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 -87:sc= 0.0478 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -100:sc= 0.433 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.349 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 37 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= -0.274 (180deg=-1.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -5:sc= 1 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -116:sc= 1.09 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= -0.323 (180deg=-0.323) USER MOD Single : A 62 LYS NZ :NH3+ -114:sc= -0.947 (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 8.587 0.324 -7.414 1.00 0.00 N ATOM 67 CA GLY A 8 7.483 0.307 -6.469 1.00 0.00 C ATOM 68 C GLY A 8 7.750 -0.682 -5.332 1.00 0.00 C ATOM 69 O GLY A 8 8.333 -1.743 -5.551 1.00 0.00 O ATOM 0 HA2 GLY A 8 7.335 1.306 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.562 0.034 -6.985 1.00 0.00 H new ATOM 73 N GLU A 9 7.310 -0.299 -4.142 1.00 0.00 N ATOM 74 CA GLU A 9 7.494 -1.139 -2.971 1.00 0.00 C ATOM 75 C GLU A 9 6.156 -1.735 -2.529 1.00 0.00 C ATOM 76 O GLU A 9 5.213 -1.002 -2.236 1.00 0.00 O ATOM 77 CB GLU A 9 8.148 -0.355 -1.831 1.00 0.00 C ATOM 78 CG GLU A 9 9.672 -0.362 -1.965 1.00 0.00 C ATOM 79 CD GLU A 9 10.335 0.211 -0.710 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.936 -0.225 0.391 1.00 0.00 O ATOM 81 OE2 GLU A 9 11.226 1.071 -0.881 1.00 0.00 O ATOM 0 H GLU A 9 6.827 0.581 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 9 8.164 -1.957 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.784 0.672 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.861 -0.791 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.021 -1.381 -2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.967 0.223 -2.836 1.00 0.00 H new ATOM 88 N GLU A 10 6.116 -3.059 -2.496 1.00 0.00 N ATOM 89 CA GLU A 10 4.909 -3.762 -2.096 1.00 0.00 C ATOM 90 C GLU A 10 4.690 -3.622 -0.588 1.00 0.00 C ATOM 91 O GLU A 10 5.620 -3.797 0.197 1.00 0.00 O ATOM 92 CB GLU A 10 4.970 -5.234 -2.507 1.00 0.00 C ATOM 93 CG GLU A 10 4.880 -5.383 -4.027 1.00 0.00 C ATOM 94 CD GLU A 10 3.678 -6.242 -4.424 1.00 0.00 C ATOM 95 OE1 GLU A 10 2.579 -5.957 -3.901 1.00 0.00 O ATOM 96 OE2 GLU A 10 3.885 -7.166 -5.240 1.00 0.00 O ATOM 0 H GLU A 10 6.900 -3.664 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 10 4.061 -3.311 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.899 -5.677 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.154 -5.781 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.796 -4.399 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.796 -5.836 -4.406 1.00 0.00 H new ATOM 103 N TYR A 11 3.454 -3.309 -0.229 1.00 0.00 N ATOM 104 CA TYR A 11 3.100 -3.144 1.171 1.00 0.00 C ATOM 105 C TYR A 11 1.770 -3.833 1.486 1.00 0.00 C ATOM 106 O TYR A 11 0.859 -3.836 0.660 1.00 0.00 O ATOM 107 CB TYR A 11 2.945 -1.638 1.392 1.00 0.00 C ATOM 108 CG TYR A 11 4.223 -0.945 1.871 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.492 -0.850 3.221 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.105 -0.415 0.952 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.694 -0.198 3.672 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.308 0.238 1.403 1.00 0.00 C ATOM 113 CZ TYR A 11 6.543 0.314 2.740 1.00 0.00 C ATOM 114 OH TYR A 11 7.678 0.930 3.165 1.00 0.00 O ATOM 0 H TYR A 11 2.685 -3.165 -0.883 1.00 0.00 H new ATOM 0 HA TYR A 11 3.862 -3.585 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.621 -1.176 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.155 -1.468 2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.801 -1.265 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.894 -0.489 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.917 -0.117 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.007 0.658 0.695 1.00 0.00 H new ATOM 0 HH TYR A 11 7.490 1.875 3.343 1.00 0.00 H new ATOM 124 N ILE A 12 1.702 -4.399 2.681 1.00 0.00 N ATOM 125 CA ILE A 12 0.500 -5.089 3.115 1.00 0.00 C ATOM 126 C ILE A 12 -0.301 -4.175 4.044 1.00 0.00 C ATOM 127 O ILE A 12 0.268 -3.512 4.911 1.00 0.00 O ATOM 128 CB ILE A 12 0.853 -6.442 3.738 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.707 -7.278 2.784 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.407 -7.187 4.183 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.832 -8.187 1.919 1.00 0.00 C ATOM 0 H ILE A 12 2.460 -4.394 3.363 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.138 -5.314 2.261 1.00 0.00 H new ATOM 0 HB ILE A 12 1.451 -6.261 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.296 -6.620 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.412 -7.882 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.127 -8.145 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.940 -6.590 4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.052 -7.357 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.464 -8.771 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.263 -8.861 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.145 -7.578 1.331 1.00 0.00 H new ATOM 143 N ALA A 13 -1.609 -4.168 3.832 1.00 0.00 N ATOM 144 CA ALA A 13 -2.494 -3.346 4.640 1.00 0.00 C ATOM 145 C ALA A 13 -2.722 -4.025 5.992 1.00 0.00 C ATOM 146 O ALA A 13 -3.224 -5.146 6.050 1.00 0.00 O ATOM 147 CB ALA A 13 -3.800 -3.104 3.881 1.00 0.00 C ATOM 0 H ALA A 13 -2.077 -4.719 3.112 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.044 -2.372 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.464 -2.487 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.586 -2.593 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.282 -4.059 3.672 1.00 0.00 H new ATOM 153 N LEU A 14 -2.341 -3.317 7.045 1.00 0.00 N ATOM 154 CA LEU A 14 -2.498 -3.838 8.393 1.00 0.00 C ATOM 155 C LEU A 14 -3.975 -3.785 8.787 1.00 0.00 C ATOM 156 O LEU A 14 -4.530 -4.773 9.264 1.00 0.00 O ATOM 157 CB LEU A 14 -1.575 -3.098 9.364 