USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 278 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 5 TYR OH : rot 162:sc= 0.292 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 162:sc= -1.4! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.609 F(o=-1.5,f=-0.61) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= 0.394 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.06 F(o=-1.8,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.31) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 2.003 -6.691 -2.950 1.00 0.00 N ATOM 43 CA TYR A 5 2.845 -5.562 -2.584 1.00 0.00 C ATOM 44 C TYR A 5 4.035 -6.001 -1.744 1.00 0.00 C ATOM 45 O TYR A 5 5.103 -5.390 -1.789 1.00 0.00 O ATOM 46 CB TYR A 5 2.022 -4.536 -1.816 1.00 0.00 C ATOM 47 CG TYR A 5 0.773 -4.113 -2.545 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.823 -3.127 -3.516 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.455 -4.697 -2.263 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.312 -2.729 -4.186 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.598 -4.306 -2.927 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.523 -3.319 -3.888 1.00 0.00 C ATOM 53 OH TYR A 5 -2.660 -2.924 -4.555 1.00 0.00 O ATOM 0 HA TYR A 5 3.229 -5.116 -3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.746 -4.952 -0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.637 -3.657 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.769 -2.662 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.515 -5.470 -1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.255 -1.959 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.546 -4.769 -2.696 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.355 -3.607 -4.451 1.00 0.00 H new ATOM 63 N SER A 6 3.843 -7.068 -0.978 1.00 0.00 N ATOM 64 CA SER A 6 4.897 -7.599 -0.124 1.00 0.00 C ATOM 65 C SER A 6 6.197 -7.782 -0.906 1.00 0.00 C ATOM 66 O SER A 6 7.286 -7.763 -0.330 1.00 0.00 O ATOM 67 CB SER A 6 4.446 -8.924 0.486 1.00 0.00 C ATOM 68 OG SER A 6 5.271 -9.291 1.579 1.00 0.00 O ATOM 0 H SER A 6 2.964 -7.584 -0.931 1.00 0.00 H new ATOM 0 HA SER A 6 5.090 -6.885 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.412 -8.841 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.474 -9.706 -0.273 1.00 0.00 H new ATOM 0 HG SER A 6 4.960 -10.142 1.952 1.00 0.00 H new ATOM 74 N SER A 7 6.078 -7.951 -2.221 1.00 0.00 N ATOM 75 CA SER A 7 7.243 -8.125 -3.081 1.00 0.00 C ATOM 76 C SER A 7 7.619 -6.808 -3.758 1.00 0.00 C ATOM 77 O SER A 7 8.781 -6.587 -4.103 1.00 0.00 O ATOM 78 CB SER A 7 6.967 -9.197 -4.136 1.00 0.00 C ATOM 79 OG SER A 7 7.417 -10.469 -3.702 1.00 0.00 O ATOM 0 H SER A 7 5.185 -7.971 -2.713 1.00 0.00 H new ATOM 0 HA SER A 7 8.080 -8.445 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.898 -9.238 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.465 -8.931 -5.068 1.00 0.00 H new ATOM 0 HG SER A 7 7.227 -11.137 -4.394 1.00 0.00 H new ATOM 85 N LEU A 8 6.630 -5.936 -3.943 1.00 0.00 N ATOM 86 CA LEU A 8 6.856 -4.639 -4.576 1.00 0.00 C ATOM 87 C LEU A 8 7.905 -3.837 -3.810 1.00 0.00 C ATOM 88 O LEU A 8 8.613 -4.376 -2.960 1.00 0.00 O ATOM 89 CB LEU A 8 5.542 -3.851 -4.642 1.00 0.00 C ATOM 90 CG LEU A 8 4.952 -3.678 -6.044 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.775 -4.617 -6.241 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.523 -2.236 -6.269 1.00 0.00 C ATOM 0 H LEU A 8 5.664 -6.105 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 8 7.224 -4.811 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.805 -4.353 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.708 -2.864 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 8 5.721 -3.926 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.366 -4.483 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.108 -5.648 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.005 -4.395 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.106 -2.132 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.768 -1.962 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.387 -1.579 -6.166 