USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot -169:sc= 1.24 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -168:sc= 0.683 (180deg=-0.552) USER MOD Set 2.1: A 55 ASN : amide:sc= 1.63 K(o=2.5,f=-11!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.0651 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 0.967 USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -2.23! USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= -1.01 (180deg=-1.31) USER MOD Single : A 14 SER OG : rot 140:sc= 0.0321 USER MOD Single : A 15 SER OG : rot -92:sc= 0.093 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 1.22 (180deg=0.493) USER MOD Single : A 18 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.46) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00621 USER MOD Single : A 28 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 2.44 (180deg=2.31) USER MOD Single : A 37 GLN : amide:sc= 1.13 K(o=1.1,f=-0.87) USER MOD Single : A 39 MET CE :methyl 179:sc= -1.48 (180deg=-1.63) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.0712 (180deg=-0.411) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0163 (180deg=-0.137) USER MOD Single : A 49 CYS SG : rot -28:sc= 1.59 USER MOD Single : A 52 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.33) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 57 GLN : amide:sc= -0.0595 K(o=-0.06,f=-5.9!) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.17) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0858 USER MOD Single : A 66 ASN : amide:sc= 0.983 K(o=0.98,f=-0.48) USER MOD Single : A 72 ASN : amide:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -1 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.129 2.988 -1.854 1.00 0.00 N ATOM 79 CA SER A 7 -13.112 2.115 -1.460 1.00 0.00 C ATOM 80 C SER A 7 -11.928 2.844 -0.937 1.00 0.00 C ATOM 81 O SER A 7 -11.279 3.609 -1.643 1.00 0.00 O ATOM 82 CB SER A 7 -12.778 1.205 -2.597 1.00 0.00 C ATOM 83 OG SER A 7 -13.926 0.422 -2.918 1.00 0.00 O ATOM 0 HA SER A 7 -13.464 1.505 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.464 1.786 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.944 0.557 -2.328 1.00 0.00 H new ATOM 0 HG SER A 7 -13.671 -0.295 -3.535 1.00 0.00 H new ATOM 89 N CYS A 8 -11.686 2.626 0.305 1.00 0.00 N ATOM 90 CA CYS A 8 -10.634 3.230 1.001 1.00 0.00 C ATOM 91 C CYS A 8 -10.010 2.212 1.935 1.00 0.00 C ATOM 92 O CYS A 8 -10.715 1.469 2.613 1.00 0.00 O ATOM 93 CB CYS A 8 -11.169 4.461 1.732 1.00 0.00 C ATOM 94 SG CYS A 8 -12.689 4.157 2.675 1.00 0.00 S ATOM 0 H CYS A 8 -12.245 1.994 0.878 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.850 3.568 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.400 4.830 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.357 5.250 1.004 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.064 5.256 3.260 1.00 0.00 H new ATOM 100 N VAL A 9 -8.713 2.141 1.916 1.00 0.00 N ATOM 101 CA VAL A 9 -7.982 1.203 2.741 1.00 0.00 C ATOM 102 C VAL A 9 -7.309 1.939 3.854 1.00 0.00 C ATOM 103 O VAL A 9 -6.634 2.953 3.617 1.00 0.00 O ATOM 104 CB VAL A 9 -6.909 0.397 1.923 1.00 0.00 C ATOM 105 CG1 VAL A 9 -5.953 -0.352 2.843 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.579 -0.610 1.029 1.00 0.00 C ATOM 0 H VAL A 9 -8.122 2.730 1.329 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.700 0.485 3.136 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.350 1.121 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.225 -0.898 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.434 0.359 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.516 -1.054 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.822 -1.160 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.159 -1.306 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.242 -0.095 0.334 1.00 0.00 H new ATOM 116 N HIS A 10 -7.538 1.470 5.053 1.00 0.00 N ATOM 117 CA HIS A 10 -6.890 1.986 6.209 1.00 0.00 C ATOM 118 C HIS A 10 -5.518 1.395 6.277 1.00 0.00 C ATOM 119 O HIS A 10 -5.350 0.211 6.561 1.00 0.00 O ATOM 120 CB HIS A 10 -7.670 1.674 7.489 1.00 0.00 C ATOM 121 CG HIS A 10 -8.929 2.473 7.668 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.029 3.586 8.484 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.167 2.288 7.144 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.284 4.028 8.437 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.024 3.274 7.634 1.00 0.00 N ATOM 0 H HIS A 10 -8.190 0.709 5.246 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.836 3.072 6.132 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.925 0.614 7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.020 1.849 8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.445 1.502 6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.651 4.886 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.014 3.391 7.419 1.00 0.00 H new ATOM 133 N TYR A 11 -4.558 2.182 5.964 1.00 0.00 N ATOM 134 CA TYR A 11 -3.207 1.740 5.960 1.00 0.00 C ATOM 135 C TYR A 11 -2.446 2.543 6.974 1.00 0.00 C ATOM 136 O TYR A 11 -2.724 3.727 7.151 1.00 0.00 O ATOM 137 CB TYR A 11 -2.576 1.908 4.553 1.00 0.00 C ATOM 138 CG TYR A 11 -2.336 3.353 4.111 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.322 4.088 3.465 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.108 3.979 4.354 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.087 5.399 3.076 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.877 5.273 3.974 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.861 5.980 3.339 1.00 0.00 C ATOM 144 OH TYR A 11 -1.617 7.274 2.965 1.00 0.00 O ATOM 0 H TYR A 11 -4.684 3.159 5.701 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.166 0.681 6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.624 1.377 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.225 1.425 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.281 3.634 3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.325 3.428 4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.858 5.962 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.079 5.734 4.175 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.706 7.524 3.227 1.00 0.00 H new ATOM 154 N LYS A 12 -1.536 1.935 7.671 1.00 0.00 N ATOM 155 CA LYS A 12 -0.723 2.703 8.559 1.00 0.00 C ATOM 156 C LYS A 12 0.723 2.509 8.233 1.00 0.00 C ATOM 157 O LYS A 12 1.220 1.384 8.152 1.00 0.00 O ATOM 158 CB LYS A 12 -1.002 2.455 10.053 1.00 0.00 C ATOM 159 CG LYS A 12 -0.581 1.117 10.607 1.00 0.00 C ATOM 160 CD LYS A 12 -0.778 1.105 12.107 1.00 0.00 C ATOM 161 CE LYS A 12 -0.319 -0.204 12.733 1.00 0.00 C ATOM 162 NZ LYS A 12 1.126 -0.467 12.558 1.00 0.00 N ATOM 0 H LYS A 12 -1.341 0.934 7.644 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.996 3.746 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.500 3.234 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.072 2.573 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.166 0.321 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.464 0.925 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.225 1.933 12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.832 1.266 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.551 -0.189 13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.885 -1.026 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.271 -1.472 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.493 0.117 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.631 -0.231 13.436 1.00 0.00 H new ATOM 176 N PHE A 13 1.376 3.593 7.992 1.00 0.00 N ATOM 177 CA PHE A 13 2.779 3.593 7.714 1.00 0.00 C ATOM 178 C PHE A 13 3.493 3.494 9.047 1.00 0.00 C ATOM 179 O PHE A 13 2.905 3.843 10.096 1.00 0.00 O ATOM 180 CB PHE A 13 3.165 4.913 7.035 1.00 0.00 C ATOM 181 CG PHE A 13 4.071 4.761 5.863 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.365 4.287 6.011 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.620 5.092 4.604 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.185 4.138 4.918 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.434 4.951 3.510 1.00 0.00 C ATOM 186 CZ PHE A 13 5.717 4.471 3.666 1.00 0.00 C ATOM 0 H PHE A 13 0.949 4.519 7.981 1.00 0.00 H new ATOM 0 HA PHE A 13 3.048 2.766 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.256 5.421 6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.647 5.558 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.732 4.032 6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.615 5.466 4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.190 3.762 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.071 5.215 2.528 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.357 4.356 2.804 1.00 0.00 H new ATOM 196 N SER A 14 4.717 3.040 9.033 1.00 0.00 N ATOM 197 CA SER A 14 5.522 2.958 10.234 1.00 0.00 C ATOM 198 C SER A 14 5.633 4.347 10.898 1.00 0.00 C ATOM 199 O SER A 14 5.539 4.476 12.114 1.00 0.00 O ATOM 200 CB SER A 14 6.895 2.459 9.846 1.00 0.00 C ATOM 201 OG SER A 14 6.774 1.350 8.977 1.00 0.00 O ATOM 0 H SER A 14 5.190 2.715 8.190 1.00 0.00 H new ATOM 0 HA SER A 14 5.060 2.276 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.457 3.255 9.358 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.454 2.175 10.738 1.00 0.00 H new ATOM 