USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 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 Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 102:sc= 0.0865 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 38:sc= 0.428 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 37 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= 1.11 (180deg=0.593) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.133 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -138:sc= 1.1 USER MOD Single : A 57 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.13 (180deg=-0.709) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 7.513 -0.395 -7.942 1.00 0.00 N ATOM 67 CA GLY A 8 7.004 0.217 -6.727 1.00 0.00 C ATOM 68 C GLY A 8 7.330 -0.641 -5.502 1.00 0.00 C ATOM 69 O GLY A 8 8.093 -1.601 -5.598 1.00 0.00 O ATOM 0 HA2 GLY A 8 7.438 1.209 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.925 0.349 -6.806 1.00 0.00 H new ATOM 73 N GLU A 9 6.736 -0.264 -4.380 1.00 0.00 N ATOM 74 CA GLU A 9 6.953 -0.987 -3.138 1.00 0.00 C ATOM 75 C GLU A 9 5.675 -1.713 -2.716 1.00 0.00 C ATOM 76 O GLU A 9 4.632 -1.086 -2.534 1.00 0.00 O ATOM 77 CB GLU A 9 7.440 -0.046 -2.034 1.00 0.00 C ATOM 78 CG GLU A 9 8.825 0.515 -2.363 1.00 0.00 C ATOM 79 CD GLU A 9 9.451 1.182 -1.136 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.199 0.673 -0.023 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.169 2.185 -1.340 1.00 0.00 O ATOM 0 H GLU A 9 6.104 0.533 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 9 7.731 -1.731 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.732 0.773 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.476 -0.581 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.473 -0.288 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.745 1.239 -3.174 1.00 0.00 H new ATOM 88 N GLU A 10 5.797 -3.024 -2.572 1.00 0.00 N ATOM 89 CA GLU A 10 4.664 -3.843 -2.174 1.00 0.00 C ATOM 90 C GLU A 10 4.453 -3.757 -0.662 1.00 0.00 C ATOM 91 O GLU A 10 5.323 -4.151 0.114 1.00 0.00 O ATOM 92 CB GLU A 10 4.853 -5.294 -2.621 1.00 0.00 C ATOM 93 CG GLU A 10 4.750 -5.418 -4.142 1.00 0.00 C ATOM 94 CD GLU A 10 6.139 -5.475 -4.782 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.841 -6.477 -4.526 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.466 -4.516 -5.514 1.00 0.00 O ATOM 0 H GLU A 10 6.664 -3.540 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 10 3.771 -3.459 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.825 -5.657 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.099 -5.924 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.189 -6.316 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.195 -4.570 -4.543 1.00 0.00 H new ATOM 103 N TYR A 11 3.292 -3.240 -0.287 1.00 0.00 N ATOM 104 CA TYR A 11 2.955 -3.098 1.120 1.00 0.00 C ATOM 105 C TYR A 11 1.588 -3.714 1.421 1.00 0.00 C ATOM 106 O TYR A 11 0.700 -3.711 0.569 1.00 0.00 O ATOM 107 CB TYR A 11 2.894 -1.593 1.388 1.00 0.00 C ATOM 108 CG TYR A 11 4.211 -0.996 1.889 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.160 -0.564 0.985 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.450 -0.890 3.244 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.400 -0.002 1.455 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.689 -0.328 3.715 1.00 0.00 C ATOM 113 CZ TYR A 11 6.603 0.088 2.797 1.00 0.00 C ATOM 114 OH TYR A 11 7.774 0.619 3.242 1.00 0.00 O ATOM 0 H TYR A 11 2.573 -2.914 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 11 3.691 -3.605 1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.601 -1.083 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.115 -1.397 2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.973 -0.647 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.707 -1.229 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.151 0.340 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.888 -0.239 4.773 1.00 0.00 H new ATOM 0 HH TYR A 11 7.780 0.622 4.222 1.00 0.00 H new ATOM 124 N ILE A 12 1.460 -4.227 2.636 1.00 0.00 N ATOM 125 CA ILE A 12 0.215 -4.845 3.060 1.00 0.00 C ATOM 126 C ILE A 12 -0.484 -3.932 4.070 1.00 0.00 C ATOM 127 O ILE A 12 0.151 -3.413 4.986 1.00 0.00 O ATOM 128 CB ILE A 12 0.471 -6.260 3.584 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.313 -7.067 2.594 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.844 -6.964 3.925 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.432 -7.709 1.520 1.00 0.00 C ATOM 0 H ILE A 12 2.198 -4.227 3.340 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.461 -4.961 2.213 1.00 0.00 H new ATOM 0 HB ILE A 12 1.045 -6.184 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.050 -6.416 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.865 -7.841 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.634 -7.968 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.372 -6.397 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.464 -7.029 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.056 -8.277 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.288 -8.377 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.100 -6.931 0.973 1.00 0.00 H new ATOM 143 N ALA A 13 -1.783 -3.765 3.868 1.00 0.00 N ATOM 144 CA ALA A 13 -2.575 -2.925 4.749 1.00 0.00 C ATOM 145 C ALA A 13 -2.768 -3.637 6.089 1.00 0.00 C ATOM 146 O ALA A 13 -3.440 -4.665 6.158 1.00 0.00 O ATOM 147 CB ALA A 13 -3.905 -2.585 4.072 1.00 0.00 C ATOM 0 H ALA A 13 -2.306 -4.197 3.107 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.060 -1.985 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.499 -1.955 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.713 -2.054 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.451 -3.504 3.860 1.00 0.00 H new ATOM 153 N LEU A 14 -2.167 -3.063 7.121 1.00 0.00 N ATOM 154 CA LEU A 14 -2.264 -3.631 8.455 1.00 0.00 C ATOM 155 C LEU A 14 -3.718 -3.567 8.927 1.00 0.00 C ATOM 156 O LEU A 