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 108:sc=0.000638 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 108:sc= 0.325 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00549 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0993 USER MOD Single : A 37 GLN : amide:sc= -0.006 X(o=-0.006,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -136:sc=-0.00184 (180deg=-0.23) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -105:sc= 0.921 USER MOD Single : A 57 ASN : amide:sc= 0.279 X(o=0.28,f=0) 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+ 154:sc= -1.35 (180deg=-2.49!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 8.435 1.030 -7.526 1.00 0.00 N ATOM 67 CA GLY A 8 7.292 0.853 -6.647 1.00 0.00 C ATOM 68 C GLY A 8 7.631 -0.091 -5.491 1.00 0.00 C ATOM 69 O GLY A 8 8.395 -1.039 -5.663 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.979 1.820 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.451 0.453 -7.214 1.00 0.00 H new ATOM 73 N GLU A 9 7.046 0.202 -4.339 1.00 0.00 N ATOM 74 CA GLU A 9 7.276 -0.608 -3.155 1.00 0.00 C ATOM 75 C GLU A 9 5.980 -1.298 -2.723 1.00 0.00 C ATOM 76 O GLU A 9 4.983 -0.633 -2.443 1.00 0.00 O ATOM 77 CB GLU A 9 7.854 0.235 -2.017 1.00 0.00 C ATOM 78 CG GLU A 9 9.381 0.281 -2.091 1.00 0.00 C ATOM 79 CD GLU A 9 9.985 0.652 -0.734 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.376 0.257 0.284 1.00 0.00 O ATOM 81 OE2 GLU A 9 11.040 1.321 -0.746 1.00 0.00 O ATOM 0 H GLU A 9 6.413 0.990 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 9 8.009 -1.376 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.453 1.247 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.545 -0.181 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.763 -0.689 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.691 1.008 -2.842 1.00 0.00 H new ATOM 88 N GLU A 10 6.036 -2.621 -2.684 1.00 0.00 N ATOM 89 CA GLU A 10 4.879 -3.407 -2.291 1.00 0.00 C ATOM 90 C GLU A 10 4.663 -3.315 -0.779 1.00 0.00 C ATOM 91 O GLU A 10 5.616 -3.404 -0.006 1.00 0.00 O ATOM 92 CB GLU A 10 5.028 -4.863 -2.736 1.00 0.00 C ATOM 93 CG GLU A 10 4.867 -4.992 -4.252 1.00 0.00 C ATOM 94 CD GLU A 10 6.222 -4.900 -4.957 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.117 -4.242 -4.384 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.332 -5.490 -6.054 1.00 0.00 O ATOM 0 H GLU A 10 6.864 -3.168 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 10 4.000 -2.998 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.006 -5.240 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.282 -5.479 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.392 -5.944 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.208 -4.206 -4.620 1.00 0.00 H new ATOM 103 N TYR A 11 3.405 -3.140 -0.402 1.00 0.00 N ATOM 104 CA TYR A 11 3.053 -3.035 1.004 1.00 0.00 C ATOM 105 C TYR A 11 1.753 -3.786 1.301 1.00 0.00 C ATOM 106 O TYR A 11 0.908 -3.943 0.421 1.00 0.00 O ATOM 107 CB TYR A 11 2.840 -1.545 1.276 1.00 0.00 C ATOM 108 CG TYR A 11 4.080 -0.827 1.814 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.028 -0.338 0.939 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.249 -0.669 3.175 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.195 0.337 1.446 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.416 0.007 3.681 1.00 0.00 C ATOM 113 CZ TYR A 11 6.331 0.476 2.792 1.00 0.00 C ATOM 114 OH TYR A 11 7.433 1.114 3.270 1.00 0.00 O ATOM 0 H TYR A 11 2.617 -3.068 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 11 3.836 -3.466 1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.523 -1.059 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.027 -1.430 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.895 -0.461 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.507 -1.052 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.945 0.724 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.561 0.138 4.743 1.00 0.00 H new ATOM 0 HH TYR A 11 7.176 1.992 3.622 1.00 0.00 H new ATOM 124 N ILE A 12 1.634 -4.230 2.543 1.00 0.00 N ATOM 125 CA ILE A 12 0.452 -4.960 2.967 1.00 0.00 C ATOM 126 C ILE A 12 -0.373 -4.083 3.911 1.00 0.00 C ATOM 127 O ILE A 12 0.173 -3.454 4.816 1.00 0.00 O ATOM 128 CB ILE A 12 0.844 -6.312 3.569 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.749 -7.095 2.615 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.396 -7.113 3.971 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.925 -8.003 1.700 1.00 0.00 C ATOM 0 H ILE A 12 2.337 -4.098 3.270 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.181 -5.190 2.110 1.00 0.00 H new ATOM 0 HB ILE A 12 1.417 -6.129 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.335 -6.401 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.456 -7.695 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.090 -8.069 4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.967 -6.553 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.016 -7.289 3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.592 -8.548 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.359 -8.711 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.237 -7.397 1.111 1.00 0.00 H new ATOM 143 N ALA A 13 -1.676 -4.070 3.667 1.00 0.00 N ATOM 144 CA ALA A 13 -2.582 -3.281 4.484 1.00 0.00 C ATOM 145 C ALA A 13 -2.761 -3.961 5.843 1.00 0.00 C ATOM 146 O ALA A 13 -3.385 -5.017 5.934 1.00 0.00 O ATOM 147 CB ALA A 13 -3.908 -3.097 3.744 1.00 0.00 C ATOM 0 H ALA A 13 -2.125 -4.593 2.915 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.170 -2.288 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.588 -2.505 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.729 -2.582 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.353 -4.072 3.547 1.00 0.00 H new ATOM 153 N LEU A 14 -2.203 -3.329 6.864 1.00 0.00 N ATOM 154 CA LEU A 14 -2.293 -3.860 8.214 1.00 0.00 C ATOM 155 C LEU A 14 -3.750 -3.815 8.678 1.00 