USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=6 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 Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -2.22! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.315 USER MOD Single : A 11 GLN : amide:sc= -0.0487 K(o=-0.049,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 51:sc= 0.743 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.0069) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00026 X(o=-0.00026,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.417 8.819 4.078 1.00 0.00 N ATOM 25 CA ASP A 3 -0.221 8.577 4.880 1.00 0.00 C ATOM 26 C ASP A 3 0.690 7.540 4.226 1.00 0.00 C ATOM 27 O ASP A 3 1.905 7.558 4.422 1.00 0.00 O ATOM 28 CB ASP A 3 -0.611 8.115 6.285 1.00 0.00 C ATOM 29 CG ASP A 3 0.202 8.800 7.366 1.00 0.00 C ATOM 30 OD1 ASP A 3 1.273 8.270 7.729 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.231 9.868 7.848 1.00 0.00 O ATOM 0 HA ASP A 3 0.329 9.516 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.670 8.315 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.475 7.036 6.361 1.00 0.00 H new ATOM 36 N TYR A 4 0.097 6.636 3.451 1.00 0.00 N ATOM 37 CA TYR A 4 0.859 5.591 2.773 1.00 0.00 C ATOM 38 C TYR A 4 1.976 6.187 1.921 1.00 0.00 C ATOM 39 O TYR A 4 3.122 5.746 1.987 1.00 0.00 O ATOM 40 CB TYR A 4 -0.065 4.745 1.897 1.00 0.00 C ATOM 41 CG TYR A 4 -1.229 4.145 2.651 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.535 4.361 2.234 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.021 3.366 3.782 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.603 3.816 2.922 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.082 2.816 4.475 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.371 3.045 4.041 1.00 0.00 C ATOM 47 OH TYR A 4 -4.432 2.501 4.730 1.00 0.00 O ATOM 0 H TYR A 4 -0.908 6.606 3.277 1.00 0.00 H new ATOM 0 HA TYR A 4 1.311 4.958 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.448 5.363 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.515 3.942 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.720 4.965 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.013 3.187 4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.614 3.993 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.903 2.210 5.351 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.097 1.985 5.492 1.00 0.00 H new ATOM 57 N SER A 5 1.632 7.191 1.122 1.00 0.00 N ATOM 58 CA SER A 5 2.604 7.848 0.256 1.00 0.00 C ATOM 59 C SER A 5 3.762 8.423 1.067 1.00 0.00 C ATOM 60 O SER A 5 4.860 8.618 0.545 1.00 0.00 O ATOM 61 CB SER A 5 1.930 8.958 -0.551 1.00 0.00 C ATOM 62 OG SER A 5 1.450 8.470 -1.791 1.00 0.00 O ATOM 0 H SER A 5 0.686 7.568 1.056 1.00 0.00 H new ATOM 0 HA SER A 5 3.004 7.100 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.103 9.378 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.640 9.767 -0.725 1.00 0.00 H new ATOM 0 HG SER A 5 1.022 9.200 -2.286 1.00 0.00 H new ATOM 68 N SER A 6 3.510 8.698 2.343 1.00 0.00 N ATOM 69 CA SER A 6 4.533 9.255 3.222 1.00 0.00 C ATOM 70 C SER A 6 5.443 8.161 3.778 1.00 0.00 C ATOM 71 O SER A 6 6.564 8.436 4.207 1.00 0.00 O ATOM 72 CB SER A 6 3.881 10.023 4.372 1.00 0.00 C ATOM 73 OG SER A 6 3.511 11.330 3.968 1.00 0.00 O ATOM 0 H SER A 6 2.607 8.544 2.791 1.00 0.00 H new ATOM 0 HA SER A 6 5.144 9.939 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.000 9.484 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.572 10.081 5.213 1.00 0.00 H new ATOM 0 HG SER A 6 3.095 11.800 4.721 1.00 0.00 H new ATOM 79 N LEU A 7 4.959 6.923 3.771 1.00 0.00 N ATOM 80 CA LEU A 7 5.738 5.799 4.278 1.00 0.00 C ATOM 81 C LEU A 7 6.761 5.334 3.247 1.00 0.00 C ATOM 82 O LEU A 7 6.598 5.566 2.049 1.00 0.00 O ATOM 83 CB LEU A 7 4.821 4.633 4.658 1.00 0.00 C ATOM 84 CG LEU A 7 3.472 5.035 5.257 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.673 3.802 5.650 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.674 5.948 6.457 1.00 0.00 C ATOM 0 H LEU A 7 4.034 6.673 3.421 1.00 0.00 H new ATOM 0 HA LEU A 7 6.268 6.138 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.640 4.029 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.344 3.999 5.374 1.00 0.00 H new ATOM 0 HG LEU A 7 2.908 5.581 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.717 4.108 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.498 3.185 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.231 3.228 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.704 6.225 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.258 