14 -4.191 -4.468 9.617 1.00 0.00 O ATOM 157 CB LEU A 14 -1.280 -2.944 9.403 1.00 0.00 C ATOM 158 CG LEU A 14 0.203 -3.220 9.145 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.073 -2.075 9.669 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.619 -4.571 9.731 1.00 0.00 C ATOM 0 H LEU A 14 -1.611 -2.210 7.060 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.978 -4.683 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.444 -1.868 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.514 -3.250 10.423 1.00 0.00 H new ATOM 0 HG LEU A 14 0.358 -3.275 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.122 -2.296 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.797 -1.149 9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.920 -1.964 10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.677 -4.743 9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.446 -4.570 10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.031 -5.364 9.270 1.00 0.00 H new ATOM 172 N TYR A 15 -4.387 -2.492 8.535 1.00 0.00 N ATOM 173 CA TYR A 15 -5.778 -2.299 8.909 1.00 0.00 C ATOM 174 C TYR A 15 -6.599 -1.789 7.723 1.00 0.00 C ATOM 175 O TYR A 15 -6.062 -1.149 6.821 1.00 0.00 O ATOM 176 CB TYR A 15 -5.775 -1.233 10.007 1.00 0.00 C ATOM 177 CG TYR A 15 -4.730 -1.469 11.100 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.006 -2.325 12.146 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.511 -0.824 11.038 1.00 0.00 C ATOM 180 CE1 TYR A 15 -4.022 -2.546 13.174 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.527 -1.046 12.066 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.831 -1.896 13.083 1.00 0.00 C ATOM 183 OH TYR A 15 -1.902 -2.105 14.054 1.00 0.00 O ATOM 0 H TYR A 15 -3.992 -1.746 7.962 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.221 -3.239 9.239 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.597 -0.258 9.553 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.763 -1.195 10.465 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.960 -2.829 12.194 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.295 -0.153 10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.225 -3.213 13.999 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.569 -0.549 12.030 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.100 -1.577 13.859 1.00 0.00 H new ATOM 193 N PRO A 16 -7.922 -2.101 7.764 1.00 0.00 N ATOM 194 CA PRO A 16 -8.823 -1.682 6.704 1.00 0.00 C ATOM 195 C PRO A 16 -9.136 -0.188 6.809 1.00 0.00 C ATOM 196 O PRO A 16 -9.777 0.250 7.764 1.00 0.00 O ATOM 197 CB PRO A 16 -10.054 -2.559 6.863 1.00 0.00 C ATOM 198 CG PRO A 16 -9.993 -3.110 8.279 1.00 0.00 C ATOM 199 CD PRO A 16 -8.594 -2.858 8.817 1.00 0.00 C ATOM 0 HA PRO A 16 -8.389 -1.804 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.966 -1.983 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.056 -3.366 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.738 -2.625 8.910 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.217 -4.177 8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.624 -2.296 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.075 -3.794 9.025 1.00 0.00 H new ATOM 207 N TYR A 17 -8.669 0.554 5.815 1.00 0.00 N ATOM 208 CA TYR A 17 -8.892 1.989 5.784 1.00 0.00 C ATOM 209 C TYR A 17 -9.932 2.360 4.726 1.00 0.00 C ATOM 210 O TYR A 17 -9.718 2.137 3.535 1.00 0.00 O ATOM 211 CB TYR A 17 -7.549 2.616 5.404 1.00 0.00 C ATOM 212 CG TYR A 17 -7.565 4.145 5.362 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.512 4.868 6.537 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.633 4.802 4.151 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.527 6.307 6.498 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.648 6.241 4.112 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.594 6.923 5.287 1.00 0.00 C ATOM 218 OH TYR A 17 -7.609 8.282 5.250 1.00 0.00 O ATOM 0 H TYR A 17 -8.137 0.188 5.025 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.260 2.341 6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.793 2.290 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.247 2.239 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.459 4.354 7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.675 4.237 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.486 6.885 7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.701 6.767 3.170 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.718 8.613 5.010 1.00 0.00 H new ATOM 228 N SER A 18 -11.036 2.920 5.198 1.00 0.00 N ATOM 229 CA SER A 18 -12.110 3.324 4.306 1.00 0.00 C ATOM 230 C SER A 18 -12.255 4.848 4.318 1.00 0.00 C ATOM 231 O SER A 18 -12.624 5.432 5.335 1.00 0.00 O ATOM 232 CB SER A 18 -13.432 2.663 4.702 1.00 0.00 C ATOM 233 OG SER A 18 -13.556 2.520 6.114 1.00 0.00 O ATOM 0 H SER A 18 -11.210 3.104 6.186 1.00 0.00 H new ATOM 0 HA SER A 18 -11.858 2.997 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.263 3.259 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.502 1.683 4.231 1.00 0.00 H new ATOM 0 HG SER A 18 -14.414 2.096 6.326 1.00 0.00 H new ATOM 295 N GLY A 23 -10.278 10.678 -2.979 1.00 0.00 N ATOM 296 CA GLY A 23 -8.885 11.086 -3.039 1.00 0.00 C ATOM 297 C GLY A 23 -7.979 10.044 -2.379 1.00 0.00 C ATOM 298 O GLY A 23 -6.986 9.619 -2.968 1.00 0.00 O ATOM 0 HA2 GLY A 23 -8.588 11.225 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.762 12.048 -2.541 1.00 0.00 H new ATOM 302 N ASP A 24 -8.353 9.664 -1.167 1.00 0.00 N ATOM 303 CA ASP A 24 -7.587 8.680 -0.421 1.00 0.00 C ATOM 304 C ASP A 24 -7.911 7.281 -0.949 1.00 0.00 C ATOM 305 O ASP A 24 -9.077 6.938 -1.135 1.00 0.00 O ATOM 306 CB ASP A 24 -7.941 8.718 1.066 1.00 0.00 C ATOM 307 CG ASP A 24 -6.767 9.006 2.004 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.074 8.029 2.362 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.589 10.196 2.341 1.00 0.00 O ATOM 0 H ASP A 24 -9.177 10.020 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.529 