0 HG SER A 14 7.451 1.412 8.271 1.00 0.00 H new ATOM 207 N SER A 15 5.739 5.375 10.074 1.00 0.00 N ATOM 208 CA SER A 15 5.856 6.732 10.528 1.00 0.00 C ATOM 209 C SER A 15 4.482 7.403 10.739 1.00 0.00 C ATOM 210 O SER A 15 4.388 8.491 11.325 1.00 0.00 O ATOM 211 CB SER A 15 6.706 7.484 9.510 1.00 0.00 C ATOM 212 OG SER A 15 6.356 7.067 8.180 1.00 0.00 O ATOM 0 H SER A 15 5.745 5.279 9.059 1.00 0.00 H new ATOM 0 HA SER A 15 6.335 6.752 11.507 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.552 8.558 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.763 7.294 9.694 1.00 0.00 H new ATOM 0 HG SER A 15 6.937 6.327 7.905 1.00 0.00 H new ATOM 218 N LYS A 16 3.427 6.729 10.318 1.00 0.00 N ATOM 219 CA LYS A 16 2.094 7.297 10.374 1.00 0.00 C ATOM 220 C LYS A 16 1.530 7.086 11.767 1.00 0.00 C ATOM 221 O LYS A 16 0.828 7.958 12.304 1.00 0.00 O ATOM 222 CB LYS A 16 1.192 6.605 9.351 1.00 0.00 C ATOM 223 CG LYS A 16 0.076 7.464 8.766 1.00 0.00 C ATOM 224 CD LYS A 16 0.647 8.585 7.897 1.00 0.00 C ATOM 225 CE LYS A 16 -0.447 9.373 7.211 1.00 0.00 C ATOM 226 NZ LYS A 16 0.091 10.470 6.384 1.00 0.00 N ATOM 0 H LYS A 16 3.469 5.785 9.933 1.00 0.00 H new ATOM 0 HA LYS A 16 2.140 8.362 10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.814 6.242 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.743 5.730 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.593 6.842 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.520 7.892 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.246 9.255 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.315 8.160 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.036 8.703 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.122 9.784 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.557 11.283 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.024 10.753 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.186 10.148 5.400 1.00 0.00 H new ATOM 240 N LEU A 17 1.847 5.902 12.339 1.00 0.00 N ATOM 241 CA LEU A 17 1.426 5.451 13.692 1.00 0.00 C ATOM 242 C LEU A 17 -0.062 5.076 13.669 1.00 0.00 C ATOM 243 O LEU A 17 -0.460 3.982 14.077 1.00 0.00 O ATOM 244 CB LEU A 17 1.754 6.543 14.772 1.00 0.00 C ATOM 245 CG LEU A 17 1.679 6.162 16.273 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.312 7.257 17.107 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.248 5.962 16.742 1.00 0.00 C ATOM 0 H LEU A 17 2.421 5.209 11.859 1.00 0.00 H new ATOM 0 HA LEU A 17 1.990 4.561 13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.762 6.908 14.575 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.075 7.380 14.611 1.00 0.00 H new ATOM 0 HG LEU A 17 2.214 5.220 16.396 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.259 6.988 18.162 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.355 7.379 16.816 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.778 8.193 16.944 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.245 5.697 17.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.314 6.885 16.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.215 5.161 16.166 1.00 0.00 H new ATOM 259 N ASN A 18 -0.843 5.979 13.177 1.00 0.00 N ATOM 260 CA ASN A 18 -2.263 5.830 13.044 1.00 0.00 C ATOM 261 C ASN A 18 -2.551 5.467 11.613 1.00 0.00 C ATOM 262 O ASN A 18 -1.650 5.539 10.766 1.00 0.00 O ATOM 263 CB ASN A 18 -2.962 7.147 13.406 1.00 0.00 C ATOM 264 CG ASN A 18 -2.674 7.586 14.828 1.00 0.00 C ATOM 265 OD1 ASN A 18 -1.705 8.305 15.084 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.486 7.164 15.755 1.00 0.00 N ATOM 0 H ASN A 18 -0.500 6.879 12.842 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.632 5.054 13.714 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.640 7.927 12.716 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.038 7.031 13.276 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.330 7.427 16.728 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.278 6.570 15.508 1.00 0.00 H new ATOM 273 N TYR A 19 -3.764 5.090 11.318 1.00 0.00 N ATOM 274 CA TYR A 19 -4.100 4.698 9.969 1.00 0.00 C ATOM 275 C TYR A 19 -4.524 5.887 9.149 1.00 0.00 C ATOM 276 O TYR A 19 -4.978 6.908 9.685 1.00 0.00 O ATOM 277 CB TYR A 19 -5.200 3.636 9.924 1.00 0.00 C ATOM 278 CG TYR A 19 -4.833 2.289 10.507 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.918 2.047 11.873 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.428 1.249 9.686 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.607 0.808 12.396 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.111 0.012 10.201 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.207 -0.205 11.556 1.00 0.00 C ATOM 284 OH TYR A 19 -3.899 -1.443 12.073 1.00 0.00 O ATOM 0 H TYR A 19 -4.535 5.044 11.985 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.194 4.265 9.545 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.071 4.018 10.457 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.500 3.493 8.886 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.232 2.840 12.535 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.360 1.412 8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.677 0.635 13.460 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.789 -0.783 9.545 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.430 -1.602 12.881 1.00 0.00 H new ATOM 294 N ASP A 20 -4.371 5.756 7.874 1.00 0.00 N ATOM 295 CA ASP A 20 -4.770 6.745 6.905 1.00 0.00 C ATOM 296 C ASP A 20 -5.622 6.003 5.880 1.00 0.00 C ATOM 297 O ASP A 20 -5.768 4.788 6.004 1.00 0.00 O ATOM 298 CB ASP A 20 -3.540 7.385 6.260 1.00 0.00 C ATOM 299 CG ASP A 20 -3.869 8.658 5.503 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.309 8.588 4.358 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.721 9.760 6.073 1.00 0.00 O ATOM 0 H ASP A 20 -3.949 4.928 7.453 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.334 7.559 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.804 7.607 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.080 6.670 5.578 1.00 0.00 H new ATOM 306 N THR A 21 -6.152 6.667 4.885 1.00 0.00 N ATOM 307 CA THR A 21 -7.078 6.038 3.984 1.00 0.00 C ATOM 308 C THR A 21 -6.764 6.335 2.548 1.00 0.00 C ATOM 309 O THR A 21 -6.779 7.493 2.117 1.00 0.00 O ATOM 310 CB THR A 21 -8.535 6.419 4.296 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.609 7.782 4.763 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.146 5.477 5.311 1.00 0.00 C ATOM 0 H THR A 21 -5.956 7.647 4.679 1.00 0.00 H new ATOM 0 HA THR A 21 -6.964 4.965 4.139 1.00 0.00 H new ATOM 0 HB THR A 21 -9.109 6.332 3.373 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.542 8.011 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.176 5.774 5.509 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.131 4.460 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.572 5.518 6.237 1.00 0.00 H new ATOM 320 N VAL A 22 -6.466 5.306 1.810 1.00 0.00 N ATOM 321 CA VAL A 22 -6.204 5.462 0.418 1.00 0.00 C ATOM 322 C VAL A 22 -7.462 5.072 -0.376 1.00 0.00 C ATOM 323 O VAL A 22 -8.015 3.985 -0.188 1.00 0.00 O ATOM 324 CB VAL A 22 -4.941 4.660 -0.023 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.129 3.146 -0.037 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.373 5.198 -1.308 1.00 0.00 C ATOM 0 H VAL A 22 -6.399 4.348 2.155 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.975 6.506 0.206 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.196 4.822 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.203 2.667 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.390 2.802 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.929 2.885 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.494 4.618 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.123 5.125 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.090 6.242 -1.172 1.00 0.00 H new ATOM 336 N THR A 23 -7.948 5.984 -1.180 1.00 0.00 N ATOM 337 CA THR A 23 -9.163 5.774 -1.948 1.00 0.00 C ATOM 338 C THR A 23 -8.846 5.208 -3.325 1.00 0.00 C ATOM 339 O THR A 23 -7.835 5.583 -3.924 1.00 0.00 O ATOM 340 CB THR A 23 -9.919 7.106 -2.111 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.021 8.097 -2.641 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.476 7.586 -0.778 1.00 0.00 C ATOM 0 H THR A 23 -7.516 6.897 -1.325 1.00 0.00 H new ATOM 0 HA THR A 23 -9.784 5.059 -1.408 1.00 0.00 H new ATOM 0 HB THR A 23 -10.754 6.951 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.498 8.946 -2.748 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.005 8.528 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.165 6.840 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.657 7.734 -0.074 1.00 0.00 H new ATOM 350 N PHE A 24 -9.680 4.317 -3.826 1.00 0.00 N ATOM 351 CA PHE A 24 -9.450 3.747 -5.136 1.00 0.00 C ATOM 352 C PHE A 24 -10.752 3.277 -5.751 1.00 0.00 C ATOM 353 O PHE A 24 -11.797 3.270 -5.091 1.00 0.00 O ATOM 354 CB PHE A 24 -8.432 2.587 -5.056 1.00 0.00 C ATOM 355 CG PHE A 24 -8.848 1.477 -4.138 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.615 1.571 -2.785 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.486 0.349 -4.627 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.008 0.577 -1.945 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.876 -0.651 -3.774 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.635 -0.533 -2.436 1.00 0.00 C ATOM 0 H PHE A 24 -10.515 3.976 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.031 4.523 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.279 2.181 -6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.472 2.981 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.116 2.442 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.677 0.257 -5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.824 0.665 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.372 -1.529 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.941 -1.320 -1.763 1.00 0.00 H new ATOM 370 N ASP A 25 -10.683 2.891 -6.994 1.00 0.00 N ATOM 371 CA ASP A 25 -11.821 2.372 -7.725 1.00 0.00 C ATOM 372 C ASP A 25 -11.766 0.866 -7.725 1.00 0.00 C ATOM 373 O ASP A 25 -10.714 0.283 -7.971 1.00 0.00 O ATOM 374 CB ASP A 25 -11.827 2.900 -9.169 1.00 0.00 C ATOM 375 CG ASP A 25 -12.853 2.208 -10.046 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.054 2.547 -9.970 1.00 0.00 O ATOM 377 OD2 ASP A 25 -12.471 1.305 -10.833 1.00 0.00 O ATOM 0 H ASP A 25 -9.824 2.926 -7.543 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.737 2.705 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.029 3.971 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.836 2.767 -9.603 1.00 0.00 H new ATOM 382 N GLY A 26 -12.861 0.247 -7.432 1.00 0.00 N ATOM 383 CA GLY A 26 -12.901 -1.184 -7.381 1.00 0.00 C ATOM 384 C GLY A 26 -13.031 -1.645 -5.969 1.00 0.00 C ATOM 385 O GLY A 26 -13.056 -0.823 -5.061 1.00 0.00 O ATOM 0 H GLY A 26 -13.746 0.708 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.740 -1.553 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.995 -1.597 -7.824 1.00 0.00 H new ATOM 389 N LEU A 27 -13.109 -2.926 -5.760 1.00 0.00 N ATOM 390 CA LEU A 27 -13.264 -3.454 -4.419 1.00 0.00 C ATOM 391 C LEU A 27 -11.870 -3.619 -3.818 1.00 0.00 C ATOM 392 O LEU A 27 -11.639 -3.407 -2.613 1.00 0.00 O ATOM 393 CB LEU A 27 -14.002 -4.808 -4.483 1.00 0.00 C ATOM 394 CG LEU A 27 -14.820 -5.240 -3.242 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.495 -6.558 -3.500 1.00 0.00 C ATOM 396 CD2 LEU A 27 -13.978 -5.338 -1.986 1.00 0.00 C ATOM 0 H LEU A 27 -13.069 -3.632 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.852 -2.780 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.678 -4.782 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.263 -5.584 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.565 -4.463 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.067 -6.852 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.166 -6.462 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.742 -7.317 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.606 -5.645 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.187 -6.073 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.534 -4.367 -1.769 1.00 0.00 H new ATOM 408 N HIS A 28 -10.948 -3.951 -4.670 1.00 0.00 N ATOM 409 CA HIS A 28 -9.581 -4.169 -4.292 1.00 0.00 C ATOM 410 C HIS A 28 -8.625 -3.565 -5.272 1.00 0.00 C ATOM 411 O HIS A 28 -9.011 -3.176 -6.382 1.00 0.00 O ATOM 412 CB HIS A 28 -9.248 -5.650 -3.993 1.00 0.00 C ATOM 413 CG HIS A 28 -9.947 -6.674 -4.823 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.484 -7.824 -4.292 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.188 -6.720 -6.147 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.034 -8.520 -5.288 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.881 -7.888 -6.449 1.00 0.00 N ATOM 0 H HIS A 28 -11.126 -4.081 -5.666 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.452 -3.644 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.174 -5.789 -4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.478 -5.846 -2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.890 -5.968 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.536 -9.469 -5.168 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.204 -8.195 -7.367 1.00 0.00 H new ATOM 425 N ILE A 29 -7.409 -3.436 -4.850 1.00 0.00 N ATOM 426 CA ILE A 29 -6.393 -2.820 -5.633 1.00 0.00 C ATOM 427 C ILE A 29 -5.106 -3.635 -5.621 1.00 0.00 C ATOM 428 O ILE A 29 -4.667 -4.100 -4.567 1.00 0.00 O ATOM 429 CB ILE A 29 -6.146 -1.362 -5.138 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.969 -0.730 -5.850 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.951 -1.304 -3.623 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.855 0.747 -5.613 1.00 0.00 C ATOM 0 H ILE A 29 -7.091 -3.761 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.735 -2.781 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.040 -0.788 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.051 -1.216 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.060 -0.913 -6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.782 -0.272 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.842 -1.688 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.090 -1.911 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.991 1.136 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.758 1.243 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.733 0.936 -4.546 1.00 0.00 H new ATOM 444 N SER A 30 -4.558 -3.870 -6.796 1.00 0.00 N ATOM 445 CA SER A 30 -3.282 -4.528 -6.930 1.00 0.00 C ATOM 446 C SER A 30 -2.170 -3.668 -6.288 1.00 0.00 C ATOM 447 O SER A 30 -2.187 -2.430 -6.375 1.00 0.00 O ATOM 448 CB SER A 30 -2.986 -4.785 -8.407 1.00 0.00 C ATOM 449 OG SER A 30 -4.029 -5.553 -9.001 1.00 0.00 O ATOM 0 H SER A 30 -4.988 -3.609 -7.683 1.00 0.00 H new ATOM 0 HA SER A 30 -3.314 -5.486 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.881 -3.836 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.037 -5.312 -8.507 1.00 0.00 H new ATOM 0 HG SER A 30 -3.824 -5.707 -9.947 1.00 0.00 H new ATOM 455 N LEU A 31 -1.230 -4.338 -5.674 1.00 0.00 N ATOM 456 CA LEU A 31 -0.147 -3.752 -4.912 1.00 0.00 C ATOM 457 C LEU A 31 0.661 -2.728 -5.700 1.00 0.00 C ATOM 458 O LEU A 31 1.040 -1.702 -5.151 1.00 0.00 O ATOM 459 CB LEU A 31 0.762 -4.867 -4.392 1.00 0.00 C ATOM 460 CG LEU A 31 1.925 -4.440 -3.521 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.429 -3.751 -2.274 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.780 -5.629 -3.166 1.00 0.00 C ATOM 0 H LEU A 31 -1.193 -5.357 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.592 -3.206 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.151 -5.569 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.159 -5.411 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 31 2.535 -3.732 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.279 -3.452 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.853 -2.868 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.796 -4.435 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.611 -5.305 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.180 -6.360 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.168 -6.083 -4.078 1.00 0.00 H new ATOM 474 N CYS A 32 0.923 -2.999 -6.968 1.00 0.00 N ATOM 475 CA CYS A 32 1.652 -2.055 -7.812 1.00 0.00 C ATOM 476 C CYS A 32 0.953 -0.696 -7.824 1.00 0.00 C ATOM 477 O CYS A 32 1.581 0.335 -7.594 1.00 0.00 O ATOM 478 CB CYS A 32 1.764 -2.566 -9.251 1.00 0.00 C ATOM 479 SG CYS A 32 2.731 -1.493 -10.338 1.00 0.00 S ATOM 0 H CYS A 32 0.645 -3.860 -7.438 1.00 0.00 H new ATOM 0 HA CYS A 32 2.653 -1.952 -7.393 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.217 -3.558 -9.240 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.762 -2.678 -9.665 1.00 0.00 H new ATOM 0 HG CYS A 32 2.772 -2.007 -11.531 1.00 0.00 H new ATOM 485 N ASP A 33 -0.357 -0.717 -7.994 1.00 0.00 N ATOM 486 CA ASP A 33 -1.137 0.507 -8.083 1.00 0.00 C ATOM 487 C ASP A 33 -1.183 1.162 -6.714 1.00 0.00 C ATOM 488 O ASP A 33 -0.965 2.370 -6.575 1.00 0.00 O ATOM 489 CB ASP A 33 -2.566 0.198 -8.562 1.00 0.00 C ATOM 490 CG ASP A 33 -3.329 1.429 -9.052 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.572 2.373 -8.279 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.696 1.462 -10.243 1.00 0.00 O ATOM 0 H ASP A 33 -0.906 -1.573 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.671 1.181 -8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.519 -0.534 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.122 -0.262 -7.745 1.00 0.00 H new ATOM 497 N LEU A 34 -1.365 0.325 -5.701 1.00 0.00 N ATOM 498 CA LEU A 34 -1.496 0.773 -4.318 1.00 0.00 C ATOM 499 C LEU A 34 -0.228 1.434 -3.813 1.00 0.00 C ATOM 500 O LEU A 34 -0.281 2.521 -3.225 1.00 0.00 O ATOM 501 CB LEU A 34 -1.978 -0.380 -3.400 1.00 0.00 C ATOM 502 CG LEU A 34 -1.994 -0.115 -1.881 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.141 -0.863 -1.234 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.687 -0.589 -1.250 1.00 0.00 C ATOM 0 H LEU A 34 -1.426 -0.687 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.267 1.543 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.988 -0.654 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.343 -1.246 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.114 0.957 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.143 -0.669 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.084 -0.527 