USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=31 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 40:sc= -0.104! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -16.3! C(o=-19!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.755) USER MOD Set 2.2: A 103 THR OG1 : rot -149:sc= -1.95! USER MOD Set 3.1: A 40 HIS : no HD1:sc= -0.94! C(o=-0.37!,f=-5.4!) USER MOD Set 3.2: A 74 SER OG : rot 121:sc= 0.575 USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.0634 (180deg=-0.542) USER MOD Single : A 7 MET CE :methyl 138:sc= -0.374 (180deg=-3.79!) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0153 (180deg=-0.436) USER MOD Single : A 12 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.2) USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= -0.272 (180deg=-1.56!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.54 F(o=-4.9!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= -0.304 (180deg=-1.13) USER MOD Single : A 41 TYR OH : rot 165:sc= -2.52! USER MOD Single : A 45 CYS SG : rot 30:sc= -0.0295 USER MOD Single : A 47 GLN :FLIP amide:sc= -3.5! C(o=-7.8!,f=-3.5!) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= -1.22 (180deg=-1.31) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.695! C(o=-13!,f=-0.69!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.153) USER MOD Single : A 67 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-5.5!) USER MOD Single : A 68 HIS : no HE2:sc= -3.55! C(o=-3.6!,f=-10!) USER MOD Single : A 70 THR OG1 : rot 106:sc= -5.97! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.197 USER MOD Single : A 80 HIS : no HD1:sc= -0.342 K(o=-0.34,f=-2.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -2.44 USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= -0.162 (180deg=-1.08) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -2.29! (180deg=-2.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000573) USER MOD Single : A 111 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.7!) USER MOD Single : A 114 LYS NZ :NH3+ 158:sc= -1.08 (180deg=-1.96) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.710 -7.189 86.233 1.00 0.00 N ATOM 44 CA LYS A 4 -6.295 -6.861 87.624 1.00 0.00 C ATOM 45 C LYS A 4 -5.786 -8.126 88.325 1.00 0.00 C ATOM 46 O LYS A 4 -4.629 -8.223 88.682 1.00 0.00 O ATOM 47 CB LYS A 4 -7.501 -6.299 88.383 1.00 0.00 C ATOM 48 CG LYS A 4 -7.898 -4.938 87.791 1.00 0.00 C ATOM 49 CD LYS A 4 -7.107 -3.823 88.481 1.00 0.00 C ATOM 50 CE LYS A 4 -7.521 -2.467 87.904 1.00 0.00 C ATOM 51 NZ LYS A 4 -8.954 -2.206 88.220 1.00 0.00 N ATOM 0 HA LYS A 4 -5.495 -6.121 87.604 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.339 -6.993 88.318 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.259 -6.190 89.440 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.702 -4.926 86.719 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.967 -4.772 87.921 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.291 -3.844 89.555 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.038 -3.979 88.338 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.896 -1.677 88.321 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.369 -2.458 86.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.143 -1.185 88.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.557 -2.711 87.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.163 -2.539 89.183 1.00 0.00 H new ATOM 65 N GLU A 5 -6.643 -9.094 88.527 1.00 0.00 N ATOM 66 CA GLU A 5 -6.215 -10.353 89.212 1.00 0.00 C ATOM 67 C GLU A 5 -4.861 -10.816 88.662 1.00 0.00 C ATOM 68 O GLU A 5 -4.091 -11.462 89.345 1.00 0.00 O ATOM 69 CB GLU A 5 -7.260 -11.444 88.968 1.00 0.00 C ATOM 70 CG GLU A 5 -6.963 -12.649 89.862 1.00 0.00 C ATOM 71 CD GLU A 5 -7.841 -13.827 89.438 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.411 -13.759 88.362 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.930 -14.778 90.198 1.00 0.00 O ATOM 0 H GLU A 5 -7.623 -9.067 88.247 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.121 -10.163 90.281 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.258 -11.059 89.179 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.249 -11.744 87.920 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.910 -12.921 89.786 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.153 -12.397 90.905 1.00 0.00 H new ATOM 80 N PHE A 6 -4.565 -10.486 87.437 1.00 0.00 N ATOM 81 CA PHE A 6 -3.262 -10.897 86.840 1.00 0.00 C ATOM 82 C PHE A 6 -2.135 -10.162 87.579 1.00 0.00 C ATOM 83 O PHE A 6 -1.467 -10.727 88.420 1.00 0.00 O ATOM 84 CB PHE A 6 -3.257 -10.532 85.347 1.00 0.00 C ATOM 85 CG PHE A 6 -2.285 -11.403 84.570 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.136 -11.937 85.177 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.543 -11.672 83.218 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.256 -12.734 84.433 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.661 -12.468 82.478 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.518 -12.998 83.085 1.00 0.00 C ATOM 0 H PHE A 6 -5.172 -9.947 86.819 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.114 -11.973 86.937 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.261 -10.649 84.938 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.985 -9.483 85.228 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.931 -11.733 86.218 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.425 -11.264 82.746 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.626 -13.145 84.901 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.863 -12.673 81.437 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.162 -13.611 82.513 1.00 0.00 H new ATOM 100 N MET A 7 -1.912 -8.911 87.273 1.00 0.00 N ATOM 101 CA MET A 7 -0.823 -8.159 87.965 1.00 0.00 C ATOM 102 C MET A 7 -1.016 -8.231 89.488 1.00 0.00 C ATOM 103 O MET A 7 -0.066 -8.173 90.243 1.00 0.00 O ATOM 104 CB MET A 7 -0.827 -6.691 87.504 1.00 0.00 C ATOM 105 CG MET A 7 -1.894 -5.892 88.265 1.00 0.00 C ATOM 106 SD MET A 7 -2.476 -4.524 87.228 1.00 0.00 S ATOM 107 CE MET A 7 -3.328 -5.520 85.977 1.00 0.00 C ATOM 0 H MET A 7 -2.434 -8.379 86.577 1.00 0.00 H new ATOM 0 HA MET A 7 0.136 -8.610 87.710 1.00 0.00 H new ATOM 0 HB2 MET A 7 0.155 -6.249 87.671 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.022 -6.641 86.433 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.728 -6.541 88.532 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.480 -5.506 89.196 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.278 -5.050 85.723 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.708 -5.590 85.083 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.511 -6.520 86.371 1.00 0.00 H new ATOM 117 N TRP A 8 -2.235 -8.350 89.948 1.00 0.00 N ATOM 118 CA TRP A 8 -2.476 -8.416 91.420 1.00 0.00 C ATOM 119 C TRP A 8 -1.540 -9.445 92.063 1.00 0.00 C ATOM 120 O TRP A 8 -1.203 -9.349 93.227 1.00 0.00 O ATOM 121 CB TRP A 8 -3.931 -8.815 91.685 1.00 0.00 C ATOM 122 CG TRP A 8 -4.299 -8.456 93.089 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.566 -9.343 94.074 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.442 -7.131 93.680 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.862 -8.649 95.233 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.799 -7.282 95.040 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.297 -5.827 93.173 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.006 -6.178 95.869 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.504 -4.714 94.004 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.858 -4.889 95.349 1.00 0.00 C ATOM 0 H TRP A 8 -3.073 -8.404 89.368 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.280 -7.436 91.854 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.592 -8.307 90.983 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.060 -9.886 91.526 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.551 -10.418 93.972 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.098 -9.092 96.121 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.025 -5.681 92.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.278 -6.319 96.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.390 -3.717 93.604 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.016 -4.029 95.983 1.00 0.00 H new ATOM 141 N ALA A 9 -1.121 -10.429 91.317 1.00 0.00 N ATOM 142 CA ALA A 9 -0.212 -11.464 91.883 1.00 0.00 C ATOM 143 C ALA A 9 1.241 -10.992 91.783 1.00 0.00 C ATOM 144 O ALA A 9 1.925 -10.868 92.779 1.00 0.00 O ATOM 145 CB ALA A 9 -0.384 -12.778 91.123 1.00 0.00 C ATOM 0 H ALA A 9 -1.370 -10.561 90.337 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.463 -11.623 92.932 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.284 -13.531 91.542 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.416 -13.118 91.213 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.143 -12.624 90.071 1.00 0.00 H new ATOM 151 N LEU A 10 1.718 -10.703 90.598 1.00 0.00 N ATOM 152 CA LEU A 10 3.121 -10.208 90.471 1.00 0.00 C ATOM 153 C LEU A 10 3.280 -9.047 91.446 1.00 0.00 C ATOM 154 O LEU A 10 4.366 -8.581 91.733 1.00 0.00 O ATOM 155 CB LEU A 10 3.371 -9.687 89.047 1.00 0.00 C ATOM 156 CG LEU A 10 3.226 -10.818 88.015 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.858 -10.730 87.330 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.319 -10.673 86.953 1.00 0.00 C ATOM 0 H LEU A 10 1.202 -10.787 89.722 1.00 0.00 H new ATOM 0 HA LEU A 10 3.825 -11.013 90.682 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.665 -8.888 88.819 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.371 -9.257 88.983 1.00 0.00 H new ATOM 0 HG LEU A 10 3.317 -11.778 88.523 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.764 -11.535 86.601 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.070 -10.824 88.077 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.766 -9.769 86.824 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.221 -11.472 86.219 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.217 -9.709 86.455 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.298 -10.735 87.428 1.00 0.00 H new ATOM 170 N LYS A 11 2.168 -8.569 91.921 1.00 0.00 N ATOM 171 CA LYS A 11 2.141 -7.413 92.852 1.00 0.00 C ATOM 172 C LYS A 11 2.197 -7.860 94.319 1.00 0.00 C ATOM 173 O LYS A 11 3.165 -7.629 95.016 1.00 0.00 O ATOM 174 CB LYS A 11 0.828 -6.676 92.605 1.00 0.00 C ATOM 175 CG LYS A 11 0.582 -5.639 93.693 1.00 0.00 C ATOM 176 CD LYS A 11 -0.536 -4.710 93.229 1.00 0.00 C ATOM 177 CE LYS A 11 -1.064 -3.917 94.416 1.00 0.00 C ATOM 178 NZ LYS A 11 0.073 -3.238 95.095 1.00 0.00 N ATOM 0 H LYS A 11 1.247 -8.945 91.694 1.00 0.00 H new ATOM 0 HA LYS A 11 3.010 -6.780 92.672 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.856 -6.189 91.630 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.004 -7.389 92.581 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.306 -6.128 94.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.491 -5.070 93.888 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.164 -4.031 92.461 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.341 -5.290 92.779 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.795 -3.181 94.081 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.576 -4.580 95.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.288 -2.461 95.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.577 -3.921 95.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.726 -2.857 94.381 1.00 0.00 H new ATOM 192 N ASN A 12 1.139 -8.454 94.796 1.00 0.00 N ATOM 193 CA ASN A 12 1.078 -8.872 96.221 1.00 0.00 C ATOM 194 C ASN A 12 1.773 -10.217 96.433 1.00 0.00 C ATOM 195 O ASN A 12 1.823 -10.725 97.535 1.00 0.00 O ATOM 196 CB ASN A 12 -0.392 -8.999 96.608 1.00 0.00 C ATOM 197 CG ASN A 12 -0.972 -7.610 96.888 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.883 -7.173 96.213 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.478 -6.893 97.859 1.00 0.00 N ATOM 0 H ASN A 12 0.304 -8.670 94.251 1.00 0.00 H new ATOM 0 HA ASN A 12 1.587 -8.131 96.837 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.949 -9.482 95.805 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.493 -9.631 97.491 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.856 -5.966 98.052 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.287 -7.260 98.426 1.00 0.00 H new ATOM 206 N GLY A 13 2.320 -10.795 95.407 1.00 0.00 N ATOM 207 CA GLY A 13 3.015 -12.094 95.583 1.00 0.00 C ATOM 208 C GLY A 13 2.013 -13.246 95.555 1.00 0.00 C ATOM 209 O GLY A 13 2.307 -14.335 96.006 1.00 0.00 O ATOM 0 H GLY A 13 2.316 -10.426 94.456 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.754 -12.228 94.793 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.556 -12.098 96.529 1.00 0.00 H new ATOM 213 N ASP A 14 0.844 -13.036 95.017 1.00 0.00 N ATOM 214 CA ASP A 14 -0.133 -14.148 94.948 1.00 0.00 C ATOM 215 C ASP A 14 0.398 -15.157 93.943 1.00 0.00 C ATOM 216 O ASP A 14 -0.263 -15.545 92.999 1.00 0.00 O ATOM 217 CB ASP A 14 -1.492 -13.629 94.504 1.00 0.00 C ATOM 218 CG ASP A 14 -1.735 -12.244 95.105 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.059 -11.910 96.065 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.593 -11.541 94.598 1.00 0.00 O ATOM 0 H ASP A 14 0.528 -12.148 94.626 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.257 -14.610 95.927 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.535 -13.577 93.416 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.276 -14.317 94.821 1.00 0.00 H new ATOM 225 N LEU A 15 1.610 -15.551 94.155 1.00 0.00 N ATOM 226 CA LEU A 15 2.290 -16.513 93.261 1.00 0.00 C ATOM 227 C LEU A 15 1.338 -17.655 92.899 1.00 0.00 C ATOM 228 O LEU A 15 1.444 -18.261 91.857 1.00 0.00 O ATOM 229 CB LEU A 15 3.528 -17.028 94.012 1.00 0.00 C ATOM 230 CG LEU A 15 4.351 -18.002 93.162 1.00 0.00 C ATOM 231 CD1 LEU A 15 3.678 -19.380 93.131 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.509 -17.466 91.734 1.00 0.00 C ATOM 0 H LEU A 15 2.179 -15.235 94.940 1.00 0.00 H new ATOM 0 HA LEU A 15 2.592 -16.042 92.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.153 -16.184 94.