8.911 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.706 9.478 1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.382 7.760 1.344 1.00 0.00 H new ATOM 314 N LEU A 25 -6.857 6.510 -1.177 1.00 0.00 N ATOM 315 CA LEU A 25 -7.015 5.156 -1.680 1.00 0.00 C ATOM 316 C LEU A 25 -7.772 4.319 -0.647 1.00 0.00 C ATOM 317 O LEU A 25 -7.443 4.341 0.538 1.00 0.00 O ATOM 318 CB LEU A 25 -5.658 4.569 -2.072 1.00 0.00 C ATOM 319 CG LEU A 25 -5.698 3.295 -2.918 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.130 3.603 -4.353 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.355 2.562 -2.869 1.00 0.00 C ATOM 0 H LEU A 25 -5.891 6.798 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.612 5.155 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.101 5.328 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.098 4.359 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.446 2.626 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.150 2.680 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.125 4.049 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.423 4.300 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.410 1.660 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.571 3.213 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.126 2.290 -1.839 1.00 0.00 H new ATOM 333 N THR A 26 -8.773 3.600 -1.135 1.00 0.00 N ATOM 334 CA THR A 26 -9.580 2.756 -0.270 1.00 0.00 C ATOM 335 C THR A 26 -9.146 1.294 -0.395 1.00 0.00 C ATOM 336 O THR A 26 -9.106 0.747 -1.496 1.00 0.00 O ATOM 337 CB THR A 26 -11.050 2.986 -0.623 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.121 2.700 -2.018 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.453 4.459 -0.524 1.00 0.00 C ATOM 0 H THR A 26 -9.043 3.585 -2.118 1.00 0.00 H new ATOM 0 HA THR A 26 -9.439 3.015 0.779 1.00 0.00 H new ATOM 0 HB THR A 26 -11.679 2.392 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.533 1.945 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.506 4.566 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.294 4.812 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.847 5.049 -1.211 1.00 0.00 H new ATOM 347 N PHE A 27 -8.833 0.703 0.749 1.00 0.00 N ATOM 348 CA PHE A 27 -8.404 -0.685 0.781 1.00 0.00 C ATOM 349 C PHE A 27 -8.674 -1.310 2.151 1.00 0.00 C ATOM 350 O PHE A 27 -8.894 -0.599 3.130 1.00 0.00 O ATOM 351 CB PHE A 27 -6.897 -0.693 0.518 1.00 0.00 C ATOM 352 CG PHE A 27 -6.101 0.244 1.429 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.828 -0.123 2.710 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.666 1.443 0.957 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.090 0.747 3.555 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.927 2.312 1.802 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.654 1.946 3.084 1.00 0.00 C ATOM 0 H PHE A 27 -8.868 1.160 1.660 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.950 -1.261 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.522 -1.709 0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.718 -0.412 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.172 -1.076 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.883 1.734 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.875 0.456 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.581 3.264 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.092 2.607 3.727 1.00 0.00 H new ATOM 367 N THR A 28 -8.649 -2.635 2.176 1.00 0.00 N ATOM 368 CA THR A 28 -8.888 -3.364 3.410 1.00 0.00 C ATOM 369 C THR A 28 -7.592 -4.005 3.911 1.00 0.00 C ATOM 370 O THR A 28 -6.583 -4.005 3.207 1.00 0.00 O ATOM 371 CB THR A 28 -10.006 -4.377 3.151 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.726 -4.877 1.847 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.376 -3.712 3.009 1.00 0.00 C ATOM 0 H THR A 28 -8.467 -3.222 1.362 1.00 0.00 H new ATOM 0 HA THR A 28 -9.212 -2.696 4.208 1.00 0.00 H new ATOM 0 HB THR A 28 -10.036 -5.101 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.402 -5.542 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.133 -4.474 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.616 -3.174 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.356 -3.013 2.173 1.00 0.00 H new ATOM 381 N GLU A 29 -7.662 -4.535 5.123 1.00 0.00 N ATOM 382 CA GLU A 29 -6.506 -5.177 5.726 1.00 0.00 C ATOM 383 C GLU A 29 -6.152 -6.456 4.965 1.00 0.00 C ATOM 384 O GLU A 29 -7.017 -7.296 4.720 1.00 0.00 O ATOM 385 CB GLU A 29 -6.754 -5.471 7.207 1.00 0.00 C ATOM 386 CG GLU A 29 -5.760 -6.508 7.734 1.00 0.00 C ATOM 387 CD GLU A 29 -6.446 -7.856 7.967 1.00 0.00 C ATOM 388 OE1 GLU A 29 -6.886 -8.451 6.959 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.516 -8.261 9.147 1.00 0.00 O ATOM 0 H GLU A 29 -8.501 -4.533 5.704 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.660 -4.493 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.665 -4.551 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.772 -5.836 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.944 -6.630 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.320 -6.154 8.666 1.00 0.00 H new ATOM 396 N GLY A 30 -4.880 -6.564 4.612 1.00 0.00 N ATOM 397 CA GLY A 30 -4.401 -7.726 3.884 1.00 0.00 C ATOM 398 C GLY A 30 -4.137 -7.383 2.416 1.00 0.00 C ATOM 399 O GLY A 30 -3.271 -7.982 1.781 1.00 0.00 O ATOM 0 H GLY A 30 -4.166 -5.865 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.485 -8.096 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.137 -8.528 3.947 1.00 0.00 H new ATOM 403 N GLU A 31 -4.901 -6.421 1.920 1.00 0.00 N ATOM 404 CA GLU A 31 -4.760 -5.991 0.539 1.00 0.00 C ATOM 405 C GLU A 31 -3.303 -5.635 0.240 1.00 0.00 C ATOM 406 O GLU A 31 -2.551 -5.271 1.142 1.00 0.00 O ATOM 407 CB GLU A 31 -5.686 -4.812 0.235 1.00 0.00 C ATOM 408 CG GLU A 31 -7.057 -5.299 -0.239 1.00 0.00 C ATOM 409 CD GLU A 31 -7.089 -5.449 -1.761 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.648 -4.493 -2.435 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.554 -6.516 -2.216 1.00 0.00 O ATOM 0 H GLU A 31 -5.620 -5.927 2.449 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.052 -6.817 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.803 -4.198 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.236 -4.180 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.289 -6.256 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.826 -4.594 0.077 1.00 0.00 H new ATOM 418 N GLU A 32 -2.947 -5.754 -1.031 1.00 0.00 N ATOM 419 CA GLU A 32 -1.593 -5.449 -1.461 1.00 0.00 C ATOM 420 C GLU A 32 -1.549 -4.084 -2.150 1.00 0.00 C ATOM 421 O GLU A 32 -2.018 -3.938 -3.278 1.00 0.00 O ATOM 422 CB GLU A 32 -1.051 -6.545 -2.381 1.00 0.00 C ATOM 423 CG GLU A 32 0.035 -7.363 -1.679 1.00 0.00 C ATOM 424 CD GLU A 32 0.581 -8.456 -2.600 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.005 -9.565 -2.568 1.00 0.00 O ATOM 426 OE2 GLU A 32 1.562 -8.157 -3.315 1.00 0.00 O ATOM 0 H GLU A 32 -3.573 -6.058 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.953 -5.410 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.865 -7.202 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.644 -6.096 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.847 -6.705 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.373 -7.815 -0.775 1.00 0.00 H new ATOM 433 N ILE A 33 -0.982 -3.118 -1.442 1.00 0.00 N ATOM 434 CA ILE A 33 -0.871 -1.769 -1.972 1.00 0.00 C ATOM 435 C ILE A 33 0.538 -1.559 -2.530 1.00 0.00 C ATOM 436 O ILE A 33 1.526 -1.813 -1.843 1.00 0.00 O ATOM 437 CB ILE A 33 -1.271 -0.743 -0.910 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.720 -0.950 -0.465 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.022 0.684 -1.405 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.820 -1.018 1.061 1.00 0.00 C ATOM 0 H ILE A 33 -0.595 -3.242 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.566 -1.626 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.640 -0.895 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.339 -0.134 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.110 -1.870 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.315 1.394 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.037 0.811 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.610 0.865 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.860 -1.166 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.219 -1.850 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.452 -0.087 1.492 1.00 0.00 H new ATOM 452 N LEU A 34 0.585 -1.099 -3.771 1.00 0.00 N ATOM 453 CA LEU A 34 1.857 -0.852 -4.430 1.00 0.00 C ATOM 454 C LEU A 34 2.203 0.634 -4.321 1.00 0.00 C ATOM 455 O LEU A 34 1.621 1.464 -5.018 1.00 0.00 O ATOM 456 CB LEU A 34 1.825 -1.372 -5.869 1.00 0.00 C ATOM 457 CG LEU A 34 3.156 -1.343 -6.622 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.188 -2.249 -5.947 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.959 -1.698 -8.097 1.00 0.00 C ATOM 0 H LEU A 34 -0.237 -0.891 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 34 2.656 -1.403 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.460 -2.399 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.099 -0.784 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 34 3.547 -0.326 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.125 -2.210 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.357 -1.909 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.818 -3.274 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.921 -1.670 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.534 -2.699 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.282 -0.979 -8.557 1.00 0.00 H new ATOM 471 N VAL A 35 3.149 0.926 -3.440 1.00 0.00 N ATOM 472 CA VAL A 35 3.579 2.297 -3.230 1.00 0.00 C ATOM 473 C VAL A 35 4.609 2.673 -4.297 1.00 0.00 C ATOM 474 O VAL A 35 5.441 1.850 -4.679 1.00 0.00 O ATOM 475 CB VAL A 35 4.106 2.468 -1.804 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.551 3.911 -1.553 1.00 0.00 C ATOM 477 CG2 VAL A 35 3.060 2.031 -0.777 1.00 0.00 C ATOM 0 H VAL A 35 3.630 0.235 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 35 2.737 2.981 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 35 4.978 1.824 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.921 4.005 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.345 4.174 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.705 4.583 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.460 2.163 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.161 2.637 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.812 0.981 -0.934 1.00 0.00 H new ATOM 487 N THR A 36 4.520 3.915 -4.749 1.00 0.00 N ATOM 488 CA THR A 36 5.435 4.409 -5.765 1.00 0.00 C ATOM 489 C THR A 36 5.929 5.810 -5.401 1.00 0.00 C ATOM 490 O THR A 36 7.121 6.097 -5.502 1.00 0.00 O ATOM 491 CB THR A 36 4.718 4.350 -7.115 1.00 0.00 C ATOM 492 OG1 THR A 36 3.675 5.314 -6.998 1.00 0.00 O ATOM 493 CG2 THR A 36 3.980 3.027 -7.329 1.00 0.00 C ATOM 0 H THR A 36 3.829 4.594 -4.431 1.00 0.00 H new ATOM 0 HA THR A 36 6.329 3.789 -5.828 1.00 0.00 H new ATOM 0 HB THR A 36 5.442 4.495 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.161 5.342 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.489 3.038 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.692 2.203 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.233 2.897 -6.546 1.00 0.00 H new ATOM 501 N GLN A 37 4.989 6.645 -4.984 1.00 0.00 N ATOM 502 CA GLN A 37 5.314 8.010 -4.605 1.00 0.00 C ATOM 503 C GLN A 37 5.132 8.199 -3.097 1.00 0.00 C ATOM 504 O GLN A 37 4.055 7.940 -2.562 1.00 0.00 O ATOM 505 CB GLN A 37 4.469 9.014 -5.390 1.00 0.00 C ATOM 506 CG GLN A 37 5.264 9.608 -6.554 1.00 0.00 C ATOM 507 CD GLN A 37 4.352 9.900 -7.748 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.167 9.612 -7.742 