOM 1048 CA HIS A 68 15.182 -0.944 76.260 1.00 0.00 C ATOM 1049 C HIS A 68 15.870 -1.233 77.589 1.00 0.00 C ATOM 1050 O HIS A 68 16.872 -0.630 77.922 1.00 0.00 O ATOM 1051 CB HIS A 68 15.269 0.557 75.960 1.00 0.00 C ATOM 1052 CG HIS A 68 16.490 0.836 75.124 1.00 0.00 C ATOM 1053 ND1 HIS A 68 17.708 1.186 75.684 1.00 0.00 N ATOM 1054 CD2 HIS A 68 16.692 0.818 73.768 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.581 1.363 74.676 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.012 1.152 73.485 1.00 0.00 N ATOM 0 H HIS A 68 13.387 -1.816 75.517 1.00 0.00 H new ATOM 0 HA HIS A 68 15.672 -1.504 75.463 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.373 0.885 75.433 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.317 1.122 76.891 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.939 0.580 73.031 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.615 1.642 74.812 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.451 1.221 72.567 1.00 0.00 H new ATOM 1064 N ILE A 69 15.333 -2.137 78.363 1.00 0.00 N ATOM 1065 CA ILE A 69 15.953 -2.432 79.679 1.00 0.00 C ATOM 1066 C ILE A 69 15.544 -3.815 80.182 1.00 0.00 C ATOM 1067 O ILE A 69 14.468 -4.306 79.902 1.00 0.00 O ATOM 1068 CB ILE A 69 15.477 -1.377 80.691 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.680 -0.802 81.437 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.486 -1.990 81.698 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.423 -1.916 82.192 1.00 0.00 C ATOM 0 H ILE A 69 14.498 -2.679 78.140 1.00 0.00 H new ATOM 0 HA ILE A 69 17.037 -2.410 79.569 1.00 0.00 H new ATOM 0 HB ILE A 69 14.967 -0.582 80.147 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.356 -0.318 80.732 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.349 -0.036 82.139 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.164 -1.224 82.403 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.619 -2.380 81.164 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.973 -2.801 82.240 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.278 -1.491 82.719 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.748 -2.381 82.911 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.771 -2.667 81.483 1.00 0.00 H new ATOM 1083 N THR A 70 16.387 -4.421 80.969 1.00 0.00 N ATOM 1084 CA THR A 70 16.055 -5.740 81.553 1.00 0.00 C ATOM 1085 C THR A 70 15.589 -5.508 83.010 1.00 0.00 C ATOM 1086 O THR A 70 15.947 -4.510 83.605 1.00 0.00 O ATOM 1087 CB THR A 70 17.292 -6.624 81.478 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.248 -7.588 82.511 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.554 -5.759 81.600 1.00 0.00 C ATOM 0 H THR A 70 17.300 -4.051 81.233 1.00 0.00 H new ATOM 0 HA THR A 70 15.253 -6.241 81.011 1.00 0.00 H new ATOM 0 HB THR A 70 17.316 -7.140 80.518 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.290 -8.487 82.122 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.438 -6.395 81.546 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.578 -5.034 80.786 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.544 -5.233 82.555 1.00 0.00 H new ATOM 1097 N PRO A 71 14.752 -6.391 83.524 1.00 0.00 N ATOM 1098 CA PRO A 71 14.175 -6.243 84.885 1.00 0.00 C ATOM 1099 C PRO A 71 15.202 -6.270 86.035 1.00 0.00 C ATOM 1100 O PRO A 71 14.864 -5.903 87.139 1.00 0.00 O ATOM 1101 CB PRO A 71 13.202 -7.429 85.026 1.00 0.00 C ATOM 1102 CG PRO A 71 13.137 -8.143 83.654 1.00 0.00 C ATOM 1103 CD PRO A 71 14.301 -7.601 82.809 1.00 0.00 C ATOM 0 HA PRO A 71 13.708 -5.262 84.972 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.544 -8.116 85.800 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.213 -7.080 85.324 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.220 -9.223 83.777 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.183 -7.950 83.164 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.104 -8.333 82.725 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.978 -7.364 81.795 1.00 0.00 H new ATOM 1111 N LEU A 72 16.423 -6.691 85.848 1.00 0.00 N ATOM 1112 CA LEU A 72 17.329 -6.684 87.030 1.00 0.00 C ATOM 1113 C LEU A 72 17.433 -5.253 87.552 1.00 0.00 C ATOM 1114 O LEU A 72 17.456 -5.020 88.743 1.00 0.00 O ATOM 1115 CB LEU A 72 18.749 -7.204 86.718 1.00 0.00 C ATOM 1116 CG LEU A 72 18.825 -8.078 85.454 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.560 -8.932 85.263 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.063 -7.183 84.240 1.00 0.00 C ATOM 0 H LEU A 72 16.820 -7.025 84.970 1.00 0.00 H new ATOM 0 HA LEU A 72 16.899 -7.359 87.770 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.420 -6.353 86.601 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.110 -7.780 87.570 1.00 0.00 H new ATOM 0 HG LEU A 72 19.656 -8.774 85.567 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.659 -9.532 84.358 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.432 -9.590 86.123 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.691 -8.280 85.172 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.118 -7.797 83.341 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.242 -6.473 84.145 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.000 -6.640 84.366 1.00 0.00 H new ATOM 1130 N LEU A 73 17.491 -4.290 86.675 1.00 0.00 N ATOM 1131 CA LEU A 73 17.581 -2.886 87.147 1.00 0.00 C ATOM 1132 C LEU A 73 16.235 -2.489 87.760 1.00 0.00 C ATOM 1133 O LEU A 73 16.153 -1.595 88.576 1.00 0.00 O ATOM 1134 CB LEU A 73 17.934 -1.954 85.985 1.00 0.00 C ATOM 1135 CG LEU A 73 19.292 -2.367 85.390 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.105 -3.473 84.335 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.964 -1.137 84.759 1.00 0.00 C ATOM 0 H LEU A 73 17.480 -4.415 85.663 1.00 0.00 H new ATOM 0 HA LEU A 73 18.367 -2.799 87.897 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.160 -2.001 85.219 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.976 -0.922 86.333 1.00 0.00 H new ATOM 0 HG LEU A 73 19.927 -2.759 86.184 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.075 -3.753 83.925 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.643 -4.344 84.