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.215 -17.524 94.931 1.00 0.00 H new ATOM 0 HG LEU A 15 5.339 -18.100 93.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.273 -20.062 92.524 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.601 -19.770 94.146 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.680 -19.288 92.701 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.096 -18.170 91.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.525 -17.344 91.280 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.018 -16.503 91.761 1.00 0.00 H new ATOM 244 N ASP A 16 0.400 -17.941 93.746 1.00 0.00 N ATOM 245 CA ASP A 16 -0.568 -19.027 93.456 1.00 0.00 C ATOM 246 C ASP A 16 -1.429 -18.644 92.244 1.00 0.00 C ATOM 247 O ASP A 16 -1.870 -19.489 91.487 1.00 0.00 O ATOM 248 CB ASP A 16 -1.468 -19.213 94.676 1.00 0.00 C ATOM 249 CG ASP A 16 -0.667 -19.851 95.814 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.514 -19.563 95.914 1.00 0.00 O ATOM 251 OD2 ASP A 16 -1.249 -20.616 96.565 1.00 0.00 O ATOM 0 H ASP A 16 0.259 -17.465 94.637 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.033 -19.951 93.236 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.868 -18.251 94.995 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.319 -19.843 94.419 1.00 0.00 H new ATOM 256 N GLU A 17 -1.691 -17.375 92.074 1.00 0.00 N ATOM 257 CA GLU A 17 -2.551 -16.924 90.935 1.00 0.00 C ATOM 258 C GLU A 17 -1.761 -16.896 89.614 1.00 0.00 C ATOM 259 O GLU A 17 -2.233 -17.372 88.597 1.00 0.00 O ATOM 260 CB GLU A 17 -3.095 -15.527 91.244 1.00 0.00 C ATOM 261 CG GLU A 17 -4.294 -15.638 92.193 1.00 0.00 C ATOM 262 CD GLU A 17 -3.950 -16.567 93.362 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.896 -17.766 93.143 1.00 0.00 O ATOM 264 OE2 GLU A 17 -3.749 -16.063 94.455 1.00 0.00 O ATOM 0 H GLU A 17 -1.346 -16.627 92.676 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.373 -17.630 90.817 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.315 -14.915 91.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.394 -15.030 90.321 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.564 -14.651 92.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.161 -16.022 91.655 1.00 0.00 H new ATOM 271 N VAL A 18 -0.567 -16.360 89.602 1.00 0.00 N ATOM 272 CA VAL A 18 0.204 -16.340 88.320 1.00 0.00 C ATOM 273 C VAL A 18 0.507 -17.786 87.942 1.00 0.00 C ATOM 274 O VAL A 18 0.553 -18.144 86.783 1.00 0.00 O ATOM 275 CB VAL A 18 1.531 -15.581 88.507 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.357 -14.092 88.167 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.988 -15.725 89.961 1.00 0.00 C ATOM 0 H VAL A 18 -0.099 -15.943 90.407 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.376 -15.841 87.543 1.00 0.00 H new ATOM 0 HB VAL A 18 2.279 -16.003 87.836 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.306 -13.574 88.306 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.036 -13.991 87.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.605 -13.654 88.824 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.927 -15.190 90.102 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.230 -15.308 90.624 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.133 -16.780 90.194 1.00 0.00 H new ATOM 287 N LYS A 19 0.702 -18.615 88.929 1.00 0.00 N ATOM 288 CA LYS A 19 0.992 -20.050 88.673 1.00 0.00 C ATOM 289 C LYS A 19 -0.140 -20.658 87.845 1.00 0.00 C ATOM 290 O LYS A 19 0.064 -21.577 87.080 1.00 0.00 O ATOM 291 CB LYS A 19 1.092 -20.779 90.019 1.00 0.00 C ATOM 292 CG LYS A 19 1.873 -22.085 89.859 1.00 0.00 C ATOM 293 CD LYS A 19 3.358 -21.777 89.602 1.00 0.00 C ATOM 294 CE LYS A 19 4.216 -22.349 90.732 1.00 0.00 C ATOM 295 NZ LYS A 19 3.878 -23.787 90.950 1.00 0.00 N ATOM 0 H LYS A 19 0.672 -18.354 89.915 1.00 0.00 H new ATOM 0 HA LYS A 19 1.929 -20.150 88.126 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.586 -20.140 90.751 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.093 -20.989 90.402 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.769 -22.694 90.757 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.464 -22.665 89.032 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.667 -22.205 88.648 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.507 -20.700 89.531 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.273 -22.248 90.484 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.048 -21.784 91.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.740 -24.312 91.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.188 -23.868 91.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.470 -24.184 90.079 1.00 0.00 H new ATOM 309 N ASP A 20 -1.331 -20.154 88.000 1.00 0.00 N ATOM 310 CA ASP A 20 -2.484 -20.705 87.233 1.00 0.00 C ATOM 311 C ASP A 20 -2.298 -20.430 85.737 1.00 0.00 C ATOM 312 O ASP A 20 -2.354 -21.329 84.920 1.00 0.00 O ATOM 313 CB ASP A 20 -3.782 -20.047 87.713 1.00 0.00 C ATOM 314 CG ASP A 20 -4.973 -20.686 86.994 1.00 0.00 C ATOM 315 OD1 ASP A 20 -5.418 -21.731 87.438 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.419 -20.118 86.009 1.00 0.00 O ATOM 0 H ASP A 20 -1.558 -19.382 88.627 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.537 -21.781 87.396 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.887 -20.168 88.791 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.755 -18.976 87.513 1.00 0.00 H new ATOM 321 N TYR A 21 -2.082 -19.198 85.364 1.00 0.00 N ATOM 322 CA TYR A 21 -1.901 -18.892 83.913 1.00 0.00 C ATOM 323 C TYR A 21 -0.668 -19.632 83.382 1.00 0.00 C ATOM 324 O TYR A 21 -0.730 -20.354 82.408 1.00 0.00 O ATOM 325 CB TYR A 21 -1.705 -17.382 83.720 1.00 0.00 C ATOM 326 CG TYR A 21 -2.412 -16.627 84.822 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.673 -17.043 85.261 1.00 0.00 C ATOM 328 CD2 TYR A 21 -1.805 -15.507 85.402 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.327 -16.341 86.279 1.00 0.00 C ATOM 330 CE2 TYR A 21 -2.459 -14.804 86.420 1.00 0.00 C ATOM 331 CZ TYR A 21 -3.721 -15.222 86.859 1.00 0.00 C ATOM 332 OH TYR A 21 -4.368 -14.529 87.863 1.00 0.00 O ATOM 0 H TYR A 21 -2.023 -18.397 85.992 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.787 -19.216 83.367 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.642 -17.141 83.726 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.096 -17.077 82.749 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.142 -17.907 84.814 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.831 -15.185 85.064 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.301 -16.663 86.617 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.991 -13.940 86.867 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.809 -13.780 88.156 1.00 0.00 H new ATOM 342 N VAL A 22 0.451 -19.435 84.017 1.00 0.00 N ATOM 343 CA VAL A 22 1.711 -20.090 83.576 1.00 0.00 C ATOM 344 C VAL A 22 1.624 -21.604 83.791 1.00 0.00 C ATOM 345 O VAL A 22 2.324 -22.365 83.152 1.00 0.00 O ATOM 346 CB VAL A 22 2.865 -19.479 84.371 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.141 -20.304 84.191 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.102 -18.059 83.858 1.00 0.00 C ATOM 0 H VAL A 22 0.547 -18.837 84.838 1.00 0.00 H new ATOM 0 HA VAL A 22 1.877 -19.925 82.511 1.00 0.00 H new ATOM 0 HB VAL A 22 2.610 -19.468 85.431 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.950 -19.852 84.765 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.970 -21.321 84.544 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.413 -20.327 83.136 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.923 -17.604 84.413 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.355 -18.092 82.798 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.198 -17.466 83.997 1.00 0.00 H new ATOM 358 N ALA A 23 0.757 -22.061 84.658 1.00 0.00 N ATOM 359 CA ALA A 23 0.634 -23.531 84.852 1.00 0.00 C ATOM 360 C ALA A 23 0.229 -24.120 83.506 1.00 0.00 C ATOM 361 O ALA A 23 0.419 -25.287 83.230 1.00 0.00 O ATOM 362 CB ALA A 23 -0.447 -23.846 85.893 1.00 0.00 C ATOM 0 H ALA A 23 0.138 -21.487 85.231 1.00 0.00 H new ATOM 0 HA ALA A 23 1.575 -23.951 85.207 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.524 -24.926 86.023 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.182 -23.384 86.844 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.405 -23.452 85.553 1.00 0.00 H new ATOM 368 N LYS A 24 -0.317 -23.289 82.660 1.00 0.00 N ATOM 369 CA LYS A 24 -0.736 -23.735 81.314 1.00 0.00 C ATOM 370 C LYS A 24 0.475 -24.304 80.574 1.00 0.00 C ATOM 371 O LYS A 24 0.776 -25.478 80.664 1.00 0.00 O ATOM 372 CB LYS A 24 -1.271 -22.517 80.561 1.00 0.00 C ATOM 373 CG LYS A 24 -1.608 -22.892 79.113 1.00 0.00 C ATOM 374 CD LYS A 24 -3.118 -22.787 78.889 1.00 0.00 C ATOM 375 CE LYS A 24 -3.851 -23.810 79.768 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.164 -24.147 79.149 1.00 0.00 N ATOM 0 H LYS A 24 -0.491 -22.303 82.855 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.505 -24.505 81.384 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.161 -22.134 81.061 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.529 -21.718 80.574 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.082 -22.231 78.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.269 -23.906 78.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.460 -21.780 79.126 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.351 -22.964 77.839 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.247 -24.711 79.877 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.002 -23.404 80.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.661 -24.840 79.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.740 -23.285 79.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.008 -24.551 78.203 1.00 0.00 H new ATOM 390 N GLY A 25 1.174 -23.478 79.847 1.00 0.00 N ATOM 391 CA GLY A 25 2.367 -23.974 79.107 1.00 0.00 C ATOM 392 C GLY A 25 3.197 -22.803 78.575 1.00 0.00 C ATOM 393 O GLY A 25 2.803 -22.112 77.657 1.00 0.00 O ATOM 0 H GLY A 25 0.972 -22.485 79.733 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.979 -24.591 79.765 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.050 -24.608 78.279 1.00 0.00 H new ATOM 397 N GLU A 26 4.355 -22.594 79.146 1.00 0.00 N ATOM 398 CA GLU A 26 5.256 -21.488 78.698 1.00 0.00 C ATOM 399 C GLU A 26 4.450 -20.263 78.252 1.00 0.00 C ATOM 400 O GLU A 26 4.142 -20.090 77.090 1.00 0.00 O ATOM 401 CB GLU A 26 6.169 -21.968 77.559 1.00 0.00 C ATOM 402 CG GLU A 26 5.408 -22.896 76.611 1.00 0.00 C ATOM 403 CD GLU A 26 6.343 -23.334 75.482 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.556 -22.546 74.576 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.834 -24.449 75.546 1.00 0.00 O ATOM 0 H GLU A 26 4.721 -23.152 79.917 1.00 0.00 H new ATOM 0 HA GLU A 26 5.875 -21.195 79.546 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.551 -21.110 77.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.031 -22.491 77.973 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.039 -23.767 77.153 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.538 -22.383 76.201 1.00 0.00 H new ATOM 412 N ASP A 27 4.137 -19.401 79.178 1.00 0.00 N ATOM 413 CA ASP A 27 3.382 -18.157 78.853 1.00 0.00 C ATOM 414 C ASP A 27 4.026 -17.016 79.632 1.00 0.00 C ATOM 415 O ASP A 27 3.375 -16.078 80.045 1.00 0.00 O ATOM 416 CB ASP A 27 1.922 -18.301 79.290 1.00 0.00 C ATOM 417 CG ASP A 27 1.190 -19.251 78.343 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.781 -18.803 77.285 1.00 0.00 O ATOM 419 OD2 ASP A 27 1.047 -20.411 78.694 1.00 0.00 O ATOM 0 H ASP A 27 4.376 -19.507 80.164 1.00 0.00 H new ATOM 0 HA ASP A 27 3.408 -17.967 77.780 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.874 -18.681 80.310 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.435 -17.326 79.290 1.00 0.00 H new ATOM 424 N VAL A 28 5.306 -17.116 79.863 1.00 0.00 N ATOM 425 CA VAL A 28 6.018 -16.073 80.647 1.00 0.00 C ATOM 426 C VAL A 28 6.766 -15.115 79.717 1.00 0.00 C ATOM 427 O VAL A 28 7.978 -15.031 79.730 1.00 0.00 O ATOM 428 CB VAL A 28 6.993 -16.772 81.591 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.186 -17.580 82.607 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.895 -17.725 80.799 1.00 0.00 C ATOM 0 H VAL A 28 5.893 -17.884 79.538 1.00 0.00 H new ATOM 0 HA VAL A 28 5.301 -15.483 81.218 1.00 0.00 H new ATOM 0 HB VAL A 28 7.612 -16.030 82.095 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.866 -18.087 83.291 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.537 -16.910 83.