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.970 10.486 -8.770 1.00 0.00 N ATOM 0 H GLN A 37 4.002 6.403 -4.900 1.00 0.00 H new ATOM 0 HA GLN A 37 6.359 8.196 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.573 8.522 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.137 9.813 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.754 10.527 -6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.050 8.915 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.965 10.700 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.448 10.721 -9.614 1.00 0.00 H new ATOM 518 N LYS A 38 6.200 8.649 -2.456 1.00 0.00 N ATOM 519 CA LYS A 38 6.171 8.876 -1.021 1.00 0.00 C ATOM 520 C LYS A 38 6.352 10.370 -0.742 1.00 0.00 C ATOM 521 O LYS A 38 7.465 10.889 -0.818 1.00 0.00 O ATOM 522 CB LYS A 38 7.201 7.990 -0.318 1.00 0.00 C ATOM 523 CG LYS A 38 7.055 6.530 -0.751 1.00 0.00 C ATOM 524 CD LYS A 38 7.738 5.591 0.245 1.00 0.00 C ATOM 525 CE LYS A 38 8.316 4.365 -0.464 1.00 0.00 C ATOM 526 NZ LYS A 38 9.462 4.752 -1.317 1.00 0.00 N ATOM 0 H LYS A 38 7.091 8.863 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 38 5.204 8.589 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.206 8.342 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.076 8.067 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.998 6.275 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.491 6.395 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.534 6.124 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.020 5.273 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.636 3.629 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.545 3.893 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.116 3.948 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.117 5.023 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.959 5.557 -0.886 1.00 0.00 H new ATOM 540 N ASP A 39 5.242 11.019 -0.424 1.00 0.00 N ATOM 541 CA ASP A 39 5.264 12.442 -0.133 1.00 0.00 C ATOM 542 C ASP A 39 5.021 12.656 1.363 1.00 0.00 C ATOM 543 O ASP A 39 3.888 12.559 1.831 1.00 0.00 O ATOM 544 CB ASP A 39 4.164 13.178 -0.900 1.00 0.00 C ATOM 545 CG ASP A 39 4.660 14.260 -1.863 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.115 15.307 -1.354 1.00 0.00 O ATOM 547 OD2 ASP A 39 4.573 14.014 -3.085 1.00 0.00 O ATOM 0 H ASP A 39 4.321 10.585 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 39 6.236 12.833 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.585 12.448 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.485 13.636 -0.181 1.00 0.00 H new ATOM 552 N GLY A 40 6.104 12.943 2.070 1.00 0.00 N ATOM 553 CA GLY A 40 6.023 13.171 3.503 1.00 0.00 C ATOM 554 C GLY A 40 5.728 11.869 4.250 1.00 0.00 C ATOM 555 O GLY A 40 6.393 10.858 4.028 1.00 0.00 O ATOM 0 H GLY A 40 7.042 13.023 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.961 13.595 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.242 13.901 3.715 1.00 0.00 H new ATOM 559 N GLU A 41 4.731 11.936 5.120 1.00 0.00 N ATOM 560 CA GLU A 41 4.340 10.775 5.901 1.00 0.00 C ATOM 561 C GLU A 41 3.379 9.895 5.099 1.00 0.00 C ATOM 562 O GLU A 41 3.481 8.669 5.130 1.00 0.00 O ATOM 563 CB GLU A 41 3.716 11.195 7.233 1.00 0.00 C ATOM 564 CG GLU A 41 3.525 9.988 8.154 1.00 0.00 C ATOM 565 CD GLU A 41 3.716 10.382 9.620 1.00 0.00 C ATOM 566 OE1 GLU A 41 4.616 11.212 9.872 1.00 0.00 O ATOM 567 OE2 GLU A 41 2.958 9.843 10.456 1.00 0.00 O ATOM 0 H GLU A 41 4.182 12.776 5.301 1.00 0.00 H new ATOM 0 HA GLU A 41 5.235 10.193 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.354 11.932 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.754 11.675 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.527 9.572 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.237 9.207 7.888 1.00 0.00 H new ATOM 574 N TRP A 42 2.467 10.554 4.399 1.00 0.00 N ATOM 575 CA TRP A 42 1.489 9.847 3.590 1.00 0.00 C ATOM 576 C TRP A 42 2.097 9.618 2.205 1.00 0.00 C ATOM 577 O TRP A 42 2.604 10.551 1.584 1.00 0.00 O ATOM 578 CB TRP A 42 0.163 10.609 3.542 1.00 0.00 C ATOM 579 CG TRP A 42 -0.621 10.576 4.856 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.179 10.859 6.088 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.013 10.228 5.017 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.179 10.719 7.029 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.329 10.323 6.357 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.972 9.845 4.063 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.606 10.051 6.864 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.242 9.577 4.586 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.577 9.668 5.932 1.00 0.00 C ATOM 0 H TRP A 42 2.385 11.570 4.376 1.00 0.00 H new ATOM 0 HA TRP A 42 1.252 8.879 4.031 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.362 11.647 3.275 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.457 10.189 2.750 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.833 11.159 6.317 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.090 10.877 8.033 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.746 9.764 3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.829 10.132 7.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.017 9.278 3.895 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.582 9.444 6.257 1.00 0.00 H new ATOM 598 N TRP A 43 2.027 8.371 1.762 1.00 0.00 N ATOM 599 CA TRP A 43 2.565 8.008 0.462 1.00 0.00 C ATOM 600 C TRP A 43 1.391 7.652 -0.453 1.00 0.00 C ATOM 601 O TRP A 43 0.276 7.435 0.019 1.00 0.00 O ATOM 602 CB TRP A 43 3.589 6.879 0.588 1.00 0.00 C ATOM 603 CG TRP A 43 4.597 7.076 1.721 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.037 8.230 2.242 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.277 6.038 2.458 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.947 8.012 3.257 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.098 6.636 3.392 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.201 4.639 2.339 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.905 5.914 4.279 1.00 0.00 C ATOM 610 CZ3 TRP A 43 6.013 3.931 3.232 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.845 4.519 4.178 1.00 0.00 C ATOM 0 H TRP A 43 1.606 7.600 2.280 1.00 0.00 H new ATOM 0 HA TRP A 43 3.108 8.845 0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.060 5.939 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.130 6.787 -0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.720 9.207 1.910 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.421 8.728 3.807 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.566 4.150 1.