USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 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 11 LYS NZ :NH3+ 136:sc= 1.19 (180deg=1.05) USER MOD Set 1.2: A 47 TYR OH : rot 0:sc= 0.0259 USER MOD Single : A 7 SER OG : rot 31:sc= 0.26 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 21 SER OG : rot -116:sc= 1.28 USER MOD Single : A 25 SER OG : rot 180:sc= -0.011 USER MOD Single : A 27 GLN : amide:sc= -2.47! C(o=-2.5!,f=-7.1!) USER MOD Single : A 28 GLN : amide:sc= 0.0123 X(o=0.012,f=-0.12) USER MOD Single : A 31 ASN : amide:sc= 1.14 K(o=1.1,f=-0.021) USER MOD Single : A 36 ASN : amide:sc= -2.84! X(o=-2.8!,f=-3.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0753) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 6.109 4.716 0.480 1.00 0.00 N ATOM 106 CA SER A 7 6.695 4.059 1.639 1.00 0.00 C ATOM 107 C SER A 7 7.221 2.663 1.306 1.00 0.00 C ATOM 108 O SER A 7 6.566 1.879 0.611 1.00 0.00 O ATOM 109 CB SER A 7 5.651 3.976 2.749 1.00 0.00 C ATOM 110 OG SER A 7 5.028 5.235 2.949 1.00 0.00 O ATOM 0 HA SER A 7 7.548 4.652 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.899 3.230 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.123 3.648 3.675 1.00 0.00 H new ATOM 0 HG SER A 7 4.998 5.723 2.100 1.00 0.00 H new ATOM 116 N GLU A 8 8.409 2.360 1.823 1.00 0.00 N ATOM 117 CA GLU A 8 9.037 1.060 1.622 1.00 0.00 C ATOM 118 C GLU A 8 8.213 -0.046 2.262 1.00 0.00 C ATOM 119 O GLU A 8 8.268 -1.197 1.835 1.00 0.00 O ATOM 120 CB GLU A 8 10.459 1.033 2.198 1.00 0.00 C ATOM 121 CG GLU A 8 11.502 1.735 1.338 1.00 0.00 C ATOM 122 CD GLU A 8 11.227 3.210 1.169 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.284 3.943 2.177 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.934 3.631 0.033 1.00 0.00 O ATOM 0 H GLU A 8 8.959 3.005 2.390 1.00 0.00 H new ATOM 0 HA GLU A 8 9.090 0.891 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.447 1.498 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.761 -0.005 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.486 1.603 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.535 1.262 0.357 1.00 0.00 H new ATOM 131 N GLU A 9 7.453 0.310 3.290 1.00 0.00 N ATOM 132 CA GLU A 9 6.621 -0.658 3.987 1.00 0.00 C ATOM 133 C GLU A 9 5.588 -1.263 3.039 1.00 0.00 C ATOM 134 O GLU A 9 5.310 -2.462 3.094 1.00 0.00 O ATOM 135 CB GLU A 9 5.916 -0.002 5.171 1.00 0.00 C ATOM 136 CG GLU A 9 5.231 -1.004 6.082 1.00 0.00 C ATOM 137 CD GLU A 9 4.499 -0.354 7.231 1.00 0.00 C ATOM 138 OE1 GLU A 9 5.167 0.129 8.168 1.00 0.00 O ATOM 139 OE2 GLU A 9 3.251 -0.354 7.218 1.00 0.00 O ATOM 0 H GLU A 9 7.397 1.260 3.658 1.00 0.00 H new ATOM 0 HA GLU A 9 7.266 -1.455 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.643 0.569 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.177 0.707 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.526 -1.595 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.975 -1.695 6.477 1.00 0.00 H new ATOM 146 N PHE A 10 5.037 -0.430 2.161 1.00 0.00 N ATOM 147 CA PHE A 10 4.059 -0.884 1.181 1.00 0.00 C ATOM 148 C PHE A 10 4.720 -1.853 0.212 1.00 0.00 C ATOM 149 O PHE A 10 4.154 -2.884 -0.138 1.00 0.00 O ATOM 150 CB PHE A 10 3.476 0.309 0.412 1.00 0.00 C ATOM 151 CG PHE A 10 2.252 -0.028 -0.396 1.00 0.00 C ATOM 152 CD1 PHE A 10 2.367 -0.536 -1.681 1.00 0.00 C ATOM 153 CD2 PHE A 10 0.984 0.168 0.133 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.241 -0.844 -2.422 1.00 0.00 C ATOM 155 CE2 PHE A 10 -0.144 -0.139 -0.604 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.016 -0.646 -1.883 1.00 0.00 C ATOM 0 H PHE A 10 5.253 0.566 2.109 1.00 0.00 H new ATOM 0 HA PHE A 10 3.246 -1.390 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.226 1.099 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.241 0.709 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.347 -0.693 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.878 0.565 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.344 -1.239 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.125 0.017 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.896 -0.887 -2.460 1.00 0.00 H new ATOM 166 N LYS A 11 5.934 -1.508 -0.198 1.00 0.00 N ATOM 167 CA LYS A 11 6.715 -2.339 -1.103 1.00 0.00 C ATOM 168 C LYS A 11 7.036 -3.680 -0.444 1.00 0.00 C ATOM 169 O LYS A 11 6.883 -4.736 -1.051 1.00 0.00 O ATOM 170 CB LYS A 11 8.013 -1.617 -1.477 1.00 0.00 C ATOM 171 CG LYS A 11 7.803 -0.189 -1.962 1.00 0.00 C ATOM 172 CD LYS A 11 9.123 0.558 -2.058 1.00 0.00 C ATOM 173 CE LYS A 11 8.924 2.012 -2.443 1.00 0.00 C ATOM 174 NZ LYS A 11 10.181 2.801 -2.305 1.00 0.00 N ATOM 0 H LYS A 11 6.403 -0.648 0.086 1.00 0.00 H new ATOM 0 HA LYS A 11 6.133 -2.523 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.673 -1.603 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.522 -2.184 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.317 -0.201 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.134 0.335 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.641 0.504 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.763 0.072 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.570 2.070 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.149 2.451 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.299 3.415 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.131 3.386 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.992 2.153 -2.236 1.00 0.00 H new ATOM 188 N ARG A 12 7.471 -3.616 0.813 1.00 0.00 N ATOM 189 CA ARG A 12 7.786 -4.806 1.599 1.00 0.00 C ATOM 190 C ARG A 12 6.572 -5.723 1.702 1.00 0.00 