USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 313 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -0.83 K(o=-1.1,f=-0.16) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.229 K(o=-1.1,f=-0.16) USER MOD Single : A 4 TYR OH : rot 161:sc= 0.0813 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 11 GLN : amide:sc= 0.238 K(o=0.24,f=-8.8!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0538) USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.561 USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= -0.28 (180deg=-1.24!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.046 (180deg=-0.526) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.230 9.057 4.115 1.00 0.00 N ATOM 25 CA ASP A 3 -0.156 8.683 5.032 1.00 0.00 C ATOM 26 C ASP A 3 0.808 7.693 4.381 1.00 0.00 C ATOM 27 O ASP A 3 2.000 7.683 4.689 1.00 0.00 O ATOM 28 CB ASP A 3 -0.741 8.074 6.308 1.00 0.00 C ATOM 29 CG ASP A 3 0.123 8.342 7.525 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.637 7.369 8.114 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.286 9.526 7.888 1.00 0.00 O ATOM 0 HA ASP A 3 0.400 9.586 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.738 8.480 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.853 6.998 6.175 1.00 0.00 H new ATOM 36 N TYR A 4 0.285 6.865 3.483 1.00 0.00 N ATOM 37 CA TYR A 4 1.103 5.872 2.792 1.00 0.00 C ATOM 38 C TYR A 4 2.256 6.536 2.045 1.00 0.00 C ATOM 39 O TYR A 4 3.385 6.044 2.065 1.00 0.00 O ATOM 40 CB TYR A 4 0.246 5.066 1.816 1.00 0.00 C ATOM 41 CG TYR A 4 -1.006 4.496 2.441 1.00 0.00 C ATOM 42 CD1 TYR A 4 -0.931 3.574 3.477 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.264 4.882 1.996 1.00 0.00 C ATOM 44 CE1 TYR A 4 -2.073 3.053 4.053 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.412 4.365 2.566 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.311 3.452 3.594 1.00 0.00 C ATOM 47 OH TYR A 4 -4.452 2.935 4.164 1.00 0.00 O ATOM 0 H TYR A 4 -0.699 6.861 3.216 1.00 0.00 H new ATOM 0 HA TYR A 4 1.521 5.199 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.034 5.705 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.843 4.250 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 4 0.037 3.259 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.346 5.598 1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.997 2.337 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.383 4.675 2.208 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.213 3.516 3.957 1.00 0.00 H new ATOM 57 N SER A 5 1.965 7.654 1.389 1.00 0.00 N ATOM 58 CA SER A 5 2.979 8.386 0.637 1.00 0.00 C ATOM 59 C SER A 5 4.133 8.808 1.541 1.00 0.00 C ATOM 60 O SER A 5 5.258 8.997 1.078 1.00 0.00 O ATOM 61 CB SER A 5 2.359 9.617 -0.027 1.00 0.00 C ATOM 62 OG SER A 5 3.288 10.253 -0.889 1.00 0.00 O ATOM 0 H SER A 5 1.036 8.074 1.362 1.00 0.00 H new ATOM 0 HA SER A 5 3.372 7.723 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.475 9.323 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.028 10.319 0.738 1.00 0.00 H new ATOM 0 HG SER A 5 2.868 11.036 -1.302 1.00 0.00 H new ATOM 68 N SER A 6 3.847 8.958 2.830 1.00 0.00 N ATOM 69 CA SER A 6 4.862 9.361 3.797 1.00 0.00 C ATOM 70 C SER A 6 5.703 8.168 4.246 1.00 0.00 C ATOM 71 O SER A 6 6.819 8.337 4.739 1.00 0.00 O ATOM 72 CB SER A 6 4.205 10.019 5.012 1.00 0.00 C ATOM 73 OG SER A 6 3.668 11.287 4.677 1.00 0.00 O ATOM 0 H SER A 6 2.921 8.807 3.229 1.00 0.00 H new ATOM 0 HA SER A 6 5.520 10.080 3.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.413 9.375 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.939 10.131 5.810 1.00 0.00 H new ATOM 0 HG SER A 6 3.252 11.686 5.470 1.00 0.00 H new ATOM 79 N LEU A 7 5.165 6.964 4.077 1.00 0.00 N ATOM 80 CA LEU A 7 5.874 5.752 4.472 1.00 0.00 C ATOM 81 C LEU A 7 6.862 5.322 3.393 1.00 0.00 C ATOM 82 O LEU A 7 6.654 5.579 2.207 1.00 0.00 O ATOM 83 CB LEU A 7 4.888 4.613 4.751 1.00 0.00 C ATOM 84 CG LEU A 7 3.549 5.041 5.355 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.648 3.834 5.561 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.767 5.777 6.668 1.00 0.00 C ATOM 0 H LEU A 7 4.244 6.802 3.671 1.00 0.00 H new ATOM 0 HA LEU A 7 6.426 5.975 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.694 4.085 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.362 3.901 5.427 1.00 0.00 H new ATOM 0 HG LEU A 7 3.058 5.721 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.700 4.157 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.465 3.349 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.132 3.130 