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.579 -18.319 82.084 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.588 -18.220 81.480 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.282 -18.474 80.298 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.458 -17.160 80.056 1.00 0.00 H new ATOM 440 N ASN A 29 6.042 -14.382 78.923 1.00 0.00 N ATOM 441 CA ASN A 29 6.675 -13.415 77.996 1.00 0.00 C ATOM 442 C ASN A 29 5.568 -12.647 77.274 1.00 0.00 C ATOM 443 O ASN A 29 5.684 -12.298 76.117 1.00 0.00 O ATOM 444 CB ASN A 29 7.538 -14.168 76.984 1.00 0.00 C ATOM 445 CG ASN A 29 6.845 -15.469 76.586 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.905 -16.497 77.384 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.242 -15.552 75.535 1.00 0.00 N flip ATOM 0 H ASN A 29 5.023 -14.414 78.878 1.00 0.00 H new ATOM 0 HA ASN A 29 7.309 -12.720 78.546 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.706 -13.549 76.102 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.517 -14.382 77.414 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.194 -14.748 74.909 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.783 -16.426 75.278 1.00 0.00 H new ATOM 454 N ARG A 30 4.486 -12.393 77.963 1.00 0.00 N ATOM 455 CA ARG A 30 3.345 -11.657 77.352 1.00 0.00 C ATOM 456 C ARG A 30 3.278 -10.247 77.937 1.00 0.00 C ATOM 457 O ARG A 30 3.282 -10.066 79.137 1.00 0.00 O ATOM 458 CB ARG A 30 2.046 -12.400 77.670 1.00 0.00 C ATOM 459 CG ARG A 30 2.250 -13.900 77.448 1.00 0.00 C ATOM 460 CD ARG A 30 0.944 -14.642 77.735 1.00 0.00 C ATOM 461 NE ARG A 30 -0.101 -14.200 76.769 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.193 -14.898 76.627 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.376 -15.976 77.339 1.00 0.00 N ATOM 464 NH2 ARG A 30 -2.105 -14.517 75.774 1.00 0.00 N ATOM 0 H ARG A 30 4.345 -12.669 78.935 1.00 0.00 H new ATOM 0 HA ARG A 30 3.482 -11.595 76.272 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.749 -12.211 78.702 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.240 -12.034 77.034 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.568 -14.086 76.422 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.041 -14.270 78.100 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.099 -15.718 77.653 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.618 -14.444 78.756 1.00 0.00 H new ATOM 0 HE ARG A 30 0.038 -13.352 76.219 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.665 -16.273 78.007 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.230 -16.522 77.228 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.963 -13.673 75.219 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.959 -15.063 75.663 1.00 0.00 H new ATOM 478 N THR A 31 3.208 -9.247 77.106 1.00 0.00 N ATOM 479 CA THR A 31 3.135 -7.854 77.632 1.00 0.00 C ATOM 480 C THR A 31 2.070 -7.796 78.725 1.00 0.00 C ATOM 481 O THR A 31 0.935 -8.180 78.521 1.00 0.00 O ATOM 482 CB THR A 31 2.752 -6.891 76.504 1.00 0.00 C ATOM 483 OG1 THR A 31 3.749 -6.924 75.492 1.00 0.00 O ATOM 484 CG2 THR A 31 2.639 -5.471 77.060 1.00 0.00 C ATOM 0 H THR A 31 3.198 -9.331 76.090 1.00 0.00 H new ATOM 0 HA THR A 31 4.105 -7.565 78.035 1.00 0.00 H new ATOM 0 HB THR A 31 1.794 -7.193 76.081 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.503 -6.309 74.770 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.366 -4.786 76.257 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.873 -5.444 77.835 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.596 -5.169 77.485 1.00 0.00 H new ATOM 492 N LEU A 32 2.428 -7.332 79.889 1.00 0.00 N ATOM 493 CA LEU A 32 1.436 -7.264 80.994 1.00 0.00 C ATOM 494 C LEU A 32 0.270 -6.358 80.571 1.00 0.00 C ATOM 495 O LEU A 32 -0.057 -6.262 79.405 1.00 0.00 O ATOM 496 CB LEU A 32 2.122 -6.725 82.262 1.00 0.00 C ATOM 497 CG LEU A 32 1.846 -7.667 83.443 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.744 -7.294 84.625 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.379 -7.542 83.867 1.00 0.00 C ATOM 0 H LEU A 32 3.363 -6.998 80.122 1.00 0.00 H new ATOM 0 HA LEU A 32 1.043 -8.257 81.210 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.196 -6.639 82.097 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.753 -5.725 82.489 1.00 0.00 H new ATOM 0 HG LEU A 32 2.055 -8.692 83.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.544 -7.965 85.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.790 -7.383 84.330 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.539 -6.267 84.928 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.184 -8.211 84.705 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.173 -6.515 84.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.266 -7.811 83.030 1.00 0.00 H new ATOM 511 N GLU A 33 -0.375 -5.712 81.504 1.00 0.00 N ATOM 512 CA GLU A 33 -1.535 -4.840 81.149 1.00 0.00 C ATOM 513 C GLU A 33 -1.053 -3.494 80.591 1.00 0.00 C ATOM 514 O GLU A 33 -1.441 -2.444 81.060 1.00 0.00 O ATOM 515 CB GLU A 33 -2.377 -4.619 82.415 1.00 0.00 C ATOM 516 CG GLU A 33 -3.482 -3.565 82.192 1.00 0.00 C ATOM 517 CD GLU A 33 -3.884 -3.501 80.715 1.00 0.00 C ATOM 518 OE1 GLU A 33 -4.293 -4.521 80.186 1.00 0.00 O ATOM 519 OE2 GLU A 33 -3.776 -2.430 80.140 1.00 0.00 O ATOM 0 H GLU A 33 -0.150 -5.749 82.498 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.135 -5.323 80.378 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.831 -5.562 82.719 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.729 -4.299 83.231 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.353 -3.810 82.800 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.129 -2.587 82.520 1.00 0.00 H new ATOM 526 N GLY A 34 -0.226 -3.507 79.582 1.00 0.00 N ATOM 527 CA GLY A 34 0.241 -2.212 79.011 1.00 0.00 C ATOM 528 C GLY A 34 1.410 -2.436 78.054 1.00 0.00 C ATOM 529 O GLY A 34 1.251 -2.930 76.956 1.00 0.00 O ATOM 0 H GLY A 34 0.142 -4.346 79.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.579 -1.724 78.484 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.546 -1.543 79.815 1.00 0.00 H new ATOM 533 N GLY A 35 2.585 -2.062 78.472 1.00 0.00 N ATOM 534 CA GLY A 35 3.797 -2.229 77.614 1.00 0.00 C ATOM 535 C GLY A 35 4.914 -2.837 78.458 1.00 0.00 C ATOM 536 O GLY A 35 6.071 -2.808 78.090 1.00 0.00 O ATOM 0 H GLY A 35 2.763 -1.641 79.384 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.572 -2.873 76.764 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.110 -1.266 77.210 1.00 0.00 H new ATOM 540 N ARG A 36 4.573 -3.377 79.599 1.00 0.00 N ATOM 541 CA ARG A 36 5.608 -3.978 80.490 1.00 0.00 C ATOM 542 C ARG A 36 5.509 -5.512 80.465 1.00 0.00 C ATOM 543 O ARG A 36 4.570 -6.080 79.944 1.00 0.00 O ATOM 544 CB ARG A 36 5.390 -3.462 81.916 1.00 0.00 C ATOM 545 CG ARG A 36 5.584 -1.941 81.939 1.00 0.00 C ATOM 546 CD ARG A 36 5.458 -1.417 83.378 1.00 0.00 C ATOM 547 NE ARG A 36 4.551 -0.234 83.395 1.00 0.00 N ATOM 548 CZ ARG A 36 4.037 0.183 84.521 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.292 -0.453 85.633 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.261 1.233 84.535 1.00 0.00 N ATOM 0 H ARG A 36 3.618 -3.427 79.953 1.00 0.00 H new ATOM 0 HA ARG A 36 6.600 -3.693 80.140 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.387 -3.718 82.258 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.092 -3.940 82.599 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.563 -1.685 81.534 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.841 -1.462 81.302 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.067 -2.199 84.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.440 -1.142 83.764 1.00 0.00 H new ATOM 0 HE ARG A 36 4.331 0.251 82.525 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.893 -1.277 85.623 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.890 -0.126 86.511 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.056 1.727 83.667 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.860 1.559 85.414 1.00 0.00 H new ATOM 564 N LYS A 37 6.488 -6.176 81.021 1.00 0.00 N ATOM 565 CA LYS A 37 6.497 -7.673 81.043 1.00 0.00 C ATOM 566 C LYS A 37 6.103 -8.159 82.455 1.00 0.00 C ATOM 567 O LYS A 37 6.161 -7.395 83.395 1.00 0.00 O ATOM 568 CB LYS A 37 7.917 -8.150 80.701 1.00 0.00 C ATOM 569 CG LYS A 37 8.936 -7.112 81.187 1.00 0.00 C ATOM 570 CD LYS A 37 8.766 -6.884 82.696 1.00 0.00 C ATOM 571 CE LYS A 37 10.036 -6.257 83.279 1.00 0.00 C ATOM 572 NZ LYS A 37 10.075 -4.804 82.943 1.00 0.00 N ATOM 0 H LYS A 37 7.295 -5.740 81.468 1.00 0.00 H new ATOM 0 HA LYS A 37 5.788 -8.074 80.319 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.111 -9.114 81.171 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.014 -8.295 79.625 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.948 -7.455 80.973 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.797 -6.174 80.650 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.912 -6.232 82.879 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.557 -7.831 83.194 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.057 -6.391 84.360 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.918 -6.757 82.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.568 -4.286 83.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.580 -4.669 82.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.104 -4.443 82.852 1.00 0.00 H new ATOM 586 N PRO A 38 5.696 -9.408 82.573 1.00 0.00 N ATOM 587 CA PRO A 38 5.279 -9.971 83.880 1.00 0.00 C ATOM 588 C PRO A 38 6.491 -10.194 84.811 1.00 0.00 C ATOM 589 O PRO A 38 6.584 -11.208 85.476 1.00 0.00 O ATOM 590 CB PRO A 38 4.632 -11.324 83.525 1.00 0.00 C ATOM 591 CG PRO A 38 4.967 -11.624 82.041 1.00 0.00 C ATOM 592 CD PRO A 38 5.598 -10.355 81.438 1.00 0.00 C ATOM 0 HA PRO A 38 4.604 -9.300 84.411 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.014 -12.114 84.172 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.553 -11.284 83.674 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.655 -12.466 81.967 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.066 -11.900 81.494 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.579 -10.565 81.012 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.982 -9.949 80.636 1.00 0.00 H new ATOM 600 N LEU A 39 7.421 -9.269 84.862 1.00 0.00 N ATOM 601 CA LEU A 39 8.621 -9.452 85.745 1.00 0.00 C ATOM 602 C LEU A 39 8.901 -8.161 86.532 1.00 0.00 C ATOM 603 O LEU A 39 9.606 -8.165 87.520 1.00 0.00 O ATOM 604 CB LEU A 39 9.832 -9.784 84.851 1.00 0.00 C ATOM 605 CG LEU A 39 10.993 -10.494 85.608 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.551 -11.126 86.931 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.568 -11.591 84.703 1.00 0.00 C ATOM 0 H LEU A 39 7.402 -8.397 84.333 1.00 0.00 H new ATOM 0 HA LEU A 39 8.439 -10.259 86.455 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.503 -10.421 84.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.209 -8.862 84.408 1.00 0.00 H new ATOM 0 HG LEU A 39 11.738 -9.735 85.848 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.406 -11.604 87.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.153 -10.353 87.588 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.779 -11.871 86.738 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.383 -12.098 85.219 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.786 -12.312 84.463 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.944 -11.144 83.783 1.00 0.00 H new ATOM 619 N HIS A 40 8.371 -7.052 86.089 1.00 0.00 N ATOM 620 CA HIS A 40 8.633 -5.758 86.795 1.00 0.00 C ATOM 621 C HIS A 40 7.900 -5.723 88.135 1.00 0.00 C ATOM 622 O HIS A 40 8.502 -5.528 89.171 1.00 0.00 O ATOM 623 CB HIS A 40 8.135 -4.601 85.927 1.00 0.00 C ATOM 624 CG HIS A 40 8.673 -3.300 86.460 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.877 -3.082 87.814 1.00 0.00 N ATOM 626 CD2 HIS A 40 9.052 -2.140 85.832 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.358 -1.834 87.956 1.00 0.00 C ATOM 628 NE2 HIS A 40 9.484 -1.215 86.779 1.00 0.00 N ATOM 0 H HIS A 40 7.768 -6.983 85.269 1.00 0.00 H new ATOM 0 HA HIS A 40 9.705 -5.665 86.972 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.456 -4.743 84.895 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.045 -4.580 85.922 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.020 -1.970 84.766 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.611 -1.387 88.906 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.824 -0.268 86.610 1.00 0.00 H new ATOM 636 N TYR A 41 6.611 -5.909 88.132 1.00 0.00 N ATOM 637 CA TYR A 41 5.859 -5.880 89.417 1.00 0.00 C ATOM 638 C TYR A 41 6.338 -7.037 90.283 1.00 0.00 C ATOM 639 O TYR A 41 6.473 -6.918 91.485 1.00 0.00 O ATOM 640 CB TYR A 41 4.367 -6.031 89.139 1.00 0.00 C ATOM 641 CG TYR A 41 3.985 -5.099 88.021 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.302 -5.425 86.696 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.327 -3.901 88.309 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.959 -4.550 85.661 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.982 -3.028 87.275 1.00 0.00 C ATOM 646 CZ TYR A 41 3.298 -3.351 85.950 1.00 0.00 C ATOM 647 OH TYR A 41 2.958 -2.488 84.929 1.00 0.00 O ATOM 0 H TYR A 41 6.047 -6.079 87.299 1.00 0.00 H new ATOM 0 HA TYR A 41 6.030 -4.934 89.930 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.136 -7.061 88.867 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.791 -5.801 90.035 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.811 -6.351 86.474 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.085 -3.650 89.331 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.204 -4.799 84.639 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.471 -2.103 87.498 1.00 0.00 H new ATOM 0 HH TYR A 41 2.306 -1.834 85.257 1.00 0.00 H new ATOM 657 N ALA A 42 6.626 -8.152 89.675 1.00 0.00 N ATOM 658 CA ALA A 42 7.132 -9.304 90.458 1.00 0.00 C ATOM 659 C ALA A 42 8.523 -8.933 90.958 1.00 0.00 C ATOM 660 O ALA A 42 8.785 -8.901 92.139 1.00 0.00 O ATOM 661 CB ALA A 42 7.197 -10.542 89.558 1.00 0.00 C ATOM 0 H ALA A 42 6.532 -8.313 88.672 1.00 0.00 H new ATOM 0 HA ALA A 42 6.477 -9.531 91.299 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.569 -11.390 90.132 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.200 -10.769 89.179 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.868 -10.348 88.721 1.00 0.00 H new ATOM 667 N ALA A 43 9.413 -8.612 90.071 1.00 0.00 N ATOM 668 CA ALA A 43 10.766 -8.206 90.518 1.00 0.00 C ATOM 669 C ALA A 43 10.609 -7.056 91.519 1.00 0.00 C ATOM 670 O ALA A 43 11.020 -7.144 92.660 1.00 0.00 O ATOM 671 CB ALA A 43 11.567 -7.714 89.308 1.00 0.00 C ATOM 0 H ALA A 43 9.264 -8.613 89.062 1.00 0.00 H new ATOM 0 HA ALA A 43 11.285 -9.046 90.980 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.564 -7.413 89.