0.00 C ATOM 156 O LEU A 14 -4.262 -4.791 9.225 1.00 0.00 O ATOM 157 CB LEU A 14 -1.327 -3.124 9.145 1.00 0.00 C ATOM 158 CG LEU A 14 0.162 -3.384 8.907 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.022 -2.531 9.841 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.485 -4.874 9.032 1.00 0.00 C ATOM 0 H LEU A 14 -1.686 -2.453 6.784 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.984 -4.905 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.508 -2.053 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.564 -3.399 10.173 1.00 0.00 H new ATOM 0 HG LEU A 14 0.402 -3.087 7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.076 -2.734 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.818 -1.476 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.786 -2.774 10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.550 -5.031 8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.226 -5.220 10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.090 -5.434 8.294 1.00 0.00 H new ATOM 172 N TYR A 15 -4.377 -2.671 8.444 1.00 0.00 N ATOM 173 CA TYR A 15 -5.765 -2.486 8.832 1.00 0.00 C ATOM 174 C TYR A 15 -6.585 -1.910 7.676 1.00 0.00 C ATOM 175 O TYR A 15 -6.039 -1.258 6.787 1.00 0.00 O ATOM 176 CB TYR A 15 -5.750 -1.478 9.983 1.00 0.00 C ATOM 177 CG TYR A 15 -4.637 -1.716 11.005 1.00 0.00 C ATOM 178 CD1 TYR A 15 -4.848 -2.570 12.068 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.422 -1.077 10.863 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.800 -2.795 13.030 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.374 -1.301 11.825 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.615 -2.149 12.861 1.00 0.00 C ATOM 183 OH TYR A 15 -1.625 -2.361 13.770 1.00 0.00 O ATOM 0 H TYR A 15 -3.949 -1.863 7.991 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.215 -3.438 9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.643 -0.474 9.572 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.712 -1.512 10.494 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.799 -3.070 12.179 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.257 -0.409 10.031 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.952 -3.461 13.866 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.419 -0.807 11.726 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.836 -1.836 13.522 1.00 0.00 H new ATOM 193 N PRO A 16 -7.917 -2.179 7.726 1.00 0.00 N ATOM 194 CA PRO A 16 -8.818 -1.695 6.694 1.00 0.00 C ATOM 195 C PRO A 16 -9.080 -0.196 6.853 1.00 0.00 C ATOM 196 O PRO A 16 -9.766 0.223 7.784 1.00 0.00 O ATOM 197 CB PRO A 16 -10.076 -2.536 6.843 1.00 0.00 C ATOM 198 CG PRO A 16 -10.013 -3.136 8.238 1.00 0.00 C ATOM 199 CD PRO A 16 -8.599 -2.948 8.763 1.00 0.00 C ATOM 0 HA PRO A 16 -8.402 -1.798 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.971 -1.926 6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.116 -3.317 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.732 -2.649 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.272 -4.194 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.598 -2.417 9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.109 -3.907 8.932 1.00 0.00 H new ATOM 207 N TYR A 17 -8.519 0.571 5.930 1.00 0.00 N ATOM 208 CA TYR A 17 -8.683 2.015 5.956 1.00 0.00 C ATOM 209 C TYR A 17 -9.766 2.462 4.972 1.00 0.00 C ATOM 210 O TYR A 17 -9.621 2.289 3.763 1.00 0.00 O ATOM 211 CB TYR A 17 -7.339 2.600 5.517 1.00 0.00 C ATOM 212 CG TYR A 17 -7.316 4.129 5.457 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.345 4.866 6.623 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.266 4.770 4.236 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.323 6.304 6.566 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.244 6.209 4.179 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.274 6.905 5.347 1.00 0.00 C ATOM 218 OH TYR A 17 -7.253 8.264 5.293 1.00 0.00 O ATOM 0 H TYR A 17 -7.950 0.220 5.159 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.980 2.349 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.565 2.262 6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.086 2.204 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.384 4.364 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.243 4.193 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.345 6.893 7.471 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.205 6.724 3.230 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.361 8.567 5.022 1.00 0.00 H new ATOM 228 N SER A 18 -10.828 3.028 5.527 1.00 0.00 N ATOM 229 CA SER A 18 -11.935 3.501 4.713 1.00 0.00 C ATOM 230 C SER A 18 -12.053 5.022 4.824 1.00 0.00 C ATOM 231 O SER A 18 -11.892 5.583 5.907 1.00 0.00 O ATOM 232 CB SER A 18 -13.248 2.834 5.129 1.00 0.00 C ATOM 233 OG SER A 18 -13.387 2.766 6.546 1.00 0.00 O ATOM 0 H SER A 18 -10.945 3.170 6.530 1.00 0.00 H new ATOM 0 HA SER A 18 -11.736 3.234 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.086 3.390 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.292 1.828 4.712 1.00 0.00 H new ATOM 0 HG SER A 18 -14.238 2.335 6.771 1.00 0.00 H new ATOM 295 N GLY A 23 -9.460 10.817 -3.392 1.00 0.00 N ATOM 296 CA GLY A 23 -8.019 10.966 -3.497 1.00 0.00 C ATOM 297 C GLY A 23 -7.296 9.910 -2.658 1.00 0.00 C ATOM 298 O GLY A 23 -6.270 9.376 -3.076 1.00 0.00 O ATOM 0 HA2 GLY A 23 -7.716 10.877 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.728 11.962 -3.164 1.00 0.00 H new ATOM 302 N ASP A 24 -7.860 9.641 -1.490 1.00 0.00 N ATOM 303 CA ASP A 24 -7.282 8.659 -0.589 1.00 0.00 C ATOM 304 C ASP A 24 -7.610 7.253 -1.095 1.00 0.00 C ATOM 305 O ASP A 24 -8.772 6.931 -1.336 1.00 0.00 O ATOM 306 CB ASP A 24 -7.858 8.799 0.822 1.00 0.00 C ATOM 307 CG ASP A 24 -7.459 10.079 1.558 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.501 11.145 0.907 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.122 9.963 2.757 1.00 0.00 O ATOM 0 H ASP A 24 -8.711 10.086 