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.804 6.074 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.279 5.121 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.375 6.664 6.491 1.00 0.00 H new ATOM 98 N THR A 8 7.935 4.664 3.814 1.00 0.00 N ATOM 99 CA THR A 8 8.956 4.191 2.888 1.00 0.00 C ATOM 100 C THR A 8 8.456 2.981 2.109 1.00 0.00 C ATOM 101 O THR A 8 7.403 2.424 2.419 1.00 0.00 O ATOM 102 CB THR A 8 10.229 3.817 3.649 1.00 0.00 C ATOM 103 OG1 THR A 8 10.085 2.549 4.268 1.00 0.00 O ATOM 104 CG2 THR A 8 10.602 4.815 4.724 1.00 0.00 C ATOM 0 H THR A 8 8.121 4.446 4.793 1.00 0.00 H new ATOM 0 HA THR A 8 9.178 4.996 2.187 1.00 0.00 H new ATOM 0 HB THR A 8 11.021 3.806 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.909 2.324 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.514 4.488 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.767 5.793 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.794 4.884 5.452 1.00 0.00 H new ATOM 112 N VAL A 9 9.221 2.570 1.104 1.00 0.00 N ATOM 113 CA VAL A 9 8.851 1.415 0.297 1.00 0.00 C ATOM 114 C VAL A 9 8.758 0.171 1.170 1.00 0.00 C ATOM 115 O VAL A 9 7.840 -0.637 1.026 1.00 0.00 O ATOM 116 CB VAL A 9 9.863 1.166 -0.838 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.382 0.046 -1.749 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.099 2.441 -1.631 1.00 0.00 C ATOM 0 H VAL A 9 10.096 3.017 0.830 1.00 0.00 H new ATOM 0 HA VAL A 9 7.880 1.627 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 9 10.810 0.860 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.110 -0.115 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.269 -0.871 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.422 0.320 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.816 2.246 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.158 2.779 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.492 3.213 -0.970 1.00 0.00 H new ATOM 128 N VAL A 10 9.709 0.034 2.089 1.00 0.00 N ATOM 129 CA VAL A 10 9.728 -1.100 3.001 1.00 0.00 C ATOM 130 C VAL A 10 8.516 -1.058 3.921 1.00 0.00 C ATOM 131 O VAL A 10 7.891 -2.085 4.190 1.00 0.00 O ATOM 132 CB VAL A 10 11.011 -1.119 3.854 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.087 -2.398 4.675 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.241 -0.968 2.971 1.00 0.00 C ATOM 0 H VAL A 10 10.475 0.695 2.220 1.00 0.00 H new ATOM 0 HA VAL A 10 9.701 -2.006 2.395 1.00 0.00 H new ATOM 0 HB VAL A 10 10.981 -0.275 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.000 -2.394 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.222 -2.458 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.094 -3.259 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.138 -0.984 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.279 -1.790 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.188 -0.022 2.433 1.00 0.00 H new ATOM 144 N GLN A 11 8.180 0.141 4.390 1.00 0.00 N ATOM 145 CA GLN A 11 7.031 0.317 5.269 1.00 0.00 C ATOM 146 C GLN A 11 5.746 -0.025 4.526 1.00 0.00 C ATOM 147 O GLN A 11 4.904 -0.771 5.027 1.00 0.00 O ATOM 148 CB GLN A 11 6.973 1.755 5.788 1.00 0.00 C ATOM 149 CG GLN A 11 7.626 1.937 7.148 1.00 0.00 C ATOM 150 CD GLN A 11 8.013 3.378 7.422 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.902 4.239 6.549 1.00 0.00 O ATOM 152 NE2 GLN A 11 8.473 3.646 8.639 1.00 0.00 N ATOM 0 H GLN A 11 8.686 1.001 4.176 1.00 0.00 H new ATOM 0 HA GLN A 11 7.136 -0.356 6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.462 2.412 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.931 2.069 5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.941 1.595 7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.515 1.309 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.548 2.901 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.751 4.597 8.881 1.00 0.00 H new ATOM 161 N LEU A 12 5.609 0.517 3.319 1.00 0.00 N ATOM 162 CA LEU A 12 4.436 0.262 2.496 1.00 0.00 C ATOM 163 C LEU A 12 4.303 -1.229 2.206 1.00 0.00 C ATOM 164 O LEU A 12 3.206 -1.787 2.244 1.00 0.00 O ATOM 165 CB LEU A 12 4.532 1.042 1.184 1.00 0.00 C ATOM 166 CG LEU A 12 3.975 2.464 1.237 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.753 3.376 0.300 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.496 2.469 0.884 1.00 0.00 C ATOM 0 H LEU A 12 6.298 1.136 2.891 1.00 0.00 H new ATOM 0 HA LEU A 12 3.552 0.593 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.578 1.089 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.001 0.488 0.410 1.00 0.00 H new ATOM 0 HG