1.00 0.00 C ATOM 158 CG LEU A 14 -0.078 -3.370 9.205 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.743 -2.119 9.522 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.355 -4.569 10.051 1.00 0.00 C ATOM 0 H LEU A 14 -1.924 -2.388 6.992 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.194 -4.884 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.744 -2.027 9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.866 -3.360 10.381 1.00 0.00 H new ATOM 0 HG LEU A 14 0.114 -3.626 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.804 -2.340 9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.460 -1.316 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.552 -1.809 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.423 -4.740 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.147 -4.367 11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.196 -5.455 9.735 1.00 0.00 H new ATOM 172 N TYR A 15 -4.570 -2.620 8.573 1.00 0.00 N ATOM 173 CA TYR A 15 -5.972 -2.425 8.900 1.00 0.00 C ATOM 174 C TYR A 15 -6.741 -1.860 7.704 1.00 0.00 C ATOM 175 O TYR A 15 -6.155 -1.221 6.831 1.00 0.00 O ATOM 176 CB TYR A 15 -6.002 -1.404 10.039 1.00 0.00 C ATOM 177 CG TYR A 15 -4.849 -1.549 11.035 1.00 0.00 C ATOM 178 CD1 TYR A 15 -3.659 -0.888 10.814 1.00 0.00 C ATOM 179 CD2 TYR A 15 -5.001 -2.342 12.154 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.574 -1.024 11.751 1.00 0.00 C ATOM 181 CE2 TYR A 15 -3.917 -2.479 13.092 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.757 -1.813 12.844 1.00 0.00 C ATOM 183 OH TYR A 15 -1.733 -1.943 13.730 1.00 0.00 O ATOM 0 H TYR A 15 -4.106 -1.802 8.177 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.437 -3.372 9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.978 -0.400 9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.946 -1.501 10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.541 -0.268 9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.933 -2.860 12.326 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.637 -0.512 11.590 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.022 -3.096 13.972 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.006 -2.535 14.461 1.00 0.00 H new ATOM 193 N PRO A 16 -8.075 -2.122 7.702 1.00 0.00 N ATOM 194 CA PRO A 16 -8.930 -1.646 6.627 1.00 0.00 C ATOM 195 C PRO A 16 -9.190 -0.144 6.758 1.00 0.00 C ATOM 196 O PRO A 16 -9.789 0.304 7.734 1.00 0.00 O ATOM 197 CB PRO A 16 -10.196 -2.480 6.734 1.00 0.00 C ATOM 198 CG PRO A 16 -10.195 -3.063 8.138 1.00 0.00 C ATOM 199 CD PRO A 16 -8.803 -2.875 8.719 1.00 0.00 C ATOM 0 HA PRO A 16 -8.474 -1.762 5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.082 -1.868 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.208 -3.270 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.939 -2.564 8.759 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.459 -4.120 8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.838 -2.332 9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.325 -3.834 8.920 1.00 0.00 H new ATOM 207 N TYR A 17 -8.727 0.593 5.759 1.00 0.00 N ATOM 208 CA TYR A 17 -8.902 2.035 5.749 1.00 0.00 C ATOM 209 C TYR A 17 -9.884 2.461 4.656 1.00 0.00 C ATOM 210 O TYR A 17 -9.619 2.269 3.470 1.00 0.00 O ATOM 211 CB TYR A 17 -7.525 2.625 5.439 1.00 0.00 C ATOM 212 CG TYR A 17 -7.522 4.146 5.275 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.772 4.707 4.039 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.269 4.957 6.363 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.769 6.139 3.885 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.266 6.389 6.208 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.516 6.909 4.977 1.00 0.00 C ATOM 218 OH TYR A 17 -7.514 8.261 4.831 1.00 0.00 O ATOM 0 H TYR A 17 -8.231 0.218 4.951 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.299 2.380 6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.837 2.355 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.144 2.171 4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.970 4.072 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.073 4.518 7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.963 6.591 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.070 7.035 7.051 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.591 8.580 4.754 1.00 0.00 H new ATOM 228 N SER A 18 -10.997 3.031 5.094 1.00 0.00 N ATOM 229 CA SER A 18 -12.019 3.486 4.167 1.00 0.00 C ATOM 230 C SER A 18 -12.096 5.014 4.181 1.00 0.00 C ATOM 231 O SER A 18 -12.177 5.625 5.246 1.00 0.00 O ATOM 232 CB SER A 18 -13.382 2.882 4.511 1.00 0.00 C ATOM 233 OG SER A 18 -13.287 1.497 4.831 1.00 0.00 O ATOM 0 H SER A 18 -11.213 3.188 6.078 1.00 0.00 H new ATOM 0 HA SER A 18 -11.746 3.152 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.814 3.420 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.060 3.014 3.668 1.00 0.00 H new ATOM 0 HG SER A 18 -14.178 1.149 5.046 1.00 0.00 H new ATOM 295 N GLY A 23 -10.244 10.518 -3.342 1.00 0.00 N ATOM 296 CA GLY A 23 -8.839 10.884 -3.401 1.00 0.00 C ATOM 297 C GLY A 23 -7.978 9.878 -2.634 1.00 0.00 C ATOM 298 O GLY A 23 -6.937 9.445 -3.126 1.00 0.00 O ATOM 0 HA2 GLY A 23 -8.514 10.928 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.701 11.881 -2.982 1.00 0.00 H new ATOM 302 N ASP A 24 -8.444 9.535 -1.443 1.00 0.00 N ATOM 303 CA ASP A 24 -7.730 8.588 -0.604 1.00 0.00 C ATOM 304 C ASP A 24 -8.000 7.167 -1.102 1.00 0.00 C ATOM 305 O ASP A 24 -9.147 6.802 -1.356 1.00 0.00 O ATOM 306 CB ASP A 24 -8.199 8.676 0.850 1.00 0.00 C ATOM 307 CG ASP A 24 -7.107 9.032 1.861 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.349 8.107 2.226 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.056 10.219 2.247 1.00 0.00 O ATOM 0 H ASP A 24 -9.308 9.896 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.668 8.827 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.991 9.422 