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.649 -8.517 88.575 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.059 -6.861 88.857 1.00 0.00 H new ATOM 677 N ASP A 44 10.009 -5.980 91.086 1.00 0.00 N ATOM 678 CA ASP A 44 9.808 -4.795 91.971 1.00 0.00 C ATOM 679 C ASP A 44 9.006 -5.159 93.228 1.00 0.00 C ATOM 680 O ASP A 44 9.119 -4.505 94.247 1.00 0.00 O ATOM 681 CB ASP A 44 9.048 -3.722 91.190 1.00 0.00 C ATOM 682 CG ASP A 44 8.862 -2.482 92.064 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.163 -2.583 93.059 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.418 -1.452 91.722 1.00 0.00 O ATOM 0 H ASP A 44 9.643 -5.870 90.140 1.00 0.00 H new ATOM 0 HA ASP A 44 10.786 -4.431 92.286 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.596 -3.461 90.284 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.077 -4.106 90.876 1.00 0.00 H new ATOM 689 N CYS A 45 8.186 -6.172 93.177 1.00 0.00 N ATOM 690 CA CYS A 45 7.383 -6.523 94.387 1.00 0.00 C ATOM 691 C CYS A 45 6.739 -7.897 94.202 1.00 0.00 C ATOM 692 O CYS A 45 5.533 -8.034 94.182 1.00 0.00 O ATOM 693 CB CYS A 45 6.288 -5.469 94.586 1.00 0.00 C ATOM 694 SG CYS A 45 5.936 -4.659 93.005 1.00 0.00 S ATOM 0 H CYS A 45 8.036 -6.767 92.362 1.00 0.00 H new ATOM 0 HA CYS A 45 8.035 -6.549 95.260 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.384 -5.937 94.976 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.608 -4.731 95.322 1.00 0.00 H new ATOM 0 HG CYS A 45 6.150 -5.494 92.032 1.00 0.00 H new ATOM 700 N GLY A 46 7.536 -8.914 94.063 1.00 0.00 N ATOM 701 CA GLY A 46 6.980 -10.289 93.875 1.00 0.00 C ATOM 702 C GLY A 46 7.341 -11.159 95.075 1.00 0.00 C ATOM 703 O GLY A 46 7.542 -12.350 94.941 1.00 0.00 O ATOM 0 H GLY A 46 8.554 -8.858 94.071 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.897 -10.241 93.761 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.377 -10.730 92.961 1.00 0.00 H new ATOM 707 N GLN A 47 7.465 -10.585 96.242 1.00 0.00 N ATOM 708 CA GLN A 47 7.858 -11.408 97.416 1.00 0.00 C ATOM 709 C GLN A 47 9.137 -12.151 97.020 1.00 0.00 C ATOM 710 O GLN A 47 9.561 -13.100 97.650 1.00 0.00 O ATOM 711 CB GLN A 47 6.732 -12.388 97.767 1.00 0.00 C ATOM 712 CG GLN A 47 5.631 -11.650 98.540 1.00 0.00 C ATOM 713 CD GLN A 47 5.330 -10.302 97.876 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.063 -10.261 96.600 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.335 -9.277 98.528 1.00 0.00 N flip ATOM 0 H GLN A 47 7.313 -9.594 96.430 1.00 0.00 H new ATOM 0 HA GLN A 47 8.034 -10.793 98.299 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.321 -12.826 96.858 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.124 -13.209 98.367 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.727 -12.259 98.570 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.944 -11.493 99.572 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.544 -9.308 99.526 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.130 -8.385 98.078 1.00 0.00 H new ATOM 724 N LEU A 48 9.747 -11.673 95.965 1.00 0.00 N ATOM 725 CA LEU A 48 11.018 -12.253 95.441 1.00 0.00 C ATOM 726 C LEU A 48 10.843 -13.717 95.043 1.00 0.00 C ATOM 727 O LEU A 48 11.789 -14.389 94.681 1.00 0.00 O ATOM 728 CB LEU A 48 12.110 -12.128 96.496 1.00 0.00 C ATOM 729 CG LEU A 48 12.626 -10.670 96.617 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.982 -9.727 95.588 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.337 -10.138 98.023 1.00 0.00 C ATOM 0 H LEU A 48 9.402 -10.877 95.428 1.00 0.00 H new ATOM 0 HA LEU A 48 11.303 -11.697 94.548 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.724 -12.459 97.460 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.939 -12.788 96.241 1.00 0.00 H new ATOM 0 HG LEU A 48 13.698 -10.694 96.422 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.379 -8.720 95.718 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.207 -10.079 94.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.902 -9.712 95.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.700 -9.114 98.106 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.263 -10.158 98.206 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.842 -10.763 98.759 1.00 0.00 H new ATOM 743 N GLU A 49 9.645 -14.207 95.081 1.00 0.00 N ATOM 744 CA GLU A 49 9.386 -15.619 94.673 1.00 0.00 C ATOM 745 C GLU A 49 8.818 -15.629 93.255 1.00 0.00 C ATOM 746 O GLU A 49 9.136 -16.481 92.446 1.00 0.00 O ATOM 747 CB GLU A 49 8.371 -16.262 95.621 1.00 0.00 C ATOM 748 CG GLU A 49 7.370 -15.204 96.071 1.00 0.00 C ATOM 749 CD GLU A 49 6.257 -15.863 96.887 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.566 -16.444 97.914 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.113 -15.774 96.472 1.00 0.00 O ATOM 0 H GLU A 49 8.819 -13.689 95.380 1.00 0.00 H new ATOM 0 HA GLU A 49 10.319 -16.181 94.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.854 -17.080 95.120 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.881 -16.689 96.485 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.873 -14.445 96.670 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.947 -14.697 95.204 1.00 0.00 H new ATOM 758 N ILE A 50 7.953 -14.696 92.965 1.00 0.00 N ATOM 759 CA ILE A 50 7.322 -14.644 91.617 1.00 0.00 C ATOM 760 C ILE A 50 8.356 -14.387 90.531 1.00 0.00 C ATOM 761 O ILE A 50 8.263 -14.929 89.450 1.00 0.00 O ATOM 762 CB ILE A 50 6.282 -13.524 91.572 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.361 -13.631 92.817 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.495 -13.643 90.259 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.875 -13.558 92.441 1.00 0.00 C ATOM 0 H ILE A 50 7.655 -13.963 93.609 1.00 0.00 H new ATOM 0 HA ILE A 50 6.850 -15.610 91.437 1.00 0.00 H new ATOM 0 HB ILE A 50 6.757 -12.543 91.598 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.558 -14.570 93.334 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.599 -12.827 93.514 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.748 -12.851 90.210 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.179 -13.550 89.415 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.999 -14.613 90.219 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.267 -13.637 93.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.671 -12.608 91.948 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.630 -14.378 91.765 1.00 0.00 H new ATOM 777 N LEU A 51 9.325 -13.555 90.775 1.00 0.00 N ATOM 778 CA LEU A 51 10.307 -13.292 89.700 1.00 0.00 C ATOM 779 C LEU A 51 11.024 -14.599 89.331 1.00 0.00 C ATOM 780 O LEU A 51 11.043 -14.987 88.183 1.00 0.00 O ATOM 781 CB LEU A 51 11.323 -12.178 90.063 1.00 0.00 C ATOM 782 CG LEU A 51 11.484 -11.920 91.573 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.169 -11.455 92.218 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.007 -13.172 92.265 1.00 0.00 C ATOM 0 H LEU A 51 9.476 -13.057 91.652 1.00 0.00 H new ATOM 0 HA LEU A 51 9.757 -12.919 88.836 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.295 -12.443 89.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.012 -11.251 89.581 1.00 0.00 H new ATOM 0 HG LEU A 51 12.208 -11.114 91.698 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.327 -11.284 93.283 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.840 -10.529 91.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.406 -12.222 92.082 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.117 -12.979 93.332 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.304 -13.991 92.115 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.975 -13.443 91.844 1.00 0.00 H new ATOM 796 N GLU A 52 11.605 -15.290 90.272 1.00 0.00 N ATOM 797 CA GLU A 52 12.291 -16.572 89.923 1.00 0.00 C ATOM 798 C GLU A 52 11.292 -17.544 89.274 1.00 0.00 C ATOM 799 O GLU A 52 11.634 -18.290 88.382 1.00 0.00 O ATOM 800 CB GLU A 52 12.863 -17.276 91.174 1.00 0.00 C ATOM 801 CG GLU A 52 13.327 -16.283 92.242 1.00 0.00 C ATOM 802 CD GLU A 52 13.823 -17.072 93.457 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.482 -18.078 93.256 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.533 -16.657 94.568 1.00 0.00 O ATOM 0 H GLU A 52 11.637 -15.029 91.258 1.00 0.00 H new ATOM 0 HA GLU A 52 13.102 -16.319 89.241 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.103 -17.932 91.598 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.701 -17.908 90.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.124 -15.650 91.850 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.507 -15.624 92.528 1.00 0.00 H new ATOM 811 N PHE A 53 10.077 -17.573 89.763 1.00 0.00 N ATOM 812 CA PHE A 53 9.059 -18.541 89.243 1.00 0.00 C ATOM 813 C PHE A 53 8.917 -18.498 87.728 1.00 0.00 C ATOM 814 O PHE A 53 9.404 -19.357 87.032 1.00 0.00 O ATOM 815 CB PHE A 53 7.691 -18.215 89.839 1.00 0.00 C ATOM 816 CG PHE A 53 6.623 -18.885 89.001 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.698 -20.262 88.748 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.573 -18.132 88.461 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.724 -20.884 87.962 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.597 -18.757 87.674 1.00 0.00 C ATOM 821 CZ PHE A 53 4.674 -20.133 87.425 1.00 0.00 C ATOM 0 H PHE A 53 9.743 -16.962 90.508 1.00 0.00 H new ATOM 0 HA PHE A 53 9.405 -19.534 89.531 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.636 -18.563 90.870 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.535 -17.136 89.858 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.509 -20.843 89.161 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.516 -17.070 88.651 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.782 -21.945 87.769 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.785 -18.178 87.259 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.922 -20.614 86.818 1.00 0.00 H new ATOM 831 N LEU A 54 8.194 -17.550 87.217 1.00 0.00 N ATOM 832 CA LEU A 54 7.974 -17.520 85.749 1.00 0.00 C ATOM 833 C LEU A 54 9.321 -17.522 85.014 1.00 0.00 C ATOM 834 O LEU A 54 9.401 -17.875 83.855 1.00 0.00 O ATOM 835 CB LEU A 54 7.130 -16.294 85.355 1.00 0.00 C ATOM 836 CG LEU A 54 7.193 -15.210 86.428 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.645 -14.813 86.686 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.405 -13.988 85.941 1.00 0.00 C ATOM 0 H LEU A 54 7.748 -16.800 87.745 1.00 0.00 H new ATOM 0 HA LEU A 54 7.423 -18.414 85.456 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.489 -15.892 84.407 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.094 -16.597 85.201 1.00 0.00 H new ATOM 0 HG LEU A 54 6.762 -15.588 87.355 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.680 -14.039 87.453 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.206 -15.684 87.024 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.087 -14.432 85.765 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.442 -13.206 86.699 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.844 -13.617 85.015 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.368 -14.271 85.763 1.00 0.00 H new ATOM 850 N LEU A 55 10.381 -17.168 85.681 1.00 0.00 N ATOM 851 CA LEU A 55 11.720 -17.193 85.016 1.00 0.00 C ATOM 852 C LEU A 55 12.132 -18.661 84.820 1.00 0.00 C ATOM 853 O LEU A 55 12.806 -19.009 83.870 1.00 0.00 O ATOM 854 CB LEU A 55 12.743 -16.461 85.900 1.00 0.00 C ATOM 855 CG LEU A 55 13.855 -15.836 85.044 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.729 -14.943 85.929 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.724 -16.940 84.427 1.00 0.00 C ATOM 0 H LEU A 55 10.383 -16.863 86.654 1.00 0.00 H new ATOM 0 HA LEU A 55 11.679 -16.692 84.049 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.242 -15.684 86.477 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.178 -17.159 86.616 1.00 0.00 H new ATOM 0 HG LEU A 55 13.405 -15.245 84.246 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.520 -14.497 85.327 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.117 -14.154 86.367 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.173 -15.542 86.725 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.510 -16.489 83.822 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.174 -17.535 85.221 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.106 -17.582 83.799 1.00 0.00 H new ATOM 869 N LEU A 56 11.698 -19.527 85.704 1.00 0.00 N ATOM 870 CA LEU A 56 12.023 -20.980 85.572 1.00 0.00 C ATOM 871 C LEU A 56 11.565 -21.453 84.204 1.00 0.00 C ATOM 872 O LEU A 56 12.316 -22.015 83.432 1.00 0.00 O ATOM 873 CB LEU A 56 11.250 -21.809 86.609 1.00 0.00 C ATOM 874 CG LEU A 56 11.576 -21.379 88.038 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.930 -22.373 89.006 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.091 -21.376 88.252 1.00 0.00 C ATOM 0 H LEU A 56 11.129 -19.287 86.516 1.00 0.00 H new ATOM 0 HA LEU A 56 13.096 -21.107 85.717 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.179 -21.704 86.433 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.491 -22.864 86.483 1.00 0.00 H new ATOM 0 HG LEU A 56 11.192 -20.374 88.215 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.154 -22.080 90.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.850 -22.377 88.857 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.325 -23.372 88.820 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.314 -21.068 89.274 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.485 -22.378 88.081 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.556 -20.680 87.554 1.00 0.00 H new ATOM 888 N LYS A 57 10.320 -21.226 83.912 1.00 0.00 N ATOM 889 CA LYS A 57 9.770 -21.653 82.601 1.00 0.00 C ATOM 890 C LYS A 57 10.551 -20.927 81.509 1.00 0.00 C ATOM 891 O LYS A 57 11.694 -21.241 81.245 1.00 0.00 O ATOM 892 CB LYS A 57 8.280 -21.277 82.526 1.00 0.00 C ATOM 893 CG LYS A 57 7.424 -22.413 83.097 1.00 0.00 C ATOM 894 CD LYS A 57 7.690 -22.561 84.598 1.00 0.00 C ATOM 895 CE LYS A 57 6.825 -23.692 85.164 1.00 0.00 C ATOM 896 NZ LYS A 57 5.384 -23.361 84.977 1.00 0.00 N ATOM 0 H LYS A 57 9.655 -20.760 84.529 1.00 0.00 H new ATOM 0 HA LYS A 57 9.862 -22.732 82.474 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.100 -20.358 83.084 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.997 -21.082 81.492 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.368 -22.206 82.924 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.654 -23.347 82.584 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.745 -22.775 84.771 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.465 -21.626 85.111 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.061 -24.630 84.662 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.041 -23.834 86.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.799 -24.078 85.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.186 -22.426 85.