LEU A 12 4.087 2.842 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.343 4.385 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.801 3.395 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.673 3.002 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.115 3.489 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.361 2.073 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.950 1.848 1.595 1.00 0.00 H new ATOM 180 N LYS A 13 5.434 -1.869 1.924 1.00 0.00 N ATOM 181 CA LYS A 13 5.452 -3.297 1.635 1.00 0.00 C ATOM 182 C LYS A 13 4.950 -4.094 2.834 1.00 0.00 C ATOM 183 O LYS A 13 4.198 -5.057 2.681 1.00 0.00 O ATOM 184 CB LYS A 13 6.865 -3.747 1.260 1.00 0.00 C ATOM 185 CG LYS A 13 7.104 -3.815 -0.240 1.00 0.00 C ATOM 186 CD LYS A 13 8.007 -4.980 -0.609 1.00 0.00 C ATOM 187 CE LYS A 13 8.585 -4.815 -2.006 1.00 0.00 C ATOM 188 NZ LYS A 13 9.696 -3.824 -2.033 1.00 0.00 N ATOM 0 H LYS A 13 6.349 -1.420 1.890 1.00 0.00 H new ATOM 0 HA LYS A 13 4.788 -3.483 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.586 -3.060 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.052 -4.729 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.150 -3.915 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.554 -2.883 -0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.818 -5.057 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.442 -5.911 -0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.949 -5.778 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.798 -4.497 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.257 -3.954 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.303 -2.861 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.306 -3.963 -1.202 1.00 0.00 H new ATOM 202 N ASP A 14 5.363 -3.680 4.027 1.00 0.00 N ATOM 203 CA ASP A 14 4.948 -4.349 5.252 1.00 0.00 C ATOM 204 C ASP A 14 3.441 -4.228 5.433 1.00 0.00 C ATOM 205 O ASP A 14 2.772 -5.182 5.831 1.00 0.00 O ATOM 206 CB ASP A 14 5.672 -3.750 6.459 1.00 0.00 C ATOM 207 CG ASP A 14 7.135 -4.146 6.512 1.00 0.00 C ATOM 208 OD1 ASP A 14 7.477 -5.224 5.983 1.00 0.00 O ATOM 209 OD2 ASP A 14 7.937 -3.377 7.081 1.00 0.00 O ATOM 0 H ASP A 14 5.985 -2.884 4.171 1.00 0.00 H new ATOM 0 HA ASP A 14 5.210 -5.404 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.594 -2.663 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.177 -4.075 7.374 1.00 0.00 H new ATOM 214 N LEU A 15 2.914 -3.046 5.129 1.00 0.00 N ATOM 215 CA LEU A 15 1.483 -2.796 5.248 1.00 0.00 C ATOM 216 C LEU A 15 0.702 -3.746 4.351 1.00 0.00 C ATOM 217 O LEU A 15 -0.278 -4.358 4.777 1.00 0.00 O ATOM 218 CB LEU A 15 1.166 -1.345 4.880 1.00 0.00 C ATOM 219 CG LEU A 15 1.234 -0.353 6.041 1.00 0.00 C ATOM 220 CD1 LEU A 15 1.131 1.076 5.529 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.134 -0.640 7.051 1.00 0.00 C ATOM 0 H LEU A 15 3.456 -2.248 4.799 1.00 0.00 H new ATOM 0 HA LEU A 15 1.186 -2.969 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.862 -1.022 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.166 -1.306 4.447 1.00 0.00 H new ATOM 0 HG LEU A 15 2.197 -0.470 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.181 1.768 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.954 1.277 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.184 1.208 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.197 0.075 7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.838 -0.551 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.253 -1.651 7.441 1.00 0.00 H new ATOM 233 N LEU A 16 1.153 -3.874 3.110 1.00 0.00 N ATOM 234 CA LEU A 16 0.510 -4.757 2.153 1.00 0.00 C ATOM 235 C LEU A 16 0.585 -6.200 2.636 1.00 0.00 C ATOM 236 O LEU A 16 -0.365 -6.968 2.485 1.00 0.00 O ATOM 237 CB LEU A 16 1.181 -4.623 0.786 1.00 0.00 C ATOM 238 CG LEU A 16 0.973 -3.277 0.090 1.00 0.00 C ATOM 239 CD1 LEU A 16 1.788 -3.209 -1.193 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.502 -3.050 -0.201 1.00 0.00 C ATOM 0 H LEU A 16 1.964 -3.375 2.744 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.539 -4.474 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.251 -4.791 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.806 -5.413 0.135 1.00 0.00 H new ATOM 0 HG LEU A 16 1.317 -2.487 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.628 -2.245 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.846 -3.326 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.475 -4.007 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.631 -2.088 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.871 -3.844 