1.00 0.00 H new ATOM 104 N THR A 9 7.993 -2.543 -4.110 1.00 0.00 N ATOM 105 CA THR A 9 8.948 -1.668 -3.440 1.00 0.00 C ATOM 106 C THR A 9 8.223 -0.659 -2.559 1.00 0.00 C ATOM 107 O THR A 9 7.050 -0.358 -2.776 1.00 0.00 O ATOM 108 CB THR A 9 9.827 -0.934 -4.459 1.00 0.00 C ATOM 109 OG1 THR A 9 10.277 0.305 -3.934 1.00 0.00 O ATOM 110 CG2 THR A 9 9.127 -0.647 -5.771 1.00 0.00 C ATOM 0 H THR A 9 7.415 -2.079 -4.811 1.00 0.00 H new ATOM 0 HA THR A 9 9.588 -2.289 -2.813 1.00 0.00 H new ATOM 0 HB THR A 9 10.659 -1.610 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.046 0.620 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.810 -0.126 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.814 -1.585 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.252 -0.023 -5.588 1.00 0.00 H new ATOM 118 N VAL A 10 8.931 -0.136 -1.568 1.00 0.00 N ATOM 119 CA VAL A 10 8.358 0.842 -0.657 1.00 0.00 C ATOM 120 C VAL A 10 7.931 2.097 -1.401 1.00 0.00 C ATOM 121 O VAL A 10 6.978 2.763 -1.008 1.00 0.00 O ATOM 122 CB VAL A 10 9.361 1.245 0.438 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.574 0.104 1.421 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.677 1.678 -0.193 1.00 0.00 C ATOM 0 H VAL A 10 9.904 -0.373 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 10 7.489 0.371 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 10 8.952 2.089 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.287 0.411 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.625 -0.153 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.963 -0.765 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.380 1.961 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.092 0.853 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.503 2.530 -0.850 1.00 0.00 H new ATOM 134 N VAL A 11 8.648 2.416 -2.475 1.00 0.00 N ATOM 135 CA VAL A 11 8.349 3.601 -3.268 1.00 0.00 C ATOM 136 C VAL A 11 7.061 3.424 -4.057 1.00 0.00 C ATOM 137 O VAL A 11 6.225 4.327 -4.118 1.00 0.00 O ATOM 138 CB VAL A 11 9.503 3.933 -4.239 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.833 3.852 -3.517 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.497 2.999 -5.443 1.00 0.00 C ATOM 0 H VAL A 11 9.440 1.870 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 11 8.227 4.429 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 11 9.357 4.950 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.639 4.088 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.844 4.565 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.974 2.844 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.321 3.258 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.613 1.969 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.553 3.101 -5.978 1.00 0.00 H new ATOM 150 N GLN A 12 6.906 2.253 -4.654 1.00 0.00 N ATOM 151 CA GLN A 12 5.720 1.956 -5.436 1.00 0.00 C ATOM 152 C GLN A 12 4.537 1.739 -4.516 1.00 0.00 C ATOM 153 O GLN A 12 3.424 2.172 -4.806 1.00 0.00 O ATOM 154 CB GLN A 12 5.942 0.720 -6.306 1.00 0.00 C ATOM 155 CG GLN A 12 6.869 0.965 -7.486 1.00 0.00 C ATOM 156 CD GLN A 12 7.101 -0.282 -8.315 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.364 -0.566 -8.616 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.159 -0.984 -8.681 1.00 0.00 N flip ATOM 0 H GLN A 12 7.587 1.494 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 12 5.515 2.804 -6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.355 -0.078 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.979 0.370 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.446 1.744 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.826 1.337 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.204 -0.729 -8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.333 -1.821 -9.238 1.00 0.00 H new ATOM 167 N LEU A 13 4.793 1.067 -3.400 1.00 0.00 N ATOM 168 CA LEU A 13 3.753 0.788 -2.426 1.00 0.00 C ATOM 169 C LEU A 13 3.119 2.077 -1.916 1.00 0.00 C ATOM 170 O LEU A 13 1.908 2.259 -2.001 1.00 0.00 O ATOM 171 CB LEU A 13 4.321 -0.019 -1.255 1.00 0.00 C ATOM 172 CG LEU A 13 3.900 -1.490 -1.221 