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.637 7.719 1.133 1.00 0.00 H new ATOM 314 N LEU A 25 -6.924 6.403 -1.227 1.00 0.00 N ATOM 315 CA LEU A 25 -7.031 5.030 -1.690 1.00 0.00 C ATOM 316 C LEU A 25 -7.734 4.189 -0.623 1.00 0.00 C ATOM 317 O LEU A 25 -7.234 4.050 0.492 1.00 0.00 O ATOM 318 CB LEU A 25 -5.656 4.491 -2.090 1.00 0.00 C ATOM 319 CG LEU A 25 -5.656 3.239 -2.970 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.158 3.560 -4.380 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.274 2.583 -2.990 1.00 0.00 C ATOM 0 H LEU A 25 -5.974 6.709 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.643 4.979 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.117 5.280 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.095 4.272 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.349 2.517 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.148 2.653 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.175 3.948 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.509 4.308 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.302 1.696 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.542 3.288 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.992 2.298 -1.977 1.00 0.00 H new ATOM 333 N THR A 26 -8.884 3.651 -1.002 1.00 0.00 N ATOM 334 CA THR A 26 -9.661 2.827 -0.091 1.00 0.00 C ATOM 335 C THR A 26 -9.285 1.353 -0.252 1.00 0.00 C ATOM 336 O THR A 26 -9.355 0.808 -1.353 1.00 0.00 O ATOM 337 CB THR A 26 -11.143 3.108 -0.347 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.306 2.866 -1.742 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.496 4.588 -0.182 1.00 0.00 C ATOM 0 H THR A 26 -9.297 3.769 -1.927 1.00 0.00 H new ATOM 0 HA THR A 26 -9.443 3.073 0.948 1.00 0.00 H new ATOM 0 HB THR A 26 -11.748 2.512 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.780 2.081 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.559 4.732 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.265 4.906 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.915 5.181 -0.888 1.00 0.00 H new ATOM 347 N PHE A 27 -8.895 0.750 0.861 1.00 0.00 N ATOM 348 CA PHE A 27 -8.508 -0.651 0.856 1.00 0.00 C ATOM 349 C PHE A 27 -8.812 -1.308 2.204 1.00 0.00 C ATOM 350 O PHE A 27 -9.037 -0.619 3.198 1.00 0.00 O ATOM 351 CB PHE A 27 -6.999 -0.697 0.609 1.00 0.00 C ATOM 352 CG PHE A 27 -6.184 0.176 1.566 1.00 0.00 C ATOM 353 CD1 PHE A 27 -6.042 -0.191 2.868 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.602 1.319 1.115 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.287 0.619 3.756 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.846 2.129 2.003 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.704 1.762 3.304 1.00 0.00 C ATOM 0 H PHE A 27 -8.839 1.205 1.772 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.063 -1.188 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.658 -1.729 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.799 -0.380 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.504 -1.099 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.715 1.611 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.175 0.328 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.384 3.037 1.645 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.128 2.378 3.979 1.00 0.00 H new ATOM 367 N THR A 28 -8.811 -2.633 2.195 1.00 0.00 N ATOM 368 CA THR A 28 -9.084 -3.390 3.404 1.00 0.00 C ATOM 369 C THR A 28 -7.795 -4.011 3.947 1.00 0.00 C ATOM 370 O THR A 28 -6.734 -3.877 3.340 1.00 0.00 O ATOM 371 CB THR A 28 -10.166 -4.423 3.081 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.798 -4.921 1.797 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.537 -3.783 2.853 1.00 0.00 C ATOM 0 H THR A 28 -8.625 -3.202 1.369 1.00 0.00 H new ATOM 0 HA THR A 28 -9.457 -2.744 4.199 1.00 0.00 H new ATOM 0 HB THR A 28 -10.233 -5.145 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.446 -5.598 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.268 -4.559 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.842 -3.247 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.479 -3.086 2.017 1.00 0.00 H new ATOM 381 N GLU A 29 -7.930 -4.676 5.085 1.00 0.00 N ATOM 382 CA GLU A 29 -6.790 -5.317 5.718 1.00 0.00 C ATOM 383 C GLU A 29 -6.403 -6.585 4.954 1.00 0.00 C ATOM 384 O GLU A 29 -7.243 -7.451 4.716 1.00 0.00 O ATOM 385 CB GLU A 29 -7.081 -5.629 7.187 1.00 0.00 C ATOM 386 CG GLU A 29 -6.161 -6.736 7.705 1.00 0.00 C ATOM 387 CD GLU A 29 -6.894 -8.079 7.755 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.786 -8.206 8.621 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.545 -8.947 6.926 1.00 0.00 O ATOM 0 H GLU A 29 -8.812 -4.785 5.585 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.947 -4.626 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.947 -4.729 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.121 -5.934 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.286 -6.819 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.800 -6.478 8.700 1.00 0.00 H new ATOM 396 N GLY A 30 -5.131 -6.653 4.590 1.00 0.00 N ATOM 397 CA GLY A 30 -4.623 -7.801 3.858 1.00 0.00 C ATOM 398 C GLY A 30 -4.369 -7.447 2.391 1.00 0.00 C ATOM 399 O GLY A 30 -3.621 -8.139 1.702 1.00 0.00 O ATOM 0 H GLY A 30 -4.437 -5.932 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.698 -8.149 4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.338 -8.621 3.919 1.00 0.00 H new ATOM 403 N GLU A 31 -5.006 -6.369 1.957 1.00 0.00 N ATOM 404 CA GLU A 31 -4.859 -5.915 0.584 1.00 0.00 C ATOM 405 C GLU A 31 -3.399 -5.562 0.296 1.00 0.00 C ATOM 406 O GLU A 31 -2.666 -5.153 1.195 1.00 0.00 O ATOM 407 CB GLU A 31 -5.778 -4.725 0.299 1.00 0.00 C ATOM 408 CG GLU A 31 -7.109 -5.190 -0.294 1.00 0.00 C ATOM 409 CD GLU A 31 -7.094 -5.092 -1.820 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.376 -5.910 -2.434 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.801 -4.201 -2.339 1.00 