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.062 -3.055 0.734 1.00 0.00 H new ATOM 252 N THR A 17 1.716 -6.558 3.235 1.00 0.00 N ATOM 253 CA THR A 17 1.907 -7.905 3.755 1.00 0.00 C ATOM 254 C THR A 17 0.839 -8.224 4.793 1.00 0.00 C ATOM 255 O THR A 17 0.253 -9.307 4.787 1.00 0.00 O ATOM 256 CB THR A 17 3.300 -8.043 4.375 1.00 0.00 C ATOM 257 OG1 THR A 17 4.266 -7.362 3.595 1.00 0.00 O ATOM 258 CG2 THR A 17 3.754 -9.480 4.513 1.00 0.00 C ATOM 0 H THR A 17 2.512 -5.935 3.372 1.00 0.00 H new ATOM 0 HA THR A 17 1.819 -8.612 2.930 1.00 0.00 H new ATOM 0 HB THR A 17 3.217 -7.607 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.162 -6.395 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.748 -9.506 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.056 -10.022 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.785 -9.948 3.529 1.00 0.00 H new ATOM 266 N LYS A 18 0.584 -7.264 5.672 1.00 0.00 N ATOM 267 CA LYS A 18 -0.423 -7.427 6.711 1.00 0.00 C ATOM 268 C LYS A 18 -1.821 -7.471 6.099 1.00 0.00 C ATOM 269 O LYS A 18 -2.713 -8.147 6.611 1.00 0.00 O ATOM 270 CB LYS A 18 -0.328 -6.287 7.728 1.00 0.00 C ATOM 271 CG LYS A 18 0.149 -6.734 9.100 1.00 0.00 C ATOM 272 CD LYS A 18 1.626 -7.095 9.086 1.00 0.00 C ATOM 273 CE LYS A 18 2.308 -6.703 10.386 1.00 0.00 C ATOM 274 NZ LYS A 18 2.137 -5.254 10.689 1.00 0.00 N ATOM 0 H LYS A 18 1.062 -6.363 5.686 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.238 -8.371 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.353 -5.526 7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.307 -5.818 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.025 -5.938 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.434 -7.595 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.738 -8.167 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.116 -6.594 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.898 -7.296 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.371 -6.938 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.974 -4.904 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.025 -4.724 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.292 -5.120 11.281 1.00 0.00 H new ATOM 288 N ARG A 19 -2.003 -6.741 5.001 1.00 0.00 N ATOM 289 CA ARG A 19 -3.292 -6.694 4.318 1.00 0.00 C ATOM 290 C ARG A 19 -3.425 -7.819 3.290 1.00 0.00 C ATOM 291 O ARG A 19 -4.480 -7.986 2.678 1.00 0.00 O ATOM 292 CB ARG A 19 -3.472 -5.336 3.634 1.00 0.00 C ATOM 293 CG ARG A 19 -4.442 -4.415 4.356 1.00 0.00 C ATOM 294 CD ARG A 19 -4.429 -3.013 3.764 1.00 0.00 C ATOM 295 NE ARG A 19 -3.915 -2.025 4.709 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.636 -1.501 5.699 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.898 -1.868 5.877 1.00 0.00 N ATOM 298 NH2 ARG A 19 -4.092 -0.607 6.513 1.00 0.00 N ATOM 0 H ARG A 19 -1.275 -6.175 4.566 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.072 -6.831 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.502 -4.844 3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.825 -5.496 2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.449 -4.827 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.180 -4.367 5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.816 -3.006 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.440 -2.737 3.464 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.948 -1.718 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.322 -2.555 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.445 -1.463 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.122 -0.321 6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.644 -0.205 7.271 1.00 0.00 H new ATOM 312 N ASN A 20 -2.353 -8.587 3.102 1.00 0.00 N ATOM 313 CA ASN A 20 -2.361 -9.691 2.148 1.00 0.00 C ATOM 314 C ASN A 20 -2.560 -9.181 0.723 1.00 0.00 C ATOM 315 O ASN A 20 -3.336 -9.746 -0.048 1.00 0.00 O ATOM 316 CB ASN A 20 -3.457 -10.697 2.504 1.00 0.00 C ATOM 317 CG ASN A 20 -2.965 -11.778 3.447 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.404 -11.487 4.504 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.173 -13.033 3.069 1.00 0.00 N ATOM 0 H ASN A 20 -1.470 -8.464 3.598 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.393 -10.189 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.294 -10.171 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.833 -11.159 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.864 -13.802 3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.642 -13.228 2.185 1.00 0.00 H new ATOM 326 N LEU A 21 -1.854 -8.108 