C ATOM 191 O ARG A 12 6.669 -6.931 1.481 1.00 0.00 O ATOM 192 CB ARG A 12 8.245 -4.396 3.003 1.00 0.00 C ATOM 193 CG ARG A 12 8.584 -5.566 3.914 1.00 0.00 C ATOM 194 CD ARG A 12 8.809 -5.103 5.343 1.00 0.00 C ATOM 195 NE ARG A 12 9.167 -6.208 6.233 1.00 0.00 N ATOM 196 CZ ARG A 12 8.612 -6.409 7.433 1.00 0.00 C ATOM 197 NH1 ARG A 12 7.592 -5.661 7.832 1.00 0.00 N ATOM 198 NH2 ARG A 12 9.051 -7.377 8.223 1.00 0.00 N ATOM 0 H ARG A 12 7.615 -2.739 1.314 1.00 0.00 H new ATOM 0 HA ARG A 12 8.588 -5.347 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.121 -3.754 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.460 -3.801 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.775 -6.296 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.479 -6.069 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.601 -4.354 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.905 -4.619 5.713 1.00 0.00 H new ATOM 0 HE ARG A 12 9.882 -6.864 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.228 -4.929 7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.172 -5.818 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.818 -7.976 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.622 -7.523 9.137 1.00 0.00 H new ATOM 212 N ASP A 13 5.427 -5.134 2.030 1.00 0.00 N ATOM 213 CA ASP A 13 4.186 -5.887 2.173 1.00 0.00 C ATOM 214 C ASP A 13 3.760 -6.479 0.836 1.00 0.00 C ATOM 215 O ASP A 13 3.245 -7.591 0.780 1.00 0.00 O ATOM 216 CB ASP A 13 3.081 -4.989 2.729 1.00 0.00 C ATOM 217 CG ASP A 13 1.775 -5.731 2.939 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.658 -6.464 3.946 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.851 -5.563 2.117 1.00 0.00 O ATOM 0 H ASP A 13 5.333 -4.133 2.202 1.00 0.00 H new ATOM 0 HA ASP A 13 4.360 -6.704 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.408 -4.562 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.916 -4.157 2.045 1.00 0.00 H new ATOM 224 N ALA A 14 4.002 -5.739 -0.241 1.00 0.00 N ATOM 225 CA ALA A 14 3.677 -6.200 -1.585 1.00 0.00 C ATOM 226 C ALA A 14 4.476 -7.452 -1.945 1.00 0.00 C ATOM 227 O ALA A 14 3.960 -8.356 -2.605 1.00 0.00 O ATOM 228 CB ALA A 14 3.933 -5.091 -2.597 1.00 0.00 C ATOM 0 H ALA A 14 4.425 -4.811 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 14 2.619 -6.461 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.687 -5.447 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.312 -4.228 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.984 -4.803 -2.563 1.00 0.00 H new ATOM 234 N VAL A 15 5.728 -7.513 -1.499 1.00 0.00 N ATOM 235 CA VAL A 15 6.552 -8.696 -1.718 1.00 0.00 C ATOM 236 C VAL A 15 6.031 -9.862 -0.877 1.00 0.00 C ATOM 237 O VAL A 15 6.089 -11.021 -1.285 1.00 0.00 O ATOM 238 CB VAL A 15 8.041 -8.439 -1.387 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.902 -9.629 -1.784 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.536 -7.174 -2.070 1.00 0.00 C ATOM 0 H VAL A 15 6.191 -6.762 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 15 6.486 -8.945 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 15 8.124 -8.303 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.944 -9.422 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.572 -10.514 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.808 -9.805 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.585 -7.014 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.429 -7.278 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.948 -6.322 -1.728 1.00 0.00 H new ATOM 250 N ALA A 16 5.502 -9.542 0.299 1.00 0.00 N ATOM 251 CA ALA A 16 4.903 -10.547 1.173 1.00 0.00 C ATOM 252 C ALA A 16 3.565 -11.020 0.613 1.00 0.00 C ATOM 253 O ALA A 16 3.154 -12.161 0.828 1.00 0.00 O ATOM 254 CB ALA A 16 4.731 -9.994 2.577 1.00 0.00 C ATOM 0 H ALA A 16 5.475 -8.592 0.671 1.00 0.00 H new ATOM 0 HA ALA A 16 5.574 -11.405 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.283 -10.755 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.704 -9.710 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.082 -9.119 2.546 1.00 0.00 H new ATOM 260 N LEU A 17 2.889 -10.135 -0.113 1.00 0.00 N ATOM 261 CA LEU A 17 1.633 -10.470 -0.775 1.00 0.00 C ATOM 262 C LEU A 17 1.854 -11.560 -1.817 1.00 0.00 C ATOM 263 O LEU A 17 0.963 -12.363 -2.087 1.00 0.00 O ATOM 264 CB LEU A 17 1.015 -9.225 -1.421 1.00 0.00 C ATOM 265 CG LEU A 17 0.500 -8.170 -0.441 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.047 -6.971 -1.195 1.00 0.00 C ATOM 267 CD2 LEU A 17 -0.569 -8.764 0.464 1.00 0.00 C ATOM 0 H LEU A 17 3.193 -9.172 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 17 0.938 -10.847 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.761 -8.763 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.189 -9.539 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 17 1.331 -7.837 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.410 -6.229 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.743 -6.533 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.868 -7.289 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.925 -8.001 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.401 -9.121 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.147 -9.596 1.028 1.00 0.00 H new ATOM 279 N TYR A 18 3.059 -11.600 -2.374 1.00 0.00 N ATOM 280 CA TYR A 18 3.429 -12.633 -3.333 1.00 0.00 C ATOM 281 C TYR A 18 3.392 -14.011 -2.668 1.00 0.00 C ATOM 282 O TYR A 18 3.105 -15.018 -3.317 1.00 0.00 O ATOM 283 CB TYR A 18 4.823 -12.348 -3.895 1.00 0.00 C ATOM 284 CG TYR A 18 5.258 -13.295 -4.998 