0.00 O ATOM 0 H GLU A 31 -5.625 -5.797 2.532 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.154 -6.727 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.960 -4.172 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.288 -4.040 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.305 -6.220 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.921 -4.582 0.105 1.00 0.00 H new ATOM 418 N GLU A 32 -3.019 -5.734 -0.962 1.00 0.00 N ATOM 419 CA GLU A 32 -1.660 -5.438 -1.380 1.00 0.00 C ATOM 420 C GLU A 32 -1.606 -4.087 -2.096 1.00 0.00 C ATOM 421 O GLU A 32 -2.000 -3.978 -3.256 1.00 0.00 O ATOM 422 CB GLU A 32 -1.106 -6.552 -2.271 1.00 0.00 C ATOM 423 CG GLU A 32 -0.064 -7.386 -1.522 1.00 0.00 C ATOM 424 CD GLU A 32 0.401 -8.572 -2.369 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.749 -8.328 -3.545 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.399 -9.696 -1.822 1.00 0.00 O ATOM 0 H GLU A 32 -3.629 -6.075 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.032 -5.381 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.921 -7.195 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.656 -6.118 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.791 -6.761 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.488 -7.748 -0.585 1.00 0.00 H new ATOM 433 N ILE A 33 -1.115 -3.090 -1.374 1.00 0.00 N ATOM 434 CA ILE A 33 -1.005 -1.750 -1.925 1.00 0.00 C ATOM 435 C ILE A 33 0.400 -1.553 -2.499 1.00 0.00 C ATOM 436 O ILE A 33 1.393 -1.779 -1.809 1.00 0.00 O ATOM 437 CB ILE A 33 -1.393 -0.706 -0.876 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.866 -0.842 -0.486 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.055 0.706 -1.358 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.051 -0.674 1.024 1.00 0.00 C ATOM 0 H ILE A 33 -0.789 -3.184 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.707 -1.617 -2.748 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.804 -0.889 0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.456 -0.093 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.239 -1.818 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.341 1.429 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.016 0.780 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.599 0.916 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.107 -0.775 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.479 -1.439 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.699 0.312 1.326 1.00 0.00 H new ATOM 452 N LEU A 34 0.438 -1.135 -3.755 1.00 0.00 N ATOM 453 CA LEU A 34 1.704 -0.905 -4.430 1.00 0.00 C ATOM 454 C LEU A 34 2.054 0.582 -4.355 1.00 0.00 C ATOM 455 O LEU A 34 1.509 1.390 -5.105 1.00 0.00 O ATOM 456 CB LEU A 34 1.659 -1.456 -5.856 1.00 0.00 C ATOM 457 CG LEU A 34 2.984 -1.445 -6.621 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.053 -2.248 -5.877 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.792 -1.939 -8.057 1.00 0.00 C ATOM 0 H LEU A 34 -0.388 -0.949 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 34 2.507 -1.447 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.294 -2.482 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.929 -0.879 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 34 3.337 -0.415 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.985 -2.224 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.215 -1.812 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.722 -3.281 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.749 -1.921 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.405 -2.958 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.085 -1.290 -8.574 1.00 0.00 H new ATOM 471 N VAL A 35 2.962 0.899 -3.444 1.00 0.00 N ATOM 472 CA VAL A 35 3.391 2.275 -3.262 1.00 0.00 C ATOM 473 C VAL A 35 4.446 2.620 -4.315 1.00 0.00 C ATOM 474 O VAL A 35 5.345 1.823 -4.582 1.00 0.00 O ATOM 475 CB VAL A 35 3.887 2.484 -1.829 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.116 3.968 -1.539 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.916 1.870 -0.818 1.00 0.00 C ATOM 0 H VAL A 35 3.413 0.226 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 35 2.553 2.957 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 35 4.844 1.972 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.468 4.088 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.863 4.362 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.180 4.512 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.292 2.032 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.938 2.340 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.826 0.800 -1.004 1.00 0.00 H new ATOM 487 N THR A 36 4.301 3.807 -4.885 1.00 0.00 N ATOM 488 CA THR A 36 5.230 4.267 -5.903 1.00 0.00 C ATOM 489 C THR A 36 5.773 5.651 -5.544 1.00 0.00 C ATOM 490 O THR A 36 6.967 5.909 -5.684 1.00 0.00 O ATOM 491 CB THR A 36 4.510 4.227 -7.253 1.00 0.00 C ATOM 492 OG1 THR A 36 3.474 5.196 -7.122 1.00 0.00 O ATOM 493 CG2 THR A 36 3.764 2.911 -7.479 1.00 0.00 C ATOM 0 H THR A 36 3.554 4.464 -4.661 1.00 0.00 H new ATOM 0 HA THR A 36 6.103 3.617 -5.965 1.00 0.00 H new ATOM 0 HB THR A 36 5.233 4.377 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.958 5.237 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.271 2.935 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.472 2.082 -7.451 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.017 2.777 -6.696 1.00 0.00 H new ATOM 501 N GLN A 37 4.868 6.506 -5.090 1.00 0.00 N ATOM 502 CA GLN A 37 5.241 7.858 -4.710 1.00 0.00 C ATOM 503 C GLN A 37 5.073 8.052 -3.202 1.00 0.00 C ATOM 504 O GLN A 37 3.969 7.919 -2.675 1.00 0.00 O ATOM 505 CB GLN A 37 4.425 8.892 -5.490 1.00 0.00 C ATOM 506 CG GLN A 37 5.200 9.395 -6.709 1.00 0.00 C ATOM 507 CD GLN A 37 4.258 9.661 -7.885 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.053 9.782 -7.734 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.872 9.745 -9.062 1.00 0.00 N ATOM 0 H GLN A 37 3.878 6.289 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 37 6.291 8.008 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.482 8.449 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.178 9.731 -4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.735 10.309 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.949 8.658 -6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.884 9.634 -9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.330 9.920 -9.908 1.00 0.00 H new ATOM 518 N LYS A 38 6.183 8.362 -2.549 1.00 0.00 N ATOM 519 CA LYS A 38 6.173 8.574 -1.112 1.00 0.00 C ATOM 520 C LYS A 38 6.528 10.032 -0.814 1.00 0.00 C ATOM 521 O LYS A 38 7.695 10.416 -0.879 1.00 0.00 O ATOM 522 CB LYS A 38 7.085 7.563 -0.414 1.00 0.00 C ATOM 523 CG LYS A 38 6.817 6.144 -0.918 1.00 0.00 C ATOM 524 CD LYS A 38 7.899 5.177 -0.434 1.00 0.00 C ATOM 525 CE LYS A 38 7.413 3.728 -0.507 1.00 0.00 C ATOM 526 NZ LYS A 38 8.563 2.798 -0.557 1.00 0.00 N ATOM 0 H LYS A 38 7.096 8.472 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 38 5.176 8.399 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.128 7.825 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.925 7.606 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.841 5.808 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.783 6.142 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.795 5.295 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.176 5.420 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.792 3.502 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.789 3.592 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.329 1.928 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.777 2.563 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.393 3.248 -0.121 1.00 0.00 H new ATOM 540 N ASP A 39 5.501 10.805 -0.493 1.00 0.00 N ATOM 541 CA ASP A 39 5.691 12.212 -0.185 1.00 0.00 C ATOM 542 C ASP A 39 5.276 12.473 1.265 1.00 0.00 C ATOM 543 O ASP A 39 4.089 12.460 1.586 1.00 0.00 O ATOM 544 CB ASP A 39 4.829 13.095 -1.089 1.00 0.00 C ATOM 545 CG ASP A 39 5.569 13.731 -2.267 1.00 0.00 C ATOM 546 OD1 ASP A 39 6.599 13.150 -2.670 1.00 0.00 O ATOM 547 OD2 ASP A 39 5.087 14.784 -2.738 1.00 0.00 O ATOM 0 H ASP A 39 4.534 10.483 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 39 6.742 12.452 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.005 12.496 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.389 13.888 -0.484 1.00 0.00 H new ATOM 552 N GLY A 40 6.278 12.702 2.101 1.00 0.00 N ATOM 553 CA GLY A 40 6.032 12.965 3.509 1.00 0.00 C ATOM 554 C GLY A 40 5.662 11.679 4.251 1.00 0.00 C ATOM 555 O GLY A 40 6.191 10.610 3.949 1.00 0.00 O ATOM 0 H GLY A 40 7.261 12.711 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.920 13.407 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.227 13.693 3.611 1.00 0.00 H new ATOM 559 N GLU A 41 4.756 11.824 5.206 1.00 0.00 N ATOM 560 CA GLU A 41 4.309 10.688 5.993 1.00 0.00 C ATOM 561 C GLU A 41 3.361 9.813 5.171 1.00 0.00 C ATOM 562 O GLU A 41 3.472 8.588 5.183 1.00 0.00 O ATOM 563 CB GLU A 41 3.643 11.147 7.292 1.00 0.00 C ATOM 564 CG GLU A 41 4.651 11.181 8.443 1.00 0.00 C ATOM 565 CD GLU A 41 4.914 9.773 8.982 1.00 0.00 C ATOM 566 OE1 GLU A 41 4.047 9.284 9.738 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.976 9.219 8.626 1.00 0.00 O ATOM 0 H GLU A 41 4.319 12.712 5.453 1.00 0.00 H new ATOM 0 HA GLU A 41 5.181 10.092 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.211 12.138 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.823 10.474 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.586 11.624 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.273 11.816 9.244 1.00 0.00 H new ATOM 574 N TRP A 42 2.448 10.476 4.475 1.00 0.00 N ATOM 575 CA TRP A 42 1.481 9.774 3.649 1.00 0.00 C ATOM 576 C TRP A 42 2.106 9.561 2.268 1.00 0.00 C ATOM 577 O TRP A 42 2.659 10.491 1.683 1.00 0.00 O ATOM 578 CB TRP A 42 0.154 10.533 3.594 1.00 0.00 C ATOM 579 CG TRP A 42 -0.662 10.454 4.886 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.249 10.692 6.138 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.057 10.101 5.002 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.271 10.520 7.049 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.405 10.149 6.336 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.993 9.753 4.012 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.694 9.861 6.803 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.275 9.468 4.494 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.642 9.511 5.834 1.00 0.00 C ATOM 0 H TRP A 42 2.358 11.492 4.467 1.00 0.00 H new ATOM 0 HA TRP A 42 1.242 8.801 4.077 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.355 11.580 3.367 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.445 10.138 2.773 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.757 10.982 6.401 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.206 10.643 8.060 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.742 9.709 2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.943 9.906 7.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.033 9.195 3.774 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.655 9.275 6.127 1.00 0.00 H new ATOM 598 N TRP A 43 1.996 8.331 1.788 1.00 0.00 N ATOM 599 CA TRP A 43 2.543 7.984 0.487 1.00 0.00 C ATOM 600 C TRP A 43 1.376 7.642 -0.441 1.00 0.00 C ATOM 601 O TRP A 43 0.262 7.399 0.021 1.00 0.00 O ATOM 602 CB TRP A 43 3.563 6.850 0.606 1.00 0.00 C ATOM 603 CG TRP A 43 4.585 7.047 1.728 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.099 8.199 2.183 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.201 6.012 2.522 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.996 7.982 3.208 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.060 6.609 3.421 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.036 4.616 2.483 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.823 5.889 4.348 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.806 3.910 3.415 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.676 4.497 4.327 1.00 0.00 C ATOM 0 H TRP A 43 1.536 7.562 2.276 1.00 0.00 H new ATOM 0 HA TRP A 43 3.091 8.825 0.062 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.031 5.913 0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.093 6.751 -0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.843 9.174 1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.517 8.697 3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.368 4.127 1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.489 6.381 5.