0.382 1.00 0.00 N ATOM 327 CA LEU A 21 -1.952 -7.521 -0.950 1.00 0.00 C ATOM 328 C LEU A 21 -0.685 -7.788 -1.756 1.00 0.00 C ATOM 329 O LEU A 21 0.361 -8.117 -1.196 1.00 0.00 O ATOM 330 CB LEU A 21 -2.199 -6.015 -0.849 1.00 0.00 C ATOM 331 CG LEU A 21 -3.563 -5.620 -0.281 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.612 -4.125 -0.005 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.674 -6.025 -1.237 1.00 0.00 C ATOM 0 H LEU A 21 -1.208 -7.627 1.009 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.793 -7.986 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.421 -5.576 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.095 -5.578 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.711 -6.147 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.590 -3.861 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.839 -3.863 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.443 -3.578 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.638 -5.737 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.531 -5.524 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.651 -7.105 -1.385 1.00 0.00 H new ATOM 345 N SER A 22 -0.787 -7.646 -3.073 1.00 0.00 N ATOM 346 CA SER A 22 0.351 -7.872 -3.957 1.00 0.00 C ATOM 347 C SER A 22 1.303 -6.679 -3.936 1.00 0.00 C ATOM 348 O SER A 22 0.877 -5.530 -4.051 1.00 0.00 O ATOM 349 CB SER A 22 -0.129 -8.131 -5.386 1.00 0.00 C ATOM 350 OG SER A 22 -0.290 -9.519 -5.626 1.00 0.00 O ATOM 0 H SER A 22 -1.646 -7.375 -3.552 1.00 0.00 H new ATOM 0 HA SER A 22 0.889 -8.749 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.076 -7.617 -5.554 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.588 -7.717 -6.095 1.00 0.00 H new ATOM 0 HG SER A 22 -0.599 -9.658 -6.545 1.00 0.00 H new ATOM 356 N VAL A 23 2.593 -6.962 -3.788 1.00 0.00 N ATOM 357 CA VAL A 23 3.606 -5.913 -3.751 1.00 0.00 C ATOM 358 C VAL A 23 4.410 -5.869 -5.049 1.00 0.00 C ATOM 359 O VAL A 23 5.509 -5.316 -5.088 1.00 0.00 O ATOM 360 CB VAL A 23 4.575 -6.110 -2.570 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.861 -5.872 -1.248 1.00 0.00 C ATOM 362 CG2 VAL A 23 5.188 -7.501 -2.610 1.00 0.00 C ATOM 0 H VAL A 23 2.962 -7.908 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 23 3.074 -4.970 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 23 5.380 -5.380 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.561 -6.016 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.474 -4.853 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.035 -6.576 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.870 -7.622 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.398 -8.249 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.737 -7.630 -3.543 1.00 0.00 H new ATOM 372 N GLY A 24 3.860 -6.456 -6.108 1.00 0.00 N ATOM 373 CA GLY A 24 4.545 -6.469 -7.388 1.00 0.00 C ATOM 374 C GLY A 24 4.548 -5.111 -8.063 1.00 0.00 C ATOM 375 O GLY A 24 5.437 -4.808 -8.857 1.00 0.00 O ATOM 0 H GLY A 24 2.953 -6.922 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.573 -6.800 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.066 -7.196 -8.044 1.00 0.00 H new ATOM 379 N GLY A 25 3.550 -4.293 -7.747 1.00 0.00 N ATOM 380 CA GLY A 25 3.460 -2.971 -8.339 1.00 0.00 C ATOM 381 C GLY A 25 4.460 -1.998 -7.746 1.00 0.00 C ATOM 382 O GLY A 25 5.041 -2.257 -6.692 1.00 0.00 O ATOM 0 H GLY A 25 2.802 -4.521 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.625 -3.046 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.452 -2.581 -8.198 1.00 0.00 H new ATOM 386 N LEU A 26 4.660 -0.873 -8.426 1.00 0.00 N ATOM 387 CA LEU A 26 5.595 0.146 -7.961 1.00 0.00 C ATOM 388 C LEU A 26 5.087 0.807 -6.684 1.00 0.00 C ATOM 389 O LEU A 26 3.943 0.599 -6.281 1.00 0.00 O ATOM 390 CB LEU A 26 5.806 1.204 -9.046 1.00 0.00 C ATOM 391 CG LEU A 26 7.000 0.957 -9.969 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.992 1.944 -11.127 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.303 1.055 -9.191 1.00 0.00 C ATOM 0 H LEU A 26 4.187 -0.644 -9.300 1.00 0.00 H new ATOM 0 HA LEU A 26 6.547 -0.339 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.903 1.264 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.932 2.174 -8.566 1.00 0.00 H new ATOM 0 HG LEU A 26 6.918 -0.051 -10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.849 1.753 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.072 1.826 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.050 2.961 -10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.142 0.877 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.392 