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.160 -23.347 83.962 1.00 0.00 H new ATOM 910 N GLY A 58 9.966 -19.945 80.889 1.00 0.00 N ATOM 911 CA GLY A 58 10.707 -19.195 79.846 1.00 0.00 C ATOM 912 C GLY A 58 11.768 -18.343 80.542 1.00 0.00 C ATOM 913 O GLY A 58 12.511 -18.828 81.370 1.00 0.00 O ATOM 0 H GLY A 58 9.011 -19.631 81.059 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.173 -19.883 79.140 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.026 -18.564 79.274 1.00 0.00 H new ATOM 917 N ALA A 59 11.829 -17.077 80.239 1.00 0.00 N ATOM 918 CA ALA A 59 12.829 -16.200 80.908 1.00 0.00 C ATOM 919 C ALA A 59 12.701 -14.778 80.373 1.00 0.00 C ATOM 920 O ALA A 59 13.461 -14.346 79.530 1.00 0.00 O ATOM 921 CB ALA A 59 14.251 -16.720 80.663 1.00 0.00 C ATOM 0 H ALA A 59 11.230 -16.612 79.557 1.00 0.00 H new ATOM 0 HA ALA A 59 12.637 -16.205 81.981 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.968 -16.066 81.160 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.343 -17.730 81.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.454 -16.734 79.592 1.00 0.00 H new ATOM 927 N ASP A 60 11.757 -14.038 80.880 1.00 0.00 N ATOM 928 CA ASP A 60 11.597 -12.636 80.432 1.00 0.00 C ATOM 929 C ASP A 60 12.754 -11.847 81.033 1.00 0.00 C ATOM 930 O ASP A 60 12.852 -10.640 80.915 1.00 0.00 O ATOM 931 CB ASP A 60 10.259 -12.094 80.933 1.00 0.00 C ATOM 932 CG ASP A 60 9.930 -10.794 80.204 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.389 -9.756 80.649 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.224 -10.858 79.211 1.00 0.00 O ATOM 0 H ASP A 60 11.090 -14.348 81.587 1.00 0.00 H new ATOM 0 HA ASP A 60 11.606 -12.557 79.345 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.471 -12.828 80.763 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.305 -11.919 82.008 1.00 0.00 H new ATOM 939 N ILE A 61 13.636 -12.559 81.678 1.00 0.00 N ATOM 940 CA ILE A 61 14.825 -11.938 82.313 1.00 0.00 C ATOM 941 C ILE A 61 15.527 -11.033 81.312 1.00 0.00 C ATOM 942 O ILE A 61 16.235 -10.114 81.673 1.00 0.00 O ATOM 943 CB ILE A 61 15.782 -13.062 82.711 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.903 -12.506 83.590 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.382 -13.673 81.441 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.034 -13.535 83.703 1.00 0.00 C ATOM 0 H ILE A 61 13.578 -13.571 81.792 1.00 0.00 H new ATOM 0 HA ILE A 61 14.524 -11.351 83.181 1.00 0.00 H new ATOM 0 HB ILE A 61 15.239 -13.824 83.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.285 -11.578 83.165 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.516 -12.267 84.581 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.067 -14.476 81.712 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.583 -14.073 80.817 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.924 -12.905 80.889 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.830 -13.133 84.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.648 -14.452 84.149 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.429 -13.752 82.711 1.00 0.00 H new ATOM 958 N ASN A 62 15.351 -11.307 80.053 1.00 0.00 N ATOM 959 CA ASN A 62 16.029 -10.496 79.006 1.00 0.00 C ATOM 960 C ASN A 62 15.048 -10.136 77.879 1.00 0.00 C ATOM 961 O ASN A 62 15.168 -9.108 77.248 1.00 0.00 O ATOM 962 CB ASN A 62 17.196 -11.317 78.443 1.00 0.00 C ATOM 963 CG ASN A 62 16.712 -12.722 78.065 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.485 -13.078 78.340 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.459 -13.507 77.514 1.00 0.00 N flip ATOM 0 H ASN A 62 14.763 -12.062 79.701 1.00 0.00 H new ATOM 0 HA ASN A 62 16.395 -9.566 79.442 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.613 -10.819 77.568 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.994 -11.385 79.182 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.417 -13.233 77.298 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.127 -14.440 77.268 1.00 0.00 H new ATOM 972 N ALA A 63 14.083 -10.979 77.637 1.00 0.00 N ATOM 973 CA ALA A 63 13.062 -10.739 76.551 1.00 0.00 C ATOM 974 C ALA A 63 12.898 -9.252 76.154 1.00 0.00 C ATOM 975 O ALA A 63 13.025 -8.936 74.989 1.00 0.00 O ATOM 976 CB ALA A 63 11.711 -11.290 76.999 1.00 0.00 C ATOM 0 H ALA A 63 13.948 -11.848 78.154 1.00 0.00 H new ATOM 0 HA ALA A 63 13.431 -11.255 75.665 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.971 -11.119 76.217 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.799 -12.360 77.187 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.397 -10.785 77.913 1.00 0.00 H new ATOM 982 N PRO A 64 12.609 -8.383 77.105 1.00 0.00 N ATOM 983 CA PRO A 64 12.411 -6.950 76.859 1.00 0.00 C ATOM 984 C PRO A 64 12.936 -6.463 75.507 1.00 0.00 C ATOM 985 O PRO A 64 14.019 -6.794 75.070 1.00 0.00 O ATOM 986 CB PRO A 64 13.132 -6.335 78.056 1.00 0.00 C ATOM 987 CG PRO A 64 13.036 -7.405 79.189 1.00 0.00 C ATOM 988 CD PRO A 64 12.494 -8.694 78.535 1.00 0.00 C ATOM 0 HA PRO A 64 11.361 -6.668 76.784 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.171 -6.109 77.816 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.664 -5.398 78.359 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.013 -7.581 79.640 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.374 -7.067 79.986 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.082 -9.570 78.811 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.464 -8.897 78.827 1.00 0.00 H new ATOM 996 N ASP A 65 12.120 -5.672 74.850 1.00 0.00 N ATOM 997 CA ASP A 65 12.461 -5.115 73.510 1.00 0.00 C ATOM 998 C ASP A 65 12.108 -3.622 73.492 1.00 0.00 C ATOM 999 O ASP A 65 12.954 -2.775 73.272 1.00 0.00 O ATOM 1000 CB ASP A 65 11.633 -5.839 72.446 1.00 0.00 C ATOM 1001 CG ASP A 65 12.157 -7.264 72.267 1.00 0.00 C ATOM 1002 OD1 ASP A 65 11.715 -8.132 73.001 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.989 -7.463 71.397 1.00 0.00 O ATOM 0 H ASP A 65 11.207 -5.384 75.201 1.00 0.00 H new ATOM 0 HA ASP A 65 13.523 -5.249 73.306 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.584 -5.861 72.741 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.687 -5.300 71.500 1.00 0.00 H new ATOM 1008 N LYS A 66 10.861 -3.296 73.725 1.00 0.00 N ATOM 1009 CA LYS A 66 10.437 -1.876 73.730 1.00 0.00 C ATOM 1010 C LYS A 66 10.657 -1.289 75.129 1.00 0.00 C ATOM 1011 O LYS A 66 10.704 -0.090 75.313 1.00 0.00 O ATOM 1012 CB LYS A 66 8.961 -1.819 73.360 1.00 0.00 C ATOM 1013 CG LYS A 66 8.606 -0.420 72.875 1.00 0.00 C ATOM 1014 CD LYS A 66 9.309 -0.116 71.541 1.00 0.00 C ATOM 1015 CE LYS A 66 8.395 0.738 70.658 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.045 2.003 71.368 1.00 0.00 N ATOM 0 H LYS A 66 10.116 -3.966 73.913 1.00 0.00 H new ATOM 0 HA LYS A 66 11.018 -1.297 73.013 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.743 -2.550 72.582 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.350 -2.081 74.224 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.526 -0.335 72.751 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.900 0.316 73.623 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.247 0.408 71.724 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.558 -1.046 71.030 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.893 0.965 69.715 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.488 0.184 70.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.646 2.683 70.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.344 1.802 72.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.901 2.407 71.800 1.00 0.00 H new ATOM 1030 N HIS A 67 10.808 -2.136 76.111 1.00 0.00 N ATOM 1031 CA HIS A 67 11.045 -1.655 77.497 1.00 0.00 C ATOM 1032 C HIS A 67 12.517 -1.277 77.632 1.00 0.00 C ATOM 1033 O HIS A 67 12.967 -0.828 78.668 1.00 0.00 O ATOM 1034 CB HIS A 67 10.705 -2.780 78.477 1.00 0.00 C ATOM 1035 CG HIS A 67 9.527 -3.561 77.961 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.295 -4.877 78.327 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.503 -3.223 77.109 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.174 -5.281 77.703 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.651 -4.311 76.948 1.00 0.00 N ATOM 0 H HIS A 67 10.776 -3.150 76.008 1.00 0.00 H new ATOM 0 HA HIS A 67 10.422 -0.788 77.715 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.564 -3.439 78.602 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.477 -2.364 79.458 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.379 -2.260 76.637 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.749 -6.269 77.800 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.808 -4.358 76.376 1.00 0.00 H new ATOM 1047 N HIS A 68 13.262 -1.448 76.575 1.00 0.00 N ATOM 1048 CA HIS A 68 14.710 -1.100 76.594 1.00 0.00 C ATOM 1049 C HIS A 68 15.331 -1.439 77.946 1.00 0.00 C ATOM 1050 O HIS A 68 16.306 -0.835 78.348 1.00 0.00 O ATOM 1051 CB HIS A 68 14.871 0.398 76.334 1.00 0.00 C ATOM 1052 CG HIS A 68 14.338 1.175 77.510 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.964 1.165 78.747 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.238 1.983 77.654 1.00 0.00 C ATOM 1055 CE1 HIS A 68 14.243 1.945 79.573 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.180 2.469 78.957 1.00 0.00 N ATOM 0 H HIS A 68 12.924 -1.819 75.687 1.00 0.00 H new ATOM 0 HA HIS A 68 15.216 -1.677 75.820 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.922 0.638 76.172 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.336 0.679 75.427 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.816 0.658 78.987 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.525 2.208 76.874 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.493 2.125 80.608 1.00 0.00 H new ATOM 1064 N ILE A 69 14.800 -2.393 78.662 1.00 0.00 N ATOM 1065 CA ILE A 69 15.421 -2.708 79.971 1.00 0.00 C ATOM 1066 C ILE A 69 15.066 -4.112 80.444 1.00 0.00 C ATOM 1067 O ILE A 69 14.054 -4.689 80.086 1.00 0.00 O ATOM 1068 CB ILE A 69 14.977 -1.667 81.010 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.216 -1.072 81.686 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.064 -2.298 82.076 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.000 -2.158 82.432 1.00 0.00 C ATOM 0 H ILE A 69 13.986 -2.951 78.404 1.00 0.00 H new ATOM 0 HA ILE A 69 16.504 -2.672 79.851 1.00 0.00 H new ATOM 0 HB ILE A 69 14.414 -0.886 80.499 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.855 -0.604 80.937 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.916 -0.290 82.383 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.766 -1.537 82.797 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.176 -2.711 81.597 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.602 -3.094 82.590 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.876 -1.714 82.905 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.364 -2.607 83.195 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.318 -2.926 81.727 1.00 0.00 H new ATOM 1083 N THR A 70 15.916 -4.641 81.273 1.00 0.00 N ATOM 1084 CA THR A 70 15.710 -5.987 81.847 1.00 0.00 C ATOM 1085 C THR A 70 15.301 -5.780 83.316 1.00 0.00 C ATOM 1086 O THR A 70 15.428 -4.688 83.829 1.00 0.00 O ATOM 1087 CB THR A 70 17.013 -6.775 81.696 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.143 -7.708 82.749 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.186 -5.789 81.700 1.00 0.00 C ATOM 0 H THR A 70 16.770 -4.178 81.583 1.00 0.00 H new ATOM 0 HA THR A 70 14.930 -6.558 81.344 1.00 0.00 H new ATOM 0 HB THR A 70 17.006 -7.328 80.757 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.977 -8.612 82.408 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.122 -6.337 81.593 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.077 -5.091 80.870 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.194 -5.237 82.640 1.00 0.00 H new ATOM 1097 N PRO A 71 14.746 -6.781 83.937 1.00 0.00 N ATOM 1098 CA PRO A 71 14.230 -6.645 85.312 1.00 0.00 C ATOM 1099 C PRO A 71 15.325 -6.575 86.392 1.00 0.00 C ATOM 1100 O PRO A 71 15.042 -6.175 87.502 1.00 0.00 O ATOM 1101 CB PRO A 71 13.336 -7.887 85.492 1.00 0.00 C ATOM 1102 CG PRO A 71 13.351 -8.645 84.139 1.00 0.00 C ATOM 1103 CD PRO A 71 14.557 -8.121 83.365 1.00 0.00 C ATOM 0 HA PRO A 71 13.698 -5.702 85.438 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.711 -8.521 86.295 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.321 -7.597 85.762 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.429 -9.721 84.297 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.428 -8.470 83.586 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.435 -8.751 83.508 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.365 -8.081 82.293 1.00 0.00 H new ATOM 1111 N LEU A 72 16.556 -6.949 86.143 1.00 0.00 N ATOM 1112 CA LEU A 72 17.526 -6.842 87.270 1.00 0.00 C ATOM 1113 C LEU A 72 17.526 -5.395 87.762 1.00 0.00 C ATOM 1114 O LEU A 72 17.617 -5.142 88.946 1.00 0.00 O ATOM 1115 CB LEU A 72 18.981 -7.253 86.902 1.00 0.00 C ATOM 1116 CG LEU A 72 19.100 -8.113 85.630 1.00 0.00 C ATOM 1117 CD1 LEU A 72 18.008 -9.191 85.556 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.061 -7.220 84.389 1.00 0.00 C ATOM 0 H LEU A 72 16.916 -7.305 85.258 1.00 0.00 H new ATOM 0 HA LEU A 72 17.200 -7.542 88.039 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.578 -6.350 86.772 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.412 -7.803 87.739 1.00 0.00 H new ATOM 0 HG LEU A 72 20.058 -8.632 85.670 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.132 -9.772 84.642 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.089 -9.851 86.420 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.027 -8.716 85.553 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.146 -7.837 83.494 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.119 -6.672 84.364 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.891 -6.514 84.423 1.00 0.00 H new ATOM 1130 N LEU A 73 17.415 -4.442 86.873 1.00 0.00 N ATOM 1131 CA LEU A 73 17.401 -3.021 87.327 1.00 0.00 C ATOM 1132 C LEU A 73 16.057 -2.703 87.985 1.00 0.00 C ATOM 1133 O LEU A 73 15.942 -1.802 88.786 1.00 0.00 O ATOM 1134 CB LEU A 73 17.650 -2.080 86.150 1.00 0.00 C ATOM 1135 CG LEU A 73 18.996 -2.438 85.505 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.804 -3.555 84.470 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.590 -1.201 84.827 1.00 0.00 C ATOM 0 H LEU A 73 17.335 -4.583 85.866 1.00 0.00 H new ATOM 0 HA LEU A 73 18.199 -2.876 88.055 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.846 -2.169 85.419 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.658 -1.044 86.490 1.00 0.00 H new ATOM 0 HG LEU A 73 19.679 -2.787 86.280 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.765 -3.802 84.