5.427 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.205 6.847 6.145 1.00 0.00 H new ATOM 98 N THR A 8 7.811 4.675 3.721 1.00 0.00 N ATOM 99 CA THR A 8 8.861 4.173 2.845 1.00 0.00 C ATOM 100 C THR A 8 8.384 2.942 2.085 1.00 0.00 C ATOM 101 O THR A 8 7.323 2.392 2.380 1.00 0.00 O ATOM 102 CB THR A 8 10.110 3.821 3.655 1.00 0.00 C ATOM 103 OG1 THR A 8 9.944 2.575 4.310 1.00 0.00 O ATOM 104 CG2 THR A 8 10.453 4.854 4.708 1.00 0.00 C ATOM 0 H THR A 8 7.958 4.476 4.710 1.00 0.00 H new ATOM 0 HA THR A 8 9.107 4.958 2.130 1.00 0.00 H new ATOM 0 HB THR A 8 10.925 3.783 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.753 2.364 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.349 4.542 5.245 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.634 5.816 4.229 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.624 4.948 5.409 1.00 0.00 H new ATOM 112 N VAL A 9 9.178 2.504 1.113 1.00 0.00 N ATOM 113 CA VAL A 9 8.834 1.329 0.326 1.00 0.00 C ATOM 114 C VAL A 9 8.724 0.103 1.224 1.00 0.00 C ATOM 115 O VAL A 9 7.803 -0.700 1.087 1.00 0.00 O ATOM 116 CB VAL A 9 9.875 1.060 -0.777 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.437 -0.101 -1.658 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.104 2.312 -1.611 1.00 0.00 C ATOM 0 H VAL A 9 10.061 2.944 0.853 1.00 0.00 H new ATOM 0 HA VAL A 9 7.872 1.526 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 9 10.817 0.788 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.186 -0.274 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.329 -0.999 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.482 0.137 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.842 2.103 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.166 2.616 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.468 3.115 -0.970 1.00 0.00 H new ATOM 128 N VAL A 10 9.665 -0.023 2.153 1.00 0.00 N ATOM 129 CA VAL A 10 9.668 -1.141 3.086 1.00 0.00 C ATOM 130 C VAL A 10 8.447 -1.077 3.994 1.00 0.00 C ATOM 131 O VAL A 10 7.827 -2.098 4.293 1.00 0.00 O ATOM 132 CB VAL A 10 10.943 -1.155 3.950 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.993 -2.409 4.812 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.183 -1.053 3.076 1.00 0.00 C ATOM 0 H VAL A 10 10.434 0.635 2.279 1.00 0.00 H new ATOM 0 HA VAL A 10 9.641 -2.057 2.495 1.00 0.00 H new ATOM 0 HB VAL A 10 10.919 -0.288 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.901 -2.400 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.122 -2.435 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.991 -3.291 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.073 -1.064 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.214 -1.898 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.152 -0.123 2.508 1.00 0.00 H new ATOM 144 N GLN A 11 8.099 0.134 4.421 1.00 0.00 N ATOM 145 CA GLN A 11 6.943 0.333 5.283 1.00 0.00 C ATOM 146 C GLN A 11 5.663 -0.022 4.539 1.00 0.00 C ATOM 147 O GLN A 11 4.807 -0.742 5.057 1.00 0.00 O ATOM 148 CB GLN A 11 6.882 1.783 5.770 1.00 0.00 C ATOM 149 CG GLN A 11 7.656 2.025 7.056 1.00 0.00 C ATOM 150 CD GLN A 11 7.719 3.492 7.430 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.778 4.365 6.563 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.707 3.774 8.729 1.00 0.00 N ATOM 0 H GLN A 11 8.601 0.989 4.183 1.00 0.00 H new ATOM 0 HA GLN A 11 7.041 -0.322 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.275 2.436 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.840 2.062 5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.189 1.467 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.669 1.638 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.657 3.020 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.747 4.744 9.041 1.00 0.00 H new ATOM 161 N LEU A 12 5.543 0.479 3.313 1.00 0.00 N ATOM 162 CA LEU A 12 4.374 0.209 2.488 1.00 0.00 C ATOM 163 C LEU A 12 4.253 -1.285 2.208 1.00 0.00 C ATOM 164 O LEU A 12 3.158 -1.848 2.240 1.00 0.00 O ATOM 165 CB LEU A 12 4.466 0.980 1.171 1.00 0.00 C ATOM 166 CG LEU A 12 3.895 2.397 1.209 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.528 3.257 0.127 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.382 2.365 1.052 1.00 0.00 C ATOM 0 H LEU A 12 6.243 1.075 2.870 1.00 0.00 H new ATOM 0 HA LEU A 12 3.487 0.537 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.513 1.035 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.943 0.415 0.400 1.00 0.00 H new ATOM 0 HG LEU A 12 4.131 2.838 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.109 