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.718 2.834 3.426 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.236 3.882 5.016 1.00 0.00 H new ATOM 622 N THR A 44 1.670 7.636 -1.732 1.00 0.00 N ATOM 623 CA THR A 44 0.659 7.328 -2.729 1.00 0.00 C ATOM 624 C THR A 44 0.715 5.847 -3.106 1.00 0.00 C ATOM 625 O THR A 44 1.711 5.379 -3.656 1.00 0.00 O ATOM 626 CB THR A 44 0.868 8.266 -3.920 1.00 0.00 C ATOM 627 OG1 THR A 44 0.341 9.514 -3.476 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.009 7.896 -5.118 1.00 0.00 C ATOM 0 H THR A 44 2.595 7.840 -2.111 1.00 0.00 H new ATOM 0 HA THR A 44 -0.345 7.494 -2.338 1.00 0.00 H new ATOM 0 HB THR A 44 1.916 8.246 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.438 10.181 -4.187 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.178 8.593 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.228 6.883 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.059 7.948 -4.830 1.00 0.00 H new ATOM 636 N GLY A 45 -0.368 5.149 -2.795 1.00 0.00 N ATOM 637 CA GLY A 45 -0.455 3.729 -3.094 1.00 0.00 C ATOM 638 C GLY A 45 -1.272 3.486 -4.363 1.00 0.00 C ATOM 639 O GLY A 45 -1.949 4.389 -4.853 1.00 0.00 O ATOM 0 H GLY A 45 -1.192 5.540 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.547 3.318 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.914 3.205 -2.256 1.00 0.00 H new ATOM 643 N SER A 46 -1.184 2.261 -4.860 1.00 0.00 N ATOM 644 CA SER A 46 -1.907 1.887 -6.064 1.00 0.00 C ATOM 645 C SER A 46 -2.437 0.457 -5.933 1.00 0.00 C ATOM 646 O SER A 46 -1.803 -0.388 -5.303 1.00 0.00 O ATOM 647 CB SER A 46 -1.018 2.012 -7.302 1.00 0.00 C ATOM 648 OG SER A 46 -1.770 2.331 -8.469 1.00 0.00 O ATOM 0 H SER A 46 -0.623 1.514 -4.451 1.00 0.00 H new ATOM 0 HA SER A 46 -2.748 2.570 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.267 2.784 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.483 1.076 -7.460 1.00 0.00 H new ATOM 0 HG SER A 46 -2.726 2.330 -8.253 1.00 0.00 H new ATOM 654 N ILE A 47 -3.593 0.231 -6.539 1.00 0.00 N ATOM 655 CA ILE A 47 -4.215 -1.082 -6.498 1.00 0.00 C ATOM 656 C ILE A 47 -4.788 -1.413 -7.878 1.00 0.00 C ATOM 657 O ILE A 47 -5.763 -0.802 -8.312 1.00 0.00 O ATOM 658 CB ILE A 47 -5.247 -1.151 -5.371 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.580 -0.976 -4.005 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.060 -2.445 -5.450 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.627 -0.827 -2.899 1.00 0.00 C ATOM 0 H ILE A 47 -4.115 0.935 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.474 -1.848 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.945 -0.324 -5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.943 -1.835 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.935 -0.097 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.786 -2.469 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.583 -2.488 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.391 -3.301 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.127 -0.704 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.247 0.047 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.255 -1.718 -2.870 1.00 0.00 H new ATOM 673 N GLY A 48 -4.157 -2.379 -8.529 1.00 0.00 N ATOM 674 CA GLY A 48 -4.591 -2.799 -9.850 1.00 0.00 C ATOM 675 C GLY A 48 -4.425 -1.668 -10.867 1.00 0.00 C ATOM 676 O GLY A 48 -3.531 -1.713 -11.711 1.00 0.00 O ATOM 0 H GLY A 48 -3.348 -2.883 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.013 -3.667 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.635 -3.109 -9.812 1.00 0.00 H new ATOM 680 N ASP A 49 -5.301 -0.680 -10.753 1.00 0.00 N ATOM 681 CA ASP A 49 -5.262 0.461 -11.652 1.00 0.00 C ATOM 682 C ASP A 49 -5.846 1.684 -10.942 1.00 0.00 C ATOM 683 O ASP A 49 -6.318 2.617 -11.591 1.00 0.00 O ATOM 684 CB ASP A 49 -6.096 0.201 -12.908 1.00 0.00 C ATOM 685 CG ASP A 49 -5.473 0.701 -14.213 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.917 1.820 -14.184 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.566 -0.047 -15.210 1.00 0.00 O ATOM 0 H ASP A 49 -6.041 -0.646 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.224 0.631 -11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.271 -0.871 -12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.070 0.674 -12.783 1.00 0.00 H new ATOM 692 N ARG A 50 -5.796 1.641 -9.619 1.00 0.00 N ATOM 693 CA ARG A 50 -6.314 2.734 -8.813 1.00 0.00 C ATOM 694 C ARG A 50 -5.162 3.560 -8.236 1.00 0.00 C ATOM 695 O ARG A 50 -4.024 3.096 -8.187 1.00 0.00 O ATOM 696 CB ARG A 50 -7.182 2.210 -7.667 1.00 0.00 C ATOM 697 CG ARG A 50 -8.662 2.216 -8.054 1.00 0.00 C ATOM 698 CD ARG A 50 -9.492 1.403 -7.059 1.00 0.00 C ATOM 699 NE ARG A 50 -9.762 0.055 -7.607 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.592 -0.833 -7.043 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.237 -0.522 -5.911 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.776 -2.033 -7.611 1.00 0.00 N ATOM 0 H ARG A 50 -5.404 0.866 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.927 3.362 -9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.874 1.197 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.032 2.826 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.029 