2.050 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.309 0.309 -8.397 1.00 0.00 H new ATOM 405 N LYS A 27 5.944 1.605 -6.052 1.00 0.00 N ATOM 406 CA LYS A 27 5.580 2.301 -4.819 1.00 0.00 C ATOM 407 C LYS A 27 4.236 3.007 -4.968 1.00 0.00 C ATOM 408 O LYS A 27 3.366 2.899 -4.103 1.00 0.00 O ATOM 409 CB LYS A 27 6.663 3.314 -4.444 1.00 0.00 C ATOM 410 CG LYS A 27 6.572 3.797 -3.006 1.00 0.00 C ATOM 411 CD LYS A 27 7.532 4.945 -2.741 1.00 0.00 C ATOM 412 CE LYS A 27 7.280 5.582 -1.385 1.00 0.00 C ATOM 413 NZ LYS A 27 8.237 5.092 -0.355 1.00 0.00 N ATOM 0 H LYS A 27 6.895 1.786 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 27 5.493 1.560 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.642 2.863 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.593 4.172 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.552 4.118 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.795 2.972 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.558 4.580 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.425 5.697 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.363 6.665 -1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.261 5.365 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.818 5.205 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.444 4.087 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.118 5.641 -0.411 1.00 0.00 H new ATOM 427 N ASN A 28 4.073 3.724 -6.074 1.00 0.00 N ATOM 428 CA ASN A 28 2.833 4.443 -6.344 1.00 0.00 C ATOM 429 C ASN A 28 1.650 3.481 -6.375 1.00 0.00 C ATOM 430 O ASN A 28 0.540 3.830 -5.973 1.00 0.00 O ATOM 431 CB ASN A 28 2.932 5.194 -7.673 1.00 0.00 C ATOM 432 CG ASN A 28 1.738 6.095 -7.918 1.00 0.00 C ATOM 433 OD1 ASN A 28 1.824 7.314 -7.768 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.614 5.498 -8.296 1.00 0.00 N ATOM 0 H ASN A 28 4.784 3.823 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 28 2.674 5.164 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.843 5.792 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.015 4.475 -8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.223 6.053 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.588 4.485 -8.408 1.00 0.00 H new ATOM 441 N GLU A 29 1.899 2.264 -6.849 1.00 0.00 N ATOM 442 CA GLU A 29 0.859 1.247 -6.927 1.00 0.00 C ATOM 443 C GLU A 29 0.477 0.779 -5.531 1.00 0.00 C ATOM 444 O GLU A 29 -0.687 0.494 -5.254 1.00 0.00 O ATOM 445 CB GLU A 29 1.333 0.063 -7.773 1.00 0.00 C ATOM 446 CG GLU A 29 0.782 0.067 -9.189 1.00 0.00 C ATOM 447 CD GLU A 29 0.649 -1.328 -9.766 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.475 -1.694 -10.629 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.280 -2.055 -9.357 1.00 0.00 O ATOM 0 H GLU A 29 2.813 1.959 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.019 1.683 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.422 0.071 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.040 -0.865 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.194 0.553 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.437 0.660 -9.828 1.00 0.00 H new ATOM 456 N LEU A 30 1.471 0.711 -4.652 1.00 0.00 N ATOM 457 CA LEU A 30 1.246 0.288 -3.278 1.00 0.00 C ATOM 458 C LEU A 30 0.354 1.289 -2.554 1.00 0.00 C ATOM 459 O LEU A 30 -0.591 0.908 -1.862 1.00 0.00 O ATOM 460 CB LEU A 30 2.579 0.146 -2.538 1.00 0.00 C ATOM 461 CG LEU A 30 3.722 -0.459 -3.357 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.926 -0.732 -2.468 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.269 -1.736 -4.048 1.00 0.00 C ATOM 0 H LEU A 30 2.440 0.944 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 30 0.747 -0.681 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.887 1.131 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.421 -0.472 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 30 4.014 0.260 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.730 -1.162 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.267 0.201 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.646 -1.431 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.096 -2.150 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.949 -2.461 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.437 -1.513 -4.716 1.00 0.00 H new ATOM 475 N VAL A 31 0.656 2.573 -2.725 1.00 0.00 N ATOM 476 CA VAL A 31 -0.122 3.630 -2.094 1.00 0.00 C ATOM 477 C VAL A 31 -1.560 3.615 -2.596 1.00 0.00 C ATOM 478 O VAL A 31 -2.505 3.659 -1.810 1.00 0.00 O ATOM 479 CB VAL A 31 0.493 5.017 -2.362 