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.464 -3.106 83.533 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.926 -1.425 84.336 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.326 -0.738 83.970 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.117 -0.374 85.522 1.00 0.00 H new ATOM 1149 N SER A 74 15.174 -3.155 87.381 1.00 0.00 N ATOM 1150 CA SER A 74 13.846 -2.814 87.962 1.00 0.00 C ATOM 1151 C SER A 74 13.911 -2.942 89.484 1.00 0.00 C ATOM 1152 O SER A 74 13.476 -2.073 90.218 1.00 0.00 O ATOM 1153 CB SER A 74 12.782 -3.764 87.409 1.00 0.00 C ATOM 1154 OG SER A 74 11.502 -3.360 87.877 1.00 0.00 O ATOM 0 H SER A 74 15.172 -3.914 86.700 1.00 0.00 H new ATOM 0 HA SER A 74 13.584 -1.790 87.695 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.802 -3.756 86.319 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.991 -4.786 87.725 1.00 0.00 H new ATOM 0 HG SER A 74 10.807 -3.862 87.402 1.00 0.00 H new ATOM 1160 N ALA A 75 14.455 -4.024 89.963 1.00 0.00 N ATOM 1161 CA ALA A 75 14.555 -4.217 91.440 1.00 0.00 C ATOM 1162 C ALA A 75 15.592 -3.252 92.012 1.00 0.00 C ATOM 1163 O ALA A 75 15.453 -2.752 93.111 1.00 0.00 O ATOM 1164 CB ALA A 75 14.983 -5.652 91.738 1.00 0.00 C ATOM 0 H ALA A 75 14.835 -4.784 89.399 1.00 0.00 H new ATOM 0 HA ALA A 75 13.585 -4.022 91.897 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.056 -5.793 92.816 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.246 -6.344 91.331 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.953 -5.845 91.280 1.00 0.00 H new ATOM 1170 N VAL A 76 16.635 -2.994 91.277 1.00 0.00 N ATOM 1171 CA VAL A 76 17.693 -2.069 91.771 1.00 0.00 C ATOM 1172 C VAL A 76 17.039 -0.841 92.417 1.00 0.00 C ATOM 1173 O VAL A 76 17.142 -0.637 93.610 1.00 0.00 O ATOM 1174 CB VAL A 76 18.586 -1.666 90.588 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.493 -0.486 90.948 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.467 -2.858 90.208 1.00 0.00 C ATOM 0 H VAL A 76 16.802 -3.386 90.350 1.00 0.00 H new ATOM 0 HA VAL A 76 18.308 -2.559 92.526 1.00 0.00 H new ATOM 0 HB VAL A 76 17.943 -1.369 89.759 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.111 -0.227 90.089 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.881 0.372 91.226 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.133 -0.762 91.786 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.106 -2.585 89.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.087 -3.139 91.060 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.836 -3.701 89.925 1.00 0.00 H new ATOM 1186 N TYR A 77 16.360 -0.023 91.653 1.00 0.00 N ATOM 1187 CA TYR A 77 15.706 1.176 92.261 1.00 0.00 C ATOM 1188 C TYR A 77 14.455 0.738 93.026 1.00 0.00 C ATOM 1189 O TYR A 77 13.403 1.331 92.901 1.00 0.00 O ATOM 1190 CB TYR A 77 15.303 2.183 91.172 1.00 0.00 C ATOM 1191 CG TYR A 77 16.152 1.976 89.947 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.363 2.662 89.808 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.725 1.097 88.948 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.146 2.466 88.668 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.509 0.901 87.808 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.720 1.585 87.668 1.00 0.00 C ATOM 1197 OH TYR A 77 18.495 1.389 86.545 1.00 0.00 O ATOM 0 H TYR A 77 16.231 -0.131 90.647 1.00 0.00 H new ATOM 0 HA TYR A 77 16.414 1.653 92.939 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.250 2.059 90.921 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.425 3.201 91.542 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.692 3.342 90.580 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.789 0.569 89.057 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.081 2.995 88.558 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.180 0.222 87.036 1.00 0.00 H new ATOM 0 HH TYR A 77 17.918 1.331 85.755 1.00 0.00 H new ATOM 1207 N GLU A 78 14.554 -0.298 93.814 1.00 0.00 N ATOM 1208 CA GLU A 78 13.359 -0.770 94.576 1.00 0.00 C ATOM 1209 C GLU A 78 13.710 -0.969 96.051 1.00 0.00 C ATOM 1210 O GLU A 78 12.864 -0.863 96.919 1.00 0.00 O ATOM 1211 CB GLU A 78 12.893 -2.104 93.990 1.00 0.00 C ATOM 1212 CG GLU A 78 11.439 -2.352 94.378 1.00 0.00 C ATOM 1213 CD GLU A 78 10.531 -1.461 93.531 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.888 -1.194 92.395 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.493 -1.063 94.031 1.00 0.00 O ATOM 0 H GLU A 78 15.407 -0.837 93.964 1.00 0.00 H new ATOM 0 HA GLU A 78 12.569 -0.023 94.498 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.993 -2.091 92.905 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.522 -2.914 94.359 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.184 -3.401 94.225 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.292 -2.139 95.437 1.00 0.00 H new ATOM 1222 N GLY A 79 14.937 -1.282 96.345 1.00 0.00 N ATOM 1223 CA GLY A 79 15.321 -1.518 97.764 1.00 0.00 C ATOM 1224 C GLY A 79 15.144 -3.003 98.046 1.00 0.00 C ATOM 1225 O GLY A 79 15.477 -3.498 99.106 1.00 0.00 O ATOM 0 H GLY A 79 15.692 -1.385 95.666 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.354 -1.216 97.937 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.699 -0.924 98.433 1.00 0.00 H new ATOM 1229 N HIS A 80 14.635 -3.722 97.085 1.00 0.00 N ATOM 1230 CA HIS A 80 14.449 -5.181 97.265 1.00 0.00 C ATOM 1231 C HIS A 80 15.796 -5.853 97.012 1.00 0.00 C ATOM 1232 O HIS A 80 16.358 -6.482 97.885 1.00 0.00 O ATOM 1233 CB HIS A 80 13.424 -5.691 96.245 1.00 0.00 C ATOM 1234 CG HIS A 80 12.033 -5.574 96.807 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.192 -6.668 96.909 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.315 -4.504 97.285 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.028 -6.243 97.427 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.047 -4.930 97.677 1.00 0.00 N ATOM 0 H HIS A 80 14.340 -3.356 96.180 1.00 0.00 H new ATOM 0 HA HIS A 80 14.091 -5.404 98.270 