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.205 8.824 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.945 8.757 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.539 7.942 1.415 1.00 0.00 H new ATOM 314 N LEU A 25 -6.564 6.452 -1.242 1.00 0.00 N ATOM 315 CA LEU A 25 -6.727 5.088 -1.716 1.00 0.00 C ATOM 316 C LEU A 25 -7.388 4.248 -0.621 1.00 0.00 C ATOM 317 O LEU A 25 -6.798 4.021 0.434 1.00 0.00 O ATOM 318 CB LEU A 25 -5.388 4.526 -2.199 1.00 0.00 C ATOM 319 CG LEU A 25 -5.431 3.124 -2.810 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.828 3.182 -4.286 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.103 2.394 -2.602 1.00 0.00 C ATOM 0 H LEU A 25 -5.601 6.722 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.389 5.061 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.975 5.211 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.697 4.513 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.199 2.549 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.851 2.173 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.815 3.635 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.101 3.780 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.161 1.400 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.300 2.957 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.901 2.304 -1.535 1.00 0.00 H new ATOM 333 N THR A 26 -8.604 3.809 -0.910 1.00 0.00 N ATOM 334 CA THR A 26 -9.352 2.999 0.036 1.00 0.00 C ATOM 335 C THR A 26 -9.070 1.513 -0.194 1.00 0.00 C ATOM 336 O THR A 26 -9.060 1.049 -1.333 1.00 0.00 O ATOM 337 CB THR A 26 -10.832 3.365 -0.094 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.111 3.192 -1.481 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.092 4.852 0.157 1.00 0.00 C ATOM 0 H THR A 26 -9.090 3.999 -1.786 1.00 0.00 H new ATOM 0 HA THR A 26 -9.042 3.201 1.061 1.00 0.00 H new ATOM 0 HB THR A 26 -11.416 2.772 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.051 3.407 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.157 5.058 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.769 5.113 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.535 5.446 -0.567 1.00 0.00 H new ATOM 347 N PHE A 27 -8.849 0.808 0.905 1.00 0.00 N ATOM 348 CA PHE A 27 -8.568 -0.616 0.837 1.00 0.00 C ATOM 349 C PHE A 27 -8.971 -1.317 2.136 1.00 0.00 C ATOM 350 O PHE A 27 -9.560 -0.699 3.022 1.00 0.00 O ATOM 351 CB PHE A 27 -7.058 -0.765 0.639 1.00 0.00 C ATOM 352 CG PHE A 27 -6.217 0.032 1.638 1.00 0.00 C ATOM 353 CD1 PHE A 27 -6.105 -0.394 2.925 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.583 1.167 1.239 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.324 0.346 3.852 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.802 1.907 2.167 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.690 1.481 3.453 1.00 0.00 C ATOM 0 H PHE A 27 -8.859 1.196 1.848 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.132 -1.068 0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.794 -1.820 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.801 -0.447 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.610 -1.295 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.673 1.506 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.234 0.007 4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.297 2.808 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.097 2.044 4.158 1.00 0.00 H new ATOM 367 N THR A 28 -8.638 -2.597 2.208 1.00 0.00 N ATOM 368 CA THR A 28 -8.958 -3.389 3.383 1.00 0.00 C ATOM 369 C THR A 28 -7.740 -4.201 3.827 1.00 0.00 C ATOM 370 O THR A 28 -6.848 -4.477 3.026 1.00 0.00 O ATOM 371 CB THR A 28 -10.177 -4.253 3.054 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.962 -4.657 1.704 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.473 -3.441 2.998 1.00 0.00 C ATOM 0 H THR A 28 -8.149 -3.106 1.471 1.00 0.00 H new ATOM 0 HA THR A 28 -9.212 -2.753 4.231 1.00 0.00 H new ATOM 0 HB THR A 28 -10.275 -5.041 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.706 -5.223 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.307 -4.102 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.648 -2.968 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.389 -2.674 2.229 1.00 0.00 H new ATOM 381 N GLU A 29 -7.742 -4.562 5.102 1.00 0.00 N ATOM 382 CA GLU A 29 -6.648 -5.337 5.662 1.00 0.00 C ATOM 383 C GLU A 29 -6.412 -6.600 4.832 1.00 0.00 C ATOM 384 O GLU A 29 -7.350 -7.344 4.548 1.00 0.00 O ATOM 385 CB GLU A 29 -6.917 -5.686 7.127 1.00 0.00 C ATOM 386 CG GLU A 29 -6.017 -6.833 7.592 1.00 0.00 C ATOM 387 CD GLU A 29 -6.819 -8.125 7.762 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.872 -8.231 7.097 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.360 -8.977 8.553 1.00 0.00 O ATOM 0 H GLU A 29 -8.484 -4.332 5.763 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.744 -4.729 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.746 -4.809 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.963 -5.966 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.218 -6.990 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.543 -6.568 8.537 1.00 0.00 H new ATOM 396 N GLY A 30 -5.155 -6.803 4.465 1.00 0.00 N ATOM 397 CA GLY A 30 -4.785 -7.963 3.673 1.00 0.00 C ATOM 398 C GLY A 30 -4.511 -7.570 2.220 1.00 0.00 C ATOM 399 O GLY A 30 -3.747 -8.239 1.525 1.00 0.00 O ATOM 0 H GLY A 30 -4.380 -6.183 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.898 -8.432 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.585 -8.702 3.709 1.00 0.00 H new ATOM 403 N GLU A 31 -5.149 -6.486 1.803 1.00 0.00 N ATOM 404 CA GLU A 31 -4.984 -5.996 0.445 1.00 0.00 C ATOM 405 C GLU A 31 -3.519 -5.638 0.185 1.00 0.00 C ATOM 406 O GLU A 31 -2.790 -5.280 1.109 1.00 0.00 O ATOM 407 CB GLU A 31 -5.896 -4.796 0.181 1.00 0.00 C ATOM 408 CG GLU A 31 -7.324 -5.251 -0.127 1.00 0.00 C ATOM 409 CD GLU A 31 -7.456 -5.692 -1.587 