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.023 -1.932 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.710 -0.397 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.565 -1.658 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.149 -0.051 -1.697 1.00 0.00 H new ATOM 516 N LYS A 35 0.911 0.809 -4.071 1.00 0.00 N ATOM 517 CA LYS A 35 2.181 1.365 -3.660 1.00 0.00 C ATOM 518 C LYS A 35 2.412 2.690 -4.323 1.00 0.00 C ATOM 519 O LYS A 35 2.806 3.628 -3.675 1.00 0.00 O ATOM 520 CB LYS A 35 3.355 0.435 -3.946 1.00 0.00 C ATOM 521 CG LYS A 35 3.348 -0.851 -3.143 1.00 0.00 C ATOM 522 CD LYS A 35 4.591 -1.706 -3.409 1.00 0.00 C ATOM 523 CE LYS A 35 4.753 -2.127 -4.856 1.00 0.00 C ATOM 524 NZ LYS A 35 5.947 -2.979 -5.030 1.00 0.00 N ATOM 0 H LYS A 35 0.977 -0.082 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 35 2.127 1.496 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.355 0.186 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.283 0.970 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.293 -0.614 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.455 -1.425 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.476 -1.147 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.546 -2.598 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.865 -2.668 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.838 -1.243 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.064 -3.212 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.789 -2.470 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.830 -3.856 -4.483 1.00 0.00 H new ATOM 538 N LYS A 36 2.096 2.775 -5.607 1.00 0.00 N ATOM 539 CA LYS A 36 2.263 4.019 -6.350 1.00 0.00 C ATOM 540 C LYS A 36 1.404 5.139 -5.780 1.00 0.00 C ATOM 541 O LYS A 36 1.835 6.304 -5.754 1.00 0.00 O ATOM 542 CB LYS A 36 2.000 3.836 -7.846 1.00 0.00 C ATOM 543 CG LYS A 36 3.232 3.461 -8.681 1.00 0.00 C ATOM 544 CD LYS A 36 3.917 2.183 -8.220 1.00 0.00 C ATOM 545 CE LYS A 36 5.102 1.860 -9.112 1.00 0.00 C ATOM 546 NZ LYS A 36 5.795 0.617 -8.716 1.00 0.00 N ATOM 0 H LYS A 36 1.723 2.001 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 36 3.307 4.310 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.244 3.062 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.580 4.761 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.933 3.347 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.949 4.281 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.251 2.295 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.206 1.357 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.760 1.767 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.809 2.689 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.595 0.446 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.147 0.711 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.131 -0.182 -8.768 1.00 0.00 H new ATOM 560 N GLN A 37 0.219 4.796 -5.294 1.00 0.00 N ATOM 561 CA GLN A 37 -0.644 5.784 -4.681 1.00 0.00 C ATOM 562 C GLN A 37 -0.071 6.222 -3.353 1.00 0.00 C ATOM 563 O GLN A 37 0.026 7.398 -3.086 1.00 0.00 O ATOM 564 CB GLN A 37 -2.076 5.282 -4.489 1.00 0.00 C ATOM 565 CG GLN A 37 -2.793 4.931 -5.773 1.00 0.00 C ATOM 566 CD GLN A 37 -4.275 4.706 -5.574 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.900 5.308 -4.704 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.851 3.853 -6.364 1.00 0.00 N ATOM 0 H GLN A 37 -0.160 3.849 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.690 6.632 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.056 4.402 -3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.649 6.047 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.646 5.733 -6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.348 4.032 -6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.305 3.369 -7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.850 3.667 -6.272 1.00 0.00 H new ATOM 577 N ILE A 38 0.364 5.267 -2.548 1.00 0.00 N ATOM 578 CA ILE A 38 0.905 5.571 -1.224 1.00 0.00 C ATOM 579 C ILE A 38 2.248 6.315 -1.325 1.00 0.00 C ATOM 580 O ILE A 38 2.510 7.260 -0.566 1.00 0.00 O ATOM 581 CB ILE A 38 1.036 4.297 -0.346 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.350 3.663 -0.140 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.678 4.628 1.000 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.340 2.396 0.687 1.00 0.00 C ATOM 0 H ILE A 38 0.355 4.275 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 38 0.192 6.232 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 38 1.681 3.584 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.002 4.392 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.784 3.443 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.759 3.720 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.672 5.045 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.062 5.356 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.357 2.016 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.283 1.647 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.062 2.611 1.677 1.00 0.00 H new ATOM 596 N MET A 39 3.068 5.922 -2.285 1.00 0.00 N ATOM 597 CA MET A 39 4.341 6.588 -2.520 1.00 0.00 C ATOM 598 C MET A 39 4.105 8.030 -2.945 1.00 0.00 C ATOM 599 O MET A 39 4.817 8.929 -2.524 1.00 0.00 O ATOM 600 CB MET A 39 5.187 5.856 -3.571 1.00 0.00 C ATOM 601 CG MET A 39 5.641 4.453 -3.173 1.00 0.00 C ATOM 602 SD MET A 39 6.681 3.709 -4.442 1.00 0.00 S ATOM 603 CE MET A 39 7.147 2.165 -3.667 1.00 0.00 C ATOM 0 H MET A 39 2.876 5.144 -2.916 1.00 0.00 H new ATOM 0 HA MET A 39 4.899 6.573 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.612 5.787 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.069 6.458 -3.789 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.191 4.501 -2.233 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.769 3.823 -3.001 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.778 1.592 -4.347 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.697 2.370 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.251 1.590 -3.433 1.00 0.00 H new ATOM 613 N GLY A 40 3.086 8.240 -3.757 1.00 0.00 N ATOM 614 CA GLY A 40 2.713 9.580 -4.189 1.00 0.00 C ATOM 615 C GLY A 40 2.040 10.366 -3.073 1.00 0.00 C ATOM 616 O GLY A 40 2.152 11.577 -2.995 1.00 0.00 O ATOM 0 H GLY A 40 2.497 7.497 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.602 10.114 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.040 9.512 -5.043 1.00 0.00 H new ATOM 620 N ARG A 41 1.338 9.655 -2.233 1.00 0.00 N ATOM 621 CA ARG A 41 0.604 10.197 -1.090 1.00 0.00 C ATOM 622 C ARG A 41 1.563 10.811 -0.068 1.00 0.00 C ATOM 623 O ARG A 41 1.412 11.970 0.329 1.00 0.00 O ATOM 624 CB ARG A 41 -0.160 9.029 -0.446 1.00 0.00 C ATOM 625 CG ARG A 41 -0.971 9.314 0.806 1.00 0.00 C ATOM 626 CD ARG A 41 -2.226 10.112 0.545 1.00 0.00 C ATOM 627 NE ARG A 41 -3.115 10.079 1.724 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.082 10.958 1.995 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.298 11.983 1.195 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.839 10.789 3.064 1.00 0.00 N ATOM 0 H ARG A 41 1.250 8.642 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.076 10.982 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.836 8.618 -1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.562 8.249 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.243 8.369 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.347 9.856 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.965 11.143 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.747 9.707 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.978 9.318 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.724 12.109 0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.039 12.650 1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.683 9.990 3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.579 11.458 3.276 1.00 0.00 H new ATOM 644 N GLU A 42 2.565 10.039 0.314 1.00 0.00 N ATOM 645 CA GLU A 42 3.491 10.431 1.374 1.00 0.00 C ATOM 646 C GLU A 42 4.745 11.095 0.854 1.00 0.00 C ATOM 647 O GLU A 42 5.465 11.746 1.615 1.00 0.00 O ATOM 648 CB GLU A 42 3.927 9.227 2.133 1.00 0.00 C ATOM 649 CG GLU A 42 2.851 8.525 2.958 1.00 0.00 C ATOM 650 CD GLU A 42 2.338 9.358 4.108 1.00 0.00 C ATOM 651 OE1 GLU A 42 3.021 9.431 5.152 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.238 9.948 4.008 1.00 0.00 O ATOM 0 H GLU A 42 2.763 9.126 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 42 2.947 11.141 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.341 8.508 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.737 9.518 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.016 8.265 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.255 7.590 3.348 1.00 0.00 H new ATOM 659 N LYS A 43 4.998 10.900 -0.415 1.00 0.00 N ATOM 660 CA LYS A 43 6.178 11.378 -1.136 1.00 0.00 C ATOM 661 C LYS A 43 7.380 10.486 -0.903 1.00 0.00 C ATOM 662 O LYS A 43 8.314 10.825 -0.168 1.00 0.00 O ATOM 663 CB LYS A 43 6.534 12.868 -0.925 1.00 0.00 C ATOM 664 CG LYS A 43 5.391 13.830 -1.103 1.00 0.00 C ATOM 665 CD LYS A 43 4.547 13.427 -2.259 1.00 0.00 C ATOM 666 CE LYS A 43 3.527 14.487 -2.604 1.00 0.00 C ATOM 667 NZ LYS A 43 