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.501 -5.116 95.322 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.636 -6.730 95.993 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.678 -3.489 97.347 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.180 -6.884 97.618 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.296 -4.362 98.070 1.00 0.00 H new ATOM 1246 N VAL A 81 16.312 -5.705 95.816 1.00 0.00 N ATOM 1247 CA VAL A 81 17.632 -6.311 95.459 1.00 0.00 C ATOM 1248 C VAL A 81 17.799 -7.690 96.101 1.00 0.00 C ATOM 1249 O VAL A 81 18.857 -8.287 96.050 1.00 0.00 O ATOM 1250 CB VAL A 81 18.774 -5.355 95.850 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.994 -4.327 94.731 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.407 -4.587 97.122 1.00 0.00 C ATOM 0 H VAL A 81 15.867 -5.182 95.062 1.00 0.00 H new ATOM 0 HA VAL A 81 17.670 -6.459 94.380 1.00 0.00 H new ATOM 0 HB VAL A 81 19.675 -5.947 96.013 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.803 -3.652 95.011 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.256 -4.844 93.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.079 -3.754 94.579 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.222 -3.914 97.389 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.500 -4.008 96.948 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.237 -5.292 97.936 1.00 0.00 H new ATOM 1262 N SER A 82 16.751 -8.240 96.633 1.00 0.00 N ATOM 1263 CA SER A 82 16.844 -9.611 97.179 1.00 0.00 C ATOM 1264 C SER A 82 16.709 -10.526 95.967 1.00 0.00 C ATOM 1265 O SER A 82 17.117 -11.670 95.965 1.00 0.00 O ATOM 1266 CB SER A 82 15.708 -9.860 98.173 1.00 0.00 C ATOM 1267 OG SER A 82 16.170 -9.598 99.491 1.00 0.00 O ATOM 0 H SER A 82 15.835 -7.799 96.713 1.00 0.00 H new ATOM 0 HA SER A 82 17.777 -9.782 97.716 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.858 -9.219 97.939 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.361 -10.890 98.095 1.00 0.00 H new ATOM 0 HG SER A 82 15.443 -9.755 100.130 1.00 0.00 H new ATOM 1273 N CYS A 83 16.140 -9.982 94.920 1.00 0.00 N ATOM 1274 CA CYS A 83 15.957 -10.741 93.656 1.00 0.00 C ATOM 1275 C CYS A 83 17.255 -10.673 92.850 1.00 0.00 C ATOM 1276 O CYS A 83 17.803 -11.682 92.459 1.00 0.00 O ATOM 1277 CB CYS A 83 14.818 -10.105 92.851 1.00 0.00 C ATOM 1278 SG CYS A 83 14.649 -8.358 93.310 1.00 0.00 S ATOM 0 H CYS A 83 15.790 -9.024 94.893 1.00 0.00 H new ATOM 0 HA CYS A 83 15.712 -11.781 93.872 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.021 -10.193 91.784 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.884 -10.634 93.043 1.00 0.00 H new ATOM 0 HG CYS A 83 13.560 -7.876 92.789 1.00 0.00 H new ATOM 1284 N VAL A 84 17.760 -9.488 92.607 1.00 0.00 N ATOM 1285 CA VAL A 84 19.035 -9.367 91.838 1.00 0.00 C ATOM 1286 C VAL A 84 19.976 -10.477 92.292 1.00 0.00 C ATOM 1287 O VAL A 84 20.642 -11.117 91.504 1.00 0.00 O ATOM 1288 CB VAL A 84 19.699 -8.021 92.132 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.820 -6.880 91.607 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.893 -7.880 93.643 1.00 0.00 C ATOM 0 H VAL A 84 17.346 -8.605 92.906 1.00 0.00 H new ATOM 0 HA VAL A 84 18.825 -9.442 90.771 1.00 0.00 H new ATOM 0 HB VAL A 84 20.667 -7.973 91.634 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.299 -5.924 91.820 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.688 -6.988 90.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.847 -6.915 92.097 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.366 -6.923 93.861 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.924 -7.928 94.140 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.527 -8.689 94.005 1.00 0.00 H new ATOM 1300 N LYS A 85 20.022 -10.698 93.573 1.00 0.00 N ATOM 1301 CA LYS A 85 20.901 -11.748 94.137 1.00 0.00 C ATOM 1302 C LYS A 85 20.696 -13.079 93.396 1.00 0.00 C ATOM 1303 O LYS A 85 21.491 -13.468 92.559 1.00 0.00 O ATOM 1304 CB LYS A 85 20.550 -11.905 95.624 1.00 0.00 C ATOM 1305 CG LYS A 85 21.182 -10.766 96.444 1.00 0.00 C ATOM 1306 CD LYS A 85 21.648 -11.298 97.808 1.00 0.00 C ATOM 1307 CE LYS A 85 23.042 -11.920 97.672 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.226 -12.966 98.719 1.00 0.00 N ATOM 0 H LYS A 85 19.476 -10.184 94.264 1.00 0.00 H new ATOM 0 HA LYS A 85 21.947 -11.464 94.022 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.468 -11.898 95.752 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.908 -12.868 95.990 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.027 -10.342 95.902 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.458 -9.963 96.585 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.671 -10.488 98.537 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.942 -12.041 98.179 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.161 -12.358 96.681 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.807 -11.150 97.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.172 -13.388 98.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.130 -12.535 99.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.504 -13.706 98.601 1.00 0.00 H new ATOM 1322 N LEU A 86 19.646 -13.790 93.694 1.00 0.00 N ATOM 1323 CA LEU A 86 19.421 -15.094 93.003 1.00 0.00 C ATOM 1324 C LEU A 86 19.224 -14.879 91.498 1.00 0.00 C ATOM 1325 O LEU A 86 19.082 -15.817 90.745 1.00 0.00 O ATOM 1326 CB LEU A 86 18.233 -15.828 93.660 1.00 0.00 C ATOM 1327 CG LEU A 86 16.898 -15.600 92.935 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.669 -14.106 92.689 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.843 -16.396 91.615 1.00 0.00 C ATOM 0 H LEU A 86 18.938 -13.530 94.380 1.00 0.00 H new ATOM 0 HA LEU A 86 20.301 -15.728 93.113 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.446 -16.897 93.686 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.138 -15.496 94.694 1.00 0.00 H new ATOM 0 HG LEU A 86 16.095 -15.965 93.575 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.719 -13.963 92.175 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.648 -13.579 93.