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.539 6.406 5.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.992 2.852 3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.443 3.902 4.832 1.00 0.00 H new ATOM 622 N THR A 44 1.682 7.603 -1.744 1.00 0.00 N ATOM 623 CA THR A 44 0.664 7.276 -2.729 1.00 0.00 C ATOM 624 C THR A 44 0.758 5.801 -3.123 1.00 0.00 C ATOM 625 O THR A 44 1.758 5.370 -3.696 1.00 0.00 O ATOM 626 CB THR A 44 0.826 8.233 -3.911 1.00 0.00 C ATOM 627 OG1 THR A 44 0.256 9.455 -3.450 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.048 7.842 -5.105 1.00 0.00 C ATOM 0 H THR A 44 2.608 7.784 -2.132 1.00 0.00 H new ATOM 0 HA THR A 44 -0.338 7.407 -2.321 1.00 0.00 H new ATOM 0 HB THR A 44 1.872 8.256 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.321 10.133 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.105 8.554 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.224 6.842 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.096 7.851 -4.807 1.00 0.00 H new ATOM 636 N GLY A 45 -0.298 5.067 -2.802 1.00 0.00 N ATOM 637 CA GLY A 45 -0.347 3.649 -3.116 1.00 0.00 C ATOM 638 C GLY A 45 -1.184 3.394 -4.371 1.00 0.00 C ATOM 639 O GLY A 45 -1.810 4.311 -4.901 1.00 0.00 O ATOM 0 H GLY A 45 -1.126 5.428 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.664 3.271 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.771 3.101 -2.274 1.00 0.00 H new ATOM 643 N SER A 46 -1.169 2.144 -4.810 1.00 0.00 N ATOM 644 CA SER A 46 -1.919 1.757 -5.992 1.00 0.00 C ATOM 645 C SER A 46 -2.337 0.289 -5.890 1.00 0.00 C ATOM 646 O SER A 46 -1.669 -0.505 -5.229 1.00 0.00 O ATOM 647 CB SER A 46 -1.101 1.989 -7.264 1.00 0.00 C ATOM 648 OG SER A 46 -0.421 3.241 -7.241 1.00 0.00 O ATOM 0 H SER A 46 -0.649 1.386 -4.368 1.00 0.00 H new ATOM 0 HA SER A 46 -2.812 2.379 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.375 1.184 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.760 1.951 -8.131 1.00 0.00 H new ATOM 0 HG SER A 46 0.091 3.351 -8.070 1.00 0.00 H new ATOM 654 N ILE A 47 -3.438 -0.028 -6.554 1.00 0.00 N ATOM 655 CA ILE A 47 -3.952 -1.387 -6.546 1.00 0.00 C ATOM 656 C ILE A 47 -4.428 -1.756 -7.953 1.00 0.00 C ATOM 657 O ILE A 47 -5.429 -1.225 -8.432 1.00 0.00 O ATOM 658 CB ILE A 47 -5.029 -1.546 -5.471 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.439 -1.360 -4.072 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.753 -2.887 -5.614 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.539 -1.091 -3.044 1.00 0.00 C ATOM 0 H ILE A 47 -3.989 0.633 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.163 -2.091 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.772 -0.762 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.881 -2.252 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.732 -0.530 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.513 -2.975 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.227 -2.942 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.035 -3.701 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.092 -0.963 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.080 -0.185 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.230 -1.933 -3.022 1.00 0.00 H new ATOM 673 N GLY A 48 -3.689 -2.662 -8.575 1.00 0.00 N ATOM 674 CA GLY A 48 -4.023 -3.108 -9.917 1.00 0.00 C ATOM 675 C GLY A 48 -3.837 -1.979 -10.932 1.00 0.00 C ATOM 676 O GLY A 48 -2.982 -2.065 -11.812 1.00 0.00 O ATOM 0 H GLY A 48 -2.859 -3.100 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.393 -3.955 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.055 -3.458 -9.942 1.00 0.00 H new ATOM 680 N ASP A 49 -4.652 -0.946 -10.776 1.00 0.00 N ATOM 681 CA ASP A 49 -4.588 0.199 -11.668 1.00 0.00 C ATOM 682 C ASP A 49 -5.285 1.392 -11.010 1.00 0.00 C ATOM 683 O ASP A 49 -5.821 2.259 -11.698 1.00 0.00 O ATOM 684 CB ASP A 49 -5.300 -0.093 -12.990 1.00 0.00 C ATOM 685 CG ASP A 49 -4.532 -1.004 -13.950 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.657 -0.468 -14.664 1.00 0.00 O ATOM 687 OD2 ASP A 49 -4.838 -2.216 -13.949 1.00 0.00 O ATOM 0 H ASP A 49 -5.360 -0.878 -10.045 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.538 0.416 -11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.265 -0.551 -12.772 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.502 0.853 -13.493 1.00 0.00 H new ATOM 692 N ARG A 50 -5.253 1.398 -9.685 1.00 0.00 N ATOM 693 CA ARG A 50 -5.874 2.471 -8.927 1.00 0.00 C ATOM 694 C ARG A 50 -4.807 3.418 -8.375 1.00 0.00 C ATOM 695 O ARG A 50 -3.622 3.089 -8.371 1.00 0.00 O ATOM 696 CB ARG A 50 -6.703 1.916 -7.766 1.00 0.00 C ATOM 697 CG ARG A 50 -8.191 1.884 -8.121 1.00 0.00 C ATOM 698 CD ARG A 50 -8.996 1.153 -7.045 1.00 0.00 C ATOM 699 NE ARG A 50 -9.419 -0.175 -7.543 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.421 -0.891 -7.015 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.108 -0.412 -5.969 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.735 -2.087 -7.532 1.00 0.00 N ATOM 0 H ARG A 50 -4.807 0.677 -9.118 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.533 3.016 -9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.363 0.910 -7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.550 2.531 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.564 