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.877 -13.076 -6.317 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.052 -14.403 -4.722 1.00 0.00 C ATOM 287 CE1 TYR A 18 5.273 -13.931 -7.329 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.453 -15.265 -5.730 1.00 0.00 C ATOM 289 CZ TYR A 18 6.060 -15.023 -7.031 1.00 0.00 C ATOM 290 OH TYR A 18 6.455 -15.878 -8.037 1.00 0.00 O ATOM 0 H TYR A 18 3.799 -10.926 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 18 2.712 -12.627 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.846 -11.328 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.547 -12.399 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.260 -12.222 -6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.361 -14.595 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.967 -13.744 -8.348 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.069 -16.121 -5.499 1.00 0.00 H new ATOM 0 HH TYR A 18 7.006 -16.595 -7.659 1.00 0.00 H new ATOM 300 N GLU A 19 3.682 -14.046 -1.369 1.00 0.00 N ATOM 301 CA GLU A 19 3.617 -15.286 -0.600 1.00 0.00 C ATOM 302 C GLU A 19 2.175 -15.617 -0.212 1.00 0.00 C ATOM 303 O GLU A 19 1.865 -16.750 0.139 1.00 0.00 O ATOM 304 CB GLU A 19 4.492 -15.207 0.655 1.00 0.00 C ATOM 305 CG GLU A 19 5.971 -15.014 0.360 1.00 0.00 C ATOM 306 CD GLU A 19 6.847 -15.322 1.558 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.105 -14.408 2.371 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.277 -16.487 1.697 1.00 0.00 O ATOM 0 H GLU A 19 3.964 -13.229 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 19 3.998 -16.084 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.145 -14.383 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.363 -16.121 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.259 -15.657 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.144 -13.986 0.043 1.00 0.00 H new ATOM 315 N ASN A 20 1.301 -14.617 -0.278 1.00 0.00 N ATOM 316 CA ASN A 20 -0.111 -14.792 0.074 1.00 0.00 C ATOM 317 C ASN A 20 -0.946 -15.148 -1.152 1.00 0.00 C ATOM 318 O ASN A 20 -2.176 -15.099 -1.117 1.00 0.00 O ATOM 319 CB ASN A 20 -0.673 -13.516 0.709 1.00 0.00 C ATOM 320 CG ASN A 20 -0.299 -13.361 2.170 1.00 0.00 C ATOM 321 OD1 ASN A 20 -1.012 -13.832 3.055 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.813 -12.695 2.434 1.00 0.00 N ATOM 0 H ASN A 20 1.544 -13.671 -0.573 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.167 -15.611 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.310 -12.651 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.759 -13.520 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.107 -12.556 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.376 -12.320 1.671 1.00 0.00 H new ATOM 329 N SER A 21 -0.269 -15.536 -2.222 1.00 0.00 N ATOM 330 CA SER A 21 -0.922 -15.832 -3.493 1.00 0.00 C ATOM 331 C SER A 21 -1.759 -17.103 -3.423 1.00 0.00 C ATOM 332 O SER A 21 -2.567 -17.375 -4.312 1.00 0.00 O ATOM 333 CB SER A 21 0.122 -15.951 -4.591 1.00 0.00 C ATOM 334 OG SER A 21 1.233 -16.712 -4.146 1.00 0.00 O ATOM 0 H SER A 21 0.744 -15.655 -2.237 1.00 0.00 H new ATOM 0 HA SER A 21 -1.600 -15.009 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.319 -16.422 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.453 -14.958 -4.894 1.00 0.00 H new ATOM 0 HG SER A 21 2.034 -16.148 -4.139 1.00 0.00 H new ATOM 340 N ASP A 22 -1.548 -17.881 -2.371 1.00 0.00 N ATOM 341 CA ASP A 22 -2.323 -19.104 -2.139 1.00 0.00 C ATOM 342 C ASP A 22 -3.821 -18.830 -2.175 1.00 0.00 C ATOM 343 O ASP A 22 -4.609 -19.690 -2.576 1.00 0.00 O ATOM 344 CB ASP A 22 -1.964 -19.740 -0.793 1.00 0.00 C ATOM 345 CG ASP A 22 -0.560 -20.298 -0.766 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.354 -21.426 -1.267 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.341 -19.618 -0.234 1.00 0.00 O ATOM 0 H ASP A 22 -0.844 -17.690 -1.658 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.069 -19.795 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.069 -18.995 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.672 -20.539 -0.573 1.00 0.00 H new ATOM 352 N GLY A 23 -4.202 -17.629 -1.770 1.00 0.00 N ATOM 353 CA GLY A 23 -5.604 -17.265 -1.731 1.00 0.00 C ATOM 354 C GLY A 23 -6.009 -16.341 -2.866 1.00 0.00 C ATOM 355 O GLY A 23 -7.198 -16.137 -3.109 1.00 0.00 O ATOM 0 H GLY A 23 -3.562 -16.895 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.210 -18.170 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.821 -16.780 -0.780 1.00 0.00 H new ATOM 359 N ALA A 24 -5.027 -15.796 -3.575 1.00 0.00 N ATOM 360 CA ALA A 24 -5.296 -14.828 -4.627 1.00 0.00 C ATOM 361 C ALA A 24 -4.142 -14.776 -5.615 1.00 0.00 C ATOM 362 O ALA A 24 -2.985 -14.631 -5.226 1.00 0.00 O ATOM 363 CB ALA A 24 -5.542 -13.450 -4.027 1.00 0.00 C ATOM 0 H ALA A 24 -4.039 -16.009 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.192 -15.141 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.742 -12.736 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.400 -13.493 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.661 -13.133 -3.469 1.00 0.00 H new ATOM 369 N SER A 25 -4.467 -14.902 -6.892 1.00 0.00 N ATOM 370 CA SER A 25 -3.467 -14.871 -7.949 1.00 0.00 C ATOM 371 C SER A 25 -2.754 -13.517 -7.986 1.00 0.00 C ATOM 372 O SER A 25 -3.276 -12.514 -7.491 1.00 0.00 O ATOM 373 CB SER A 25 -4.132 -15.154 -9.301 1.00 0.00 C ATOM 374 OG SER A 25 -3.181 -15.174 -10.351 1.00 0.00 O ATOM 0 H SER A 25 -5.423 -15.028 -7.224 1.00 0.00 H new ATOM 0 HA SER A 25 -2.723 -15.641 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.651 -16.112 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.885 -14.392 -9.504 1.00 0.00 H new ATOM 0 HG SER A 25 -3.635 -15.358 -11.200 1.00 0.00 H new ATOM 380 N LEU A 26 -1.568 -13.498 -8.587 1.00 0.00 N ATOM 381 CA LEU A 26 -0.766 -12.282 -8.703 1.00 0.00 C ATOM 382 C LEU A 26 -1.564 -11.185 -9.408 1.00 0.00 C ATOM 383 O LEU A 26 -1.468 -10.008 -9.057 1.00 0.00 O ATOM 384 CB LEU A 26 0.531 -12.601 -9.466 1.00 0.00 C ATOM 385 CG LEU A 26 1.665 -11.569 -9.342 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.999 -12.208 -9.701 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.421 -10.363 -10.236 1.00 0.00 C ATOM 0 H LEU A 26 -1.136 -14.321 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.508 -11.917 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.905 -13.564 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.287 -12.717 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 26 1.689 -11.228 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.794 -11.467 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.198 -13.039 -9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.962 -12.576 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.242 -9.654 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.361 -10.687 -11.275 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.485 -9.883 -9.951 1.00 0.00 H new ATOM 399 N GLN A 27 -2.375 -11.585 -10.385 1.00 0.00 N ATOM 400 CA GLN A 27 -3.216 -10.644 -11.116 1.00 0.00 C ATOM 401 C GLN A 27 -4.225 -9.998 -10.170 1.00 0.00 C ATOM 402 O GLN A 27 -4.541 -8.813 -10.290 1.00 0.00 O ATOM 403 CB GLN A 27 -3.952 -11.357 -12.257 1.00 0.00 C ATOM 404 CG GLN A 27 -4.561 -10.411 -13.283 1.00 0.00 C ATOM 405 CD GLN A 27 -3.504 -9.619 -14.025 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.383 -10.087 -14.203 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.855 -8.426 -14.471 1.00 0.00 N ATOM 0 H GLN A 27 -2.467 -12.555 -10.688 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.579 -9.869 -11.541 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.256 -12.027 -12.763 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.742 -11.978 -11.835 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.153 -10.984 -13.997 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.243 -9.724 -12.782 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.797 -8.075 -14.301 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.184 -7.856 -14.985 1.00 0.00 H new ATOM 416 N GLN A 28 -4.706 -10.781 -9.214 1.00 0.00 N ATOM 417 CA GLN A 28 -5.664 -10.294 -8.235 1.00 0.00 C ATOM 418 C GLN A 28 -4.971 -9.366 -7.242 1.00 0.00 C ATOM 419 O GLN A 28 -5.538 -8.353 -6.841 1.00 0.00 O ATOM 420 CB GLN A 28 -6.323 -11.465 -7.499 1.00 0.00 C ATOM 421 CG GLN A 28 -7.429 -11.050 -6.541 1.00 0.00 C ATOM 422 CD GLN A 28 -8.567 -10.329 -7.239 1.00 0.00 C ATOM 423 OE1 GLN A 28 -9.506 -10.958 -7.734 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.501 -9.008 -7.272 1.00 0.00 N ATOM 0 H GLN A 28 -4.446 -11.760 -9.097 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.441 -9.735 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.734 -12.158 -8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.559 -12.007 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.819 -11.935 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.012 -10.402 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.707 -8.526 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.244 -8.471 -7.719 1.00 0.00 H new ATOM 433 N ILE A 29 -3.743 -9.718 -6.865 1.00 0.00 N ATOM 434 CA ILE A 29 -2.936 -8.891 -5.969 1.00 0.00 C ATOM 435 C ILE A 29 -2.770 -7.487 -6.548 1.00 0.00 C ATOM 436 O ILE A 29 -3.037 -6.489 -5.875 1.00 0.00 O ATOM 437 CB ILE A 29 -1.535 -9.500 -5.736 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.642 -10.918 -5.158 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.711 -8.611 -4.812 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.207 -10.972 -3.757 1.00 0.00 C ATOM 0 H ILE A 29 -3.283 -10.576 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.462 -8.845 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.030 -9.562 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.270 -11.520 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.652 -11.374 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.272 -9.056 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.597 -7.625 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.218 -8.515 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.250 -12.008 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.568 -10.399 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.211 -10.548 -3.753 1.00 0.00 H new ATOM 452 N ALA A 30 -2.350 -7.426 -7.810 1.00 0.00 N ATOM 453 CA ALA A 30 -2.148 -6.155 -8.495 1.00 0.00 C ATOM 454 C ALA A 30 -3.451 -5.373 -8.613 1.00 0.00 C ATOM 455 O ALA A 30 -3.476 -4.161 -8.414 1.00 0.00 O ATOM 456 CB ALA A 30 -1.544 -6.388 -9.871 1.00 0.00 C ATOM 0 H ALA A 30 -2.143 -8.247 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.455 -5.560 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.399 -5.431 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.583 -6.892 -9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.217 -7.008 -10.463 1.00 0.00 H new ATOM 462 N ASN A 31 -4.537 -6.072 -8.925 1.00 0.00 N ATOM 463 CA ASN A 31 -5.842 -5.441 -9.057 1.00 0.00 C ATOM 464 C ASN A 31 -6.351 -4.936 -7.711 1.00 0.00 C ATOM 465 O ASN A 31 -6.979 -3.882 -7.632 1.00 0.00 O ATOM 466 CB ASN A 31 -6.848 -6.420 -9.651 1.00 0.00 