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.477 -13.710 92.074 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.888 -16.217 91.122 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.654 -16.074 90.962 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.948 -17.460 91.827 1.00 0.00 H new ATOM 1341 N LEU A 87 19.224 -13.654 91.043 1.00 0.00 N ATOM 1342 CA LEU A 87 19.020 -13.415 89.583 1.00 0.00 C ATOM 1343 C LEU A 87 20.275 -13.776 88.786 1.00 0.00 C ATOM 1344 O LEU A 87 20.292 -14.768 88.084 1.00 0.00 O ATOM 1345 CB LEU A 87 18.674 -11.942 89.345 1.00 0.00 C ATOM 1346 CG LEU A 87 17.353 -11.831 88.574 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.910 -10.369 88.539 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.542 -12.338 87.141 1.00 0.00 C ATOM 0 H LEU A 87 19.355 -12.817 91.611 1.00 0.00 H new ATOM 0 HA LEU A 87 18.200 -14.049 89.245 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.593 -11.420 90.299 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.474 -11.458 88.784 1.00 0.00 H new ATOM 0 HG LEU A 87 16.594 -12.435 89.072 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.971 -10.286 87.992 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.769 -10.007 89.557 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.673 -9.769 88.043 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.600 -12.256 86.599 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.302 -11.738 86.640 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.859 -13.381 87.163 1.00 0.00 H new ATOM 1360 N LEU A 88 21.319 -12.989 88.851 1.00 0.00 N ATOM 1361 CA LEU A 88 22.522 -13.340 88.049 1.00 0.00 C ATOM 1362 C LEU A 88 22.881 -14.801 88.289 1.00 0.00 C ATOM 1363 O LEU A 88 23.678 -15.381 87.578 1.00 0.00 O ATOM 1364 CB LEU A 88 23.708 -12.420 88.371 1.00 0.00 C ATOM 1365 CG LEU A 88 24.309 -12.695 89.760 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.199 -12.758 90.802 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.111 -14.009 89.767 1.00 0.00 C ATOM 0 H LEU A 88 21.388 -12.139 89.411 1.00 0.00 H new ATOM 0 HA LEU A 88 22.290 -13.196 86.994 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.480 -12.550 87.613 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.382 -11.381 88.319 1.00 0.00 H new ATOM 0 HG LEU A 88 24.990 -11.880 90.004 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.632 -12.953 91.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.665 -11.808 90.823 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.505 -13.558 90.546 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.524 -14.178 90.761 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.454 -14.837 89.501 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.923 -13.943 89.043 1.00 0.00 H new ATOM 1379 N SER A 89 22.274 -15.414 89.263 1.00 0.00 N ATOM 1380 CA SER A 89 22.565 -16.850 89.507 1.00 0.00 C ATOM 1381 C SER A 89 22.335 -17.597 88.191 1.00 0.00 C ATOM 1382 O SER A 89 22.868 -18.666 87.966 1.00 0.00 O ATOM 1383 CB SER A 89 21.630 -17.401 90.588 1.00 0.00 C ATOM 1384 OG SER A 89 22.187 -18.596 91.121 1.00 0.00 O ATOM 0 H SER A 89 21.596 -14.988 89.895 1.00 0.00 H new ATOM 0 HA SER A 89 23.592 -16.978 89.849 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.495 -16.664 91.379 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.645 -17.601 90.167 1.00 0.00 H new ATOM 0 HG SER A 89 21.594 -18.953 91.815 1.00 0.00 H new ATOM 1390 N LYS A 90 21.552 -17.022 87.310 1.00 0.00 N ATOM 1391 CA LYS A 90 21.287 -17.666 85.993 1.00 0.00 C ATOM 1392 C LYS A 90 22.088 -16.940 84.910 1.00 0.00 C ATOM 1393 O LYS A 90 22.314 -17.460 83.835 1.00 0.00 O ATOM 1394 CB LYS A 90 19.796 -17.551 85.671 1.00 0.00 C ATOM 1395 CG LYS A 90 18.978 -18.397 86.658 1.00 0.00 C ATOM 1396 CD LYS A 90 18.321 -17.498 87.712 1.00 0.00 C ATOM 1397 CE LYS A 90 17.037 -16.885 87.141 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.338 -16.119 88.211 1.00 0.00 N ATOM 0 H LYS A 90 21.083 -16.127 87.452 1.00 0.00 H new ATOM 0 HA LYS A 90 21.579 -18.715 86.030 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.483 -16.508 85.727 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.609 -17.886 84.651 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.213 -18.957 86.120 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.625 -19.127 87.145 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.092 -18.077 88.606 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.010 -16.709 88.011 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.275 -16.228 86.304 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.386 -17.670 86.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.331 -16.380 88.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.765 -16.341 89.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.429 -15.100 88.024 1.00 0.00 H new ATOM 1412 N GLY A 91 22.515 -15.740 85.190 1.00 0.00 N ATOM 1413 CA GLY A 91 23.298 -14.960 84.190 1.00 0.00 C ATOM 1414 C GLY A 91 22.784 -13.520 84.150 1.00 0.00 C ATOM 1415 O GLY A 91 23.266 -12.655 84.855 1.00 0.00 O ATOM 0 H GLY A 91 22.354 -15.262 86.077 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.356 -14.972 84.451 1.00 0.00 H new ATOM 0 HA3 GLY A 91 23.207 -15.417 83.205 1.00 0.00 H new ATOM 1419 N ALA A 92 21.804 -13.257 83.331 1.00 0.00 N ATOM 1420 CA ALA A 92 21.248 -11.876 83.240 1.00 0.00 C ATOM 1421 C ALA A 92 22.369 -10.856 83.055 1.00 0.00 C ATOM 1422 O ALA A 92 22.129 -9.667 83.075 1.00 0.00 O ATOM 1423 CB ALA A 92 20.497 -11.546 84.533 1.00 0.00 C ATOM 0 H ALA A 92 21.362 -13.942 82.718 1.00 0.00 H new ATOM 0 HA ALA A 92 20.575 -11.830 82.384 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.089 -10.537 84.470 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.684 -12.258 84.673 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.183 -11.608 85.378 1.00 0.00 H new ATOM 1429 N ASP A 93 23.588 -11.293 82.886 1.00 0.00 N ATOM 1430 CA ASP A 93 24.697 -10.311 82.719 1.00 0.00 C ATOM 1431 