4.262 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.605 3.306 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.324 2.820 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.992 3.382 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.125 1.905 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.944 1.785 1.864 1.00 0.00 H new ATOM 180 N LYS A 13 5.388 -1.922 1.938 1.00 0.00 N ATOM 181 CA LYS A 13 5.414 -3.352 1.654 1.00 0.00 C ATOM 182 C LYS A 13 4.986 -4.153 2.879 1.00 0.00 C ATOM 183 O LYS A 13 4.337 -5.191 2.759 1.00 0.00 O ATOM 184 CB LYS A 13 6.815 -3.778 1.209 1.00 0.00 C ATOM 185 CG LYS A 13 6.851 -4.384 -0.185 1.00 0.00 C ATOM 186 CD LYS A 13 8.138 -4.031 -0.913 1.00 0.00 C ATOM 187 CE LYS A 13 7.886 -3.749 -2.386 1.00 0.00 C ATOM 188 NZ LYS A 13 9.125 -3.896 -3.199 1.00 0.00 N ATOM 0 H LYS A 13 6.302 -1.470 1.910 1.00 0.00 H new ATOM 0 HA LYS A 13 4.710 -3.554 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.476 -2.911 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.209 -4.502 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.757 -5.468 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.997 -4.027 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.593 -3.157 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.849 -4.851 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.123 -4.431 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.494 -2.738 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.911 -3.696 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.845 -3.228 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.485 -4.868 -3.111 1.00 0.00 H new ATOM 202 N ASP A 14 5.350 -3.660 4.059 1.00 0.00 N ATOM 203 CA ASP A 14 4.999 -4.328 5.305 1.00 0.00 C ATOM 204 C ASP A 14 3.490 -4.300 5.517 1.00 0.00 C ATOM 205 O ASP A 14 2.875 -5.319 5.831 1.00 0.00 O ATOM 206 CB ASP A 14 5.705 -3.660 6.486 1.00 0.00 C ATOM 207 CG ASP A 14 5.828 -4.582 7.684 1.00 0.00 C ATOM 208 OD1 ASP A 14 6.448 -5.658 7.543 1.00 0.00 O ATOM 209 OD2 ASP A 14 5.305 -4.229 8.761 1.00 0.00 O ATOM 0 H ASP A 14 5.887 -2.801 4.177 1.00 0.00 H new ATOM 0 HA ASP A 14 5.326 -5.366 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.699 -3.337 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.155 -2.765 6.775 1.00 0.00 H new ATOM 214 N LEU A 15 2.898 -3.124 5.334 1.00 0.00 N ATOM 215 CA LEU A 15 1.460 -2.961 5.494 1.00 0.00 C ATOM 216 C LEU A 15 0.708 -3.835 4.500 1.00 0.00 C ATOM 217 O LEU A 15 -0.322 -4.425 4.827 1.00 0.00 O ATOM 218 CB LEU A 15 1.067 -1.494 5.306 1.00 0.00 C ATOM 219 CG LEU A 15 1.090 -0.649 6.581 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.807 0.810 6.258 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.082 -1.181 7.587 1.00 0.00 C ATOM 0 H LEU A 15 3.393 -2.271 5.075 1.00 0.00 H new ATOM 0 HA LEU A 15 1.190 -3.272 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.741 -1.044 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.065 -1.454 4.880 1.00 0.00 H new ATOM 0 HG LEU A 15 2.084 -0.715 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.827 1.397 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.566 1.185 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.176 0.896 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.110 -0.569 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.918 -1.144 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.330 -2.212 7.840 1.00 0.00 H new ATOM 233 N LEU A 16 1.235 -3.918 3.284 1.00 0.00 N ATOM 234 CA LEU A 16 0.619 -4.726 2.240 1.00 0.00 C ATOM 235 C LEU A 16 0.623 -6.199 2.632 1.00 0.00 C ATOM 236 O LEU A 16 -0.383 -6.892 2.489 1.00 0.00 O ATOM 237 CB LEU A 16 1.356 -4.533 0.913 1.00 0.00 C ATOM 238 CG LEU A 16 0.824 -3.393 0.038 1.00 0.00 C ATOM 239 CD1 LEU A 16 1.913 -2.360 -0.218 1.00 0.00 C ATOM 240 CD2 LEU A 16 0.281 -3.934 -1.276 1.00 0.00 C ATOM 0 H LEU A 16 2.087 -3.436 2.997 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.414 -4.401 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.410 -4.349 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.302 -5.462 0.346 1.00 0.00 H new ATOM 0 HG LEU A 16 0.008 -2.906 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.515 -1.559 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.253 -1.947 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.752 -2.834 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.092 -3.109 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.077 -4.449 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.532 -4.632 -1.074 