2.902 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.329 1.389 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.393 1.037 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.870 1.743 -6.770 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.916 -0.570 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.868 0.498 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.871 -0.957 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.211 -2.452 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.498 -2.632 -7.130 1.00 0.00 H new ATOM 716 N SER A 51 -5.266 4.576 -7.923 1.00 0.00 N ATOM 717 CA SER A 51 -4.366 5.573 -7.371 1.00 0.00 C ATOM 718 C SER A 51 -5.068 6.354 -6.258 1.00 0.00 C ATOM 719 O SER A 51 -6.276 6.581 -6.321 1.00 0.00 O ATOM 720 CB SER A 51 -3.869 6.529 -8.457 1.00 0.00 C ATOM 721 OG SER A 51 -2.472 6.383 -8.699 1.00 0.00 O ATOM 0 H SER A 51 -6.250 4.846 -7.928 1.00 0.00 H new ATOM 0 HA SER A 51 -3.500 5.058 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.418 6.345 -9.381 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.080 7.556 -8.160 1.00 0.00 H new ATOM 0 HG SER A 51 -2.194 7.009 -9.400 1.00 0.00 H new ATOM 727 N GLY A 52 -4.283 6.743 -5.265 1.00 0.00 N ATOM 728 CA GLY A 52 -4.814 7.493 -4.140 1.00 0.00 C ATOM 729 C GLY A 52 -3.778 7.611 -3.020 1.00 0.00 C ATOM 730 O GLY A 52 -2.687 7.052 -3.118 1.00 0.00 O ATOM 0 H GLY A 52 -3.282 6.553 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.112 8.488 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.710 7.001 -3.761 1.00 0.00 H new ATOM 734 N ILE A 53 -4.157 8.341 -1.982 1.00 0.00 N ATOM 735 CA ILE A 53 -3.274 8.539 -0.844 1.00 0.00 C ATOM 736 C ILE A 53 -3.735 7.652 0.314 1.00 0.00 C ATOM 737 O ILE A 53 -4.889 7.228 0.355 1.00 0.00 O ATOM 738 CB ILE A 53 -3.188 10.024 -0.485 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.563 10.576 -0.102 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.544 10.826 -1.618 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.429 11.876 0.693 1.00 0.00 C ATOM 0 H ILE A 53 -5.063 8.803 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.257 8.235 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.544 10.127 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.151 10.755 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.103 9.837 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.495 11.878 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.537 10.452 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.141 10.720 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.420 12.247 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.861 11.688 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.910 12.620 0.089 1.00 0.00 H new ATOM 753 N PHE A 54 -2.809 7.397 1.226 1.00 0.00 N ATOM 754 CA PHE A 54 -3.105 6.568 2.382 1.00 0.00 C ATOM 755 C PHE A 54 -2.080 6.792 3.496 1.00 0.00 C ATOM 756 O PHE A 54 -0.995 7.316 3.249 1.00 0.00 O ATOM 757 CB PHE A 54 -3.027 5.112 1.920 1.00 0.00 C ATOM 758 CG PHE A 54 -1.605 4.623 1.640 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.797 4.256 2.670 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.149 4.555 0.360 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.523 3.802 2.410 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.172 4.101 0.100 1.00 0.00 C ATOM 763 CZ PHE A 54 0.980 3.734 1.131 1.00 0.00 C ATOM 0 H PHE A 54 -1.853 7.750 1.188 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.090 6.818 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.476 4.475 2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.625 4.996 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.159 4.310 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.791 4.846 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.164 3.511 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.535 4.047 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.984 3.389 0.934 1.00 0.00 H new ATOM 773 N PRO A 55 -2.471 6.374 4.729 1.00 0.00 N ATOM 774 CA PRO A 55 -1.598 6.524 5.882 1.00 0.00 C ATOM 775 C PRO A 55 -0.469 5.493 5.852 1.00 0.00 C ATOM 776 O PRO A 55 -0.720 4.290 5.908 1.00 0.00 O ATOM 777 CB PRO A 55 -2.510 6.372 7.088 1.00 0.00 C ATOM 778 CG PRO A 55 -3.766 5.684 6.577 1.00 0.00 C ATOM 779 CD PRO A 55 -3.749 5.750 5.059 1.00 0.00 C ATOM 0 HA PRO A 55 -1.090 7.488 5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.031 5.781 7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.746 7.343 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.797 4.648 6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.657 6.174 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.830 4.756 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.586 6.336 4.679 1.00 0.00 H new ATOM 787 N SER A 56 0.752 6.001 5.764 1.00 0.00 N ATOM 788 CA SER A 56 1.921 5.139 5.726 1.00 0.00 C ATOM 789 C SER A 56 2.025 4.341 7.027 1.00 0.00 C ATOM 790 O SER A 56 2.788 3.381 7.111 1.00 0.00 O ATOM 791 CB SER A 56 3.197 5.952 5.498 1.00 0.00 C ATOM 792 OG SER A 56 3.510 6.779 6.615 1.00 0.00 O ATOM 0 H SER A 56 0.957 6.999 5.718 1.00 0.00 H new ATOM 0 HA SER A 56 1.809 4.447 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.029 5.275 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.078 6.572 4.610 1.00 0.00 H new ATOM 0 HG SER A 56 3.811 7.656 6.298 1.00 0.00 H new ATOM 798 N ASN A 57 1.246 4.769 8.010 1.00 0.00 N ATOM 799 CA ASN A 57 1.241 4.106 9.303 1.00 0.00 C ATOM 800 C ASN A 57 0.228 2.960 9.280 1.00 0.00 C ATOM 801 O ASN A 57 0.035 2.277 10.285 1.00 0.00 O ATOM 802 CB ASN A 57 0.834 5.074 10.416 1.00 0.00 C ATOM 803 CG ASN A 57 1.286 4.558 11.784 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.199 3.758 11.904 1.00 0.00 O ATOM 805 ND2 ASN A 57 0.596 5.058 12.806 1.00 0.00 N ATOM 0 H ASN A 57 0.614 5.566 7.937 1.00 0.00 H new ATOM 0 HA ASN A 57 2.248 3.736 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.274 