C ASP A 93 24.434 -9.125 83.643 1.00 0.00 C ATOM 1432 O ASP A 93 24.131 -9.294 84.809 1.00 0.00 O ATOM 1433 CB ASP A 93 24.734 -9.834 81.265 1.00 0.00 C ATOM 1434 CG ASP A 93 26.100 -9.220 80.954 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.307 -8.073 81.314 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.915 -9.907 80.361 1.00 0.00 O ATOM 0 H ASP A 93 23.862 -12.275 82.857 1.00 0.00 H new ATOM 0 HA ASP A 93 25.653 -10.772 82.968 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.540 -10.670 80.594 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.948 -9.099 81.094 1.00 0.00 H new ATOM 1441 N LYS A 94 24.522 -7.932 83.142 1.00 0.00 N ATOM 1442 CA LYS A 94 24.247 -6.761 84.012 1.00 0.00 C ATOM 1443 C LYS A 94 23.980 -5.525 83.148 1.00 0.00 C ATOM 1444 O LYS A 94 23.276 -4.620 83.545 1.00 0.00 O ATOM 1445 CB LYS A 94 25.439 -6.520 84.936 1.00 0.00 C ATOM 1446 CG LYS A 94 25.173 -5.288 85.807 1.00 0.00 C ATOM 1447 CD LYS A 94 23.945 -5.521 86.716 1.00 0.00 C ATOM 1448 CE LYS A 94 22.703 -4.798 86.165 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.754 -4.525 87.285 1.00 0.00 N ATOM 0 H LYS A 94 24.770 -7.716 82.177 1.00 0.00 H new ATOM 0 HA LYS A 94 23.364 -6.957 84.620 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.606 -7.394 85.566 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.345 -6.373 84.347 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.049 -5.072 86.418 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.004 -4.417 85.173 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.743 -6.589 86.793 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.161 -5.164 87.723 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.995 -3.864 85.685 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.219 -5.410 85.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.777 -4.593 86.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.901 -5.223 88.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.923 -3.569 87.658 1.00 0.00 H new ATOM 1463 N THR A 95 24.532 -5.483 81.967 1.00 0.00 N ATOM 1464 CA THR A 95 24.308 -4.315 81.069 1.00 0.00 C ATOM 1465 C THR A 95 24.005 -4.835 79.666 1.00 0.00 C ATOM 1466 O THR A 95 24.563 -4.383 78.686 1.00 0.00 O ATOM 1467 CB THR A 95 25.564 -3.446 81.033 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.703 -4.272 80.840 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.696 -2.693 82.356 1.00 0.00 C ATOM 0 H THR A 95 25.133 -6.212 81.583 1.00 0.00 H new ATOM 0 HA THR A 95 23.474 -3.716 81.435 1.00 0.00 H new ATOM 0 HB THR A 95 25.492 -2.731 80.214 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.510 -3.716 80.815 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.591 -2.072 82.333 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.820 -2.061 82.504 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.771 -3.408 83.176 1.00 0.00 H new ATOM 1477 N VAL A 96 23.127 -5.795 79.570 1.00 0.00 N ATOM 1478 CA VAL A 96 22.781 -6.367 78.244 1.00 0.00 C ATOM 1479 C VAL A 96 21.750 -5.470 77.549 1.00 0.00 C ATOM 1480 O VAL A 96 21.442 -5.660 76.394 1.00 0.00 O ATOM 1481 CB VAL A 96 22.211 -7.786 78.448 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.230 -8.144 77.325 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.359 -8.805 78.456 1.00 0.00 C ATOM 0 H VAL A 96 22.632 -6.209 80.360 1.00 0.00 H new ATOM 0 HA VAL A 96 23.670 -6.422 77.616 1.00 0.00 H new ATOM 0 HB VAL A 96 21.682 -7.811 79.400 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.840 -9.149 77.489 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.405 -7.431 77.321 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.746 -8.107 76.366 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.955 -9.807 78.600 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.891 -8.761 77.506 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.048 -8.571 79.268 1.00 0.00 H new ATOM 1493 N LYS A 97 21.219 -4.487 78.232 1.00 0.00 N ATOM 1494 CA LYS A 97 20.215 -3.603 77.571 1.00 0.00 C ATOM 1495 C LYS A 97 20.115 -2.243 78.285 1.00 0.00 C ATOM 1496 O LYS A 97 19.416 -1.361 77.830 1.00 0.00 O ATOM 1497 CB LYS A 97 18.841 -4.291 77.593 1.00 0.00 C ATOM 1498 CG LYS A 97 18.495 -4.839 76.201 1.00 0.00 C ATOM 1499 CD LYS A 97 18.011 -3.699 75.299 1.00 0.00 C ATOM 1500 CE LYS A 97 18.110 -4.130 73.833 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.816 -2.965 72.954 1.00 0.00 N ATOM 0 H LYS A 97 21.434 -4.262 79.203 1.00 0.00 H new ATOM 0 HA LYS A 97 20.534 -3.428 76.544 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.845 -5.103 78.320 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.077 -3.582 77.912 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.370 -5.317 75.761 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.722 -5.603 76.283 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.981 -3.440 75.544 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.613 -2.806 75.468 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.107 -4.516 73.623 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.407 -4.938 73.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.883 -3.256 71.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.856 -2.616 73.