C ATOM 467 CG ASN A 31 -6.911 -6.350 -11.165 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.666 -5.555 -11.726 1.00 0.00 O ATOM 469 ND2 ASN A 31 -6.133 -7.184 -11.839 1.00 0.00 N ATOM 0 H ASN A 31 -4.537 -7.078 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.731 -4.588 -9.726 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.584 -7.434 -9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.836 -6.213 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.146 -7.182 -12.859 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.521 -7.828 -11.338 1.00 0.00 H new ATOM 476 N ASP A 32 -6.073 -5.690 -6.657 1.00 0.00 N ATOM 477 CA ASP A 32 -6.499 -5.315 -5.313 1.00 0.00 C ATOM 478 C ASP A 32 -5.819 -4.023 -4.880 1.00 0.00 C ATOM 479 O ASP A 32 -6.438 -3.157 -4.265 1.00 0.00 O ATOM 480 CB ASP A 32 -6.179 -6.436 -4.323 1.00 0.00 C ATOM 481 CG ASP A 32 -6.649 -6.118 -2.919 1.00 0.00 C ATOM 482 OD1 ASP A 32 -7.829 -6.382 -2.609 1.00 0.00 O ATOM 483 OD2 ASP A 32 -5.840 -5.607 -2.118 1.00 0.00 O ATOM 0 H ASP A 32 -5.554 -6.567 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.577 -5.154 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.649 -7.360 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.103 -6.611 -4.312 1.00 0.00 H new ATOM 488 N LEU A 33 -4.545 -3.898 -5.219 1.00 0.00 N ATOM 489 CA LEU A 33 -3.786 -2.702 -4.908 1.00 0.00 C ATOM 490 C LEU A 33 -4.157 -1.563 -5.850 1.00 0.00 C ATOM 491 O LEU A 33 -4.250 -0.404 -5.439 1.00 0.00 O ATOM 492 CB LEU A 33 -2.289 -2.999 -4.997 1.00 0.00 C ATOM 493 CG LEU A 33 -1.776 -4.050 -4.012 1.00 0.00 C ATOM 494 CD1 LEU A 33 -0.279 -4.250 -4.184 1.00 0.00 C ATOM 495 CD2 LEU A 33 -2.099 -3.650 -2.582 1.00 0.00 C ATOM 0 H LEU A 33 -4.015 -4.616 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.028 -2.392 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.060 -3.330 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.740 -2.072 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.279 -4.993 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.071 -5.001 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.071 -4.584 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.238 -3.308 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.725 -4.412 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.625 -2.695 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.179 -3.556 -2.465 1.00 0.00 H new ATOM 507 N GLY A 34 -4.391 -1.904 -7.107 1.00 0.00 N ATOM 508 CA GLY A 34 -4.723 -0.904 -8.104 1.00 0.00 C ATOM 509 C GLY A 34 -3.517 -0.508 -8.931 1.00 0.00 C ATOM 510 O GLY A 34 -3.454 0.598 -9.470 1.00 0.00 O ATOM 0 H GLY A 34 -4.357 -2.861 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.502 -1.291 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.131 -0.021 -7.611 1.00 0.00 H new ATOM 514 N ILE A 35 -2.559 -1.416 -9.028 1.00 0.00 N ATOM 515 CA ILE A 35 -1.327 -1.158 -9.749 1.00 0.00 C ATOM 516 C ILE A 35 -1.123 -2.186 -10.852 1.00 0.00 C ATOM 517 O ILE A 35 -1.916 -3.115 -11.006 1.00 0.00 O ATOM 518 CB ILE A 35 -0.107 -1.186 -8.805 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.004 -2.549 -8.106 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.199 -0.063 -7.786 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.237 -2.698 -7.237 1.00 0.00 C ATOM 0 H ILE A 35 -2.614 -2.346 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.413 -0.164 -10.187 1.00 0.00 H new ATOM 0 HB ILE A 35 0.794 -1.035 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.882 -2.703 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.008 -3.334 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.669 -0.097 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.225 0.896 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.107 -0.181 -7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.242 -3.687 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.131 -2.577 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.226 -1.937 -6.457 1.00 0.00 H new ATOM 533 N ASN A 36 -0.070 -2.003 -11.631 1.00 0.00 N ATOM 534 CA ASN A 36 0.300 -2.958 -12.647 1.00 0.00 C ATOM 535 C ASN A 36 1.051 -4.126 -12.018 1.00 0.00 C ATOM 536 O ASN A 36 1.818 -3.938 -11.069 1.00 0.00 O ATOM 537 CB ASN A 36 1.179 -2.267 -13.679 1.00 0.00 C ATOM 538 CG ASN A 36 1.643 -3.182 -14.785 1.00 0.00 C ATOM 539 OD1 ASN A 36 0.982 -4.160 -15.131 1.00 0.00 O ATOM 540 ND2 ASN A 36 2.783 -2.856 -15.351 1.00 0.00 N ATOM 0 H ASN A 36 0.545 -1.192 -11.573 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.597 -3.344 -13.131 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.627 -1.434 -14.115 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.050 -1.845 -13.178 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.155 -3.424 -16.112 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.296 -2.035 -15.029 1.00 0.00 H new ATOM 547 N ARG A 37 0.845 -5.322 -12.549 1.00 0.00 N ATOM 548 CA ARG A 37 1.491 -6.514 -12.031 1.00 0.00 C ATOM 549 C ARG A 37 2.998 -6.458 -12.241 1.00 0.00 C ATOM 550 O ARG A 37 3.767 -6.997 -11.446 1.00 0.00 O ATOM 551 CB ARG A 37 0.902 -7.754 -12.689 1.00 0.00 C ATOM 552 CG ARG A 37 0.867 -7.713 -14.208 1.00 0.00 C ATOM 553 CD ARG A 37 0.416 -9.050 -14.769 1.00 0.00 C ATOM 554 NE ARG A 37 0.101 -8.982 -16.191 1.00 0.00 N ATOM 555 CZ ARG A 37 0.450 -9.921 -17.072 1.00 0.00 C ATOM 556 NH1 ARG A 37 1.173 -10.964 -16.682 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.067 -9.829 -18.339 1.00 0.00 N ATOM 0 H ARG A 37 0.230 -5.491 -13.345 1.00 0.00 H new ATOM 0 HA ARG A 37 1.308 -6.564 -10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.480 -8.624 -12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.114 -7.897 -12.320 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.190 -6.926 -14.540 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.856 -7.466 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.200 -9.790 -14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.462 -9.392 -14.222 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.415 -8.171 -16.531 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.462 -11.048 -15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.439 -11.681 -17.