4.160 15.762 -3.033 1.00 0.00 N ATOM 0 H LYS A 43 4.360 10.377 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 43 5.887 11.314 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.938 12.990 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.327 13.138 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.787 13.858 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.777 14.837 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.182 13.238 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.036 12.492 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.880 14.120 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.892 14.673 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.472 16.328 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.469 16.295 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.983 15.556 -3.635 1.00 0.00 H new ATOM 681 N LEU A 44 7.305 9.314 -1.459 1.00 0.00 N ATOM 682 CA LEU A 44 8.398 8.380 -1.404 1.00 0.00 C ATOM 683 C LEU A 44 9.235 8.422 -2.660 1.00 0.00 C ATOM 684 O LEU A 44 8.827 8.977 -3.692 1.00 0.00 O ATOM 685 CB LEU A 44 7.955 6.935 -1.144 1.00 0.00 C ATOM 686 CG LEU A 44 7.766 6.515 0.315 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.575 7.198 0.956 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.657 5.009 0.411 1.00 0.00 C ATOM 0 H LEU A 44 6.486 8.975 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 44 8.998 8.702 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.013 6.771 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.691 6.269 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 44 8.644 6.838 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.480 6.869 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.718 8.278 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.669 6.939 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.523 4.720 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.802 4.668 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.567 4.553 0.022 1.00 0.00 H new ATOM 700 N LYS A 45 10.388 7.823 -2.562 1.00 0.00 N ATOM 701 CA LYS A 45 11.309 7.677 -3.652 1.00 0.00 C ATOM 702 C LYS A 45 11.310 6.215 -4.121 1.00 0.00 C ATOM 703 O LYS A 45 11.906 5.326 -3.489 1.00 0.00 O ATOM 704 CB LYS A 45 12.702 8.169 -3.226 1.00 0.00 C ATOM 705 CG LYS A 45 13.119 7.704 -1.832 1.00 0.00 C ATOM 706 CD LYS A 45 14.500 8.199 -1.447 1.00 0.00 C ATOM 707 CE LYS A 45 14.568 9.712 -1.289 1.00 0.00 C ATOM 708 NZ LYS A 45 13.703 10.202 -0.191 1.00 0.00 N ATOM 0 H LYS A 45 10.723 7.409 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 45 11.003 8.291 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.438 7.820 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.717 9.258 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.392 8.058 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.103 6.615 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.801 7.728 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.217 7.886 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.599 10.009 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.269 10.186 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.919 11.201 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.705 10.111 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.877 9.638 0.666 1.00 0.00 H new ATOM 722 N ALA A 46 10.627 5.970 -5.210 1.00 0.00 N ATOM 723 CA ALA A 46 10.401 4.619 -5.712 1.00 0.00 C ATOM 724 C ALA A 46 11.643 4.011 -6.367 1.00 0.00 C ATOM 725 O ALA A 46 11.707 2.807 -6.593 1.00 0.00 O ATOM 726 CB ALA A 46 9.210 4.603 -6.660 1.00 0.00 C ATOM 0 H ALA A 46 10.205 6.700 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 46 10.177 3.988 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.051 3.589 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.319 4.940 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.406 5.268 -7.501 1.00 0.00 H new ATOM 732 N ALA A 47 12.629 4.835 -6.653 1.00 0.00 N ATOM 733 CA ALA A 47 13.871 4.355 -7.244 1.00 0.00 C ATOM 734 C ALA A 47 14.892 4.040 -6.153 1.00 0.00 C ATOM 735 O ALA A 47 16.042 3.666 -6.425 1.00 0.00 O ATOM 736 CB ALA A 47 14.431 5.382 -8.218 1.00 0.00 C ATOM 0 H ALA A 47 12.599 5.841 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 47 13.660 3.439 -7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.359 5.006 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.707 5.562 -9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.628 6.315 -7.690 1.00 0.00 H new ATOM 742 N ASP A 48 14.472 4.202 -4.923 1.00 0.00 N ATOM 743 CA ASP A 48 15.332 3.955 -3.774 1.00 0.00 C ATOM 744 C ASP A 48 14.759 2.864 -2.902 1.00 0.00 C ATOM 745 O ASP A 48 15.488 2.035 -2.356 1.00 0.00 O ATOM 746 CB ASP A 48 15.487 5.236 -2.958 1.00 0.00 C ATOM 747 CG ASP A 48 16.281 5.070 -1.669 1.00 0.00 C ATOM 748 OD1 ASP A 48 15.680 4.768 -0.616 1.00 0.00 O ATOM 749 OD2 ASP A 48 17.519 5.289 -1.679 1.00 0.00 O ATOM 0 H ASP A 48 13.529 4.507 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 48 16.308 3.634 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.975 5.989 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.496 5.618 -2.713 1.00 0.00 H new ATOM 754 N CYS A 49 13.467 2.831 -2.793 1.00 0.00 N ATOM 755 CA CYS A 49 12.847 1.899 -1.911 1.00 0.00 C ATOM 756 C CYS A 49 11.607 1.290 -2.520 1.00 0.00 C ATOM 757 O CYS A 49 11.048 1.811 -3.496 1.00 0.00 O ATOM 758 CB CYS A 49 12.509 2.608 -0.602 1.00 0.00 C ATOM 759 SG CYS A 49 11.469 4.074 -0.805 1.00 0.00 S ATOM 0 H CYS A 49 12.825 3.438 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 49 13.542 1.081 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.003 1.905 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.436 2.899 -0.108 1.00 0.00 H new ATOM 0 HG CYS A 49 11.680 4.597 -1.976 1.00 0.00 H new ATOM 765 N ASP A 50 11.197 0.200 -1.950 1.00 0.00 N ATOM 766 CA ASP A 50 9.999 -0.478 -2.328 1.00 0.00 C ATOM 767 C ASP A 50 9.076 -0.383 -1.148 1.00 0.00 C ATOM 768 O ASP A 50 9.512 -0.032 -0.033 1.00 0.00 O ATOM 769 CB ASP A 50 10.276 -1.943 -2.690 1.00 0.00 C ATOM 770 CG ASP A 50 9.039 -2.682 -3.224 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.114 -2.027 -3.765 1.00 0.00 O ATOM 772 OD2 ASP A 50 8.981 -3.928 -3.127 1.00 0.00 O ATOM 0 H ASP A 50 11.701 -0.254 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 50 9.558 -0.024 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.066 -1.981 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.649 -2.464 -1.808 1.00 0.00 H new ATOM 777 N LEU A 51 7.864 -0.684 -1.340 1.00 0.00 N ATOM 778 CA LEU A 51 6.917 -0.507 -0.317 1.00 0.00 C ATOM 779 C LEU A 51 6.344 -1.858 0.057 1.00 0.00 C ATOM 780 O LEU A 51 5.575 -2.446 -0.682 1.00 0.00 O ATOM 781 CB LEU A 51 5.872 0.480 -0.820 1.00 0.00 C ATOM 782 CG LEU A 51 4.980 1.126 0.190 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.822 1.829 1.227 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.077 2.128 -0.487 1.00 0.00 C ATOM 0 H LEU A 51 7.492 -1.062 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 51 7.354 -0.093 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.391 1.270 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.241 -0.039 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 51 4.370 0.361 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.172 2.301 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.468 1.105 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.434 2.590 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.430 2.595 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.682 2.893 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.466 1.621 -1.233 1.00 0.00 H new ATOM 796 N GLN A 52 6.755 -2.360 1.184 1.00 0.00 N ATOM 797 CA GLN A 52 6.354 -3.670 1.603 1.00 0.00 C ATOM 798 C GLN A 52 5.103 -3.513 2.418 1.00 0.00 C ATOM 799 O GLN A 52 5.081 -2.772 3.400 1.00 0.00 O ATOM 800 CB GLN A 52 7.420 -4.319 2.472 1.00 0.00 C ATOM 801 CG GLN A 52 7.452 -5.839 2.388 1.00 0.00 C ATOM 802 CD GLN A 52 8.107 -6.335 1.103 1.00 0.00 C ATOM 803 OE1 GLN A 52 9.316 -6.564 1.067 1.00 0.00 O ATOM 804 NE2 GLN A 52 7.341 -6.511 0.053 1.00 0.00 N ATOM 0 H GLN A 52 7.374 -1.876 1.835 1.00 0.00 H new ATOM 0 HA GLN A 52 6.197 -4.301 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.396 -3.929 2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.255 -4.027 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.994 -6.237 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.434 -6.225 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.342 -6.313 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.744 -6.846 -0.822 1.00 0.00 H new ATOM 813 N ILE A 53 4.076 -4.165 2.030 1.00 0.00 N ATOM 814 CA ILE A 53 2.835 -4.021 2.717 1.00 0.00 C ATOM 815 C ILE A 53 2.532 -5.318 3.444 1.00 0.00 C ATOM 816 O ILE A 53 2.765 -6.399 2.915 1.00 0.00 O ATOM 817 CB ILE A 53 1.683 -3.692 1.724 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.070 -2.546 0.759 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.399 -3.345 2.463 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.414 -1.219 1.384 1.00 0.00 C ATOM 0 H ILE A 53 4.061 -4.808 1.238 1.00 0.00 H new ATOM 0 HA ILE A 53 2.912 -3.197 3.426 1.00 0.00 H new ATOM 0 HB ILE A 53 