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.009 -4.915 -2.457 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.001 -6.797 -1.798 1.00 0.00 O ATOM 0 H GLU A 31 -5.781 -5.933 2.382 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.273 -6.789 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.899 -4.139 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.507 -4.216 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.597 -6.075 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.020 -4.437 0.075 1.00 0.00 H new ATOM 418 N GLU A 32 -3.132 -5.748 -1.077 1.00 0.00 N ATOM 419 CA GLU A 32 -1.767 -5.441 -1.471 1.00 0.00 C ATOM 420 C GLU A 32 -1.701 -4.058 -2.121 1.00 0.00 C ATOM 421 O GLU A 32 -2.089 -3.891 -3.276 1.00 0.00 O ATOM 422 CB GLU A 32 -1.212 -6.515 -2.409 1.00 0.00 C ATOM 423 CG GLU A 32 -0.183 -7.391 -1.692 1.00 0.00 C ATOM 424 CD GLU A 32 0.103 -8.665 -2.489 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.096 -8.568 -3.736 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.323 -9.707 -1.835 1.00 0.00 O ATOM 0 H GLU A 32 -3.740 -6.045 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.145 -5.431 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.028 -7.136 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.751 -6.042 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.741 -6.831 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.551 -7.653 -0.700 1.00 0.00 H new ATOM 433 N ILE A 33 -1.206 -3.100 -1.350 1.00 0.00 N ATOM 434 CA ILE A 33 -1.084 -1.736 -1.836 1.00 0.00 C ATOM 435 C ILE A 33 0.321 -1.526 -2.405 1.00 0.00 C ATOM 436 O ILE A 33 1.314 -1.743 -1.712 1.00 0.00 O ATOM 437 CB ILE A 33 -1.457 -0.740 -0.737 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.903 -0.945 -0.280 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.198 0.698 -1.189 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.034 -0.745 1.232 1.00 0.00 C ATOM 0 H ILE A 33 -0.885 -3.242 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.788 -1.557 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.816 -0.927 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.556 -0.244 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.234 -1.948 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.472 1.386 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.141 0.820 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.796 0.915 -2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.071 -0.896 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.399 -1.463 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.725 0.267 1.493 1.00 0.00 H new ATOM 452 N LEU A 34 0.360 -1.106 -3.661 1.00 0.00 N ATOM 453 CA LEU A 34 1.626 -0.865 -4.331 1.00 0.00 C ATOM 454 C LEU A 34 1.972 0.623 -4.237 1.00 0.00 C ATOM 455 O LEU A 34 1.354 1.451 -4.905 1.00 0.00 O ATOM 456 CB LEU A 34 1.585 -1.397 -5.765 1.00 0.00 C ATOM 457 CG LEU A 34 2.683 -0.889 -6.701 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.065 -1.056 -6.065 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.596 -1.570 -8.068 1.00 0.00 C ATOM 0 H LEU A 34 -0.466 -0.926 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 34 2.428 -1.412 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.640 -2.485 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.618 -1.141 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 34 2.529 0.178 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.828 -0.687 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.108 -0.489 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.244 -2.111 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.388 -1.191 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.712 -2.647 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.627 -1.358 -8.519 1.00 0.00 H new ATOM 471 N VAL A 35 2.958 0.917 -3.402 1.00 0.00 N ATOM 472 CA VAL A 35 3.393 2.290 -3.212 1.00 0.00 C ATOM 473 C VAL A 35 4.388 2.662 -4.314 1.00 0.00 C ATOM 474 O VAL A 35 5.198 1.835 -4.729 1.00 0.00 O ATOM 475 CB VAL A 35 3.966 2.468 -1.805 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.250 3.942 -1.510 1.00 0.00 C ATOM 477 CG2 VAL A 35 3.031 1.868 -0.753 1.00 0.00 C ATOM 0 H VAL A 35 3.468 0.228 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 35 2.547 2.973 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 35 4.913 1.930 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.657 4.040 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.972 4.325 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.324 4.513 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.462 2.008 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.062 2.365 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.902 0.803 -0.946 1.00 0.00 H new ATOM 487 N THR A 36 4.294 3.908 -4.755 1.00 0.00 N ATOM 488 CA THR A 36 5.176 4.400 -5.800 1.00 0.00 C ATOM 489 C THR A 36 5.750 5.765 -5.416 1.00 0.00 C ATOM 490 O THR A 36 6.945 6.008 -5.577 1.00 0.00 O ATOM 491 CB THR A 36 4.389 4.419 -7.112 1.00 0.00 C ATOM 492 OG1 THR A 36 3.315 5.321 -6.860 1.00 0.00 O ATOM 493 CG2 THR A 36 3.696 3.086 -7.399 1.00 0.00 C ATOM 0 H THR A 36 3.621 4.591 -4.408 1.00 0.00 H new ATOM 0 HA THR A 36 6.038 3.746 -5.930 1.00 0.00 H new ATOM 0 HB THR A 36 5.062 4.663 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.755 5.394 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.152 3.154 -8.341 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.443 2.295 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.999 2.858 -6.593 1.00 0.00 H new ATOM 501 N GLN A 37 4.871 6.620 -4.914 1.00 0.00 N ATOM 502 CA GLN A 37 5.275 7.955 -4.505 1.00 0.00 C ATOM 503 C GLN A 37 5.047 8.141 -3.004 1.00 0.00 C ATOM 504 O GLN A 37 3.934 7.956 -2.514 1.00 0.00 O ATOM 505 CB GLN A 37 4.532 9.023 -5.309 1.00 0.00 C ATOM 506 CG GLN A 37 5.504 9.839 -6.165 1.00 0.00 C ATOM 507 CD GLN A 37 4.772 10.528 -7.319 