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.911 -2.349 -1.959 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.742 -1.969 0.213 1.00 0.00 C ATOM 0 H LEU A 13 5.714 0.706 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 13 2.980 0.199 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.409 0.031 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.012 0.454 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 13 2.936 -1.582 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.596 -3.392 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.976 -2.023 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.888 -2.249 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.442 -3.017 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.691 -1.861 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.980 -1.372 0.714 1.00 0.00 H new ATOM 186 N LYS A 14 3.943 2.970 -1.386 1.00 0.00 N ATOM 187 CA LYS A 14 3.447 4.234 -0.860 1.00 0.00 C ATOM 188 C LYS A 14 2.956 5.154 -1.975 1.00 0.00 C ATOM 189 O LYS A 14 2.048 5.956 -1.767 1.00 0.00 O ATOM 190 CB LYS A 14 4.532 4.933 -0.047 1.00 0.00 C ATOM 191 CG LYS A 14 5.716 5.392 -0.878 1.00 0.00 C ATOM 192 CD LYS A 14 6.724 6.173 -0.046 1.00 0.00 C ATOM 193 CE LYS A 14 6.049 7.232 0.813 1.00 0.00 C ATOM 194 NZ LYS A 14 6.855 8.481 0.891 1.00 0.00 N ATOM 0 H LYS A 14 4.952 2.844 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 14 2.600 4.010 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.097 5.796 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.885 4.255 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.206 4.525 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.363 6.015 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.278 5.485 0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.449 6.649 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.066 7.460 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.891 6.838 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.360 9.177 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.784 8.269 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.984 8.871 -0.064 1.00 0.00 H new ATOM 208 N ASP A 15 3.550 5.036 -3.160 1.00 0.00 N ATOM 209 CA ASP A 15 3.147 5.866 -4.289 1.00 0.00 C ATOM 210 C ASP A 15 1.713 5.537 -4.689 1.00 0.00 C ATOM 211 O ASP A 15 0.853 6.419 -4.791 1.00 0.00 O ATOM 212 CB ASP A 15 4.097 5.650 -5.471 1.00 0.00 C ATOM 213 CG ASP A 15 3.723 6.490 -6.676 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.776 5.963 -7.807 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.377 7.676 -6.489 1.00 0.00 O ATOM 0 H ASP A 15 4.305 4.380 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 15 3.197 6.914 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.114 5.893 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.091 4.596 -5.750 1.00 0.00 H new ATOM 220 N LEU A 16 1.454 4.253 -4.881 1.00 0.00 N ATOM 221 CA LEU A 16 0.128 3.796 -5.236 1.00 0.00 C ATOM 222 C LEU A 16 -0.821 4.052 -4.074 1.00 0.00 C ATOM 223 O LEU A 16 -2.014 4.294 -4.262 1.00 0.00 O ATOM 224 CB LEU A 16 0.172 2.305 -5.611 1.00 0.00 C ATOM 225 CG LEU A 16 -0.286 1.312 -4.529 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.273 0.310 -5.100 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.904 0.587 -3.931 1.00 0.00 C ATOM 0 H LEU A 16 2.149 3.511 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.237 4.346 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.449 2.157 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.194 2.054 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.783 1.878 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.583 -0.382 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.146 0.838 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.800 -0.246 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.559 -0.111 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.427 0.038 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.582 1.311 -3.480 1.00 0.00 H new ATOM 239 N LEU A 17 -0.270 3.986 -2.865 1.00 0.00 N ATOM 240 CA LEU A 17 -1.050 4.198 -1.658 1.00 0.00 C ATOM 241 C LEU A 17 -1.705 5.565 -1.660 1.00 0.00 C ATOM 242 O LEU A 17 -2.928 5.681 -1.567 1.00 0.00 O ATOM 243 CB LEU A 17 -0.142 4.094 -0.445 1.00 0.00 C ATOM 244 CG LEU A 17 -0.001 2.700 0.133 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.053 2.696 1.231 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.346 2.217 0.648 1.00 0.00 C ATOM 0 H LEU A 17 0.716 3.787 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.829 3.436 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.848 4.459 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.522 4.756 0.333 1.00 0.00 H new ATOM 0 HG LEU A 17 0.327 2.012 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.148 1.690 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.011 3.011 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.756 3.384 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.238 1.215 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.703 2.894 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.063 2.195 -0.172 1.00 0.00 H new ATOM 258 N THR A 18 -0.888 6.601 -1.797 1.00 0.00 N ATOM 259 CA THR A 18 -1.411 7.958 -1.840 1.00 0.00 C ATOM 260 C THR A 18 -2.316 8.088 -3.052 1.00 0.00 C ATOM 261 O THR A 18 -3.293 8.835 -3.036 1.00 0.00 O ATOM 262 CB THR A 18 -0.289 9.010 -1.873 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.644 10.106 -2.699 1.00 0.00 O ATOM 264 CG2 THR A 18 1.040 8.481 -2.365 1.00 0.00 C ATOM 0 H THR A 18 0.126 6.529 -1.879 1.00 0.00 H new ATOM 0 HA THR A 18 -1.979 8.146 -0.929 1.00 0.00 H new ATOM 0 HB THR A 18 -0.170 9.315 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.084 10.762 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.777 9.284 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.375 7.675 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.927 8.101 -3.380 1.00 0.00 H new ATOM 272 N LYS A 19 -1.993 7.328 -4.097 1.00 0.00 N ATOM 273 CA LYS A 19 -2.795 7.338 -5.306 1.00 0.00 C ATOM 274 C LYS A 19 -4.220 6.865 -5.003 1.00 0.00 C ATOM 275 O LYS A 19 -5.180 7.343 -5.607 1.00 0.00 O ATOM 276 CB LYS A 19 -2.161 6.450 -6.379 1.00 0.00 C ATOM 277 CG LYS A 19 -1.305 7.216 -7.374 1.00 0.00 C ATOM 278 CD LYS A 19 -0.539 6.276 -8.291 1.00 0.00 C ATOM 279 CE LYS A 19 0.895 6.736 -8.490 1.00 0.00 C ATOM 280 NZ LYS A 19 1.352 6.545 -9.895 1.00 0.00 N ATOM 0 H LYS A 19 -1.187 6.704 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.837 8.360 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.548 5.690 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.950 5.927 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.939 7.872 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.603 7.853 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.544 5.271 -7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.041 6.219 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.979 7.789 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.550 6.183 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.335 6.871 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.297 5.537 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.743 7.093 -10.536 1.00 0.00 H new ATOM 351 N SER A 23 -3.088 6.224 2.223 1.00 0.00 N ATOM 352 CA SER A 23 -1.945 6.873 2.866 1.00 0.00 C ATOM 353 C SER A 23 -0.745 5.951 2.920 1.00 0.00 C ATOM 354 O SER A 23 -0.793 4.806 2.472 1.00 0.00 O ATOM 355 CB SER A 23 -2.246 7.349 4.285 1.00 0.00 C ATOM 356 OG SER A 23 -2.895 8.609 4.281 1.00 0.00 O ATOM 0 HA SER A 23 -1.726 7.744 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.874 6.616 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.318 7.418 4.852 1.00 0.00 H new ATOM 0 HG SER A 23 -3.076 8.887 5.203 1.00 0.00 H new ATOM 362 N VAL A 24 0.334 6.478 3.470 1.00 0.00 N ATOM 363 CA VAL A 24 1.574 5.743 3.593 1.00 0.00 C ATOM 364 C VAL A 24 2.157 5.868 5.000 1.00 0.00 C ATOM 365 O VAL A 24 3.221 5.319 5.286 1.00 0.00 O ATOM 366 CB VAL A 24 2.590 6.260 2.566 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.913 6.438 1.219 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.195 