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.396 -4.439 84.960 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.115 -3.219 83.696 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.545 -1.460 84.371 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.905 -0.844 84.058 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.743 -0.417 85.569 1.00 0.00 H new ATOM 1149 N SER A 74 15.034 -3.437 87.665 1.00 0.00 N ATOM 1150 CA SER A 74 13.724 -3.160 88.302 1.00 0.00 C ATOM 1151 C SER A 74 13.869 -3.303 89.825 1.00 0.00 C ATOM 1152 O SER A 74 13.437 -2.456 90.590 1.00 0.00 O ATOM 1153 CB SER A 74 12.672 -4.135 87.767 1.00 0.00 C ATOM 1154 OG SER A 74 11.602 -4.231 88.696 1.00 0.00 O ATOM 0 H SER A 74 15.047 -4.208 86.998 1.00 0.00 H new ATOM 0 HA SER A 74 13.402 -2.145 88.067 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.300 -3.792 86.801 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.118 -5.117 87.607 1.00 0.00 H new ATOM 0 HG SER A 74 10.765 -3.968 88.259 1.00 0.00 H new ATOM 1160 N ALA A 75 14.489 -4.362 90.275 1.00 0.00 N ATOM 1161 CA ALA A 75 14.668 -4.548 91.750 1.00 0.00 C ATOM 1162 C ALA A 75 15.709 -3.552 92.273 1.00 0.00 C ATOM 1163 O ALA A 75 15.635 -3.092 93.396 1.00 0.00 O ATOM 1164 CB ALA A 75 15.120 -5.981 92.037 1.00 0.00 C ATOM 0 H ALA A 75 14.878 -5.103 89.692 1.00 0.00 H new ATOM 0 HA ALA A 75 13.720 -4.368 92.256 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.249 -6.113 93.111 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.367 -6.680 91.673 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.066 -6.172 91.531 1.00 0.00 H new ATOM 1170 N VAL A 76 16.674 -3.213 91.462 1.00 0.00 N ATOM 1171 CA VAL A 76 17.723 -2.245 91.890 1.00 0.00 C ATOM 1172 C VAL A 76 17.066 -1.079 92.638 1.00 0.00 C ATOM 1173 O VAL A 76 17.214 -0.937 93.836 1.00 0.00 O ATOM 1174 CB VAL A 76 18.457 -1.753 90.632 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.125 -0.387 90.865 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.520 -2.789 90.242 1.00 0.00 C ATOM 0 H VAL A 76 16.781 -3.569 90.512 1.00 0.00 H new ATOM 0 HA VAL A 76 18.438 -2.716 92.565 1.00 0.00 H new ATOM 0 HB VAL A 76 17.729 -1.633 89.830 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.634 -0.071 89.955 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.366 0.349 91.130 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.849 -0.470 91.676 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.048 -2.451 89.350 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.230 -2.908 91.061 1.00 0.00 H new ATOM 0 HG23 VAL A 76 19.038 -3.745 90.038 1.00 0.00 H new ATOM 1186 N TYR A 77 16.338 -0.249 91.946 1.00 0.00 N ATOM 1187 CA TYR A 77 15.670 0.896 92.625 1.00 0.00 C ATOM 1188 C TYR A 77 14.479 0.372 93.440 1.00 0.00 C ATOM 1189 O TYR A 77 13.377 0.873 93.332 1.00 0.00 O ATOM 1190 CB TYR A 77 15.169 1.896 91.573 1.00 0.00 C ATOM 1191 CG TYR A 77 15.941 1.734 90.278 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.485 0.843 89.295 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.097 2.489 90.051 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.187 0.711 88.087 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.797 2.353 88.845 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.342 1.467 87.863 1.00 0.00 C ATOM 1197 OH TYR A 77 18.036 1.338 86.674 1.00 0.00 O ATOM 0 H TYR A 77 16.176 -0.313 90.941 1.00 0.00 H new ATOM 0 HA TYR A 77 16.379 1.394 93.287 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.106 1.740 91.392 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.283 2.914 91.946 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.593 0.258 89.468 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.450 3.177 90.805 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.835 0.025 87.330 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.691 2.934 88.673 1.00 0.00 H new ATOM 0 HH TYR A 77 18.201 2.226 86.293 1.00 0.00 H new ATOM 1207 N GLU A 78 14.687 -0.636 94.248 1.00 0.00 N ATOM 1208 CA GLU A 78 13.557 -1.191 95.057 1.00 0.00 C ATOM 1209 C GLU A 78 13.989 -1.411 96.505 1.00 0.00 C ATOM 1210 O GLU A 78 13.172 -1.449 97.403 1.00 0.00 O ATOM 1211 CB GLU A 78 13.135 -2.541 94.469 1.00 0.00 C ATOM 1212 CG GLU A 78 11.713 -2.877 94.916 1.00 0.00 C ATOM 1213 CD GLU A 78 10.738 -1.906 94.256 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.134 -1.269 93.295 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.617 -1.808 94.726 1.00 0.00 O ATOM 0 H GLU A 78 15.586 -1.098 94.383 1.00 0.00 H new ATOM 0 HA GLU A 78 12.730 -0.481 95.031 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.185 -2.506 93.381 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.823 -3.321 94.795 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.465 -3.903 94.642 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.634 -2.809 96.001 1.00 0.00 H new ATOM 1222 N GLY A 79 15.253 -1.603 96.744 1.00 0.00 N ATOM 1223 CA GLY A 79 15.697 -1.875 98.137 1.00 0.00 C ATOM 1224 C GLY A 79 15.475 -3.362 98.395 1.00 0.00 C ATOM 1225 O GLY A 79 15.837 -3.893 99.427 1.00 0.00 O ATOM 0 H GLY A 79 15.993 -1.584 96.042 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.748 -1.614 98.264 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.131 -1.272 98.847 1.00 0.00 H new ATOM 1229 N HIS A 80 14.893 -4.044 97.440 1.00 0.00 N ATOM 1230 CA HIS A 80 14.657 -5.498 97.604 1.00 0.00 C ATOM 1231 C HIS A 80 15.978 -6.207 97.344 1.00 0.00 C ATOM 1232 O HIS A 80 16.466 -6.942 98.176 1.00 0.00 O ATOM 1233 CB HIS A 80 13.596 -5.966 96.593 1.00 0.00 C ATOM 1234 CG HIS A 80 12.226 -5.837 97.209 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.301 -6.872 97.197 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.614 -4.801 97.869 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.199 -6.440 97.830 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.333 -5.184 98.261 1.00 0.00 N ATOM 0 H HIS A 80 14.573 -3.650 96.555 1.00 0.00 H new ATOM 0 HA HIS A 80 14.296 -5.723 98.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.656 -5.368 95.684 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.782 -7.001 96.307 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.058 -3.835 98.056 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.311 -7.037 97.973 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.646 -4.625 98.768 1.00 0.00 H new ATOM 1246 N VAL A 81 16.571 -5.957 96.203 1.00 0.00 N ATOM 1247 CA VAL A 81 17.884 -6.578 95.867 1.00 0.00 C ATOM 1248 C VAL A 81 17.985 -7.998 96.432 1.00 0.00 C ATOM 1249 O VAL A 81 19.043 -8.602 96.463 1.00 0.00 O ATOM 1250 CB VAL A 81 19.011 -5.666 96.377 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.319 -4.610 95.306 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.553 -4.944 97.653 1.00 0.00 C ATOM 0 H VAL A 81 16.194 -5.341 95.483 1.00 0.00 H new ATOM 0 HA VAL A 81 17.979 -6.675 94.785 1.00 0.00 H new ATOM 0 HB VAL A 81 19.895 -6.267 96.589 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.118 -3.957 95.658 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.633 -5.105 94.387 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.425 -4.017 95.112 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.354 -4.298 98.013 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.671 -4.342 97.434 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.308 -5.680 98.419 1.00 0.00 H new ATOM 1262 N SER A 82 16.873 -8.561 96.815 1.00 0.00 N ATOM 1263 CA SER A 82 16.867 -9.963 97.297 1.00 0.00 C ATOM 1264 C SER A 82 16.733 -10.826 96.046 1.00 0.00 C ATOM 1265 O SER A 82 17.163 -11.961 95.984 1.00 0.00 O ATOM 1266 CB SER A 82 15.674 -10.186 98.233 1.00 0.00 C ATOM 1267 OG SER A 82 16.107 -10.057 99.581 1.00 0.00 O ATOM 0 H SER A 82 15.962 -8.102 96.813 1.00 0.00 H new ATOM 0 HA SER A 82 17.770 -10.209 97.856 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.889 -9.461 98.020 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.247 -11.175 98.069 1.00 0.00 H new ATOM 0 HG SER A 82 15.347 -10.197 100.184 1.00 0.00 H new ATOM 1273 N CYS A 83 16.131 -10.248 95.040 1.00 0.00 N ATOM 1274 CA CYS A 83 15.930 -10.947 93.743 1.00 0.00 C ATOM 1275 C CYS A 83 17.200 -10.804 92.900 1.00 0.00 C ATOM 1276 O CYS A 83 17.655 -11.745 92.283 1.00 0.00 O ATOM 1277 CB CYS A 83 14.746 -10.297 93.015 1.00 0.00 C ATOM 1278 SG CYS A 83 14.511 -8.607 93.628 1.00 0.00 S ATOM 0 H CYS A 83 15.763 -9.297 95.067 1.00 0.00 H new ATOM 0 HA CYS A 83 15.723 -12.005 93.907 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.930 -10.283 91.941 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.841 -10.883 93.176 1.00 0.00 H new ATOM 0 HG CYS A 83 13.391 -8.131 93.170 1.00 0.00 H new ATOM 1284 N VAL A 84 17.783 -9.635 92.875 1.00 0.00 N ATOM 1285 CA VAL A 84 19.033 -9.448 92.081 1.00 0.00 C ATOM 1286 C VAL A 84 19.994 -10.586 92.416 1.00 0.00 C ATOM 1287 O VAL A 84 20.662 -11.130 91.564 1.00 0.00 O ATOM 1288 CB VAL A 84 19.702 -8.128 92.467 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.740 -6.964 92.231 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.097 -8.183 93.942 1.00 0.00 C ATOM 0 H VAL A 84 17.450 -8.806 93.367 1.00 0.00 H new ATOM 0 HA VAL A 84 18.790 -9.440 91.018 1.00 0.00 H new ATOM 0 HB VAL A 84 20.590 -7.977 91.853 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.226 -6.029 92.509 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.462 -6.930 91.178 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.845 -7.103 92.838 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.575 -7.245 94.226 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.206 -8.335 94.552 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.792 -9.007 94.102 1.00 0.00 H new ATOM 1300 N LYS A 85 20.072 -10.928 93.671 1.00 0.00 N ATOM 1301 CA LYS A 85 20.993 -12.009 94.109 1.00 0.00 C ATOM 1302 C LYS A 85 20.769 -13.294 93.284 1.00 0.00 C ATOM 1303 O LYS A 85 21.589 -13.659 92.459 1.00 0.00 O ATOM 1304 CB LYS A 85 20.742 -12.280 95.603 1.00 0.00 C ATOM 1305 CG LYS A 85 22.030 -12.059 96.409 1.00 0.00 C ATOM 1306 CD LYS A 85 22.301 -10.556 96.553 1.00 0.00 C ATOM 1307 CE LYS A 85 23.752 -10.334 96.991 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.673 -10.844 95.936 1.00 0.00 N ATOM 0 H LYS A 85 19.529 -10.498 94.420 1.00 0.00 H new ATOM 0 HA LYS A 85 22.025 -11.696 93.952 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.956 -11.621 95.972 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.390 -13.303 95.740 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.937 -12.517 97.394 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.870 -12.543 95.910 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.115 -10.051 95.605 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.619 -10.122 97.285 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.932 -9.273 97.164 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.941 -10.848 97.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.553 -10.289 95.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.892 -11.844 96.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.218 -10.756 95.005 1.00 0.00 H new ATOM 1322 N LEU A 86 19.685 -13.998 93.512 1.00 0.00 N ATOM 1323 CA LEU A 86 19.447 -15.269 92.748 1.00 0.00 C ATOM 1324 C LEU A 86 19.287 -14.981 91.249 1.00 0.00 C ATOM 1325 O LEU A 86 19.187 -15.881 90.442 1.00 0.00 O ATOM 1326 CB LEU A 86 18.231 -16.023 93.335 1.00 0.00 C ATOM 1327 CG LEU A 86 16.908 -15.704 92.614 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.706 -14.193 92.474 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.862 -16.376 91.230 1.00 0.00 C ATOM 0 H LEU A 86 18.960 -13.752 94.187 1.00 0.00 H new ATOM 0 HA LEU A 86 20.316 -15.918 92.853 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.417 -17.096 93.280 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.131 -15.770 94.391 1.00 0.00 H new ATOM 0 HG LEU A 86 16.096 -16.104 93.222 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.764 -13.998 91.961 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.682 -13.736 93.463 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.528 -13.768 91.898 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.918 -16.136 90.740 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.690 -16.012 90.621 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.946 -17.456 91.347 1.00 0.00 H new ATOM 1341 N LEU A 87 19.275 -13.735 90.864 1.00 0.00 N ATOM 1342 CA LEU A 87 19.111 -13.403 89.418 1.00 0.00 C ATOM 1343 C LEU A 87 20.389 -13.719 88.631 1.00 0.00 C ATOM 1344 O LEU A 87 20.462 -14.719 87.942 1.00 0.00 O ATOM 1345 CB LEU A 87 18.790 -11.913 89.284 1.00 0.00 C ATOM 1346 CG LEU A 87 17.420 -11.731 88.636 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.072 -10.241 88.602 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.442 -12.284 87.207 1.00 0.00 C ATOM 0 H LEU A 87 19.371 -12.932 91.486 1.00 0.00 H new ATOM 0 HA LEU A 87 18.300 -14.006 89.011 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.803 -11.440 90.266 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.554 -11.420 88.683 1.00 0.00 H new ATOM 0 HG LEU A 87 16.671 -12.271 89.216 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.094 -10.106 88.140 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.050 -9.849 89.619 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.824 -9.705 88.023 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.461 -12.151 86.750 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.190 -11.750 86.622 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.690 -13.345 87.231 1.00 0.00 H new ATOM 1360 N LEU A 88 21.386 -12.868 88.685 1.00 0.00 N ATOM 1361 CA LEU A 88 22.613 -13.149 87.889 1.00 0.00 C ATOM 1362 C LEU A 88 23.120 -14.552 88.196 1.00 0.00 C ATOM 1363 O LEU A 88 23.937 -15.098 87.481 1.00 0.00 O ATOM 1364 CB LEU A 88 23.711 -12.097 88.133 1.00 0.00 C ATOM 1365 CG LEU A 88 24.357 -12.229 89.522 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.279 -12.340 90.596 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.277 -13.461 89.575 1.00 0.00 C ATOM 0 H LEU A 88 21.401 -12.009 89.235 1.00 0.00 H new ATOM 0 HA LEU A 88 22.351 -13.091 86.