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.504 -2.207 73.140 1.00 0.00 H new ATOM 1515 N GLY A 98 20.797 -2.046 79.384 1.00 0.00 N ATOM 1516 CA GLY A 98 20.704 -0.728 80.068 1.00 0.00 C ATOM 1517 C GLY A 98 21.514 0.289 79.269 1.00 0.00 C ATOM 1518 O GLY A 98 22.218 -0.076 78.348 1.00 0.00 O ATOM 0 H GLY A 98 21.406 -2.732 79.830 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.664 -0.411 80.140 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.086 -0.801 81.086 1.00 0.00 H new ATOM 1522 N PRO A 99 21.417 1.532 79.657 1.00 0.00 N ATOM 1523 CA PRO A 99 22.165 2.611 78.996 1.00 0.00 C ATOM 1524 C PRO A 99 23.599 2.153 78.774 1.00 0.00 C ATOM 1525 O PRO A 99 24.021 1.881 77.668 1.00 0.00 O ATOM 1526 CB PRO A 99 22.093 3.776 79.997 1.00 0.00 C ATOM 1527 CG PRO A 99 20.960 3.438 80.999 1.00 0.00 C ATOM 1528 CD PRO A 99 20.571 1.966 80.781 1.00 0.00 C ATOM 0 HA PRO A 99 21.770 2.894 78.020 1.00 0.00 H new ATOM 0 HB2 PRO A 99 23.044 3.899 80.516 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.887 4.715 79.483 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.295 3.598 82.024 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.101 4.089 80.839 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.757 1.368 81.673 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.512 1.865 80.545 1.00 0.00 H new ATOM 1536 N ASP A 100 24.335 2.051 79.830 1.00 0.00 N ATOM 1537 CA ASP A 100 25.736 1.595 79.725 1.00 0.00 C ATOM 1538 C ASP A 100 26.195 1.165 81.111 1.00 0.00 C ATOM 1539 O ASP A 100 25.596 0.314 81.743 1.00 0.00 O ATOM 1540 CB ASP A 100 26.608 2.744 79.216 1.00 0.00 C ATOM 1541 CG ASP A 100 27.998 2.216 78.855 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.113 1.027 78.605 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.923 3.010 78.835 1.00 0.00 O ATOM 0 H ASP A 100 24.022 2.267 80.776 1.00 0.00 H new ATOM 0 HA ASP A 100 25.818 0.761 79.028 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.146 3.205 78.343 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.689 3.517 79.980 1.00 0.00 H new ATOM 1548 N GLY A 101 27.238 1.755 81.600 1.00 0.00 N ATOM 1549 CA GLY A 101 27.717 1.383 82.949 1.00 0.00 C ATOM 1550 C GLY A 101 26.655 1.774 83.979 1.00 0.00 C ATOM 1551 O GLY A 101 26.847 1.625 85.177 1.00 0.00 O ATOM 0 H GLY A 101 27.780 2.478 81.126 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.912 0.312 82.997 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.658 1.888 83.167 1.00 0.00 H new ATOM 1555 N LEU A 102 25.525 2.270 83.541 1.00 0.00 N ATOM 1556 CA LEU A 102 24.503 2.657 84.541 1.00 0.00 C ATOM 1557 C LEU A 102 24.262 1.490 85.463 1.00 0.00 C ATOM 1558 O LEU A 102 24.554 1.554 86.642 1.00 0.00 O ATOM 1559 CB LEU A 102 23.173 3.067 83.895 1.00 0.00 C ATOM 1560 CG LEU A 102 22.210 3.538 85.007 1.00 0.00 C ATOM 1561 CD1 LEU A 102 21.050 4.347 84.414 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.643 2.340 85.790 1.00 0.00 C ATOM 0 H LEU A 102 25.276 2.418 82.563 1.00 0.00 H new ATOM 0 HA LEU A 102 24.882 3.522 85.086 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.334 3.866 83.171 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.741 2.226 83.352 1.00 0.00 H new ATOM 0 HG LEU A 102 22.780 4.170 85.687 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.384 4.669 85.215 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.444 5.222 83.896 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.497 3.727 83.709 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.968 2.700 86.567 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.098 1.686 85.110 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.461 1.785 86.249 1.00 0.00 H new ATOM 1574 N THR A 103 23.716 0.427 84.945 1.00 0.00 N ATOM 1575 CA THR A 103 23.434 -0.744 85.807 1.00 0.00 C ATOM 1576 C THR A 103 23.360 -0.282 87.258 1.00 0.00 C ATOM 1577 O THR A 103 22.393 0.320 87.688 1.00 0.00 O ATOM 1578 CB THR A 103 24.555 -1.772 85.637 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.598 -2.627 86.771 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.891 -1.048 85.481 1.00 0.00 C ATOM 0 H THR A 103 23.455 0.322 83.965 1.00 0.00 H new ATOM 0 HA THR A 103 22.485 -1.202 85.526 1.00 0.00 H new ATOM 0 HB THR A 103 24.365 -2.372 84.747 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.531 -2.807 87.010 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.690 -1.780 85.360 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.855 -0.402 84.604 1.00 0.00 H new ATOM 0 HG23 THR A 103 26.084 -0.444 86.368 1.00 0.00 H new ATOM 1588 N ALA A 104 24.371 -0.547 88.014 1.00 0.00 N ATOM 1589 CA ALA A 104 24.356 -0.130 89.441 1.00 0.00 C ATOM 1590 C ALA A 104 25.103 1.202 89.635 1.00 0.00 C ATOM 1591 O ALA A 104 24.896 1.903 90.611 1.00 0.00 O ATOM 1592 CB ALA A 104 25.030 -1.229 90.258 1.00 0.00 C ATOM 0 H ALA A 104 25.214 -1.036 87.712 1.00 0.00 H new ATOM 0 HA ALA A 104 23.327 0.019 89.769 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.033 -0.949 91.311 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.483 -2.163 90.132 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.056 -1.360 89.914 1.00 0.00 H new ATOM 1598 N LEU A 105 25.996 1.533 88.740 1.00 0.00 N ATOM 1599 CA LEU A 105 26.796 2.778 88.893 1.00 0.00 C ATOM 1600 C LEU A 105 25.915 4.029 88.953 1.00 0.00 C ATOM 1601 O LEU A 105 25.804 4.666 89.980 1.00 0.00 O ATOM 1602 CB LEU A 105 27.742 2.907 87.704 1.00 0.00 C ATOM 1603 CG LEU A 105 28.487 1.584 87.476 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.564 1.780 86.402 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.154 1.136 88.781 1.00 0.00 C ATOM 0 H LEU A 105 26.205 0.988 87.904 1.00 0.00 H new ATOM 0 HA LEU A 105 27.345 2.706 89.832 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.180 3.175 86.810 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.457 3.710 87.884 1.00 0.00 H new ATOM 0 HG LEU A 105 27.776 0.825 87.150 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.092 0.840 86.241 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.095 2.097 85.470 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.271 2.542 86.730 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.682 0.197 88.616 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.862 1.898 89.108 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.393 0.995 89.549 1.00 0.00 H new ATOM 1617 N GLU A 106 25.329 4.415 87.850 1.00 0.00 N ATOM 1618 CA GLU A 106 24.506 5.661 87.840 1.00 0.00 C ATOM 1619 C GLU A 106 23.143 5.387 88.479 1.00 0.00 C ATOM 1620 O GLU A 106 22.292 6.251 88.533 1.00 0.00 O ATOM 1621 CB GLU A 106 24.357 6.149 86.372 1.00 0.00 C ATOM 1622 CG GLU A 106 22.940 6.673 86.058 1.00 0.00 C ATOM 1623 CD GLU A 106 22.760 8.073 86.645 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.760 8.723 86.901 