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.498 -9.037 -18.645 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.337 -10.551 -19.007 1.00 0.00 H new ATOM 571 N VAL A 38 3.410 -5.798 -13.310 1.00 0.00 N ATOM 572 CA VAL A 38 4.825 -5.597 -13.580 1.00 0.00 C ATOM 573 C VAL A 38 5.434 -4.669 -12.529 1.00 0.00 C ATOM 574 O VAL A 38 6.513 -4.933 -12.011 1.00 0.00 O ATOM 575 CB VAL A 38 5.062 -5.026 -14.997 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.550 -4.841 -15.270 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.439 -5.938 -16.050 1.00 0.00 C ATOM 0 H VAL A 38 2.785 -5.392 -14.006 1.00 0.00 H new ATOM 0 HA VAL A 38 5.314 -6.570 -13.530 1.00 0.00 H new ATOM 0 HB VAL A 38 4.583 -4.049 -15.052 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.689 -4.438 -16.273 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.971 -4.149 -14.540 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.057 -5.803 -15.192 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.615 -5.522 -17.042 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.890 -6.928 -15.987 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.366 -6.017 -15.874 1.00 0.00 H new ATOM 587 N THR A 39 4.720 -3.599 -12.193 1.00 0.00 N ATOM 588 CA THR A 39 5.178 -2.678 -11.158 1.00 0.00 C ATOM 589 C THR A 39 5.292 -3.397 -9.815 1.00 0.00 C ATOM 590 O THR A 39 6.217 -3.147 -9.042 1.00 0.00 O ATOM 591 CB THR A 39 4.214 -1.484 -11.024 1.00 0.00 C ATOM 592 OG1 THR A 39 3.877 -0.994 -12.328 1.00 0.00 O ATOM 593 CG2 THR A 39 4.835 -0.362 -10.203 1.00 0.00 C ATOM 0 H THR A 39 3.828 -3.349 -12.619 1.00 0.00 H new ATOM 0 HA THR A 39 6.160 -2.307 -11.450 1.00 0.00 H new ATOM 0 HB THR A 39 3.316 -1.825 -10.509 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.262 -0.235 -12.244 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.130 0.466 -10.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.072 -0.730 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.748 -0.018 -10.689 1.00 0.00 H new ATOM 601 N LEU A 40 4.352 -4.296 -9.555 1.00 0.00 N ATOM 602 CA LEU A 40 4.395 -5.131 -8.364 1.00 0.00 C ATOM 603 C LEU A 40 5.639 -6.015 -8.382 1.00 0.00 C ATOM 604 O LEU A 40 6.355 -6.129 -7.385 1.00 0.00 O ATOM 605 CB LEU A 40 3.136 -5.998 -8.304 1.00 0.00 C ATOM 606 CG LEU A 40 3.036 -6.941 -7.105 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.889 -6.154 -5.812 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.874 -7.905 -7.285 1.00 0.00 C ATOM 0 H LEU A 40 3.546 -4.465 -10.157 1.00 0.00 H new ATOM 0 HA LEU A 40 4.437 -4.493 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.265 -5.342 -8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.083 -6.593 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 40 3.957 -7.520 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.820 -6.845 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.756 -5.507 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.986 -5.545 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.816 -8.570 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.945 -7.342 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.027 -8.495 -8.189 1.00 0.00 H new ATOM 620 N LYS A 41 5.890 -6.624 -9.534 1.00 0.00 N ATOM 621 CA LYS A 41 7.043 -7.494 -9.726 1.00 0.00 C ATOM 622 C LYS A 41 8.343 -6.753 -9.443 1.00 0.00 C ATOM 623 O LYS A 41 9.240 -7.282 -8.797 1.00 0.00 O ATOM 624 CB LYS A 41 7.065 -8.012 -11.158 1.00 0.00 C ATOM 625 CG LYS A 41 8.194 -8.989 -11.426 1.00 0.00 C ATOM 626 CD LYS A 41 8.229 -9.431 -12.879 1.00 0.00 C ATOM 627 CE LYS A 41 9.464 -10.269 -13.169 1.00 0.00 C ATOM 628 NZ LYS A 41 9.501 -10.753 -14.573 1.00 0.00 N ATOM 0 H LYS A 41 5.300 -6.529 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 41 6.957 -8.327 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.114 -8.498 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.155 -7.167 -11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.145 -8.525 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.078 -9.862 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.333 -10.008 -13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.219 -8.556 -13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.357 -9.677 -12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.488 -11.123 -12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.361 -11.319 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.663 -11.340 -14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.505 -9.939 -15.221 1.00 0.00 H new ATOM 642 N ASN A 42 8.418 -5.526 -9.932 1.00 0.00 N ATOM 643 CA ASN A 42 9.612 -4.689 -9.769 1.00 0.00 C ATOM 644 C ASN A 42 10.037 -4.594 -8.308 1.00 0.00 C ATOM 645 O ASN A 42 11.224 -4.717 -7.989 1.00 0.00 O ATOM 646 CB ASN A 42 9.354 -3.280 -10.317 1.00 0.00 C ATOM 647 CG ASN A 42 9.457 -3.196 -11.829 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.221 -4.170 -12.537 1.00 0.00 O ATOM 649 ND2 