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.260 6.098 -1.599 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.970 5.026 -1.995 1.00 0.00 C ATOM 0 H VAL A 31 1.434 2.905 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.110 3.441 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 31 0.404 5.231 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.191 7.069 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.303 6.109 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.209 5.892 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.388 6.014 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.084 4.787 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.498 4.284 -2.593 1.00 0.00 H new ATOM 491 N GLN A 32 -1.713 3.545 -3.912 1.00 0.00 N ATOM 492 CA GLN A 32 -3.035 3.514 -4.528 1.00 0.00 C ATOM 493 C GLN A 32 -3.787 2.251 -4.126 1.00 0.00 C ATOM 494 O GLN A 32 -5.003 2.274 -3.939 1.00 0.00 O ATOM 495 CB GLN A 32 -2.914 3.590 -6.052 1.00 0.00 C ATOM 496 CG GLN A 32 -2.843 5.011 -6.586 1.00 0.00 C ATOM 497 CD GLN A 32 -3.572 5.175 -7.906 1.00 0.00 C ATOM 498 OE1 GLN A 32 -3.006 5.658 -8.886 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.837 4.771 -7.936 1.00 0.00 N ATOM 0 H GLN A 32 -0.938 3.509 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.596 4.379 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.021 3.048 -6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.768 3.084 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.271 5.693 -5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.799 5.295 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.266 4.376 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.379 4.856 -8.796 1.00 0.00 H new ATOM 508 N ARG A 33 -3.054 1.149 -3.992 1.00 0.00 N ATOM 509 CA ARG A 33 -3.658 -0.121 -3.607 1.00 0.00 C ATOM 510 C ARG A 33 -4.291 -0.010 -2.226 1.00 0.00 C ATOM 511 O ARG A 33 -5.425 -0.442 -2.014 1.00 0.00 O ATOM 512 CB ARG A 33 -2.608 -1.234 -3.616 1.00 0.00 C ATOM 513 CG ARG A 33 -3.201 -2.631 -3.530 1.00 0.00 C ATOM 514 CD ARG A 33 -2.377 -3.635 -4.319 1.00 0.00 C ATOM 515 NE ARG A 33 -2.404 -3.357 -5.753 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.060 -4.242 -6.686 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.663 -5.460 -6.341 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.113 -3.907 -7.968 1.00 0.00 N ATOM 0 H ARG A 33 -2.046 1.110 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.436 -0.367 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.015 -1.155 -4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.926 -1.086 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.253 -2.942 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.222 -2.618 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.346 -3.616 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.758 -4.640 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.704 -2.431 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.620 -5.723 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.401 -6.134 -7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.417 -2.972 -8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.850 -4.585 -8.683 1.00 0.00 H new ATOM 532 N LEU A 34 -3.558 0.591 -1.295 1.00 0.00 N ATOM 533 CA LEU A 34 -4.056 0.781 0.061 1.00 0.00 C ATOM 534 C LEU A 34 -5.216 1.768 0.052 1.00 0.00 C ATOM 535 O LEU A 34 -6.176 1.630 0.810 1.00 0.00 O ATOM 536 CB LEU A 34 -2.939 1.289 0.973 1.00 0.00 C ATOM 537 CG LEU A 34 -1.856 0.260 1.307 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.496 0.931 1.413 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.196 -0.468 2.599 1.00 0.00 C ATOM 0 H LEU A 34 -2.618 0.954 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.406 -0.177 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.467 2.150 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.383 1.642 1.904 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.814 -0.471 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.261 0.184 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.250 1.407 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.522 1.684 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.416 -1.196 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.265 0.252 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.151 -0.982 2.487 1.00 0.00 H new ATOM 551 N ILE A 35 -5.112 2.764 -0.823 1.00 0.00 N ATOM 552 CA ILE A 35 -6.140 3.785 -0.959 1.00 0.00 C ATOM 553 C ILE A 35 -7.438 3.180 -1.491 1.00 0.00 C ATOM 554 O ILE A 35 -8.524 3.486 -1.001 