1.509 -4.590 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.924 -2.874 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.243 -2.391 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.387 -3.120 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.094 -4.191 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.568 -2.475 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.667 -0.503 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.559 -0.851 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.266 -1.342 2.052 1.00 0.00 H new ATOM 832 N THR A 54 2.116 -5.223 4.654 1.00 0.00 N ATOM 833 CA THR A 54 1.694 -6.366 5.406 1.00 0.00 C ATOM 834 C THR A 54 0.274 -6.110 5.864 1.00 0.00 C ATOM 835 O THR A 54 -0.064 -4.998 6.171 1.00 0.00 O ATOM 836 CB THR A 54 2.608 -6.571 6.621 1.00 0.00 C ATOM 837 OG1 THR A 54 3.975 -6.591 6.175 1.00 0.00 O ATOM 838 CG2 THR A 54 2.282 -7.880 7.337 1.00 0.00 C ATOM 0 H THR A 54 2.055 -4.342 5.164 1.00 0.00 H new ATOM 0 HA THR A 54 1.745 -7.265 4.792 1.00 0.00 H new ATOM 0 HB THR A 54 2.451 -5.753 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.568 -6.720 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.944 -8.001 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.247 -7.860 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.422 -8.715 6.650 1.00 0.00 H new ATOM 846 N ASN A 55 -0.562 -7.101 5.846 1.00 0.00 N ATOM 847 CA ASN A 55 -1.933 -6.924 6.295 1.00 0.00 C ATOM 848 C ASN A 55 -1.953 -6.761 7.808 1.00 0.00 C ATOM 849 O ASN A 55 -1.224 -7.440 8.497 1.00 0.00 O ATOM 850 CB ASN A 55 -2.777 -8.112 5.902 1.00 0.00 C ATOM 851 CG ASN A 55 -4.241 -7.850 6.030 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.803 -7.974 7.089 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.871 -7.548 4.971 1.00 0.00 N ATOM 0 H ASN A 55 -0.333 -8.043 5.529 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.345 -6.032 5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.551 -8.388 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.509 -8.964 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.880 -7.403 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.368 -7.450 4.089 1.00 0.00 H new ATOM 860 N ALA A 56 -2.774 -5.869 8.316 1.00 0.00 N ATOM 861 CA ALA A 56 -2.838 -5.622 9.754 1.00 0.00 C ATOM 862 C ALA A 56 -3.608 -6.719 10.450 1.00 0.00 C ATOM 863 O ALA A 56 -3.338 -7.068 11.595 1.00 0.00 O ATOM 864 CB ALA A 56 -3.516 -4.292 10.025 1.00 0.00 C ATOM 0 H ALA A 56 -3.411 -5.298 7.760 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.819 -5.601 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.559 -4.118 11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.949 -3.491 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.528 -4.310 9.620 1.00 0.00 H new ATOM 870 N GLN A 57 -4.526 -7.281 9.736 1.00 0.00 N ATOM 871 CA GLN A 57 -5.449 -8.240 10.273 1.00 0.00 C ATOM 872 C GLN A 57 -4.974 -9.671 10.066 1.00 0.00 C ATOM 873 O GLN A 57 -4.938 -10.459 11.003 1.00 0.00 O ATOM 874 CB GLN A 57 -6.780 -8.036 9.596 1.00 0.00 C ATOM 875 CG GLN A 57 -7.386 -6.668 9.856 1.00 0.00 C ATOM 876 CD GLN A 57 -8.623 -6.415 9.040 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.549 -5.868 7.933 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.754 -6.845 9.534 1.00 0.00 N ATOM 0 H GLN A 57 -4.663 -7.087 8.744 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.530 -8.087 11.349 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.657 -8.173 8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.474 -8.804 9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.630 -6.579 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.646 -5.899 9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.773 -7.291 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.617 -6.735 9.002 1.00 0.00 H new ATOM 887 N THR A 58 -4.593 -10.000 8.856 1.00 0.00 N ATOM 888 CA THR A 58 -4.225 -11.359 8.545 1.00 0.00 C ATOM 889 C THR A 58 -2.730 -11.527 8.709 1.00 0.00 C ATOM 890 O THR A 58 -2.224 -12.635 8.826 1.00 0.00 O ATOM 891 CB THR A 58 -4.627 -11.719 7.090 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.794 -11.008 6.164 1.00 0.00 O ATOM 893 CG2 THR A 58 -6.065 -11.308 6.821 1.00 0.00 C ATOM 0 H THR A 58 -4.530 -9.349 8.074 1.00 0.00 H new ATOM 0 HA THR A 58 -4.752 -12.026 9.227 1.00 0.00 H new ATOM 0 HB THR A 58 -4.512 -12.796 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.051 -11.240 5.247 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.332 -11.567 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.728 -11.830 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.168 -10.232 6.962 1.00 0.00 H new ATOM 901 N LYS A 59 -2.036 -10.384 8.714 1.00 0.00 N ATOM 902 CA LYS A 59 -0.591 -10.298 8.809 1.00 0.00 C ATOM 903 C LYS A 59 0.106 -10.904 7.591 1.00 0.00 C ATOM 904 O LYS A 59 1.286 -11.240 7.642 1.00 0.00 O ATOM 905 CB LYS A 59 -0.054 -10.855 10.135 1.00 0.00 C ATOM 906 CG LYS A 59 -0.493 -10.077 11.383 1.00 0.00 C ATOM 907 CD LYS A 59 -0.175 -8.586 11.263 1.00 0.00 C ATOM 908 CE LYS A 59 -0.169 -7.867 12.617 1.00 0.00 C ATOM 909 NZ LYS A 59 -1.465 -7.939 13.331 1.00 0.00 N ATOM 0 H LYS A 59 -2.486 -9.471 8.650 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.344 -9.236 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.379 -11.891 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.035 -10.865 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.564 -10.209 11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.007 -10.486 12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.799 -8.464 10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.909 -8.114 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.608 -8.301 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.094 -6.821 12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.354 -7.554 14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.177 -7.384 12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.775 -8.930 13.389 1.00 0.00 H new ATOM 923 N GLU A 60 -0.618 -10.977 6.483 1.00 0.00 N ATOM 924 CA GLU A 60 -0.062 -11.474 5.233 1.00 0.00 C ATOM 925 C GLU A 60 0.782 -10.392 4.593 1.00 0.00 C ATOM 926 O GLU A 60 0.333 -9.252 4.466 1.00 0.00 O ATOM 927 CB GLU A 60 -1.186 -11.871 4.274 1.00 0.00 C ATOM 928 CG GLU A 60 -0.726 -12.385 2.908 1.00 0.00 C ATOM 929 CD GLU A 60 -1.883 -12.757 2.012 1.00 0.00 C ATOM 930 OE1 GLU A 60 -2.424 -13.876 2.142 1.00 0.00 O ATOM 931 OE2 GLU A 60 -2.307 -11.931 1.176 1.00 0.00 O ATOM 0 H GLU A 60 -1.597 -10.697 6.425 1.00 0.00 H new ATOM 0 HA GLU A 60 0.553 -12.349 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.792 -12.642 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.833 -11.007 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.123 -11.619 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.084 -13.255 3.048 1.00 0.00 H new ATOM 938 N GLU A 61 1.985 -10.723 4.226 1.00 0.00 N ATOM 939 CA GLU A 61 2.825 -9.815 3.546 1.00 0.00 C ATOM 940 C GLU A 61 2.513 -9.842 2.083 1.00 0.00 C ATOM 941 O GLU A 61 2.298 -10.899 1.495 1.00 0.00 O ATOM 942 CB GLU A 61 4.272 -10.165 3.754 1.00 0.00 C ATOM 943 CG GLU A 61 4.804 -9.805 5.114 1.00 0.00 C ATOM 944 CD GLU A 61 6.197 -10.343 5.341 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.332 -11.524 5.727 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.188 -9.612 5.132 1.00 0.00 O ATOM 0 H GLU A 61 2.402 -11.638 4.396 1.00 0.00 H new ATOM 0 HA GLU A 61 2.647 -8.817 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.401 -11.236 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.869 -9.658 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.813 -8.721 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.135 -10.198 5.880 1.00 0.00 H new ATOM 953 N TYR A 62 2.460 -8.707 1.517 1.00 0.00 N ATOM 954 CA TYR A 62 2.229 -8.572 0.113 1.00 0.00 C ATOM 955 C TYR A 62 3.579 -8.429 -0.551 1.00 0.00 C ATOM 956 O TYR A 62 4.213 -7.368 -0.491 1.00 0.00 O ATOM 957 CB TYR A 62 1.315 -7.372 -0.169 1.00 0.00 C ATOM 958 CG TYR A 62 -0.018 -7.477 0.556 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.051 -8.237 0.040 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.226 -6.838 1.766 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.250 -8.356 0.698 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.422 -6.953 2.435 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.429 -7.712 1.897 1.00 0.00 C ATOM 964 OH TYR A 62 -3.626 -7.827 2.560 1.00 0.00 O ATOM 0 H TYR A 62 2.576 -7.821 2.010 1.00 0.00 H new ATOM 0 HA TYR A 62 1.716 -9.446 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.820 -6.455 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.137 -7.298 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.912 -8.748 -0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.565 -6.239 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.046 -8.951 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.567 -6.448 3.379 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.031 -8.696 2.356 1.00 0.00 H new ATOM 974 N THR A 63 4.059 -9.522 -1.077 1.00 0.00 N ATOM 975 CA THR A 63 5.369 -9.587 -1.655 1.00 0.00 C ATOM 976 C THR A 63 5.391 -9.291 -3.158 1.00 0.00 C ATOM 977 O THR A 63 6.279 -8.578 -3.644 