1.00 0.00 H new ATOM 252 N THR A 17 1.758 -6.669 3.139 1.00 0.00 N ATOM 253 CA THR A 17 1.879 -8.059 3.561 1.00 0.00 C ATOM 254 C THR A 17 0.848 -8.375 4.637 1.00 0.00 C ATOM 255 O THR A 17 0.185 -9.411 4.595 1.00 0.00 O ATOM 256 CB THR A 17 3.290 -8.340 4.082 1.00 0.00 C ATOM 257 OG1 THR A 17 3.915 -7.143 4.507 1.00 0.00 O ATOM 258 CG2 THR A 17 4.190 -8.986 3.051 1.00 0.00 C ATOM 0 H THR A 17 2.602 -6.111 3.267 1.00 0.00 H new ATOM 0 HA THR A 17 1.694 -8.700 2.699 1.00 0.00 H new ATOM 0 HB THR A 17 3.159 -9.033 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.318 -6.661 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.175 -9.158 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.760 -9.937 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.284 -8.328 2.187 1.00 0.00 H new ATOM 266 N LYS A 18 0.713 -7.464 5.591 1.00 0.00 N ATOM 267 CA LYS A 18 -0.246 -7.629 6.677 1.00 0.00 C ATOM 268 C LYS A 18 -1.675 -7.531 6.152 1.00 0.00 C ATOM 269 O LYS A 18 -2.597 -8.119 6.719 1.00 0.00 O ATOM 270 CB LYS A 18 -0.010 -6.572 7.759 1.00 0.00 C ATOM 271 CG LYS A 18 -0.080 -7.125 9.174 1.00 0.00 C ATOM 272 CD LYS A 18 -0.767 -6.153 10.122 1.00 0.00 C ATOM 273 CE LYS A 18 0.092 -5.862 11.343 1.00 0.00 C ATOM 274 NZ LYS A 18 -0.600 -4.963 12.307 1.00 0.00 N ATOM 0 H LYS A 18 1.256 -6.602 5.636 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.104 -8.618 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.968 -6.117 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.751 -5.780 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.620 -8.072 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.927 -7.334 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.982 -5.222 9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.724 -6.568 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.347 -6.799 11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.029 -5.403 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.018 -4.789 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.821 -4.060 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.481 -5.412 12.629 1.00 0.00 H new ATOM 288 N ARG A 19 -1.854 -6.781 5.066 1.00 0.00 N ATOM 289 CA ARG A 19 -3.171 -6.601 4.466 1.00 0.00 C ATOM 290 C ARG A 19 -3.433 -7.633 3.366 1.00 0.00 C ATOM 291 O ARG A 19 -4.527 -7.685 2.805 1.00 0.00 O ATOM 292 CB ARG A 19 -3.297 -5.187 3.895 1.00 0.00 C ATOM 293 CG ARG A 19 -4.162 -4.264 4.738 1.00 0.00 C ATOM 294 CD ARG A 19 -4.348 -2.911 4.071 1.00 0.00 C ATOM 295 NE ARG A 19 -4.298 -1.814 5.034 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.314 -1.472 5.822 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.461 -2.138 5.765 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.184 -0.462 6.672 1.00 0.00 N ATOM 0 H ARG A 19 -1.102 -6.289 4.585 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.917 -6.746 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.302 -4.752 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.716 -5.246 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.135 -4.726 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.703 -4.128 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.572 -2.768 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.305 -2.892 3.550 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.433 -1.278 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.567 -2.917 5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.236 -1.871 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.305 0.053 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.963 -0.200 7.276 1.00 0.00 H new ATOM 312 N ASN A 20 -2.427 -8.449 3.061 1.00 0.00 N ATOM 313 CA ASN A 20 -2.556 -9.472 2.028 1.00 0.00 C ATOM 314 C ASN A 20 -2.811 -8.841 0.663 1.00 0.00 C ATOM 315 O ASN A 20 -3.663 -9.301 -0.097 1.00 0.00 O ATOM 316 CB ASN A 20 -3.687 -10.443 2.378 1.00 0.00 C ATOM 317 CG ASN A 20 -3.227 -11.558 3.296 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.758 -11.734 4.393 1.00 0.00 O ATOM 319 ND2 ASN A 20 -2.234 -12.319 2.850 1.00 0.00 N ATOM 0 H ASN A 20 -1.514 -8.421 3.515 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.617 -10.024 1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.499 -9.894 2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.090 -10.874 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.882 -13.086 3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.824 -12.137 1.934 1.00 0.00 H new ATOM 326 N LEU A 21 -2.065 -7.783 0.358 1.00 0.00 N ATOM 327 CA LEU A 21 -2.208 -7.088 -0.916 