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.947 11.407 -7.128 1.00 0.00 O ATOM 509 NE2 GLN A 37 5.119 10.082 -8.523 1.00 0.00 N ATOM 0 H GLN A 37 3.881 6.414 -4.781 1.00 0.00 H new ATOM 0 HA GLN A 37 6.340 8.070 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.787 8.549 -5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.994 9.686 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.000 10.587 -5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.282 9.186 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.817 9.343 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.687 10.479 -9.358 1.00 0.00 H new ATOM 518 N LYS A 38 6.119 8.506 -2.315 1.00 0.00 N ATOM 519 CA LYS A 38 6.049 8.720 -0.880 1.00 0.00 C ATOM 520 C LYS A 38 6.137 10.219 -0.587 1.00 0.00 C ATOM 521 O LYS A 38 7.218 10.803 -0.637 1.00 0.00 O ATOM 522 CB LYS A 38 7.116 7.890 -0.162 1.00 0.00 C ATOM 523 CG LYS A 38 6.931 6.398 -0.445 1.00 0.00 C ATOM 524 CD LYS A 38 7.487 5.550 0.701 1.00 0.00 C ATOM 525 CE LYS A 38 7.781 4.123 0.234 1.00 0.00 C ATOM 526 NZ LYS A 38 9.012 4.088 -0.586 1.00 0.00 N ATOM 0 H LYS A 38 7.041 8.659 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 38 5.092 8.374 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.107 8.205 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.061 8.070 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.872 6.179 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.436 6.135 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.399 6.006 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.771 5.527 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.894 3.468 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.940 3.744 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.855 3.491 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.254 5.053 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.793 3.696 -0.023 1.00 0.00 H new ATOM 540 N ASP A 39 4.984 10.799 -0.288 1.00 0.00 N ATOM 541 CA ASP A 39 4.916 12.219 0.013 1.00 0.00 C ATOM 542 C ASP A 39 4.749 12.409 1.522 1.00 0.00 C ATOM 543 O ASP A 39 3.659 12.214 2.059 1.00 0.00 O ATOM 544 CB ASP A 39 3.720 12.873 -0.681 1.00 0.00 C ATOM 545 CG ASP A 39 3.995 14.255 -1.278 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.650 15.056 -0.576 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.543 14.480 -2.421 1.00 0.00 O ATOM 0 H ASP A 39 4.089 10.311 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 39 5.836 12.683 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.375 12.212 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.905 12.960 0.038 1.00 0.00 H new ATOM 552 N GLY A 40 5.845 12.787 2.164 1.00 0.00 N ATOM 553 CA GLY A 40 5.833 13.005 3.600 1.00 0.00 C ATOM 554 C GLY A 40 5.396 11.742 4.343 1.00 0.00 C ATOM 555 O GLY A 40 6.026 10.693 4.217 1.00 0.00 O ATOM 0 H GLY A 40 6.747 12.948 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.827 13.302 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.157 13.825 3.841 1.00 0.00 H new ATOM 559 N GLU A 41 4.319 11.883 5.103 1.00 0.00 N ATOM 560 CA GLU A 41 3.791 10.765 5.866 1.00 0.00 C ATOM 561 C GLU A 41 2.711 10.037 5.063 1.00 0.00 C ATOM 562 O GLU A 41 2.436 8.864 5.308 1.00 0.00 O ATOM 563 CB GLU A 41 3.247 11.233 7.218 1.00 0.00 C ATOM 564 CG GLU A 41 3.227 10.084 8.228 1.00 0.00 C ATOM 565 CD GLU A 41 2.878 10.592 9.629 1.00 0.00 C ATOM 566 OE1 GLU A 41 3.425 11.652 10.001 1.00 0.00 O ATOM 567 OE2 GLU A 41 2.073 9.907 10.296 1.00 0.00 O ATOM 0 H GLU A 41 3.798 12.754 5.206 1.00 0.00 H new ATOM 0 HA GLU A 41 4.605 10.066 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.863 12.047 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.239 11.628 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.499 9.334 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.201 9.594 8.247 1.00 0.00 H new ATOM 574 N TRP A 42 2.128 10.764 4.122 1.00 0.00 N ATOM 575 CA TRP A 42 1.084 10.203 3.281 1.00 0.00 C ATOM 576 C TRP A 42 1.718 9.790 1.952 1.00 0.00 C ATOM 577 O TRP A 42 2.078 10.642 1.141 1.00 0.00 O ATOM 578 CB TRP A 42 -0.073 11.189 3.111 1.00 0.00 C ATOM 579 CG TRP A 42 -0.934 11.361 4.365 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.674 12.107 5.447 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.212 10.741 4.622 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.687 12.013 6.380 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.652 11.157 5.862 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.970 9.859 3.833 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.865 10.741 6.424 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.180 9.453 4.409 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.637 9.862 5.656 1.00 0.00 C ATOM 0 H TRP A 42 2.359 11.737 3.923 1.00 0.00 H new ATOM 0 HA TRP A 42 0.647 9.320 3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.330 12.160 2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.707 10.852 2.291 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.216 12.706 5.573 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.721 12.485 7.284 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.645 9.521 2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.187 11.080 7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.802 8.774 3.844 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.584 9.503 6.031 1.00 0.00 H new ATOM 598 N TRP A 43 1.836 8.483 1.769 1.00 0.00 N ATOM 599 CA TRP A 43 2.421 7.947 0.551 1.00 0.00 C ATOM 600 C TRP A 43 1.281 7.608 -0.411 1.00 0.00 C ATOM 601 O TRP A 43 0.122 7.534 -0.005 1.00 0.00 O ATOM 602 CB TRP A 43 3.322 6.749 0.857 1.00 0.00 C ATOM 603 CG TRP A 43 4.328 6.998 1.982 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.895 8.158 2.340 1.00 0.00 C ATOM 605 CD2 TRP A 43 4.866 6.012 2.888 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.756 7.993 3.406 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.738 6.646 3.750 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.624 4.630 2.977 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.438 5.978 4.762 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.331 3.976 3.993 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.213 4.600 4.869 1.00 0.00 C ATOM 0 H TRP A 43 1.536 7.779 2.444 1.00 0.00 H new ATOM 0 HA TRP A 43 3.069 8.684 0.077 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.697 5.897 1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.865 6.475 -0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.702 9.104 1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.304 8.725 3.858 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.946 4.113 2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.115 6.497 5.