1.00 0.00 O ATOM 978 CB THR A 63 5.984 -10.963 -1.347 1.00 0.00 C ATOM 979 OG1 THR A 63 4.955 -11.974 -1.484 1.00 0.00 O ATOM 980 CG2 THR A 63 6.540 -11.000 0.074 1.00 0.00 C ATOM 0 H THR A 63 3.544 -10.402 -1.116 1.00 0.00 H new ATOM 0 HA THR A 63 5.970 -8.799 -1.201 1.00 0.00 H new ATOM 0 HB THR A 63 6.801 -11.152 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.336 -12.856 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.970 -11.982 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.311 -10.238 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.736 -10.807 0.784 1.00 0.00 H new ATOM 988 N ASP A 64 4.421 -9.803 -3.886 1.00 0.00 N ATOM 989 CA ASP A 64 4.399 -9.606 -5.333 1.00 0.00 C ATOM 990 C ASP A 64 3.591 -8.372 -5.632 1.00 0.00 C ATOM 991 O ASP A 64 2.617 -8.113 -4.948 1.00 0.00 O ATOM 992 CB ASP A 64 3.746 -10.792 -6.040 1.00 0.00 C ATOM 993 CG ASP A 64 4.135 -10.882 -7.481 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.674 -10.073 -8.277 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.889 -11.795 -7.843 1.00 0.00 O ATOM 0 H ASP A 64 3.646 -10.351 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 64 5.425 -9.507 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.028 -11.714 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.662 -10.705 -5.964 1.00 0.00 H new ATOM 1000 N ASP A 65 3.942 -7.646 -6.678 1.00 0.00 N ATOM 1001 CA ASP A 65 3.229 -6.398 -7.042 1.00 0.00 C ATOM 1002 C ASP A 65 1.802 -6.695 -7.472 1.00 0.00 C ATOM 1003 O ASP A 65 0.950 -5.799 -7.538 1.00 0.00 O ATOM 1004 CB ASP A 65 3.909 -5.640 -8.186 1.00 0.00 C ATOM 1005 CG ASP A 65 5.317 -5.183 -7.917 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.503 -4.094 -7.351 1.00 0.00 O ATOM 1007 OD2 ASP A 65 6.268 -5.879 -8.324 1.00 0.00 O ATOM 0 H ASP A 65 4.714 -7.885 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 65 3.245 -5.778 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.916 -6.280 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.303 -4.767 -8.430 1.00 0.00 H new ATOM 1012 N ASN A 66 1.551 -7.944 -7.764 1.00 0.00 N ATOM 1013 CA ASN A 66 0.249 -8.390 -8.206 1.00 0.00 C ATOM 1014 C ASN A 66 -0.626 -8.773 -7.032 1.00 0.00 C ATOM 1015 O ASN A 66 -1.779 -9.150 -7.216 1.00 0.00 O ATOM 1016 CB ASN A 66 0.380 -9.557 -9.178 1.00 0.00 C ATOM 1017 CG ASN A 66 1.131 -9.188 -10.442 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.539 -8.785 -11.454 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.424 -9.287 -10.394 1.00 0.00 N ATOM 0 H ASN A 66 2.246 -8.688 -7.703 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.229 -7.559 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.894 -10.380 -8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.614 -9.916 -9.443 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.986 -9.029 -11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.879 -9.622 -9.545 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.082 -8.674 -5.822 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.849 -8.949 -4.624 1.00 0.00 C ATOM 1028 C ALA A 67 -1.932 -7.892 -4.483 1.00 0.00 C ATOM 1029 O ALA A 67 -1.723 -6.767 -4.872 1.00 0.00 O ATOM 1030 CB ALA A 67 0.048 -8.990 -3.408 1.00 0.00 C ATOM 0 H ALA A 67 0.887 -8.405 -5.652 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.318 -9.930 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.551 -9.198 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.795 -9.774 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.547 -8.028 -3.291 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.073 -8.236 -3.982 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.178 -7.295 -3.984 1.00 0.00 C ATOM 1038 C LEU A 68 -4.651 -6.939 -2.577 1.00 0.00 C ATOM 1039 O LEU A 68 -4.726 -7.810 -1.688 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.318 -7.832 -4.852 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.100 -9.013 -4.285 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.305 -8.526 -3.532 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.476 -10.006 -5.363 1.00 0.00 C ATOM 0 H LEU A 68 -3.277 -9.146 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.820 -6.361 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.017 -7.017 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.904 -8.127 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.454 -9.544 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.854 -9.379 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.986 -7.883 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.951 -7.962 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.032 -10.832 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.096 -9.513 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.572 -10.389 -5.836 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.925 -5.675 -2.354 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.474 -5.262 -1.083 1.00 0.00 C ATOM 1057 C ILE A 69 -6.895 -4.711 -1.282 1.00 0.00 C ATOM 1058 O ILE A 69 -7.102 -3.771 -2.038 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.602 -4.199 -0.311 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.180 -4.705 0.002 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.291 -3.759 0.983 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.205 -4.694 -1.161 1.00 0.00 C ATOM 0 H ILE A 69 -4.779 -4.922 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.484 -6.157 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.505 -3.344 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.766 -4.095 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.253 -5.724 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.668 -3.026 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.257 -3.313 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.439 -4.624 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.237 -5.069 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.585 -5.330 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.091 -3.675 -1.531 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.883 -5.352 -0.676 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.264 -4.873 -0.677 1.00 0.00 C ATOM 1076 C PRO A 70 -9.520 -3.801 0.380 1.00 0.00 C ATOM 1077 O PRO A 70 -8.863 -3.769 1.423 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.057 -6.115 -0.347 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.128 -6.962 0.456 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.742 -6.633 0.015 1.00 0.00 C ATOM 0 HA PRO A 70 -9.526 -4.406 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.957 -5.871 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.379 -6.630 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.250 -6.765 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.340 -8.020 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.061 -6.556 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.341 -7.401 -0.647 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.520 -2.957 0.135 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.849 -1.865 1.047 1.00 0.00 C ATOM 1090 C LYS A 71 -11.414 -2.312 2.383 1.00 0.00 C ATOM 1091 O LYS A 71 -11.550 -1.522 3.299 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.724 -0.834 0.356 1.00 0.00 C ATOM 1093 CG LYS A 71 -12.965 -1.366 -0.347 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.139 -1.592 0.584 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.446 -1.699 -0.196 1.00 0.00 C ATOM 1096 NZ LYS A 71 -15.787 -0.431 -0.899 1.00 0.00 N ATOM 0 H LYS A 71 -11.118 -3.009 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.903 -1.390 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.039 -0.100 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.115 -0.305 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.260 -0.664 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.718 -2.305 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.980 -2.504 1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.204 -0.771 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.368 -2.506 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.254 -1.963 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.767 -0.478 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.689 0.368 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.143 -0.297 -1.705 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.742 -3.568 2.488 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.226 -4.104 3.768 1.00 0.00 C ATOM 1112 C ASN A 72 -11.073 -4.572 4.643 1.00 0.00 C ATOM 1113 O ASN A 72 -11.272 -5.021 5.764 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.290 -5.213 3.621 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.611 -4.708 3.051 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -15.458 -4.189 3.781 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.844 -4.922 1.777 1.00 0.00 N ATOM 0 H ASN A 72 -11.691 -4.246 1.728 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.728 -3.271 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.899 -5.998 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.472 -5.664 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.742 -4.657 1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.127 -5.353 1.193 1.00 0.00 H new ATOM 1124 N SER A 73 -9.872 -4.470 4.125 1.00 0.00 N ATOM 1125 CA SER A 73 -8.702 -4.847 4.857 1.00 0.00 C ATOM 1126 C SER A 73 -7.927 -3.605 5.294 1.00 0.00 C ATOM 1127 O SER A 73 -7.852 -2.614 4.560 1.00 0.00 O ATOM 1128 CB SER A 73 -7.806 -5.745 3.996 1.00 0.00 C ATOM 1129 OG SER A 73 -8.482 -6.938 3.608 1.00 0.00 O ATOM 0 H SER A 73 -9.686 -4.123 3.184 1.00 0.00 H new ATOM 0 HA SER A 73 -9.011 -5.400 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.489 -5.200 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.904 -6.001 4.552 1.00 0.00 H new ATOM 0 HG SER A 73 -7.885 -7.488 3.059 1.00 0.00 H new ATOM 1135 N SER A 74 -7.417 -3.639 6.491 1.00 0.00 N ATOM 1136 CA SER A 74 -6.540 -2.612 6.970 1.00 0.00 C ATOM 1137 C SER A 74 -5.116 -3.167 6.829 1.00 0.00 C ATOM 1138 O SER A 74 -4.867 -4.331 7.191 1.00 0.00 O ATOM 1139 CB SER A 74 -6.857 -2.294 8.440 1.00 0.00 C ATOM 1140 OG SER A 74 -8.255 -2.017 8.625 1.00 0.00 O ATOM 0 H SER A 74 -7.599 -4.383 7.165 1.00 0.00 H new ATOM 0 HA SER A 74 -6.656 -1.686 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.565 -3.136 9.068 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.268 -1.436 8.764 1.00 0.00 H new ATOM 0 HG SER A 74 -8.427 -1.820 9.569 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.210 -2.406 6.263 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.864 -2.905 6.031 1.00 0.00 C ATOM 1148 C VAL A 75 -1.780 -1.991 6.633 1.00 0.00 C ATOM 1149 O VAL A 75 -2.023 -0.824 6.933 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.590 -3.203 4.512 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.494 -4.316 4.002 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.804 -1.974 3.647 1.00 0.00 C ATOM 0 H VAL A 75 -4.372 -1.447 5.955 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.803 -3.856 6.560 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.547 -3.510 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.284 -4.502 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.310 -5.225 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.537 -4.019 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.604 -2.223 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.835 -1.633 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.127 -1.182 3.967 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.613 -2.547 6.831 1.00 0.00 N ATOM 1163 CA ILE A 76 0.528 -1.858 7.399 1.00 0.00 C ATOM 1164 C ILE A 76 1.482 -1.574 6.259 1.00 0.00 C ATOM 1165 O ILE A 76 1.732 -2.452 5.420 1.00 0.00 O ATOM 1166 CB ILE A 76 1.290 -2.747 8.438 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.319 -3.474 9.384 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.258 -1.886 9.262 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.536 -2.561 10.221 1.00 0.00 C ATOM 0 H ILE A 76 -0.420 -3.521 6.596 1.00 0.00 H new ATOM 0 HA ILE A 76 0.181 -0.957 7.906 1.00 0.00 H new ATOM 0 HB ILE A 76 1.848 -3.498 7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.331 -4.119 8.792 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.893 -4.122 10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.782 -2.515 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.982 -1.414 8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.698 -1.116 9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.190 -3.157 10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.102 -1.933 10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.141 -1.930 9.569 1.00 0.00 H new ATOM 1181 N VAL A 77 2.001 -0.390 6.217 1.00 0.00 N ATOM 1182 CA VAL A 77 2.867 0.017 5.150 1.00 0.00 C ATOM 1183 C VAL A 77 4.291 0.207 5.673 1.00 0.00 C ATOM 1184 O VAL A 77 4.545 1.059 6.538 1.00 0.00 O ATOM 1185 CB VAL A 77 2.353 1.323 4.519 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.195 1.714 3.349 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.910 1.168 4.096 1.00 0.00 C ATOM 0 H VAL A 77 1.838 0.328 6.923 1.00 0.00 H new ATOM 0 HA VAL A 77 2.875 -0.761 4.386 1.00 0.00 H new ATOM 0 HB VAL A 77 2.418 2.113 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.813 2.640 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.224 1.863 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.163 0.925 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.559 2.099 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.830 0.364 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.299 0.929 4.967 1.00 0.00 H new ATOM 1197 N ARG A 78 5.200 -0.584 5.154 1.00 0.00 N ATOM 1198 CA ARG A 78 6.581 -0.588 5.571 1.00 0.00 C ATOM 1199 C ARG A 78 7.489 -0.227 4.385 1.00 0.00 C ATOM 1200 O ARG A 78 7.440 -0.870 3.344 1.00 0.00 O ATOM 1201 CB ARG A 78 6.919 -2.004 6.088 1.00 0.00 C ATOM 1202 CG ARG A 78 8.354 -2.220 6.564 1.00 0.00 C ATOM 1203 CD ARG A 78 8.677 -1.398 7.798 1.00 0.00 C ATOM 1204 NE ARG A 78 7.783 -1.707 8.922 1.00 0.00 N ATOM 1205 CZ ARG A 78 8.002 -1.370 10.193 1.00 0.00 C ATOM 1206 NH1 ARG A 78 9.178 -0.858 10.561 1.00 0.00 N ATOM 1207 NH2 ARG A 78 7.055 -1.587 11.103 1.00 0.00 N ATOM 0 H ARG A 78 4.995 -1.256 4.415 1.00 0.00 H new ATOM 0 HA ARG A 78 6.741 0.148 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.245 -2.238 6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.710 -2.719 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.508 -3.277 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.045 -1.957 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.709 -1.583 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.600 -0.338 7.556 1.00 0.00 H new ATOM 0 HE ARG A 78 6.927 -2.220 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.915 -0.723 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.340 -0.602 11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.169 -2.009 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.216 -1.332 12.077 1.00 0.00 H new ATOM 1221 N ARG A 79 8.284 0.804 4.528 1.00 0.00 N ATOM 1222 CA ARG A 79 9.237 1.163 3.487 1.00 0.00 C ATOM 1223 C ARG A 79 10.431 0.223 3.570 1.00 0.00 C ATOM 1224 O ARG A 79 11.073 0.136 4.618 1.00 0.00 O ATOM 1225 CB ARG A 79 9.715 2.619 3.650 1.00 0.00 C ATOM 1226 CG ARG A 79 10.821 3.013 2.671 1.00 0.00 C ATOM 1227 CD ARG A 79 11.350 4.414 2.934 1.00 0.00 C ATOM 1228 NE ARG A 79 12.505 4.743 2.072 1.00 0.00 N ATOM 1229 CZ ARG A 79 13.402 5.709 2.321 1.00 0.00 C ATOM 1230 NH1 ARG A 79 13.237 6.511 3.367 1.00 0.00 N ATOM 1231 NH2 ARG A 79 14.456 5.885 1.514 1.00 0.00 N ATOM 0 H ARG A 79 8.297 1.412 5.347 1.00 0.00 H new ATOM 0 HA ARG A 79 8.749 1.074 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.866 3.289 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.075 2.763 4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.640 2.298 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.439 2.956 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.554 5.139 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.643 4.500 3.980 1.00 0.00 H new ATOM 0 HE ARG A 79 12.630 4.193 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.430 6.392 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.918 7.246 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.582 5.282 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.132 6.622 1.712 1.00 0.00 H new ATOM 1245 N ILE A 80 10.719 -0.489 2.509 1.00 0.00 N ATOM 1246 CA ILE A 80 11.857 -1.371 2.517 1.00 0.00 C ATOM 1247 C ILE A 80 12.815 -0.986 1.407 1.00 0.00 C ATOM 1248 O ILE A 80 12.398 -0.470 0.380 1.00 0.00 O ATOM 1249 CB ILE A 80 11.475 -2.903 2.464 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.758 -3.331 1.172 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.690 -3.336 3.686 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.716 -3.727 0.068 1.00 0.00 C ATOM 0 H ILE A 80 10.188 -0.476 1.639 1.00 0.00 H new ATOM 0 HA ILE A 80 12.356 -1.242 3.478 1.00 0.00 H new ATOM 0 HB ILE A 80 12.431 -3.426 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.097 -4.170 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.129 -2.512 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.449 -4.396 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.288 -3.166 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.768 -2.758 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.151 -4.019 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.360 -2.882 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.328 -4.566 0.401 1.00 0.00 H new ATOM 1264 N PRO A 81 14.101 -1.154 1.611 1.00 0.00 N ATOM 1265 CA PRO A 81 15.096 -0.855 0.593 1.00 0.00 C ATOM 1266 C PRO A 81 15.076 -1.902 -0.517 1.00 0.00 C ATOM 1267 O PRO A 81 14.985 -3.105 -0.251 1.00 0.00 O ATOM 1268 CB PRO A 81 16.408 -0.942 1.364 1.00 0.00 C ATOM 1269 CG PRO A 81 16.120 -1.933 2.432 1.00 0.00 C ATOM 1270 CD PRO A 81 14.717 -1.661 2.853 1.00 0.00 C ATOM 0 HA PRO A 81 14.930 0.107 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.228 -1.269 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.694 0.024 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.229 -2.953 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.810 -1.822 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.220 -2.562 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.670 -0.927 3.658 1.00 0.00 H new