1.00 0.00 C ATOM 328 C LEU A 21 -1.009 -7.356 -1.819 1.00 0.00 C ATOM 329 O LEU A 21 0.015 -7.874 -1.371 1.00 0.00 O ATOM 330 CB LEU A 21 -2.361 -5.583 -0.685 1.00 0.00 C ATOM 331 CG LEU A 21 -3.681 -5.158 -0.039 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.631 -3.692 0.360 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.844 -5.417 -0.985 1.00 0.00 C ATOM 0 H LEU A 21 -1.356 -7.389 0.976 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.103 -7.466 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.539 -5.242 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.262 -5.072 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.832 -5.753 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.578 -3.407 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.822 -3.537 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.457 -3.080 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.775 -5.109 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.700 -4.848 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.891 -6.480 -1.221 1.00 0.00 H new ATOM 345 N SER A 22 -1.142 -7.003 -3.094 1.00 0.00 N ATOM 346 CA SER A 22 -0.069 -7.207 -4.060 1.00 0.00 C ATOM 347 C SER A 22 1.023 -6.156 -3.892 1.00 0.00 C ATOM 348 O SER A 22 0.765 -4.957 -3.989 1.00 0.00 O ATOM 349 CB SER A 22 -0.622 -7.160 -5.486 1.00 0.00 C ATOM 350 OG SER A 22 0.024 -8.108 -6.316 1.00 0.00 O ATOM 0 H SER A 22 -1.982 -6.574 -3.482 1.00 0.00 H new ATOM 0 HA SER A 22 0.367 -8.190 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.694 -7.357 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.488 -6.160 -5.898 1.00 0.00 H new ATOM 0 HG SER A 22 -0.349 -8.059 -7.221 1.00 0.00 H new ATOM 356 N VAL A 23 2.245 -6.614 -3.642 1.00 0.00 N ATOM 357 CA VAL A 23 3.377 -5.713 -3.460 1.00 0.00 C ATOM 358 C VAL A 23 4.302 -5.730 -4.675 1.00 0.00 C ATOM 359 O VAL A 23 5.463 -5.327 -4.587 1.00 0.00 O ATOM 360 CB VAL A 23 4.193 -6.080 -2.207 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.400 -5.775 -0.945 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.604 -7.544 -2.246 1.00 0.00 C ATOM 0 H VAL A 23 2.477 -7.604 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 23 2.962 -4.712 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 23 5.098 -5.473 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.993 -6.041 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.162 -4.712 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.476 -6.354 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.180 -7.784 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.713 -8.171 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.214 -7.727 -3.131 1.00 0.00 H new ATOM 372 N GLY A 24 3.785 -6.197 -5.808 1.00 0.00 N ATOM 373 CA GLY A 24 4.584 -6.255 -7.019 1.00 0.00 C ATOM 374 C GLY A 24 4.644 -4.923 -7.740 1.00 0.00 C ATOM 375 O GLY A 24 5.611 -4.634 -8.446 1.00 0.00 O ATOM 0 H GLY A 24 2.828 -6.536 -5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.595 -6.574 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.169 -7.008 -7.688 1.00 0.00 H new ATOM 379 N GLY A 25 3.609 -4.108 -7.563 1.00 0.00 N ATOM 380 CA GLY A 25 3.568 -2.810 -8.211 1.00 0.00 C ATOM 381 C GLY A 25 4.562 -1.832 -7.614 1.00 0.00 C ATOM 382 O GLY A 25 5.121 -2.078 -6.546 1.00 0.00 O ATOM 0 H GLY A 25 2.798 -4.323 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.776 -2.931 -9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.562 -2.397 -8.128 1.00 0.00 H new ATOM 386 N LEU A 26 4.781 -0.718 -8.307 1.00 0.00 N ATOM 387 CA LEU A 26 5.713 0.302 -7.841 1.00 0.00 C ATOM 388 C LEU A 26 5.185 0.986 -6.584 1.00 0.00 C ATOM 389 O LEU A 26 4.042 0.768 -6.181 1.00 0.00 O ATOM 390 CB LEU A 26 5.951 1.341 -8.937 1.00 0.00 C ATOM 391 CG LEU A 26 6.751 0.843 -10.141 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.245 1.485 -11.423 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.233 1.128 -9.950 1.00 0.00 C ATOM 0 H LEU A 26 4.325 -0.499 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 26 6.657 -0.186 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.985 1.704 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.473 2.193 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 26 6.615 -0.235 -10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.827 1.118 -12.268 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.195 1.230 -11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.350 2.568 -11.