7.573 3.039 1.00 0.00 C ATOM 0 H VAL A 24 0.373 7.427 3.843 1.00 0.00 H new ATOM 0 HA VAL A 24 1.362 4.691 3.404 1.00 0.00 H new ATOM 0 HB VAL A 24 3.394 5.532 2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.638 6.805 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.515 5.481 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.098 7.156 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.914 7.929 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.405 8.314 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.700 7.418 3.993 1.00 0.00 H new ATOM 378 N GLY A 25 1.460 6.585 5.877 1.00 0.00 N ATOM 379 CA GLY A 25 1.931 6.747 7.238 1.00 0.00 C ATOM 380 C GLY A 25 1.829 5.456 8.022 1.00 0.00 C ATOM 381 O GLY A 25 1.111 5.378 9.019 1.00 0.00 O ATOM 0 H GLY A 25 0.579 7.055 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.967 7.085 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.348 7.522 7.735 1.00 0.00 H new ATOM 385 N GLY A 26 2.545 4.439 7.559 1.00 0.00 N ATOM 386 CA GLY A 26 2.524 3.151 8.213 1.00 0.00 C ATOM 387 C GLY A 26 3.813 2.389 7.994 1.00 0.00 C ATOM 388 O GLY A 26 4.736 2.477 8.802 1.00 0.00 O ATOM 0 H GLY A 26 3.144 4.488 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.360 3.289 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.686 2.565 7.835 1.00 0.00 H new ATOM 392 N LEU A 27 3.873 1.639 6.894 1.00 0.00 N ATOM 393 CA LEU A 27 5.049 0.849 6.547 1.00 0.00 C ATOM 394 C LEU A 27 4.737 -0.097 5.395 1.00 0.00 C ATOM 395 O LEU A 27 3.576 -0.346 5.093 1.00 0.00 O ATOM 396 CB LEU A 27 5.526 0.050 7.755 1.00 0.00 C ATOM 397 CG LEU A 27 6.979 0.291 8.158 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.923 -0.296 7.123 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.253 1.781 8.341 1.00 0.00 C ATOM 0 H LEU A 27 3.109 1.563 6.222 1.00 0.00 H new ATOM 0 HA LEU A 27 5.840 1.532 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.885 0.288 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.395 -1.011 7.544 1.00 0.00 H new ATOM 0 HG LEU A 27 7.153 -0.208 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.954 -0.115 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.752 -1.369 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.741 0.174 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.294 1.927 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.058 2.305 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.603 2.177 9.121 1.00 0.00 H new ATOM 411 N LYS A 28 5.779 -0.618 4.756 1.00 0.00 N ATOM 412 CA LYS A 28 5.609 -1.533 3.632 1.00 0.00 C ATOM 413 C LYS A 28 4.633 -2.662 3.962 1.00 0.00 C ATOM 414 O LYS A 28 3.616 -2.826 3.290 1.00 0.00 O ATOM 415 CB LYS A 28 6.959 -2.121 3.221 1.00 0.00 C ATOM 416 CG LYS A 28 7.037 -2.497 1.751 1.00 0.00 C ATOM 417 CD LYS A 28 8.187 -3.455 1.481 1.00 0.00 C ATOM 418 CE LYS A 28 7.896 -4.352 0.289 1.00 0.00 C ATOM 419 NZ LYS A 28 9.027 -5.276 0.001 1.00 0.00 N ATOM 0 H LYS A 28 6.751 -0.423 4.997 1.00 0.00 H new ATOM 0 HA LYS A 28 5.192 -0.960 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.744 -1.398 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.159 -3.006 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.099 -2.957 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.164 -1.596 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.099 -2.887 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.366 -4.068 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.994 -4.932 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.697 -3.737 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.479 -5.003 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.724 -5.222 0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.669 -6.250 -0.074 1.00 0.00 H new ATOM 433 N ASN A 29 4.937 -3.433 5.005 1.00 0.00 N ATOM 434 CA ASN A 29 4.072 -4.541 5.409 1.00 0.00 C ATOM 435 C ASN A 29 2.651 -4.048 5.619 1.00 0.00 C ATOM 436 O ASN A 29 1.683 -4.646 5.137 1.00 0.00 O ATOM 437 CB ASN A 29 4.598 -5.188 6.691 1.00 0.00 C ATOM 438 CG ASN A 29 4.915 -4.168 7.766 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.905 -3.795 8.544 1.00 0.00 O flip ATOM 440 ND2 ASN A 29 6.054 -3.720 7.897 1.00 0.00 N flip ATOM 0 H ASN A 29 5.769 -3.313 5.582 1.00 0.00 H new ATOM 0 HA ASN A 29 4.072 -5.288 4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.857 -5.892 7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.496 -5.762 6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.800 -4.035 7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.252 -3.034 8.626 1.00 0.00 H new ATOM 447 N GLU A 30 2.539 -2.935 6.324 1.00 0.00 N ATOM 448 CA GLU A 30 1.258 -2.325 6.592 1.00 0.00 C ATOM 449 C GLU A 30 0.675 -1.752 5.301 1.00 0.00 C ATOM 450 O GLU A 30 -0.544 -1.678 5.137 1.00 0.00 O ATOM 451 CB GLU A 30 1.426 -1.279 7.697 1.00 0.00 C ATOM 452 CG GLU A 30 1.367 0.158 7.233 1.00 0.00 C ATOM 453 CD GLU A 30 -0.028 0.739 7.331 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.914 0.283 6.579 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.240 1.646 8.163 1.00 0.00 O ATOM 0 H GLU A 30 3.333 -2.434 6.723 1.00 0.00 H new ATOM 0 HA GLU A 30 0.542 -3.065 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.649 -1.435 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.383 -1.446 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.051 0.759 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.711 0.218 6.200 1.00 0.00 H new ATOM 462 N TRP A 31 1.556 -1.370 4.376 1.00 0.00 N ATOM 463 CA TRP A 31 1.130 -0.832 3.095 1.00 0.00 C ATOM 464 C TRP A 31 0.476 -1.937 2.284 1.00 0.00 C ATOM 465 O TRP A 31 -0.508 -1.714 1.582 1.00 0.00 O ATOM 466 CB TRP A 31 2.322 -0.228 2.343 1.00 0.00 C ATOM 467 CG TRP A 31 2.810 1.046 2.960 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.174 1.770 3.925 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.033 1.745 2.676 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.914 2.872 4.254 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.059 2.879 3.508 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.110 1.530 1.804 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.109 3.789 3.498 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.153 2.436 1.798 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.147 3.552 2.640 1.00 0.00 C ATOM 0 H TRP A 31 2.568 -1.425 4.495 1.00 0.00 H new ATOM 0 HA TRP A 31 0.405 -0.034 3.257 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.137 -0.952 2.321 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.036 -0.039 1.308 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.223 1.510 4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.653 3.576 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.124 0.672 1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.105 4.653 4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.988 2.279 1.131 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.979 4.241 2.612 1.00 0.00 H new ATOM 486 N VAL A 32 1.016 -3.141 2.419 1.00 0.00 N ATOM 487 CA VAL A 32 0.476 -4.300 1.732 1.00 0.00 C ATOM 488 C VAL A 32 -0.904 -4.631 2.275 1.00 0.00 C ATOM 489 O VAL A 32 -1.844 -4.857 1.519 1.00 0.00 O ATOM 490 CB VAL A 32 1.378 -5.532 1.910 1.00 0.00 C ATOM 491 CG1 VAL A 32 0.841 -6.714 1.113 1.00 0.00 C ATOM 492 CG2 VAL A 32 2.811 -5.205 1.518 1.00 0.00 C ATOM 0 H VAL A 32 1.830 -3.338 3.001 1.00 0.00 H new ATOM 0 HA VAL A 32 0.419 -4.053 0.672 1.00 0.00 H new ATOM 0 HB VAL A 32 1.375 -5.814 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.495 -7.575 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.163 -6.960 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.806 -6.454 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.435 -6.089 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.840 -4.893 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.186 -4.399 2.148 1.00 0.00 H new ATOM 502 N GLN A 33 -1.014 -4.664 3.596 1.00 0.00 N ATOM 503 CA GLN A 33 -2.279 -4.976 4.244 1.00 0.00 C ATOM 504 C GLN A 33 -3.350 -3.940 3.905 1.00 0.00 C ATOM 505 O GLN A 33 -4.491 -4.295 3.607 1.00 0.00 O ATOM 506 CB GLN A 33 -2.083 -5.065 5.755 1.00 0.00 C ATOM 507 CG GLN A 33 -1.159 -6.197 6.171 1.00 0.00 C ATOM 508 CD GLN A 33 -1.540 -7.526 5.544 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.263 -8.322 6.142 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.053 -7.771 4.331 1.00 0.00 N ATOM 0 H GLN A 33 -0.244 -4.479 4.238 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.622 -5.941 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.678 -4.121 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.053 -5.201 6.234 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.136 -5.947 5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.176 -6.294 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.457 -7.082 3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.275 -8.648 3.860 1.00 0.00 H new ATOM 519 N ARG A 34 -2.983 -2.661 3.951 1.00 0.00 N ATOM 520 CA ARG A 34 -3.930 -1.592 3.645 1.00 0.00 C ATOM 521 C ARG A 34 -4.303 -1.600 2.162 1.00 0.00 C ATOM 522 O ARG A 34 -5.462 -1.381 1.808 1.00 0.00 O ATOM 523 CB ARG A 34 -3.368 -0.227 4.056 1.00 0.00 C ATOM 524 CG ARG A 34 -2.236 0.265 3.182 1.00 0.00 C ATOM 525 CD ARG A 34 -1.932 1.726 3.462 1.00 0.00 C ATOM 526 NE ARG A 34 -1.823 2.005 4.890 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.406 3.038 5.500 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.129 3.911 4.809 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.256 3.204 6.807 1.00 0.00 N ATOM 0 H ARG A 34 -2.045 -2.342 4.195 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.836 -1.773 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.174 0.507 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.018 -0.286 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.345 -0.337 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.500 0.139 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.000 2.002 2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.717 2.347 3.032 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.265 1.369 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.243 3.795 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.571 4.698 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.696 2.542 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.701 3.993 7.275 1.00 0.00 H new ATOM 543 N LEU A 35 -3.325 -1.868 1.297 1.00 0.00 N ATOM 544 CA LEU A 35 -3.578 -1.918 -0.141 1.00 0.00 C ATOM 545 C LEU A 35 -4.443 -3.123 -0.478 1.00 0.00 C ATOM 546 O LEU A 35 -5.480 -2.997 -1.130 1.00 0.00 O ATOM 547 CB LEU A 35 -2.267 -2.015 -0.921 1.00 0.00 C ATOM 548 CG LEU A 35 -1.377 -0.776 -0.888 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.005 -1.117 -1.434 1.00 0.00 C ATOM 550 CD2 LEU A 35 -1.994 0.353 -1.694 1.00 0.00 C ATOM 0 H LEU A 35 -2.358 -2.052 1.565 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.094 -1.000 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.697 -2.858 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.502 -2.242 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.281 -0.444 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.627 -0.230 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.445 -1.901 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.099 -1.466 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.342 1.226 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.116 0.036 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.967 0.609 -1.276 1.00 0.00 H new ATOM 562 N ILE A 36 -4.013 -4.292 -0.012 1.00 0.00 N ATOM 563 CA ILE A 36 -4.745 -5.527 -0.246 1.00 0.00 C ATOM 564 C ILE A 36 -6.187 -5.373 0.225 1.00 0.00 C ATOM 565 O ILE A 36 -7.119 -5.854 -0.419 1.00 0.00 O ATOM 566 CB ILE A 36 -4.083 -6.720 0.481 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.685 -6.993 -0.085 1.00 0.00 C ATOM 568 CG2 ILE A 36 -4.949 -7.968 0.367 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.863 -7.928 0.776 1.00 0.00 C ATOM 0 H ILE A 36 -3.158 -4.407 0.532 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.729 -5.730 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.985 -6.460 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.782 -7.420 