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.622 8.477 86.820 1.00 0.00 O ATOM 0 H GLU A 106 25.384 3.923 86.958 1.00 0.00 H new ATOM 0 HA GLU A 106 24.993 6.443 88.422 1.00 0.00 H new ATOM 0 HB2 GLU A 106 25.083 6.940 86.181 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.594 5.328 85.695 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.783 6.699 84.980 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.193 5.997 86.473 1.00 0.00 H new ATOM 1632 N ALA A 107 22.920 4.198 88.965 1.00 0.00 N ATOM 1633 CA ALA A 107 21.596 3.906 89.584 1.00 0.00 C ATOM 1634 C ALA A 107 21.477 4.467 91.012 1.00 0.00 C ATOM 1635 O ALA A 107 20.503 5.116 91.337 1.00 0.00 O ATOM 1636 CB ALA A 107 21.383 2.398 89.631 1.00 0.00 C ATOM 0 H ALA A 107 23.586 3.425 88.962 1.00 0.00 H new ATOM 0 HA ALA A 107 20.837 4.391 88.970 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.415 2.181 90.083 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.409 1.995 88.618 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.172 1.937 90.225 1.00 0.00 H new ATOM 1642 N THR A 108 22.408 4.195 91.889 1.00 0.00 N ATOM 1643 CA THR A 108 22.245 4.698 93.284 1.00 0.00 C ATOM 1644 C THR A 108 23.581 4.834 94.010 1.00 0.00 C ATOM 1645 O THR A 108 24.624 5.039 93.423 1.00 0.00 O ATOM 1646 CB THR A 108 21.411 3.678 94.053 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.183 4.147 95.376 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.179 2.356 94.103 1.00 0.00 C ATOM 0 H THR A 108 23.256 3.659 91.706 1.00 0.00 H new ATOM 0 HA THR A 108 21.776 5.681 93.236 1.00 0.00 H new ATOM 0 HB THR A 108 20.451 3.533 93.557 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.068 5.120 95.363 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.595 1.616 94.650 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.357 2.000 93.088 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.134 2.509 94.606 1.00 0.00 H new ATOM 1656 N ASP A 109 23.522 4.692 95.311 1.00 0.00 N ATOM 1657 CA ASP A 109 24.734 4.774 96.160 1.00 0.00 C ATOM 1658 C ASP A 109 24.610 3.759 97.303 1.00 0.00 C ATOM 1659 O ASP A 109 25.525 3.584 98.082 1.00 0.00 O ATOM 1660 CB ASP A 109 24.871 6.183 96.745 1.00 0.00 C ATOM 1661 CG ASP A 109 26.239 6.320 97.419 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.235 6.177 96.729 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.268 6.562 98.615 1.00 0.00 O ATOM 0 H ASP A 109 22.659 4.518 95.826 1.00 0.00 H new ATOM 0 HA ASP A 109 25.615 4.553 95.557 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.765 6.928 95.957 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.076 6.368 97.468 1.00 0.00 H new ATOM 1668 N ASN A 110 23.496 3.067 97.407 1.00 0.00 N ATOM 1669 CA ASN A 110 23.368 2.060 98.503 1.00 0.00 C ATOM 1670 C ASN A 110 24.220 0.854 98.111 1.00 0.00 C ATOM 1671 O ASN A 110 24.291 0.482 96.959 1.00 0.00 O ATOM 1672 CB ASN A 110 21.899 1.663 98.722 1.00 0.00 C ATOM 1673 CG ASN A 110 21.221 1.384 97.390 1.00 0.00 C ATOM 1674 OD1 ASN A 110 21.926 0.911 96.417 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.036 1.603 97.236 1.00 0.00 N flip ATOM 0 H ASN A 110 22.687 3.156 96.792 1.00 0.00 H new ATOM 0 HA ASN A 110 23.716 2.476 99.448 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.845 0.779 99.357 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.374 2.463 99.244 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.482 1.977 98.007 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.595 1.413 96.336 1.00 0.00 H new ATOM 1682 N GLN A 111 24.928 0.297 99.052 1.00 0.00 N ATOM 1683 CA GLN A 111 25.865 -0.828 98.748 1.00 0.00 C ATOM 1684 C GLN A 111 25.155 -2.146 98.389 1.00 0.00 C ATOM 1685 O GLN A 111 25.804 -3.140 98.135 1.00 0.00 O ATOM 1686 CB GLN A 111 26.772 -1.031 99.965 1.00 0.00 C ATOM 1687 CG GLN A 111 27.668 -2.251 99.762 1.00 0.00 C ATOM 1688 CD GLN A 111 28.912 -2.117 100.646 1.00 0.00 C ATOM 1689 OE1 GLN A 111 28.839 -1.591 101.740 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.058 -2.566 100.216 1.00 0.00 N ATOM 0 H GLN A 111 24.899 0.575 100.033 1.00 0.00 H new ATOM 0 HA GLN A 111 26.439 -0.554 97.862 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.385 -0.143 100.122 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.165 -1.162 100.861 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.125 -3.162 100.014 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.959 -2.333 98.715 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.121 -3.007 99.299 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.892 -2.476 100.797 1.00 0.00 H new ATOM 1699 N ALA A 112 23.854 -2.187 98.334 1.00 0.00 N ATOM 1700 CA ALA A 112 23.191 -3.474 97.963 1.00 0.00 C ATOM 1701 C ALA A 112 23.143 -3.569 96.441 1.00 0.00 C ATOM 1702 O ALA A 112 23.431 -4.590 95.837 1.00 0.00 O ATOM 1703 CB ALA A 112 21.769 -3.510 98.523 1.00 0.00 C ATOM 0 H ALA A 112 23.229 -1.404 98.525 1.00 0.00 H new ATOM 0 HA ALA A 112 23.751 -4.312 98.377 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.293 -4.451 98.248 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.803 -3.425 99.609 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.195 -2.680 98.112 1.00 0.00 H new ATOM 1709 N ILE A 113 22.818 -2.485 95.830 1.00 0.00 N ATOM 1710 CA ILE A 113 22.765 -2.426 94.351 1.00 0.00 C ATOM 1711 C ILE A 113 24.187 -2.544 93.836 1.00 0.00 C ATOM 1712 O ILE A 113 24.509 -3.366 92.995 1.00 0.00 O ATOM 1713 CB ILE A 113 22.213 -1.052 93.965 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.684 -1.076 93.934 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.749 -0.622 92.595 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.111 -1.006 95.358 1.00 0.00 C ATOM 0 H ILE A 113 22.580 -1.611 96.299 1.00 0.00 H new ATOM 0 HA ILE A 113 22.142 -3.219 93.937 1.00 0.00 H new ATOM 0 HB ILE A 113 22.541 -0.334 94.716 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.314 -0.236 93.346 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.339 -1.986 93.442 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.346 