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.181 2.912 4.104 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.722 4.024 5.628 1.00 0.00 H new ATOM 622 N THR A 44 1.649 7.411 -1.668 1.00 0.00 N ATOM 623 CA THR A 44 0.672 7.081 -2.692 1.00 0.00 C ATOM 624 C THR A 44 0.713 5.584 -3.005 1.00 0.00 C ATOM 625 O THR A 44 1.719 5.077 -3.498 1.00 0.00 O ATOM 626 CB THR A 44 0.947 7.965 -3.910 1.00 0.00 C ATOM 627 OG1 THR A 44 0.404 9.232 -3.549 1.00 0.00 O ATOM 628 CG2 THR A 44 0.130 7.545 -5.134 1.00 0.00 C ATOM 0 H THR A 44 2.611 7.474 -2.001 1.00 0.00 H new ATOM 0 HA THR A 44 -0.343 7.282 -2.350 1.00 0.00 H new ATOM 0 HB THR A 44 2.009 7.929 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.541 9.867 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.362 8.204 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.378 6.518 -5.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.933 7.613 -4.903 1.00 0.00 H new ATOM 636 N GLY A 45 -0.394 4.919 -2.707 1.00 0.00 N ATOM 637 CA GLY A 45 -0.497 3.491 -2.951 1.00 0.00 C ATOM 638 C GLY A 45 -1.385 3.204 -4.164 1.00 0.00 C ATOM 639 O GLY A 45 -2.061 4.100 -4.667 1.00 0.00 O ATOM 0 H GLY A 45 -1.227 5.343 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.496 3.074 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.907 2.997 -2.070 1.00 0.00 H new ATOM 643 N SER A 46 -1.354 1.953 -4.597 1.00 0.00 N ATOM 644 CA SER A 46 -2.147 1.537 -5.741 1.00 0.00 C ATOM 645 C SER A 46 -2.624 0.096 -5.552 1.00 0.00 C ATOM 646 O SER A 46 -1.991 -0.683 -4.840 1.00 0.00 O ATOM 647 CB SER A 46 -1.350 1.666 -7.041 1.00 0.00 C ATOM 648 OG SER A 46 -0.653 2.906 -7.119 1.00 0.00 O ATOM 0 H SER A 46 -0.792 1.213 -4.176 1.00 0.00 H new ATOM 0 HA SER A 46 -3.014 2.194 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.637 0.844 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.026 1.576 -7.891 1.00 0.00 H new ATOM 0 HG SER A 46 -0.155 2.949 -7.962 1.00 0.00 H new ATOM 654 N ILE A 47 -3.737 -0.216 -6.201 1.00 0.00 N ATOM 655 CA ILE A 47 -4.306 -1.549 -6.112 1.00 0.00 C ATOM 656 C ILE A 47 -4.791 -1.985 -7.497 1.00 0.00 C ATOM 657 O ILE A 47 -5.765 -1.441 -8.016 1.00 0.00 O ATOM 658 CB ILE A 47 -5.392 -1.598 -5.036 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.792 -1.406 -3.642 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.206 -2.890 -5.137 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.848 -0.907 -2.654 1.00 0.00 C ATOM 0 H ILE A 47 -4.259 0.432 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.548 -2.267 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.080 -0.770 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.375 -2.349 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.969 -0.693 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.971 -2.900 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.682 -2.945 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.546 -3.747 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.395 -0.779 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.245 0.048 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.657 -1.634 -2.588 1.00 0.00 H new ATOM 673 N GLY A 48 -4.091 -2.961 -8.054 1.00 0.00 N ATOM 674 CA GLY A 48 -4.438 -3.476 -9.368 1.00 0.00 C ATOM 675 C GLY A 48 -4.234 -2.410 -10.446 1.00 0.00 C ATOM 676 O GLY A 48 -3.311 -2.507 -11.253 1.00 0.00 O ATOM 0 H GLY A 48 -3.284 -3.410 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.825 -4.349 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.477 -3.807 -9.370 1.00 0.00 H new ATOM 680 N ASP A 49 -5.110 -1.416 -10.424 1.00 0.00 N ATOM 681 CA ASP A 49 -5.037 -0.333 -11.390 1.00 0.00 C ATOM 682 C ASP A 49 -5.657 0.928 -10.783 1.00 0.00 C ATOM 683 O ASP A 49 -6.134 1.800 -11.508 1.00 0.00 O ATOM 684 CB ASP A 49 -5.814 -0.676 -12.663 1.00 0.00 C ATOM 685 CG ASP A 49 -5.052 -1.536 -13.673 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.815 -1.372 -13.739 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.724 -2.338 -14.357 1.00 0.00 O ATOM 0 H ASP A 49 -5.874 -1.338 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.988 -0.174 -11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.730 -1.197 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.112 0.252 -13.150 1.00 0.00 H new ATOM 692 N ARG A 50 -5.630 0.984 -9.460 1.00 0.00 N ATOM 693 CA ARG A 50 -6.183 2.123 -8.748 1.00 0.00 C ATOM 694 C ARG A 50 -5.060 3.045 -8.267 1.00 0.00 C ATOM 695 O ARG A 50 -3.891 2.665 -8.284 1.00 0.00 O ATOM 696 CB ARG A 50 -7.012 1.671 -7.544 1.00 0.00 C ATOM 697 CG ARG A 50 -7.968 0.540 -7.931 1.00 0.00 C ATOM 698 CD ARG A 50 -8.462 -0.208 -6.691 1.00 0.00 C ATOM 699 NE ARG A 50 -9.925 -0.415 -6.774 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.606 -1.284 -6.015 1.00 0.00 C ATOM 701 NH1 ARG A 50 -9.959 -2.033 -5.111 1.00 0.00 N ATOM 702 NH2 ARG A 50 -11.932 -1.405 -6.160 1.00 0.00 N ATOM 0 H ARG A 50 -5.234 0.259 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.831 2.663 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.349 1.335 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.580 