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.788 0.767 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.386 2.202 -9.843 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.589 0.620 -9.054 1.00 0.00 H new ATOM 405 N LYS A 27 6.023 1.817 -5.969 1.00 0.00 N ATOM 406 CA LYS A 27 5.640 2.535 -4.756 1.00 0.00 C ATOM 407 C LYS A 27 4.284 3.215 -4.927 1.00 0.00 C ATOM 408 O LYS A 27 3.431 3.150 -4.042 1.00 0.00 O ATOM 409 CB LYS A 27 6.702 3.576 -4.398 1.00 0.00 C ATOM 410 CG LYS A 27 6.908 3.742 -2.901 1.00 0.00 C ATOM 411 CD LYS A 27 7.868 4.880 -2.593 1.00 0.00 C ATOM 412 CE LYS A 27 7.747 5.335 -1.147 1.00 0.00 C ATOM 413 NZ LYS A 27 8.505 6.590 -0.894 1.00 0.00 N ATOM 0 H LYS A 27 6.972 2.010 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 27 5.562 1.810 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.648 3.291 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.416 4.537 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.949 3.934 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.296 2.814 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.891 4.558 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.664 5.719 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.696 5.490 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.115 4.549 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.397 6.866 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.512 6.435 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.137 7.347 -1.505 1.00 0.00 H new ATOM 427 N ASN A 28 4.090 3.861 -6.072 1.00 0.00 N ATOM 428 CA ASN A 28 2.836 4.546 -6.358 1.00 0.00 C ATOM 429 C ASN A 28 1.684 3.551 -6.421 1.00 0.00 C ATOM 430 O ASN A 28 0.563 3.853 -6.008 1.00 0.00 O ATOM 431 CB ASN A 28 2.938 5.313 -7.678 1.00 0.00 C ATOM 432 CG ASN A 28 1.925 6.438 -7.772 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.237 7.594 -7.487 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.705 6.104 -8.173 1.00 0.00 N ATOM 0 H ASN A 28 4.785 3.924 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 28 2.641 5.254 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.943 5.723 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.789 4.623 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.018 6.819 -8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.490 5.133 -8.399 1.00 0.00 H new ATOM 441 N GLU A 29 1.970 2.356 -6.932 1.00 0.00 N ATOM 442 CA GLU A 29 0.961 1.311 -7.040 1.00 0.00 C ATOM 443 C GLU A 29 0.598 0.787 -5.658 1.00 0.00 C ATOM 444 O GLU A 29 -0.556 0.457 -5.388 1.00 0.00 O ATOM 445 CB GLU A 29 1.471 0.168 -7.921 1.00 0.00 C ATOM 446 CG GLU A 29 1.053 0.291 -9.376 1.00 0.00 C ATOM 447 CD GLU A 29 -0.376 -0.156 -9.613 1.00 0.00 C ATOM 448 OE1 GLU A 29 -0.704 -1.308 -9.257 1.00 0.00 O ATOM 449 OE2 GLU A 29 -1.167 0.645 -10.152 1.00 0.00 O ATOM 0 H GLU A 29 2.892 2.089 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 29 0.069 1.734 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.559 0.135 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.103 -0.778 -7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.163 1.327 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.724 -0.306 -9.994 1.00 0.00 H new ATOM 456 N LEU A 30 1.598 0.722 -4.786 1.00 0.00 N ATOM 457 CA LEU A 30 1.398 0.248 -3.425 1.00 0.00 C ATOM 458 C LEU A 30 0.466 1.182 -2.664 1.00 0.00 C ATOM 459 O LEU A 30 -0.482 0.739 -2.015 1.00 0.00 O ATOM 460 CB LEU A 30 2.741 0.145 -2.702 1.00 0.00 C ATOM 461 CG LEU A 30 3.755 -0.799 -3.350 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.129 -0.619 -2.722 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.295 -2.242 -3.223 1.00 0.00 C ATOM 0 H LEU A 30 2.558 0.993 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 30 0.940 -0.740 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.181 1.140 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.561 -0.186 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 30 3.827 -0.553 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.837 -1.299 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.462 0.409 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.073 -0.838 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.028 -2.900 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.194 -2.500 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.332 -2.362 -3.720 1.00 0.00 H new ATOM 475 N VAL A 31 0.739 2.479 -2.755 1.00 0.00 N ATOM 476 CA VAL A 31 -0.079 3.479 -2.081 1.00 0.00 C ATOM 477 C VAL A 31 -1.504 3.460 -2.617 1.00 0.00 C ATOM 478 O VAL A 31 -2.467 3.500 -1.852 1.00 0.00 O ATOM 479 CB VAL A 31 0.506 4.895 -2.252 