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.481 -12.196 87.367 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.284 -11.100 88.028 1.00 0.00 H new ATOM 0 HG LEU A 88 24.955 -11.337 89.709 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.749 -12.433 91.575 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.653 -11.448 90.577 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.663 -13.219 90.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.725 -13.538 90.566 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.695 -14.359 89.369 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.064 -13.360 88.828 1.00 0.00 H new ATOM 1379 N SER A 89 22.619 -15.160 89.230 1.00 0.00 N ATOM 1380 CA SER A 89 23.049 -16.546 89.540 1.00 0.00 C ATOM 1381 C SER A 89 22.726 -17.399 88.314 1.00 0.00 C ATOM 1382 O SER A 89 23.169 -18.523 88.174 1.00 0.00 O ATOM 1383 CB SER A 89 22.278 -17.065 90.753 1.00 0.00 C ATOM 1384 OG SER A 89 22.953 -18.193 91.293 1.00 0.00 O ATOM 0 H SER A 89 21.934 -14.760 89.871 1.00 0.00 H new ATOM 0 HA SER A 89 24.114 -16.584 89.770 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.194 -16.282 91.507 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.263 -17.339 90.463 1.00 0.00 H new ATOM 0 HG SER A 89 22.461 -18.527 92.072 1.00 0.00 H new ATOM 1390 N LYS A 90 21.952 -16.840 87.416 1.00 0.00 N ATOM 1391 CA LYS A 90 21.574 -17.560 86.168 1.00 0.00 C ATOM 1392 C LYS A 90 22.292 -16.903 84.993 1.00 0.00 C ATOM 1393 O LYS A 90 22.630 -17.539 84.014 1.00 0.00 O ATOM 1394 CB LYS A 90 20.058 -17.429 85.958 1.00 0.00 C ATOM 1395 CG LYS A 90 19.320 -17.774 87.265 1.00 0.00 C ATOM 1396 CD LYS A 90 18.297 -18.889 87.019 1.00 0.00 C ATOM 1397 CE LYS A 90 17.078 -18.321 86.281 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.022 -17.957 87.269 1.00 0.00 N ATOM 0 H LYS A 90 21.562 -15.901 87.500 1.00 0.00 H new ATOM 0 HA LYS A 90 21.850 -18.612 86.241 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.811 -16.414 85.647 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.733 -18.095 85.159 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.037 -18.089 88.023 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.817 -16.888 87.651 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.750 -19.688 86.431 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.988 -19.327 87.968 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.367 -17.444 85.702 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.692 -19.056 85.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.084 -18.080 86.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.101 -18.572 88.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.143 -16.965 87.557 1.00 0.00 H new ATOM 1412 N GLY A 91 22.530 -15.628 85.101 1.00 0.00 N ATOM 1413 CA GLY A 91 23.222 -14.883 84.017 1.00 0.00 C ATOM 1414 C GLY A 91 22.688 -13.452 83.975 1.00 0.00 C ATOM 1415 O GLY A 91 23.179 -12.574 84.659 1.00 0.00 O ATOM 0 H GLY A 91 22.270 -15.062 85.908 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.298 -14.878 84.192 1.00 0.00 H new ATOM 0 HA3 GLY A 91 23.057 -15.374 83.058 1.00 0.00 H new ATOM 1419 N ALA A 92 21.676 -13.212 83.187 1.00 0.00 N ATOM 1420 CA ALA A 92 21.101 -11.838 83.106 1.00 0.00 C ATOM 1421 C ALA A 92 22.219 -10.808 82.960 1.00 0.00 C ATOM 1422 O ALA A 92 21.985 -9.622 83.068 1.00 0.00 O ATOM 1423 CB ALA A 92 20.327 -11.547 84.399 1.00 0.00 C ATOM 0 H ALA A 92 21.222 -13.908 82.595 1.00 0.00 H new ATOM 0 HA ALA A 92 20.440 -11.776 82.242 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.902 -10.544 84.351 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.525 -12.276 84.515 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.004 -11.614 85.251 1.00 0.00 H new ATOM 1429 N ASP A 93 23.430 -11.241 82.726 1.00 0.00 N ATOM 1430 CA ASP A 93 24.551 -10.265 82.600 1.00 0.00 C ATOM 1431 C ASP A 93 24.314 -9.124 83.588 1.00 0.00 C ATOM 1432 O ASP A 93 24.188 -9.338 84.778 1.00 0.00 O ATOM 1433 CB ASP A 93 24.596 -9.716 81.170 1.00 0.00 C ATOM 1434 CG ASP A 93 25.856 -8.868 80.983 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.933 -9.441 80.949 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.722 -7.661 80.873 1.00 0.00 O ATOM 0 H ASP A 93 23.690 -12.221 82.617 1.00 0.00 H new ATOM 0 HA ASP A 93 25.501 -10.753 82.819 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.590 -10.538 80.454 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.709 -9.115 80.973 1.00 0.00 H new ATOM 1441 N LYS A 94 24.236 -7.921 83.112 1.00 0.00 N ATOM 1442 CA LYS A 94 23.984 -6.781 84.027 1.00 0.00 C ATOM 1443 C LYS A 94 23.589 -5.570 83.190 1.00 0.00 C ATOM 1444 O LYS A 94 22.697 -4.820 83.531 1.00 0.00 O ATOM 1445 CB LYS A 94 25.248 -6.481 84.835 1.00 0.00 C ATOM 1446 CG LYS A 94 25.047 -5.217 85.674 1.00 0.00 C ATOM 1447 CD LYS A 94 23.918 -5.428 86.708 1.00 0.00 C ATOM 1448 CE LYS A 94 22.617 -4.755 86.235 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.827 -4.317 87.416 1.00 0.00 N ATOM 0 H LYS A 94 24.336 -7.675 82.127 1.00 0.00 H new ATOM 0 HA LYS A 94 23.180 -7.023 84.723 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.483 -7.324 85.484 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.096 -6.350 84.163 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.975 -4.962 86.186 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.801 -4.377 85.024 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.749 -6.494 86.857 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.218 -5.015 87.671 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.848 -3.899 85.601 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.034 -5.451 85.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.812 -4.392 87.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.055 -4.923 88.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.061 -3.329 87.643 1.00 0.00 H new ATOM 1463 N THR A 95 24.252 -5.385 82.087 1.00 0.00 N ATOM 1464 CA THR A 95 23.939 -4.239 81.195 1.00 0.00 C ATOM 1465 C THR A 95 23.669 -4.791 79.795 1.00 0.00 C ATOM 1466 O THR A 95 24.166 -4.295 78.804 1.00 0.00 O ATOM 1467 CB THR A 95 25.141 -3.281 81.181 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.044 -3.660 82.208 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.674 -1.846 81.427 1.00 0.00 C ATOM 0 H THR A 95 25.008 -5.987 81.761 1.00 0.00 H new ATOM 0 HA THR A 95 23.063 -3.692 81.543 1.00 0.00 H new ATOM 0 HB THR A 95 25.632 -3.333 80.209 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.815 -3.055 82.205 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.534 -1.176 81.415 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.974 -1.552 80.645 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.180 -1.785 82.397 1.00 0.00 H new ATOM 1477 N VAL A 96 22.885 -5.833 79.719 1.00 0.00 N ATOM 1478 CA VAL A 96 22.573 -6.453 78.407 1.00 0.00 C ATOM 1479 C VAL A 96 21.474 -5.642 77.709 1.00 0.00 C ATOM 1480 O VAL A 96 21.169 -5.869 76.555 1.00 0.00 O ATOM 1481 CB VAL A 96 22.124 -7.915 78.646 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.896 -8.268 77.799 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.266 -8.870 78.283 1.00 0.00 C ATOM 0 H VAL A 96 22.445 -6.283 80.521 1.00 0.00 H new ATOM 0 HA VAL A 96 23.452 -6.455 77.763 1.00 0.00 H new ATOM 0 HB VAL A 96 21.863 -8.017 79.699 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.607 -9.301 77.991 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.071 -7.606 78.061 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.136 -8.148 76.743 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.948 -9.899 78.452 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.530 -8.740 77.233 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.134 -8.652 78.905 1.00 0.00 H new ATOM 1493 N LYS A 97 20.881 -4.686 78.388 1.00 0.00 N ATOM 1494 CA LYS A 97 19.815 -3.876 77.724 1.00 0.00 C ATOM 1495 C LYS A 97 19.615 -2.507 78.411 1.00 0.00 C ATOM 1496 O LYS A 97 18.836 -1.701 77.941 1.00 0.00 O ATOM 1497 CB LYS A 97 18.492 -4.659 77.740 1.00 0.00 C ATOM 1498 CG LYS A 97 18.265 -5.322 76.375 1.00 0.00 C ATOM 1499 CD LYS A 97 16.811 -5.792 76.257 1.00 0.00 C ATOM 1500 CE LYS A 97 15.937 -4.649 75.728 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.057 -4.571 74.244 1.00 0.00 N ATOM 0 H LYS A 97 21.086 -4.437 79.356 1.00 0.00 H new ATOM 0 HA LYS A 97 20.131 -3.688 76.698 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.517 -5.417 78.523 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.664 -3.988 77.971 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.494 -4.617 75.576 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.941 -6.169 76.256 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.750 -6.649 75.587 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.446 -6.121 77.230 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.897 -4.813 76.010 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.245 -3.705 76.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.450 -3.806 73.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.046 -4.378 73.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.759 -5.474 73.824 1.00 0.00 H new ATOM 1515 N GLY A 98 20.304 -2.207 79.488 1.00 0.00 N ATOM 1516 CA GLY A 98 20.117 -0.864 80.119 1.00 0.00 C ATOM 1517 C GLY A 98 20.769 0.176 79.207 1.00 0.00 C ATOM 1518 O GLY A 98 21.418 -0.186 78.247 1.00 0.00 O ATOM 0 H GLY A 98 20.975 -2.822 79.949 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.057 -0.647 80.249 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.571 -0.841 81.110 1.00 0.00 H new ATOM 1522 N PRO A 99 20.605 1.435 79.525 1.00 0.00 N ATOM 1523 CA PRO A 99 21.208 2.505 78.720 1.00 0.00 C ATOM 1524 C PRO A 99 22.688 2.215 78.559 1.00 0.00 C ATOM 1525 O PRO A 99 23.132 1.721 77.542 1.00 0.00 O ATOM 1526 CB PRO A 99 20.970 3.792 79.527 1.00 0.00 C ATOM 1527 CG PRO A 99 20.166 3.400 80.795 1.00 0.00 C ATOM 1528 CD PRO A 99 19.837 1.896 80.695 1.00 0.00 C ATOM 0 HA PRO A 99 20.783 2.591 77.720 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.918 4.255 79.801 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.419 4.522 78.933 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.746 3.606 81.695 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.251 3.988 80.865 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.131 1.363 81.599 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.768 1.730 80.560 1.00 0.00 H new ATOM 1536 N ASP A 100 23.447 2.502 79.564 1.00 0.00 N ATOM 1537 CA ASP A 100 24.899 2.229 79.497 1.00 0.00 C ATOM 1538 C ASP A 100 25.361 1.743 80.866 1.00 0.00 C ATOM 1539 O ASP A 100 24.722 0.925 81.502 1.00 0.00 O ATOM 1540 CB ASP A 100 25.646 3.510 79.115 1.00 0.00 C ATOM 1541 CG ASP A 100 27.086 3.168 78.728 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.380 1.992 78.592 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.872 4.090 78.574 1.00 0.00 O ATOM 0 H ASP A 100 23.123 2.918 80.438 1.00 0.00 H new ATOM 0 HA ASP A 100 25.106 1.468 78.745 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.142 4.002 78.283 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.640 4.210 79.951 1.00 0.00 H new ATOM 1548 N GLY A 101 26.460 2.246 81.325 1.00 0.00 N ATOM 1549 CA GLY A 101 26.980 1.822 82.653 1.00 0.00 C ATOM 1550 C GLY A 101 25.934 2.095 83.743 1.00 0.00 C ATOM 1551 O GLY A 101 26.182 1.878 84.920 1.00 0.00 O ATOM 0 H GLY A 101 27.029 2.938 80.838 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.227 0.760 82.633 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.901 2.359 82.880 1.00 0.00 H new ATOM 1555 N LEU A 102 24.756 2.544 83.379 1.00 0.00 N ATOM 1556 CA LEU A 102 23.730 2.801 84.426 1.00 0.00 C ATOM 1557 C LEU A 102 23.651 1.591 85.308 1.00 0.00 C ATOM 1558 O LEU A 102 24.003 1.649 86.468 1.00 0.00 O ATOM 1559 CB LEU A 102 22.352 3.060 83.797 1.00 0.00 C ATOM 1560 CG LEU A 102 21.297 3.471 84.857 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.939 3.618 84.179 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.161 2.415 85.964 1.00 0.00 C ATOM 0 H LEU A 102 24.469 2.739 82.420 1.00 0.00 H new ATOM 0 HA LEU A 102 24.013 3.685 84.998 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.438 3.846 83.047 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.015 2.162 83.280 1.00 0.00 H new ATOM 0 HG LEU A 102 21.625 4.410 85.304 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.192 3.907 84.919 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.999 4.384 83.406 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.653 2.668 83.727 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.413 2.740 86.687 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.854 1.466 85.525 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.120 2.289 86.466 1.00 0.00 H new ATOM 1574 N THR A 103 23.169 0.496 84.789 1.00 0.00 N ATOM 1575 CA THR A 103 23.039 -0.705 85.642 1.00 0.00 C ATOM 1576 C THR A 103 23.003 -0.245 87.096 1.00 0.00 C ATOM 1577 O THR A 103 22.063 0.386 87.556 1.00 0.00 O ATOM 1578 CB THR A 103 24.232 -1.647 85.432 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.350 -2.503 86.561 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.522 -0.843 85.268 1.00 0.00 C ATOM 0 H THR A 103 22.864 0.386 83.822 1.00 0.00 H new ATOM 0 HA THR A 103 22.129 -1.246 85.383 1.00 0.00 H new ATOM 0 HB THR A 103 24.068 -2.236 84.530 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.292 -2.735 86.699 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.359 -1.525 85.120 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.433 -0.185 84.404 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.695 -0.245 86.163 1.00 0.00 H new ATOM 1588 N ALA A 104 24.029 -0.536 87.817 1.00 0.00 N ATOM 1589 CA ALA A 104 24.084 -0.126 89.243 1.00 0.00 C ATOM 1590 C ALA A 104 24.812 