2.514 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.819 0.949 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.463 -0.155 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.954 -1.169 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.217 0.359 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.448 0.139 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.949 -1.941 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.477 -2.695 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.424 -0.835 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.450 -2.067 -5.582 1.00 0.00 H new ATOM 716 N SER A 51 -5.456 4.239 -7.850 1.00 0.00 N ATOM 717 CA SER A 51 -4.497 5.217 -7.366 1.00 0.00 C ATOM 718 C SER A 51 -5.131 6.069 -6.264 1.00 0.00 C ATOM 719 O SER A 51 -6.335 6.320 -6.283 1.00 0.00 O ATOM 720 CB SER A 51 -3.997 6.108 -8.504 1.00 0.00 C ATOM 721 OG SER A 51 -4.638 5.806 -9.740 1.00 0.00 O ATOM 0 H SER A 51 -6.427 4.551 -7.837 1.00 0.00 H new ATOM 0 HA SER A 51 -3.640 4.683 -6.956 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.173 7.153 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.920 5.984 -8.615 1.00 0.00 H new ATOM 0 HG SER A 51 -4.293 6.398 -10.441 1.00 0.00 H new ATOM 727 N GLY A 52 -4.291 6.491 -5.330 1.00 0.00 N ATOM 728 CA GLY A 52 -4.754 7.310 -4.222 1.00 0.00 C ATOM 729 C GLY A 52 -3.683 7.419 -3.136 1.00 0.00 C ATOM 730 O GLY A 52 -2.608 6.834 -3.258 1.00 0.00 O ATOM 0 H GLY A 52 -3.293 6.281 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.013 8.305 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.662 6.878 -3.800 1.00 0.00 H new ATOM 734 N ILE A 53 -4.013 8.173 -2.097 1.00 0.00 N ATOM 735 CA ILE A 53 -3.092 8.366 -0.990 1.00 0.00 C ATOM 736 C ILE A 53 -3.550 7.523 0.202 1.00 0.00 C ATOM 737 O ILE A 53 -4.721 7.157 0.294 1.00 0.00 O ATOM 738 CB ILE A 53 -2.944 9.855 -0.670 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.245 10.424 -0.099 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.467 10.635 -1.896 1.00 0.00 C ATOM 741 CD1 ILE A 53 -3.972 11.665 0.754 1.00 0.00 C ATOM 0 H ILE A 53 -4.905 8.657 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.094 8.021 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.179 9.965 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.923 10.680 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.744 9.666 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.370 11.690 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.500 10.250 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.190 10.522 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.913 12.050 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.313 11.400 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.495 12.430 0.141 1.00 0.00 H new ATOM 753 N PHE A 54 -2.603 7.240 1.084 1.00 0.00 N ATOM 754 CA PHE A 54 -2.895 6.447 2.266 1.00 0.00 C ATOM 755 C PHE A 54 -1.921 6.773 3.400 1.00 0.00 C ATOM 756 O PHE A 54 -0.851 7.332 3.162 1.00 0.00 O ATOM 757 CB PHE A 54 -2.726 4.978 1.872 1.00 0.00 C ATOM 758 CG PHE A 54 -1.277 4.569 1.599 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.431 4.331 2.637 1.00 0.00 C ATOM 760 CD2 PHE A 54 -0.835 4.444 0.319 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.914 3.951 2.384 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.509 4.065 0.066 1.00 0.00 C ATOM 763 CZ PHE A 54 1.355 3.826 1.104 1.00 0.00 C ATOM 0 H PHE A 54 -1.633 7.546 1.004 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.904 6.661 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.126 4.351 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.322 4.781 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.782 4.431 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.507 4.633 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.586 3.761 3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.860 3.966 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.378 3.537 0.911 1.00 0.00 H new ATOM 773 N PRO A 55 -2.337 6.401 4.640 1.00 0.00 N ATOM 774 CA PRO A 55 -1.513 6.649 5.811 1.00 0.00 C ATOM 775 C PRO A 55 -0.340 5.669 5.873 1.00 0.00 C ATOM 776 O PRO A 55 -0.538 4.456 5.866 1.00 0.00 O ATOM 777 CB PRO A 55 -2.460 6.517 6.993 1.00 0.00 C ATOM 778 CG PRO A 55 -3.665 5.748 6.478 1.00 0.00 C ATOM 779 CD PRO A 55 -3.597 5.738 4.959 1.00 0.00 C ATOM 0 HA PRO A 55 -1.048 7.635 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.983 5.988 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.754 7.497 7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.663 4.730 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.590 6.216 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.619 4.721 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.444 6.266 4.521 1.00 0.00 H new ATOM 787 N SER A 56 0.858 6.233 5.932 1.00 0.00 N ATOM 788 CA SER A 56 2.064 5.424 5.996 1.00 0.00 C ATOM 789 C SER A 56 2.190 4.780 7.378 1.00 0.00 C ATOM 790 O SER A 56 3.180 4.990 8.076 1.00 0.00 O ATOM 791 CB SER A 56 3.306 6.262 5.685 1.00 0.00 C ATOM 792 OG SER A 56 3.551 7.244 6.688 1.00 0.00 O ATOM 0 H SER A 56 1.019 7.240 5.937 1.00 0.00 H new ATOM 0 HA SER A 56 1.990 4.640 5.243 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.173 5.607 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.180 6.753 4.720 1.00 0.00 H new ATOM 0 HG SER A 56 3.298 8.128 6.349 1.00 0.00 H new ATOM 798 N ASN A 57 1.172 4.008 7.730 1.00 0.00 N ATOM 799 CA ASN A 57 1.157 3.332 9.016 1.00 0.00 C ATOM 800 C ASN A 57 0.310 2.062 8.910 1.00 0.00 C ATOM 801 O ASN A 57 0.699 1.008 9.411 1.00 0.00 O ATOM 802 CB ASN A 57 0.541 4.221 10.099 1.00 0.00 C ATOM 803 CG ASN A 57 0.478 3.487 11.440 1.00 0.00 C ATOM 804 OD1 ASN A 57 1.480 3.243 12.091 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.753 3.151 11.815 1.00 0.00 N ATOM 0 H ASN A 57 0.353 3.836 7.148 1.00 0.00 H new ATOM 0 HA ASN A 