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.153 -6.048 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.465 -8.796 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.923 -7.778 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.080 -8.225 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.885 -8.079 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.736 -7.493 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.375 -8.887 0.863 1.00 0.00 H new ATOM 581 N LYS A 37 -6.358 -4.675 1.343 1.00 0.00 N ATOM 582 CA LYS A 37 -7.680 -4.429 1.892 1.00 0.00 C ATOM 583 C LYS A 37 -8.415 -3.422 1.022 1.00 0.00 C ATOM 584 O LYS A 37 -9.637 -3.474 0.887 1.00 0.00 O ATOM 585 CB LYS A 37 -7.577 -3.909 3.327 1.00 0.00 C ATOM 586 CG LYS A 37 -8.904 -3.900 4.068 1.00 0.00 C ATOM 587 CD LYS A 37 -9.039 -2.673 4.957 1.00 0.00 C ATOM 588 CE LYS A 37 -8.725 -2.998 6.410 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.569 -2.209 6.917 1.00 0.00 N ATOM 0 H LYS A 37 -5.594 -4.271 1.885 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.236 -5.366 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.867 -4.526 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.173 -2.897 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.723 -3.921 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.989 -4.801 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.366 -1.892 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.052 -2.278 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.601 -2.795 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.508 -4.062 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.387 -2.459 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.726 -2.422 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.785 -1.194 6.850 1.00 0.00 H new ATOM 603 N ASP A 38 -7.654 -2.510 0.423 1.00 0.00 N ATOM 604 CA ASP A 38 -8.225 -1.496 -0.445 1.00 0.00 C ATOM 605 C ASP A 38 -8.834 -2.141 -1.683 1.00 0.00 C ATOM 606 O ASP A 38 -9.936 -1.790 -2.104 1.00 0.00 O ATOM 607 CB ASP A 38 -7.152 -0.489 -0.855 1.00 0.00 C ATOM 608 CG ASP A 38 -7.733 0.696 -1.602 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.081 1.699 -0.945 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.842 0.619 -2.843 1.00 0.00 O ATOM 0 H ASP A 38 -6.641 -2.456 0.526 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.011 -0.974 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.630 -0.135 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.412 -0.985 -1.483 1.00 0.00 H new ATOM 615 N ASP A 39 -8.105 -3.092 -2.258 1.00 0.00 N ATOM 616 CA ASP A 39 -8.565 -3.798 -3.447 1.00 0.00 C ATOM 617 C ASP A 39 -9.646 -4.812 -3.088 1.00 0.00 C ATOM 618 O ASP A 39 -10.507 -5.133 -3.908 1.00 0.00 O ATOM 619 CB ASP A 39 -7.392 -4.504 -4.129 1.00 0.00 C ATOM 620 CG ASP A 39 -6.600 -3.573 -5.027 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.220 -2.703 -5.673 1.00 0.00 O ATOM 622 OD2 ASP A 39 -5.360 -3.716 -5.083 1.00 0.00 O ATOM 0 H ASP A 39 -7.191 -3.392 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.990 -3.068 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.731 -4.921 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.768 -5.340 -4.718 1.00 0.00 H new ATOM 627 N GLU A 40 -9.596 -5.313 -1.857 1.00 0.00 N ATOM 628 CA GLU A 40 -10.575 -6.290 -1.391 1.00 0.00 C ATOM 629 C GLU A 40 -11.926 -5.635 -1.135 1.00 0.00 C ATOM 630 O GLU A 40 -12.958 -6.304 -1.130 1.00 0.00 O ATOM 631 CB GLU A 40 -10.078 -6.987 -0.121 1.00 0.00 C ATOM 632 CG GLU A 40 -9.949 -8.495 -0.264 1.00 0.00 C ATOM 633 CD GLU A 40 -10.777 -9.252 0.756 1.00 0.00 C ATOM 634 OE1 GLU A 40 -10.182 -9.950 1.605 1.00 0.00 O ATOM 635 OE2 GLU A 40 -12.020 -9.147 0.708 1.00 0.00 O ATOM 0 H GLU A 40 -8.890 -5.059 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.700 -7.036 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.108 -6.573 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.764 -6.765 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.258 -8.789 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.902 -8.778 -0.158 1.00 0.00 H new