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.276 5.903 -1.421 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.981 4.915 -1.878 1.00 0.00 C ATOM 0 H VAL A 31 1.520 2.862 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.085 3.227 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 31 0.417 5.178 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.153 6.896 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.317 5.911 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.224 5.625 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.375 5.923 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.097 4.609 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.529 4.227 -2.522 1.00 0.00 H new ATOM 491 N GLN A 32 -1.628 3.393 -3.936 1.00 0.00 N ATOM 492 CA GLN A 32 -2.936 3.362 -4.580 1.00 0.00 C ATOM 493 C GLN A 32 -3.698 2.099 -4.193 1.00 0.00 C ATOM 494 O GLN A 32 -4.919 2.122 -4.043 1.00 0.00 O ATOM 495 CB GLN A 32 -2.781 3.438 -6.102 1.00 0.00 C ATOM 496 CG GLN A 32 -3.201 4.774 -6.691 1.00 0.00 C ATOM 497 CD GLN A 32 -3.574 4.674 -8.157 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.744 4.510 -8.502 1.00 0.00 O ATOM 499 NE2 GLN A 32 -2.577 4.770 -9.028 1.00 0.00 N ATOM 0 H GLN A 32 -0.839 3.359 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.505 4.227 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.740 3.247 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.375 2.646 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.050 5.163 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.387 5.490 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.622 4.906 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.766 4.708 -10.028 1.00 0.00 H new ATOM 508 N ARG A 33 -2.970 0.999 -4.030 1.00 0.00 N ATOM 509 CA ARG A 33 -3.586 -0.269 -3.655 1.00 0.00 C ATOM 510 C ARG A 33 -4.191 -0.172 -2.260 1.00 0.00 C ATOM 511 O ARG A 33 -5.328 -0.587 -2.034 1.00 0.00 O ATOM 512 CB ARG A 33 -2.556 -1.398 -3.704 1.00 0.00 C ATOM 513 CG ARG A 33 -3.153 -2.751 -4.057 1.00 0.00 C ATOM 514 CD ARG A 33 -2.983 -3.066 -5.534 1.00 0.00 C ATOM 515 NE ARG A 33 -1.641 -3.555 -5.838 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.223 -3.864 -7.064 1.00 0.00 C ATOM 517 NH1 ARG A 33 -2.041 -3.735 -8.103 1.00 0.00 N ATOM 518 NH2 ARG A 33 0.014 -4.302 -7.253 1.00 0.00 N ATOM 0 H ARG A 33 -1.958 0.960 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.381 -0.490 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.788 -1.147 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.062 -1.470 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.674 -3.528 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.213 -2.760 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.718 -3.814 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.184 -2.170 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.985 -3.667 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.994 -3.398 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.716 -3.973 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.646 -4.403 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.333 -4.538 -8.192 1.00 0.00 H new ATOM 532 N LEU A 34 -3.430 0.398 -1.331 1.00 0.00 N ATOM 533 CA LEU A 34 -3.900 0.571 0.036 1.00 0.00 C ATOM 534 C LEU A 34 -5.039 1.581 0.071 1.00 0.00 C ATOM 535 O LEU A 34 -5.995 1.438 0.834 1.00 0.00 O ATOM 536 CB LEU A 34 -2.756 1.035 0.940 1.00 0.00 C ATOM 537 CG LEU A 34 -1.811 -0.073 1.408 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.391 0.454 1.539 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.290 -0.656 2.730 1.00 0.00 C ATOM 0 H LEU A 34 -2.487 0.747 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.265 -0.388 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.174 1.787 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.181 1.523 1.817 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.813 -0.866 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.266 -0.349 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.049 0.824 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.370 1.266 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.607 -1.443 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.317 0.129 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.289 -1.072 2.603 1.00 0.00 H new ATOM 551 N ILE A 35 -4.926 2.601 -0.773 1.00 0.00 N ATOM 552 CA ILE A 35 -5.935 3.647 -0.865 1.00 0.00 C ATOM 553 C ILE A 35 -7.251 3.085 -1.402 1.00 0.00 C ATOM 554 O ILE A 35 -8.327 3.413 -0.905 1.00 