57 2.187 3.097 9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.131 5.132 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.462 4.524 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.901 2.658 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.549 3.386 11.222 1.00 0.00 H new ATOM 812 N TYR A 58 -0.832 2.204 8.253 1.00 0.00 N ATOM 813 CA TYR A 58 -1.736 1.081 8.074 1.00 0.00 C ATOM 814 C TYR A 58 -1.213 0.120 7.005 1.00 0.00 C ATOM 815 O TYR A 58 -1.877 -0.858 6.666 1.00 0.00 O ATOM 816 CB TYR A 58 -3.062 1.679 7.600 1.00 0.00 C ATOM 817 CG TYR A 58 -3.881 2.337 8.712 1.00 0.00 C ATOM 818 CD1 TYR A 58 -3.318 3.327 9.491 1.00 0.00 C ATOM 819 CD2 TYR A 58 -5.184 1.940 8.937 1.00 0.00 C ATOM 820 CE1 TYR A 58 -4.089 3.946 10.538 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.955 2.559 9.984 1.00 0.00 C ATOM 822 CZ TYR A 58 -5.369 3.531 10.733 1.00 0.00 C ATOM 823 OH TYR A 58 -6.097 4.115 11.722 1.00 0.00 O ATOM 0 H TYR A 58 -1.152 3.079 7.838 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.838 0.519 9.003 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.859 2.419 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.660 0.892 7.140 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.299 3.638 9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.625 1.165 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.660 4.722 11.154 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.975 2.258 10.170 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.994 3.720 11.745 1.00 0.00 H new ATOM 833 N VAL A 59 -0.027 0.432 6.503 1.00 0.00 N ATOM 834 CA VAL A 59 0.593 -0.391 5.479 1.00 0.00 C ATOM 835 C VAL A 59 1.969 -0.851 5.965 1.00 0.00 C ATOM 836 O VAL A 59 2.697 -0.085 6.596 1.00 0.00 O ATOM 837 CB VAL A 59 0.651 0.375 4.156 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.750 0.779 3.695 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.565 1.596 4.269 1.00 0.00 C ATOM 0 H VAL A 59 0.521 1.244 6.787 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.002 -1.285 5.295 1.00 0.00 H new ATOM 0 HB VAL A 59 1.073 -0.290 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.680 1.322 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.359 -0.114 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.211 1.418 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.588 2.123 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.186 2.264 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.573 1.273 4.530 1.00 0.00 H new ATOM 849 N LYS A 60 2.285 -2.099 5.653 1.00 0.00 N ATOM 850 CA LYS A 60 3.561 -2.670 6.050 1.00 0.00 C ATOM 851 C LYS A 60 4.342 -3.081 4.800 1.00 0.00 C ATOM 852 O LYS A 60 3.757 -3.281 3.736 1.00 0.00 O ATOM 853 CB LYS A 60 3.351 -3.811 7.046 1.00 0.00 C ATOM 854 CG LYS A 60 2.756 -5.040 6.355 1.00 0.00 C ATOM 855 CD LYS A 60 2.947 -6.295 7.209 1.00 0.00 C ATOM 856 CE LYS A 60 3.562 -7.430 6.387 1.00 0.00 C ATOM 857 NZ LYS A 60 3.584 -8.685 7.170 1.00 0.00 N ATOM 0 H LYS A 60 1.679 -2.731 5.130 1.00 0.00 H new ATOM 0 HA LYS A 60 4.164 -1.928 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.302 -4.074 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.688 -3.483 7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.694 -4.879 6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.230 -5.181 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.591 -6.067 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.986 -6.614 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.989 -7.576 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.576 -7.163 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.004 -9.444 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.150 -8.547 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.613 -8.947 7.433 1.00 0.00 H new ATOM 871 N PRO A 61 5.685 -3.197 4.974 1.00 0.00 N ATOM 872 CA PRO A 61 6.552 -3.581 3.872 1.00 0.00 C ATOM 873 C PRO A 61 6.427 -5.076 3.571 1.00 0.00 C ATOM 874 O PRO A 61 6.718 -5.912 4.425 1.00 0.00 O ATOM 875 CB PRO A 61 7.950 -3.180 4.314 1.00 0.00 C ATOM 876 CG PRO A 61 7.879 -3.015 5.823 1.00 0.00 C ATOM 877 CD PRO A 61 6.412 -2.968 6.219 1.00 0.00 C ATOM 0 HA PRO A 61 6.287 -3.088 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.680 -3.941 4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.260 -2.252 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.382 -3.843 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.387 -2.101 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.177 -3.731 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.151 -2.005 6.659 1.00 0.00 H new ATOM 885 N LYS A 62 5.993 -5.366 2.353 1.00 0.00 N ATOM 886 CA LYS A 62 5.826 -6.746 1.928 1.00 0.00 C ATOM 887 C LYS A 62 7.140 -7.502 2.134 1.00 0.00 C ATOM 888 O LYS A 62 8.043 -7.422 1.303 1.00 0.00 O ATOM 889 CB LYS A 62 5.302 -6.804 0.491 1.00 0.00 C ATOM 890 CG LYS A 62 4.188 -7.844 0.356 1.00 0.00 C ATOM 891 CD LYS A 62 3.307 -7.549 -0.860 1.00 0.00 C ATOM 892 CE LYS A 62 3.956 -8.066 -2.146 1.00 0.00 C ATOM 893 NZ LYS A 62 3.135 -7.704 -3.322 1.00 0.00 N ATOM 0 H LYS A 62 5.752 -4.670 1.648 1.00 0.00 H new ATOM 0 HA LYS A 62 5.073 -7.244 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.927 -5.824 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.118 -7.050 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.624 -8.839 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.578 -7.848 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.331 -8.016 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.139 -6.475 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.956 -7.646 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.069 -9.149 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.741 -7.649 -4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.402 -8.427 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.683 -6.781 -3.159 1.00 0.00 H new