3.242 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.781 1.803 -9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.960 1.319 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.432 1.915 -6.852 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.286 -0.215 -8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.096 0.391 -5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.869 -1.198 -5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.284 -2.270 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.408 -2.709 -7.182 1.00 0.00 H new ATOM 716 N SER A 51 -5.498 4.770 -7.814 1.00 0.00 N ATOM 717 CA SER A 51 -4.507 5.665 -7.241 1.00 0.00 C ATOM 718 C SER A 51 -5.150 6.536 -6.161 1.00 0.00 C ATOM 719 O SER A 51 -6.298 6.956 -6.299 1.00 0.00 O ATOM 720 CB SER A 51 -3.869 6.542 -8.320 1.00 0.00 C ATOM 721 OG SER A 51 -4.554 6.439 -9.566 1.00 0.00 O ATOM 0 H SER A 51 -6.443 5.152 -7.857 1.00 0.00 H new ATOM 0 HA SER A 51 -3.720 5.060 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.870 7.581 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.827 6.251 -8.454 1.00 0.00 H new ATOM 0 HG SER A 51 -4.117 7.015 -10.228 1.00 0.00 H new ATOM 727 N GLY A 52 -4.382 6.782 -5.109 1.00 0.00 N ATOM 728 CA GLY A 52 -4.863 7.595 -4.005 1.00 0.00 C ATOM 729 C GLY A 52 -3.813 7.690 -2.896 1.00 0.00 C ATOM 730 O GLY A 52 -2.732 7.115 -3.010 1.00 0.00 O ATOM 0 H GLY A 52 -3.430 6.432 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.109 8.594 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.781 7.165 -3.605 1.00 0.00 H new ATOM 734 N ILE A 53 -4.170 8.419 -1.849 1.00 0.00 N ATOM 735 CA ILE A 53 -3.272 8.596 -0.720 1.00 0.00 C ATOM 736 C ILE A 53 -3.710 7.679 0.423 1.00 0.00 C ATOM 737 O ILE A 53 -4.863 7.253 0.475 1.00 0.00 O ATOM 738 CB ILE A 53 -3.190 10.073 -0.327 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.557 10.599 0.115 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.593 10.909 -1.460 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.407 11.840 0.997 1.00 0.00 C ATOM 0 H ILE A 53 -5.068 8.894 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.257 8.305 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.519 10.163 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.158 10.842 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.090 9.822 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.546 11.954 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.588 10.551 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.219 10.818 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.393 12.194 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.826 11.588 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.895 12.624 0.439 1.00 0.00 H new ATOM 753 N PHE A 54 -2.767 7.402 1.312 1.00 0.00 N ATOM 754 CA PHE A 54 -3.042 6.543 2.451 1.00 0.00 C ATOM 755 C PHE A 54 -1.994 6.737 3.549 1.00 0.00 C ATOM 756 O PHE A 54 -0.912 7.263 3.293 1.00 0.00 O ATOM 757 CB PHE A 54 -2.976 5.099 1.949 1.00 0.00 C ATOM 758 CG PHE A 54 -1.559 4.612 1.640 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.746 4.200 2.649 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.113 4.591 0.355 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.569 3.747 2.362 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.202 4.139 0.068 1.00 0.00 C ATOM 763 CZ PHE A 54 1.015 3.726 1.077 1.00 0.00 C ATOM 0 H PHE A 54 -1.812 7.757 1.266 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.019 6.783 2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.419 4.444 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.584 5.010 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.100 4.217 3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.759 4.918 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.215 3.419 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.557 4.123 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.015 3.381 0.858 1.00 0.00 H new ATOM 773 N PRO A 55 -2.361 6.290 4.780 1.00 0.00 N ATOM 774 CA PRO A 55 -1.466 6.409 5.918 1.00 0.00 C ATOM 775 C PRO A 55 -0.341 5.375 5.840 1.00 0.00 C ATOM 776 O PRO A 55 -0.596 4.172 5.864 1.00 0.00 O ATOM 777 CB PRO A 55 -2.354 6.231 7.138 1.00 0.00 C ATOM 778 CG PRO A 55 -3.622 5.559 6.636 1.00 0.00 C ATOM 779 CD PRO A 55 -3.635 5.663 5.120 1.00 0.00 C ATOM 0 HA PRO A 55 -0.954 7.371 5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.861 5.620 7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.578 7.192 7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.650 4.515 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.503 6.041 7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.729 4.681 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.476 6.262 4.771 1.00 0.00 H new ATOM 787 N SER A 56 0.880 5.882 5.749 1.00 0.00 N ATOM 788 CA SER A 56 2.045 5.017 5.669 1.00 0.00 C ATOM 789 C SER A 56 2.207 4.234 6.973 1.00 0.00 C ATOM 790 O SER A 56 3.009 3.304 7.047 1.00 0.00 O ATOM 791 CB SER A 56 3.311 5.824 5.374 1.00 0.00 C ATOM 792 OG SER A 56 3.747 6.567 6.509 1.00 0.00 O ATOM 0 H SER A 56 1.088 6.880 5.729 1.00 0.00 H new ATOM 0 HA SER A 56 1.894 4.316 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.105 5.149 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.121 6.506 4.545 1.00 0.00 H new ATOM 0 HG SER A 56 3.693 7.526 6.313 1.00 0.00 H new ATOM 798 N ASN A 57 1.433 4.639 7.969 1.00 0.00 N ATOM 799 CA ASN A 57 1.480 3.986 9.266 1.00 0.00 C ATOM 800 C ASN A 57 0.452 2.854 9.301 1.00 0.00 C ATOM 801 O ASN A 57 0.285 2.194 10.325 1.00 0.00 O ATOM 802 CB ASN A 57 1.140 4.968 10.389 1.00 0.00 C ATOM 803 CG ASN A 57 1.973 6.246 10.271 1.00 0.00 C ATOM 804 OD1 ASN A 57 3.138 6.228 9.911 1.00 0.00 O ATOM 805 ND2 ASN A 57 1.311 7.354 10.593 1.00 0.00 N ATOM 0 H ASN A 57 0.770 5.411 7.904 1.00 0.00 H new ATOM 0 HA ASN A 57 2.490 3.603 9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.079 