1.223 89.405 1.00 0.00 C ATOM 1591 O ALA A 104 24.590 1.936 90.361 1.00 0.00 O ATOM 1592 CB ALA A 104 24.832 -1.206 90.021 1.00 0.00 C ATOM 0 H ALA A 104 24.846 -1.047 87.483 1.00 0.00 H new ATOM 0 HA ALA A 104 23.069 -0.007 89.622 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.885 -0.926 91.073 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.305 -2.155 89.924 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.841 -1.309 89.622 1.00 0.00 H new ATOM 1598 N LEU A 105 25.708 1.556 88.511 1.00 0.00 N ATOM 1599 CA LEU A 105 26.481 2.820 88.659 1.00 0.00 C ATOM 1600 C LEU A 105 25.582 4.049 88.802 1.00 0.00 C ATOM 1601 O LEU A 105 25.551 4.685 89.838 1.00 0.00 O ATOM 1602 CB LEU A 105 27.353 3.031 87.430 1.00 0.00 C ATOM 1603 CG LEU A 105 28.108 1.754 87.074 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.083 2.067 85.938 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.887 1.250 88.293 1.00 0.00 C ATOM 0 H LEU A 105 25.936 1.004 87.684 1.00 0.00 H new ATOM 0 HA LEU A 105 27.076 2.716 89.566 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.733 3.339 86.588 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.062 3.838 87.616 1.00 0.00 H new ATOM 0 HG LEU A 105 27.403 0.982 86.764 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.632 1.164 85.670 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.528 2.425 85.071 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.785 2.835 86.262 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.423 0.338 88.031 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.600 2.012 88.610 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.193 1.041 89.107 1.00 0.00 H new ATOM 1617 N GLU A 106 24.896 4.423 87.760 1.00 0.00 N ATOM 1618 CA GLU A 106 24.062 5.643 87.828 1.00 0.00 C ATOM 1619 C GLU A 106 22.736 5.346 88.528 1.00 0.00 C ATOM 1620 O GLU A 106 21.897 6.214 88.674 1.00 0.00 O ATOM 1621 CB GLU A 106 23.792 6.138 86.405 1.00 0.00 C ATOM 1622 CG GLU A 106 25.105 6.210 85.620 1.00 0.00 C ATOM 1623 CD GLU A 106 25.958 7.362 86.155 1.00 0.00 C ATOM 1624 OE1 GLU A 106 25.383 8.322 86.640 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.171 7.266 86.067 1.00 0.00 O ATOM 0 H GLU A 106 24.880 3.933 86.865 1.00 0.00 H new ATOM 0 HA GLU A 106 24.590 6.408 88.397 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.095 5.467 85.903 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.322 7.121 86.436 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.648 5.269 85.711 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.899 6.358 84.560 1.00 0.00 H new ATOM 1632 N ALA A 107 22.529 4.132 88.958 1.00 0.00 N ATOM 1633 CA ALA A 107 21.243 3.813 89.638 1.00 0.00 C ATOM 1634 C ALA A 107 21.230 4.281 91.099 1.00 0.00 C ATOM 1635 O ALA A 107 20.238 4.805 91.567 1.00 0.00 O ATOM 1636 CB ALA A 107 21.014 2.306 89.624 1.00 0.00 C ATOM 0 H ALA A 107 23.185 3.356 88.870 1.00 0.00 H new ATOM 0 HA ALA A 107 20.456 4.337 89.095 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.072 2.076 90.122 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.974 1.954 88.593 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.831 1.809 90.146 1.00 0.00 H new ATOM 1642 N THR A 108 22.269 4.052 91.858 1.00 0.00 N ATOM 1643 CA THR A 108 22.195 4.449 93.290 1.00 0.00 C ATOM 1644 C THR A 108 23.571 4.634 93.933 1.00 0.00 C ATOM 1645 O THR A 108 24.567 4.901 93.290 1.00 0.00 O ATOM 1646 CB THR A 108 21.498 3.314 94.027 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.357 3.647 95.401 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.350 2.049 93.885 1.00 0.00 C ATOM 0 H THR A 108 23.142 3.619 91.558 1.00 0.00 H new ATOM 0 HA THR A 108 21.670 5.402 93.352 1.00 0.00 H new ATOM 0 HB THR A 108 20.507 3.147 93.604 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.118 4.594 95.485 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.866 1.224 94.407 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.456 1.798 92.830 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.335 2.224 94.317 1.00 0.00 H new ATOM 1656 N ASP A 109 23.595 4.457 95.230 1.00 0.00 N ATOM 1657 CA ASP A 109 24.845 4.567 96.016 1.00 0.00 C ATOM 1658 C ASP A 109 24.764 3.582 97.185 1.00 0.00 C ATOM 1659 O ASP A 109 25.682 3.473 97.975 1.00 0.00 O ATOM 1660 CB ASP A 109 25.017 5.991 96.555 1.00 0.00 C ATOM 1661 CG ASP A 109 26.347 6.090 97.309 1.00 0.00 C ATOM 1662 OD1 ASP A 109 26.365 5.760 98.483 1.00 0.00 O ATOM 1663 OD2 ASP A 109 27.323 6.492 96.698 1.00 0.00 O ATOM 0 H ASP A 109 22.770 4.234 95.786 1.00 0.00 H new ATOM 0 HA ASP A 109 25.699 4.337 95.380 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.997 6.708 95.734 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.190 6.243 97.219 1.00 0.00 H new ATOM 1668 N ASN A 110 23.684 2.835 97.292 1.00 0.00 N ATOM 1669 CA ASN A 110 23.595 1.842 98.399 1.00 0.00 C ATOM 1670 C ASN A 110 24.479 0.664 98.000 1.00 0.00 C ATOM 1671 O ASN A 110 24.535 0.277 96.852 1.00 0.00 O ATOM 1672 CB ASN A 110 22.142 1.395 98.638 1.00 0.00 C ATOM 1673 CG ASN A 110 21.585 0.713 97.395 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.304 0.683 96.314 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.483 0.201 97.411 1.00 0.00 N flip ATOM 0 H ASN A 110 22.878 2.874 96.669 1.00 0.00 H new ATOM 0 HA ASN A 110 23.932 2.280 99.338 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.100 0.711 99.486 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.527 2.258 98.894 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.921 0.226 98.262 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.120 -0.254 96.574 1.00 0.00 H new ATOM 1682 N GLN A 111 25.226 0.149 98.921 1.00 0.00 N ATOM 1683 CA GLN A 111 26.183 -0.943 98.594 1.00 0.00 C ATOM 1684 C GLN A 111 25.483 -2.294 98.327 1.00 0.00 C ATOM 1685 O GLN A 111 26.136 -3.296 98.121 1.00 0.00 O ATOM 1686 CB GLN A 111 27.172 -1.040 99.758 1.00 0.00 C ATOM 1687 CG GLN A 111 27.948 -2.351 99.712 1.00 0.00 C ATOM 1688 CD GLN A 111 29.167 -2.222 100.624 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.452 -1.152 101.122 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.900 -3.268 100.870 1.00 0.00 N ATOM 0 H GLN A 111 25.219 0.437 99.900 1.00 0.00 H new ATOM 0 HA GLN A 111 26.701 -0.708 97.664 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.867 -0.201 99.719 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.634 -0.965 100.703 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.316 -3.177 100.038 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.260 -2.572 98.691 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.662 -4.167 100.452 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.713 -3.189 101.481 1.00 0.00 H new ATOM 1699 N ALA A 112 24.178 -2.344 98.291 1.00 0.00 N ATOM 1700 CA ALA A 112 23.501 -3.649 98.010 1.00 0.00 C ATOM 1701 C ALA A 112 23.456 -3.870 96.498 1.00 0.00 C ATOM 1702 O ALA A 112 23.888 -4.888 95.970 1.00 0.00 O ATOM 1703 CB ALA A 112 22.071 -3.618 98.555 1.00 0.00 C ATOM 0 H ALA A 112 23.556 -1.550 98.442 1.00 0.00 H new ATOM 0 HA ALA A 112 24.053 -4.456 98.491 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.582 -4.570 98.348 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.096 -3.449 99.632 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.516 -2.813 98.074 1.00 0.00 H new ATOM 1709 N ILE A 113 22.963 -2.903 95.805 1.00 0.00 N ATOM 1710 CA ILE A 113 22.893 -2.995 94.326 1.00 0.00 C ATOM 1711 C ILE A 113 24.308 -3.028 93.793 1.00 0.00 C ATOM 1712 O ILE A 113 24.674 -3.859 92.981 1.00 0.00 O ATOM 1713 CB ILE A 113 22.226 -1.732 93.784 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.706 -1.843 93.869 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.639 -1.521 92.329 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.220 -1.269 95.199 1.00 0.00 C ATOM 0 H ILE A 113 22.598 -2.036 96.200 1.00 0.00 H new ATOM 0 HA ILE A 113 22.334 -3.882 94.029 1.00 0.00 H new ATOM 0 HB ILE A 113 22.548 -0.884 94.388 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.246 -1.305 93.040 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.403 -2.886 93.780 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.163 -0.620 91.943 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.722 -1.413 92.270 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.327 -2.380 91.734 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.134 -1.350 95.255 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.669 -1.826 96.021 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.510 -0.221 95.270 1.00 0.00 H new ATOM 1728 N LYS A 114 25.105 -2.109 94.242 1.00 0.00 N ATOM 1729 CA LYS A 114 26.498 -2.052 93.769 1.00 0.00 C ATOM 1730 C LYS A 114 27.104 -3.449 93.909 1.00 0.00 C ATOM 1731 O LYS A 114 28.118 -3.761 93.317 1.00 0.00 O ATOM 1732 CB LYS A 114 27.275 -1.023 94.597 1.00 0.00 C ATOM 1733 CG LYS A 114 26.519 0.317 94.586 1.00 0.00 C ATOM 1734 CD LYS A 114 26.689 1.007 93.228 1.00 0.00 C ATOM 1735 CE LYS A 114 26.379 2.499 93.365 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.424 3.148 94.206 1.00 0.00 N ATOM 0 H LYS A 114 24.846 -1.393 94.920 1.00 0.00 H new ATOM 0 HA LYS A 114 26.545 -1.744 92.724 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.393 -1.378 95.621 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.277 -0.892 94.187 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.461 0.148 94.787 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.895 0.962 95.380 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.707 0.869 92.864 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.024 0.554 92.493 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.347 2.967 92.381 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.396 2.637 93.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.446 4.168 94.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.204 2.997 95.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.352 2.733 93.988 1.00 0.00 H new ATOM 1750 N ALA A 115 26.464 -4.305 94.670 1.00 0.00 N ATOM 1751 CA ALA A 115 26.976 -5.689 94.817 1.00 0.00 C ATOM 1752 C ALA A 115 26.871 -6.381 93.463 1.00 0.00 C ATOM 1753 O ALA A 115 27.754 -7.104 93.060 1.00 0.00 O ATOM 1754 CB ALA A 115 26.158 -6.453 95.858 1.00 0.00 C ATOM 0 H ALA A 115 25.612 -4.098 95.191 1.00 0.00 H new ATOM 0 HA ALA A 115 28.013 -5.667 95.152 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.547 -7.467 95.954 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.228 -5.945 96.820 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.115 -6.493 95.544 1.00 0.00 H new ATOM 1760 N LEU A 116 25.816 -6.151 92.725 1.00 0.00 N ATOM 1761 CA LEU A 116 25.745 -6.799 91.386 1.00 0.00 C ATOM 1762 C LEU A 116 26.898 -6.229 90.574 1.00 0.00 C ATOM 1763 O LEU A 116 27.329 -6.793 89.588 1.00 0.00 O ATOM 1764 CB LEU A 116 24.421 -6.457 90.678 1.00 0.00 C ATOM 1765 CG LEU A 116 23.391 -7.589 90.813 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.167 -7.248 89.955 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.982 -8.922 90.329 1.00 0.00 C ATOM 0 H LEU A 116 25.024 -5.561 92.982 1.00 0.00 H new ATOM 0 HA LEU A 116 25.802 -7.883 91.485 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.010 -5.540 91.100 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.613 -6.264 89.622 1.00 0.00 H new ATOM 0 HG LEU A 116 23.111 -7.689 91.862 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.428 -8.045 90.042 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.732 -6.310 90.299 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.470 -7.147 88.913 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.236 -9.710 90.433 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.272 -8.833 89.282 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.858 -9.170 90.928 1.00 0.00 H new ATOM 1779 N LEU A 117 27.415 -5.120 91.018 1.00 0.00 N ATOM 1780 CA LEU A 117 28.570 -4.499 90.327 1.00 0.00 C ATOM 1781 C LEU A 117 29.807 -5.233 90.813 1.00 0.00 C ATOM 1782 O LEU A 117 30.916 -4.991 90.386 1.00 0.00 O ATOM 1783 CB LEU A 117 28.647 -3.012 90.715 1.00 0.00 C ATOM 1784 CG LEU A 117 29.108 -2.168 89.524 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.479 -2.652 89.050 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.092 -2.283 88.376 1.00 0.00 C ATOM 0 H LEU A 117 27.082 -4.614 91.839 1.00 0.00 H new ATOM 0 HA LEU A 117 28.481 -4.566 89.243 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.670 -2.668 91.055 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.338 -2.883 91.548 1.00 0.00 H new ATOM 0 HG LEU A 117 29.180 -1.125 89.832 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.804 -2.049 88.202 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.200 -2.555 89.862 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.411 -3.697 88.748 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.427 -1.680 87.532 1.00 0.00 H new ATOM 0 HD22 LEU A 117 28.009 -3.325 88.067 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.119 -1.926 88.714 1.00 0.00 H new ATOM 1798 N GLN A 118 29.590 -6.140 91.718 1.00 0.00 N ATOM 1799 CA GLN A 118 30.696 -6.938 92.282 1.00 0.00 C ATOM 1800 C GLN A 118 31.108 -8.025 91.286 1.00 0.00 C ATOM 1801 O GLN A 118 32.255 -8.439 91.330 1.00 0.00 O ATOM 1802 CB GLN A 118 30.214 -7.582 93.575 1.00 0.00 C ATOM 1803 CG GLN A 118 31.403 -8.124 94.335 1.00 0.00 C ATOM 1804 CD GLN A 118 30.940 -8.753 95.650 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.670 -8.765 95.938 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 31.744 -9.242 96.420 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 30.266 -8.428 90.501 1.00 0.00 O ATOM 0 H GLN A 118 28.669 -6.363 92.096 1.00 0.00 H new ATOM 0 HA GLN A 118 31.556 -6.299 92.480 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.682 -6.850 94.183 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.511 -8.386 93.355 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.924 -8.867 93.731 1.00 0.00 H new ATOM 0 HG3 GLN A 118 32.113 -7.322 94.536 1.00 0.00 H new ATOM 0 HE21 GLN A 118 32.738 -9.232 96.193 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.424 -9.662 97.293 1.00 0.00 H new