0.00 O ATOM 555 CB ILE A 35 -5.451 4.798 -1.776 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.288 5.540 -1.114 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.584 5.764 -2.095 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.381 6.243 -2.100 1.00 0.00 C ATOM 0 H ILE A 35 -4.138 2.725 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.101 4.037 0.139 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.107 4.365 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.687 6.273 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.699 4.831 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.212 6.562 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.384 5.230 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.968 6.193 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.579 6.748 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.953 5.512 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.956 6.977 -2.665 1.00 0.00 H new ATOM 570 N LYS A 36 -7.154 2.235 -2.421 1.00 0.00 N ATOM 571 CA LYS A 36 -8.335 1.628 -3.022 1.00 0.00 C ATOM 572 C LYS A 36 -9.029 0.694 -2.036 1.00 0.00 C ATOM 573 O LYS A 36 -10.249 0.733 -1.882 1.00 0.00 O ATOM 574 CB LYS A 36 -7.951 0.860 -4.288 1.00 0.00 C ATOM 575 CG LYS A 36 -8.962 1.000 -5.414 1.00 0.00 C ATOM 576 CD LYS A 36 -8.280 1.056 -6.772 1.00 0.00 C ATOM 577 CE LYS A 36 -9.257 1.441 -7.871 1.00 0.00 C ATOM 578 NZ LYS A 36 -9.480 2.913 -7.925 1.00 0.00 N ATOM 0 H LYS A 36 -6.271 1.952 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.028 2.426 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.980 1.213 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.837 -0.196 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.655 0.159 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.552 1.904 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.463 1.777 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.839 0.085 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.876 1.096 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.208 0.935 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.152 3.135 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.867 3.239 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.577 3.394 -8.109 1.00 0.00 H new ATOM 592 N ASP A 37 -8.241 -0.143 -1.368 1.00 0.00 N ATOM 593 CA ASP A 37 -8.780 -1.086 -0.395 1.00 0.00 C ATOM 594 C ASP A 37 -9.437 -0.351 0.768 1.00 0.00 C ATOM 595 O ASP A 37 -10.486 -0.763 1.262 1.00 0.00 O ATOM 596 CB ASP A 37 -7.670 -2.001 0.126 1.00 0.00 C ATOM 597 CG ASP A 37 -8.214 -3.273 0.748 1.00 0.00 C ATOM 598 OD1 ASP A 37 -9.054 -3.937 0.104 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.801 -3.604 1.879 1.00 0.00 O ATOM 0 H ASP A 37 -7.228 -0.187 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.538 -1.691 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.000 -2.259 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.076 -1.463 0.865 1.00 0.00 H new ATOM 604 N ASP A 38 -8.812 0.740 1.201 1.00 0.00 N ATOM 605 CA ASP A 38 -9.336 1.533 2.306 1.00 0.00 C ATOM 606 C ASP A 38 -10.594 2.286 1.886 1.00 0.00 C ATOM 607 O ASP A 38 -11.559 2.375 2.644 1.00 0.00 O ATOM 608 CB ASP A 38 -8.278 2.519 2.801 1.00 0.00 C ATOM 609 CG ASP A 38 -7.455 1.960 3.946 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.845 0.884 3.768 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.422 2.597 5.019 1.00 0.00 O ATOM 0 H ASP A 38 -7.942 1.094 0.803 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.595 0.853 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.616 2.781 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.766 3.439 3.123 1.00 0.00 H new ATOM 616 N GLU A 39 -10.573 2.824 0.673 1.00 0.00 N ATOM 617 CA GLU A 39 -11.710 3.571 0.147 1.00 0.00 C ATOM 618 C GLU A 39 -12.874 2.638 -0.167 1.00 0.00 C ATOM 619 O GLU A 39 -14.036 2.987 0.038 1.00 0.00 O ATOM 620 CB GLU A 39 -11.303 4.342 -1.109 1.00 0.00 C ATOM 621 CG GLU A 39 -10.803 5.749 -0.824 1.00 0.00 C ATOM 622 CD GLU A 39 -10.414 6.496 -2.085 1.00 0.00 C ATOM 623 OE1 GLU A 39 -11.321 7.008 -2.776 1.00 0.00 O ATOM 624 OE2 GLU A 39 -9.204 6.570 -2.382 1.00 0.00 O ATOM 0 H GLU A 39 -9.781 2.757 0.034 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.033 4.280 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.523 3.787 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.158 4.399 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.579 6.307 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.943 5.697 -0.157 1.00 0.00 H new