5.216 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.323 4.498 11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.779 8.259 10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.336 7.298 10.887 1.00 0.00 H new ATOM 812 N TYR A 58 -0.210 2.664 8.169 1.00 0.00 N ATOM 813 CA TYR A 58 -1.217 1.622 8.057 1.00 0.00 C ATOM 814 C TYR A 58 -0.842 0.611 6.973 1.00 0.00 C ATOM 815 O TYR A 58 -1.710 -0.059 6.416 1.00 0.00 O ATOM 816 CB TYR A 58 -2.512 2.330 7.651 1.00 0.00 C ATOM 817 CG TYR A 58 -3.215 3.049 8.804 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.538 4.001 9.539 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.526 2.747 9.109 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.200 4.679 10.624 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.188 3.424 10.194 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.492 4.357 10.898 1.00 0.00 C ATOM 823 OH TYR A 58 -5.117 4.996 11.922 1.00 0.00 O ATOM 0 H TYR A 58 -0.069 3.214 7.322 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.314 1.079 8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.288 3.054 6.867 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.196 1.597 7.222 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.512 4.238 9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.056 2.002 8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.682 5.426 11.207 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.214 3.196 10.443 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.036 4.666 12.001 1.00 0.00 H new ATOM 833 N VAL A 59 0.453 0.532 6.705 1.00 0.00 N ATOM 834 CA VAL A 59 0.955 -0.387 5.697 1.00 0.00 C ATOM 835 C VAL A 59 2.330 -0.904 6.123 1.00 0.00 C ATOM 836 O VAL A 59 3.141 -0.151 6.660 1.00 0.00 O ATOM 837 CB VAL A 59 0.971 0.296 4.328 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.426 0.789 3.944 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.984 1.442 4.299 1.00 0.00 C ATOM 0 H VAL A 59 1.170 1.090 7.169 1.00 0.00 H new ATOM 0 HA VAL A 59 0.297 -1.251 5.607 1.00 0.00 H new ATOM 0 HB VAL A 59 1.280 -0.443 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.386 1.270 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.112 -0.057 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.776 1.505 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.975 1.910 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.719 2.181 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.981 1.052 4.506 1.00 0.00 H new ATOM 849 N LYS A 60 2.550 -2.186 5.868 1.00 0.00 N ATOM 850 CA LYS A 60 3.813 -2.812 6.218 1.00 0.00 C ATOM 851 C LYS A 60 4.504 -3.305 4.945 1.00 0.00 C ATOM 852 O LYS A 60 3.852 -3.516 3.923 1.00 0.00 O ATOM 853 CB LYS A 60 3.596 -3.908 7.264 1.00 0.00 C ATOM 854 CG LYS A 60 3.154 -5.216 6.604 1.00 0.00 C ATOM 855 CD LYS A 60 2.755 -6.253 7.655 1.00 0.00 C ATOM 856 CE LYS A 60 1.247 -6.513 7.625 1.00 0.00 C ATOM 857 NZ LYS A 60 0.868 -7.489 8.670 1.00 0.00 N ATOM 0 H LYS A 60 1.875 -2.808 5.423 1.00 0.00 H new ATOM 0 HA LYS A 60 4.481 -2.087 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.518 -4.071 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.842 -3.586 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.312 -5.025 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.964 -5.609 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.292 -7.184 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.048 -5.904 8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.708 -5.578 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.957 -6.890 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.158 -7.654 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.368 -8.386 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.127 -7.115 9.605 1.00 0.00 H new ATOM 871 N PRO A 61 5.848 -3.479 5.051 1.00 0.00 N ATOM 872 CA PRO A 61 6.634 -3.944 3.921 1.00 0.00 C ATOM 873 C PRO A 61 6.424 -5.441 3.685 1.00 0.00 C ATOM 874 O PRO A 61 6.714 -6.257 4.558 1.00 0.00 O ATOM 875 CB PRO A 61 8.071 -3.594 4.270 1.00 0.00 C ATOM 876 CG PRO A 61 8.092 -3.370 5.774 1.00 0.00 C ATOM 877 CD PRO A 61 6.653 -3.240 6.245 1.00 0.00 C ATOM 0 HA PRO A 61 6.340 -3.473 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.749 -4.399 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.396 -2.700 3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.585 -4.202 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.657 -2.470 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.426 -3.964 7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.460 -2.251 6.661 1.00 0.00 H new ATOM 885 N LYS A 62 5.922 -5.756 2.500 1.00 0.00 N ATOM 886 CA LYS A 62 5.670 -7.141 2.138 1.00 0.00 C ATOM 887 C LYS A 62 6.946 -7.958 2.348 1.00 0.00 C ATOM 888 O LYS A 62 7.825 -7.975 1.488 1.00 0.00 O ATOM 889 CB LYS A 62 5.109 -7.230 0.718 1.00 0.00 C ATOM 890 CG LYS A 62 4.115 -8.386 0.592 1.00 0.00 C ATOM 891 CD LYS A 62 3.299 -8.271 -0.697 1.00 0.00 C ATOM 892 CE LYS A 62 3.882 -9.160 -1.797 1.00 0.00 C ATOM 893 NZ LYS A 62 5.027 -8.489 -2.453 1.00 0.00 N ATOM 0 H LYS A 62 5.683 -5.076 1.778 1.00 0.00 H new ATOM 0 HA LYS A 62 4.905 -7.571 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.617 -6.293 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.925 -7.369 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.652 -9.335 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.445 -8.389 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.265 -8.557 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.286 -7.234 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.205 -10.110 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.113 -9.386 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.785 -8.276 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.245 -7.604 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.857 -9.115 -2.427 1.00 0.00 H new