1.00 0.00 O ATOM 555 CB ILE A 35 -5.667 4.915 -1.902 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.505 5.680 -1.266 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.808 5.864 -2.241 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.599 6.351 -2.275 1.00 0.00 C ATOM 0 H ILE A 35 -4.318 2.884 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.326 4.204 0.030 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.324 4.461 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.905 6.436 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.915 4.991 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.444 6.648 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.607 5.311 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.191 6.314 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.798 6.874 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.170 5.598 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.175 7.065 -2.864 1.00 0.00 H new ATOM 570 N LYS A 36 -7.314 2.319 -2.497 1.00 0.00 N ATOM 571 CA LYS A 36 -8.475 1.670 -3.093 1.00 0.00 C ATOM 572 C LYS A 36 -9.144 0.731 -2.095 1.00 0.00 C ATOM 573 O LYS A 36 -10.369 0.707 -1.973 1.00 0.00 O ATOM 574 CB LYS A 36 -8.064 0.897 -4.350 1.00 0.00 C ATOM 575 CG LYS A 36 -8.853 1.288 -5.589 1.00 0.00 C ATOM 576 CD LYS A 36 -9.462 0.073 -6.272 1.00 0.00 C ATOM 577 CE LYS A 36 -10.052 0.432 -7.626 1.00 0.00 C ATOM 578 NZ LYS A 36 -11.495 0.787 -7.525 1.00 0.00 N ATOM 0 H LYS A 36 -6.422 2.055 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.192 2.443 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.003 1.062 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.193 -0.170 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.644 1.985 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.199 1.809 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.699 -0.695 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.239 -0.352 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.501 1.270 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.932 -0.409 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.861 1.026 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.025 -0.022 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.608 1.605 -6.893 1.00 0.00 H new ATOM 592 N ASP A 37 -8.332 -0.043 -1.382 1.00 0.00 N ATOM 593 CA ASP A 37 -8.844 -0.984 -0.393 1.00 0.00 C ATOM 594 C ASP A 37 -9.610 -0.255 0.705 1.00 0.00 C ATOM 595 O ASP A 37 -10.695 -0.677 1.104 1.00 0.00 O ATOM 596 CB ASP A 37 -7.696 -1.790 0.218 1.00 0.00 C ATOM 597 CG ASP A 37 -8.074 -3.237 0.469 1.00 0.00 C ATOM 598 OD1 ASP A 37 -9.274 -3.508 0.684 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.170 -4.098 0.451 1.00 0.00 O ATOM 0 H ASP A 37 -7.316 -0.037 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.529 -1.666 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.835 -1.753 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.392 -1.329 1.158 1.00 0.00 H new ATOM 604 N ASP A 38 -9.038 0.843 1.189 1.00 0.00 N ATOM 605 CA ASP A 38 -9.669 1.632 2.241 1.00 0.00 C ATOM 606 C ASP A 38 -10.976 2.244 1.750 1.00 0.00 C ATOM 607 O ASP A 38 -11.970 2.277 2.475 1.00 0.00 O ATOM 608 CB ASP A 38 -8.721 2.735 2.718 1.00 0.00 C ATOM 609 CG ASP A 38 -7.861 2.293 3.885 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.709 1.069 4.081 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.339 3.171 4.603 1.00 0.00 O ATOM 0 H ASP A 38 -8.140 1.206 0.870 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.891 0.968 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.079 3.041 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.303 3.609 3.010 1.00 0.00 H new ATOM 616 N GLU A 39 -10.965 2.727 0.515 1.00 0.00 N ATOM 617 CA GLU A 39 -12.148 3.339 -0.079 1.00 0.00 C ATOM 618 C GLU A 39 -13.216 2.288 -0.367 1.00 0.00 C ATOM 619 O GLU A 39 -14.413 2.566 -0.279 1.00 0.00 O ATOM 620 CB GLU A 39 -11.775 4.074 -1.368 1.00 0.00 C ATOM 621 CG GLU A 39 -11.515 5.558 -1.168 1.00 0.00 C ATOM 622 CD GLU A 39 -12.409 6.430 -2.028 1.00 0.00 C ATOM 623 OE1 GLU A 39 -12.715 7.565 -1.606 1.00 0.00 O ATOM 624 OE2 GLU A 39 -12.804 5.978 -3.123 1.00 0.00 O ATOM 0 H GLU A 39 -10.149 2.707 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.554 4.057 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.885 3.612 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.579 3.949 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.668 5.811 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.472 5.774 -1.399 1.00 0.00 H new