0.357 92.337 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.837 -0.568 92.631 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.446 -1.349 91.841 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.022 -1.024 95.313 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.465 -1.860 95.935 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.439 -0.084 95.837 1.00 0.00 H new ATOM 1728 N LYS A 114 25.040 -1.718 94.350 1.00 0.00 N ATOM 1729 CA LYS A 114 26.447 -1.751 93.922 1.00 0.00 C ATOM 1730 C LYS A 114 26.967 -3.171 94.111 1.00 0.00 C ATOM 1731 O LYS A 114 28.009 -3.541 93.606 1.00 0.00 O ATOM 1732 CB LYS A 114 27.252 -0.754 94.762 1.00 0.00 C ATOM 1733 CG LYS A 114 26.542 0.609 94.769 1.00 0.00 C ATOM 1734 CD LYS A 114 26.628 1.257 93.381 1.00 0.00 C ATOM 1735 CE LYS A 114 26.124 2.702 93.454 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.207 3.575 93.986 1.00 0.00 N ATOM 0 H LYS A 114 24.817 -1.016 95.055 1.00 0.00 H new ATOM 0 HA LYS A 114 26.545 -1.469 92.874 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.358 -1.125 95.781 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.258 -0.649 94.355 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.498 0.482 95.055 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.999 1.262 95.512 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.658 1.238 93.023 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.032 0.689 92.666 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.819 3.043 92.465 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.245 2.761 94.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 26.940 4.573 93.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.349 3.376 94.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.090 3.387 93.469 1.00 0.00 H new ATOM 1750 N ALA A 115 26.225 -3.979 94.819 1.00 0.00 N ATOM 1751 CA ALA A 115 26.647 -5.382 95.023 1.00 0.00 C ATOM 1752 C ALA A 115 26.639 -6.088 93.672 1.00 0.00 C ATOM 1753 O ALA A 115 27.519 -6.868 93.361 1.00 0.00 O ATOM 1754 CB ALA A 115 25.674 -6.084 95.968 1.00 0.00 C ATOM 0 H ALA A 115 25.344 -3.721 95.263 1.00 0.00 H new ATOM 0 HA ALA A 115 27.645 -5.410 95.459 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.990 -7.117 96.114 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.663 -5.568 96.928 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.673 -6.069 95.537 1.00 0.00 H new ATOM 1760 N LEU A 116 25.657 -5.818 92.853 1.00 0.00 N ATOM 1761 CA LEU A 116 25.631 -6.486 91.524 1.00 0.00 C ATOM 1762 C LEU A 116 26.756 -5.914 90.655 1.00 0.00 C ATOM 1763 O LEU A 116 27.160 -6.515 89.680 1.00 0.00 O ATOM 1764 CB LEU A 116 24.281 -6.245 90.829 1.00 0.00 C ATOM 1765 CG LEU A 116 23.378 -7.496 90.878 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.272 -7.344 89.831 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.170 -8.782 90.572 1.00 0.00 C ATOM 0 H LEU A 116 24.887 -5.177 93.043 1.00 0.00 H new ATOM 0 HA LEU A 116 25.769 -7.558 91.662 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.770 -5.409 91.308 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.453 -5.961 89.791 1.00 0.00 H new ATOM 0 HG LEU A 116 22.964 -7.579 91.883 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.626 -8.221 89.854 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.683 -6.454 90.051 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.719 -7.249 88.841 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.500 -9.641 90.616 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.606 -8.712 89.575 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.965 -8.904 91.308 1.00 0.00 H new ATOM 1779 N LEU A 117 27.278 -4.766 91.001 1.00 0.00 N ATOM 1780 CA LEU A 117 28.381 -4.185 90.185 1.00 0.00 C ATOM 1781 C LEU A 117 29.670 -4.916 90.559 1.00 0.00 C ATOM 1782 O LEU A 117 30.736 -4.648 90.054 1.00 0.00 O ATOM 1783 CB LEU A 117 28.460 -2.664 90.461 1.00 0.00 C ATOM 1784 CG LEU A 117 29.683 -2.275 91.324 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.963 -2.229 90.474 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.448 -0.886 91.942 1.00 0.00 C ATOM 0 H LEU A 117 26.990 -4.211 91.807 1.00 0.00 H new ATOM 0 HA LEU A 117 28.211 -4.311 89.116 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.505 -2.129 89.512 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.548 -2.343 90.965 1.00 0.00 H new ATOM 0 HG LEU A 117 29.805 -3.025 92.105 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.809 -1.953 91.104 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.143 -3.210 90.034 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.846 -1.491 89.680 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.308 -0.609 92.551 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.314 -0.152 91.147 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.555 -0.912 92.566 1.00 0.00 H new ATOM 1798 N GLN A 118 29.557 -5.875 91.426 1.00 0.00 N ATOM 1799 CA GLN A 118 30.750 -6.655 91.832 1.00 0.00 C ATOM 1800 C GLN A 118 31.235 -7.497 90.646 1.00 0.00 C ATOM 1801 O GLN A 118 30.500 -7.601 89.677 1.00 0.00 O ATOM 1802 CB GLN A 118 30.370 -7.583 92.988 1.00 0.00 C ATOM 1803 CG GLN A 118 29.497 -8.731 92.463 1.00 0.00 C ATOM 1804 CD GLN A 118 30.391 -9.861 91.947 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.394 -10.182 92.555 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.072 -10.478 90.843 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.334 -8.020 90.726 1.00 0.00 O ATOM 0 H GLN A 118 28.684 -6.154 91.874 1.00 0.00 H new ATOM 0 HA GLN A 118 31.544 -5.977 92.147 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.269 -7.982 93.457 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.832 -7.025 93.754 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.848 -9.101 93.257 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.849 -8.372 91.663 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.231 -10.209 90.333 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.664 -11.230 90.490 1.00 0.00 H new