6.054 10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.248 5.204 10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.820 4.775 13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.157 5.725 12.636 1.00 0.00 H new ATOM 812 N TYR A 58 -0.392 2.784 8.123 1.00 0.00 N ATOM 813 CA TYR A 58 -1.380 1.732 7.955 1.00 0.00 C ATOM 814 C TYR A 58 -0.970 0.766 6.842 1.00 0.00 C ATOM 815 O TYR A 58 -1.824 0.171 6.186 1.00 0.00 O ATOM 816 CB TYR A 58 -2.679 2.433 7.553 1.00 0.00 C ATOM 817 CG TYR A 58 -3.405 3.114 8.715 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.757 4.074 9.466 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.707 2.767 9.014 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.440 4.715 10.560 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.390 3.408 10.108 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.723 4.350 10.827 1.00 0.00 C ATOM 823 OH TYR A 58 -5.368 4.955 11.860 1.00 0.00 O ATOM 0 H TYR A 58 -0.229 3.353 7.292 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.484 1.154 8.873 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.456 3.179 6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.348 1.703 7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.738 4.344 9.233 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.214 2.015 8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.945 5.468 11.155 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.409 3.146 10.352 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.277 4.596 11.933 1.00 0.00 H new ATOM 833 N VAL A 59 0.337 0.641 6.663 1.00 0.00 N ATOM 834 CA VAL A 59 0.870 -0.243 5.640 1.00 0.00 C ATOM 835 C VAL A 59 2.184 -0.852 6.133 1.00 0.00 C ATOM 836 O VAL A 59 2.965 -0.186 6.812 1.00 0.00 O ATOM 837 CB VAL A 59 1.022 0.516 4.320 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.298 1.172 3.911 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.144 1.552 4.409 1.00 0.00 C ATOM 0 H VAL A 59 1.042 1.137 7.209 1.00 0.00 H new ATOM 0 HA VAL A 59 0.181 -1.066 5.449 1.00 0.00 H new ATOM 0 HB VAL A 59 1.292 -0.205 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.163 1.705 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.063 0.405 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.610 1.874 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.231 2.077 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.917 2.268 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.085 1.050 4.634 1.00 0.00 H new ATOM 849 N LYS A 60 2.388 -2.110 5.773 1.00 0.00 N ATOM 850 CA LYS A 60 3.594 -2.817 6.170 1.00 0.00 C ATOM 851 C LYS A 60 4.328 -3.307 4.921 1.00 0.00 C ATOM 852 O LYS A 60 3.725 -3.452 3.859 1.00 0.00 O ATOM 853 CB LYS A 60 3.260 -3.931 7.164 1.00 0.00 C ATOM 854 CG LYS A 60 2.762 -5.182 6.438 1.00 0.00 C ATOM 855 CD LYS A 60 2.167 -6.189 7.425 1.00 0.00 C ATOM 856 CE LYS A 60 2.168 -7.600 6.836 1.00 0.00 C ATOM 857 NZ LYS A 60 0.949 -8.334 7.244 1.00 0.00 N ATOM 0 H LYS A 60 1.738 -2.659 5.210 1.00 0.00 H new ATOM 0 HA LYS A 60 4.273 -2.146 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.144 -4.175 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.498 -3.584 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.010 -4.903 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.586 -5.644 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.741 -6.178 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.148 -5.897 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.220 -7.546 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.054 -8.140 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.966 -9.290 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.915 -8.402 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.108 -7.827 6.903 1.00 0.00 H new ATOM 871 N PRO A 61 5.654 -3.556 5.094 1.00 0.00 N ATOM 872 CA PRO A 61 6.477 -4.028 3.992 1.00 0.00 C ATOM 873 C PRO A 61 6.202 -5.503 3.696 1.00 0.00 C ATOM 874 O PRO A 61 6.420 -6.363 4.549 1.00 0.00 O ATOM 875 CB PRO A 61 7.908 -3.766 4.431 1.00 0.00 C ATOM 876 CG PRO A 61 7.857 -3.590 5.940 1.00 0.00 C ATOM 877 CD PRO A 61 6.402 -3.396 6.337 1.00 0.00 C ATOM 0 HA PRO A 61 6.262 -3.515 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.559 -4.596 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.308 -2.875 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.276 -4.463 6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.454 -2.730 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.094 -4.130 7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.239 -2.411 6.773 1.00 0.00 H new ATOM 885 N LYS A 62 5.729 -5.752 2.484 1.00 0.00 N ATOM 886 CA LYS A 62 5.423 -7.109 2.064 1.00 0.00 C ATOM 887 C LYS A 62 6.670 -7.981 2.223 1.00 0.00 C ATOM 888 O LYS A 62 7.557 -7.962 1.372 1.00 0.00 O ATOM 889 CB LYS A 62 4.845 -7.115 0.647 1.00 0.00 C ATOM 890 CG LYS A 62 5.040 -8.478 -0.019 1.00 0.00 C ATOM 891 CD LYS A 62 3.780 -8.902 -0.777 1.00 0.00 C ATOM 892 CE LYS A 62 2.931 -9.859 0.062 1.00 0.00 C ATOM 893 NZ LYS A 62 3.659 -11.126 0.300 1.00 0.00 N ATOM 0 H LYS A 62 5.550 -5.037 1.779 1.00 0.00 H new ATOM 0 HA LYS A 62 4.649 -7.539 2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.783 -6.872 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.329 -6.342 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.885 -8.434 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.283 -9.225 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.193 -8.021 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.060 -9.384 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.681 -9.392 1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.991 -10.064 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.977 -11.903 0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.284 -11.324 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.229 -11.042 1.166 1.00 0.00 H new