ASN A 42 9.806 -2.021 -12.336 1.00 0.00 N ATOM 0 H ASN A 42 7.663 -5.078 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 42 10.419 -5.160 -10.331 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.361 -2.954 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.069 -2.588 -9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.886 -1.905 -13.346 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.995 -1.234 -11.716 1.00 0.00 H new ATOM 656 N TRP A 43 9.074 -4.382 -7.420 1.00 0.00 N ATOM 657 CA TRP A 43 9.369 -4.326 -5.990 1.00 0.00 C ATOM 658 C TRP A 43 9.791 -5.700 -5.475 1.00 0.00 C ATOM 659 O TRP A 43 10.746 -5.818 -4.705 1.00 0.00 O ATOM 660 CB TRP A 43 8.164 -3.819 -5.194 1.00 0.00 C ATOM 661 CG TRP A 43 7.782 -2.402 -5.505 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.599 -1.411 -5.972 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.488 -1.813 -5.346 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.887 -0.246 -6.124 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.588 -0.469 -5.748 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.254 -2.296 -4.908 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.497 0.400 -5.725 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.171 -1.435 -4.885 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.298 -0.100 -5.292 1.00 0.00 C ATOM 0 H TRP A 43 8.092 -4.247 -7.659 1.00 0.00 H new ATOM 0 HA TRP A 43 10.192 -3.625 -5.850 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.311 -4.467 -5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.384 -3.900 -4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.650 -1.527 -6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.263 0.640 -6.461 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.146 -3.323 -4.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.594 1.429 -6.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.211 -1.798 -4.548 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.434 0.547 -5.264 1.00 0.00 H new ATOM 680 N ILE A 44 9.084 -6.732 -5.920 1.00 0.00 N ATOM 681 CA ILE A 44 9.365 -8.100 -5.500 1.00 0.00 C ATOM 682 C ILE A 44 10.781 -8.517 -5.900 1.00 0.00 C ATOM 683 O ILE A 44 11.468 -9.216 -5.153 1.00 0.00 O ATOM 684 CB ILE A 44 8.342 -9.089 -6.103 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.921 -8.708 -5.672 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.661 -10.521 -5.688 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.841 -9.527 -6.342 1.00 0.00 C ATOM 0 H ILE A 44 8.307 -6.646 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 44 9.283 -8.129 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 44 8.406 -9.031 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.835 -8.825 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.754 -7.654 -5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.927 -11.198 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.657 -10.789 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.627 -10.601 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.864 -9.200 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.899 -9.392 -7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.981 -10.581 -6.101 1.00 0.00 H new ATOM 699 N ILE A 45 11.214 -8.070 -7.072 1.00 0.00 N ATOM 700 CA ILE A 45 12.551 -8.373 -7.563 1.00 0.00 C ATOM 701 C ILE A 45 13.617 -7.781 -6.644 1.00 0.00 C ATOM 702 O ILE A 45 14.485 -8.501 -6.152 1.00 0.00 O ATOM 703 CB ILE A 45 12.773 -7.840 -8.999 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.787 -8.489 -9.972 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.206 -8.101 -9.451 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.861 -7.925 -11.373 1.00 0.00 C ATOM 0 H ILE A 45 10.656 -7.494 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 45 12.639 -9.459 -7.576 1.00 0.00 H new ATOM 0 HB ILE A 45 12.599 -6.764 -8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.979 -9.561 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.774 -8.360 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.344 -7.720 -10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.898 -7.597 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.402 -9.173 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.134 -8.432 -12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.639 -6.858 -11.348 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.863 -8.078 -11.774 1.00 0.00 H new ATOM 718 N LYS A 46 13.525 -6.480 -6.396 1.00 0.00 N ATOM 719 CA LYS A 46 14.566 -5.766 -5.661 1.00 0.00 C ATOM 720 C LYS A 46 14.521 -6.067 -4.167 1.00 0.00 C ATOM 721 O LYS A 46 15.542 -6.399 -3.559 1.00 0.00 O ATOM 722 CB LYS A 46 14.437 -4.258 -5.880 1.00 0.00 C ATOM 723 CG LYS A 46 15.604 -3.471 -5.302 1.00 0.00 C ATOM 724 CD LYS A 46 15.434 -1.973 -5.492 1.00 0.00 C ATOM 725 CE LYS A 46 16.662 -1.214 -5.012 1.00 0.00 C ATOM 726 NZ LYS A 46 16.901 -1.387 -3.552 1.00 0.00 N ATOM 0 H LYS A 46 12.742 -5.897 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 46 15.524 -6.114 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.364 -4.057 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.510 -3.909 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.699 -3.693 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.530 -3.794 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.258 -1.755 -6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.555 -1.632 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.537 -1.557 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.541 -0.154 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.674 -0.760 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.035 -1.147 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.161 -2.375 -3.357 1.00 0.00 H new ATOM 740 N TYR A 47 13.346 -5.945 -3.574 1.00 0.00 N ATOM 741 CA TYR A 47 13.208 -6.100 -2.134 1.00 0.00 C ATOM 742 C TYR A 47 13.190 -7.577 -1.749 1.00 0.00 C ATOM 743 O TYR A 47 13.417 -7.934 -0.591 1.00 0.00 O ATOM 744 CB TYR A 47 11.946 -5.383 -1.637 1.00 0.00 C ATOM 745 CG TYR A 47 12.000 -3.875 -1.811 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.727 -3.287 -3.040 1.00 0.00 C ATOM 747 CD2 TYR A 47 12.343 -3.043 -0.751 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.791 -1.915 -3.207 1.00 0.00 C ATOM 749 CE2 TYR A 47 12.411 -1.670 -0.913 1.00 0.00 C ATOM 750 CZ TYR A 47 12.135 -1.111 -2.143 1.00 0.00 C ATOM 751 OH TYR A 47 12.203 0.258 -2.310 1.00 0.00 O ATOM 0 H TYR A 47 12.476 -5.740 -4.064 1.00 0.00 H new ATOM 0 HA TYR A 47 14.071 -5.641 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.081 -5.772 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.797 -5.614 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.460 -3.912 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.560 -3.475 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.572 -1.476 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.679 -1.039 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 47 11.980 0.486 -3.237 1.00 0.00 H new ATOM 761 N GLY A 48 12.926 -8.432 -2.730 1.00 0.00 N ATOM 762 CA GLY A 48 12.980 -9.860 -2.507 1.00 0.00 C ATOM 763 C GLY A 48 14.168 -10.518 -3.189 1.00 0.00 C ATOM 764 O GLY A 48 14.093 -11.683 -3.586 1.00 0.00 O ATOM 0 H GLY A 48 12.675 -8.157 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.029 -10.054 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.059 -10.315 -2.872 1.00 0.00 H new ATOM 928 N ALA A 61 18.580 14.569 -3.114 1.00 0.00 N ATOM 929 CA ALA A 61 18.427 14.774 -4.554 1.00 0.00 C ATOM 930 C ALA A 61 17.190 15.599 -4.883 1.00 0.00 C ATOM 931 O ALA A 61 16.967 15.974 -6.034 1.00 0.00 O ATOM 932 CB ALA A 61 18.384 13.435 -5.270 1.00 0.00 C ATOM 0 HA ALA A 61 19.292 15.338 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.270 13.599 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.311 12.892 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 61 17.541 12.852 -4.900 1.00 0.00 H new ATOM 938 N VAL A 62 16.408 15.906 -3.865 1.00 0.00 N ATOM 939 CA VAL A 62 15.186 16.677 -4.048 1.00 0.00 C ATOM 940 C VAL A 62 15.508 18.137 -4.341 1.00 0.00 C ATOM 941 O VAL A 62 14.947 18.738 -5.253 1.00 0.00 O ATOM 942 CB VAL A 62 14.265 16.586 -2.812 1.00 0.00 C ATOM 943 CG1 VAL A 62 13.005 17.419 -3.005 1.00 0.00 C ATOM 944 CG2 VAL A 62 13.905 15.138 -2.525 1.00 0.00 C ATOM 0 H VAL A 62 16.595 15.634 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 62 14.659 16.247 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 62 14.807 16.988 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 62 12.375 17.336 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 62 13.279 18.463 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.458 17.055 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.255 15.091 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.387 14.715 -3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.814 14.568 -2.333 1.00 0.00 H new ATOM 954 N SER A 63 16.435 18.690 -3.575 1.00 0.00 N ATOM 955 CA SER A 63 16.823 20.085 -3.724 1.00 0.00 C ATOM 956 C SER A 63 17.690 20.277 -4.964 1.00 0.00 C ATOM 957 O SER A 63 17.624 21.312 -5.629 1.00 0.00 O ATOM 958 CB SER A 63 17.560 20.559 -2.467 1.00 0.00 C ATOM 959 OG SER A 63 16.752 20.380 -1.315 1.00 0.00 O ATOM 0 H SER A 63 16.936 18.191 -2.839 1.00 0.00 H new ATOM 0 HA SER A 63 15.923 20.687 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.491 20.004 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 63 17.827 21.611 -2.571 1.00 0.00 H new ATOM 0 HG SER A 63 17.240 20.687 -0.522 1.00 0.00 H new ATOM 965 N GLU A 64 18.482 19.263 -5.287 1.00 0.00 N ATOM 966 CA GLU A 64 19.346 19.321 -6.458 1.00 0.00 C ATOM 967 C GLU A 64 18.519 19.240 -7.738 1.00 0.00 C ATOM 968 O GLU A 64 18.871 19.834 -8.760 1.00 0.00 O ATOM 969 CB GLU A 64 20.388 18.196 -6.410 1.00 0.00 C ATOM 970 CG GLU A 64 21.348 18.202 -7.591 1.00 0.00 C ATOM 971 CD GLU A 64 22.450 17.170 -7.465 1.00 0.00 C ATOM 972 OE1 GLU A 64 22.140 15.976 -7.265 1.00 0.00 O ATOM 973 OE2 GLU A 64 23.637 17.547 -7.585 1.00 0.00 O ATOM 0 H GLU A 64 18.544 18.394 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 64 19.873 20.275 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.961 18.282 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.873 17.236 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.788 18.017 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.794 19.192 -7.684 1.00 0.00 H new ATOM 980 N ALA A 65 17.396 18.540 -7.655 1.00 0.00 N ATOM 981 CA ALA A 65 16.508 18.341 -8.799 1.00 0.00 C ATOM 982 C ALA A 65 16.023 19.670 -9.373 1.00 0.00 C ATOM 983 O ALA A 65 15.728 19.766 -10.565 1.00 0.00 O ATOM 984 CB ALA A 65 15.324 17.476 -8.401 1.00 0.00 C ATOM 0 H ALA A 65 17.073 18.094 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 65 17.077 17.832 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.670 17.335 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.682 16.506 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.769 17.965 -7.600 1.00 0.00 H new ATOM 990 N GLU A 66 15.953 20.692 -8.526 1.00 0.00 N ATOM 991 CA GLU A 66 15.535 22.024 -8.957 1.00 0.00 C ATOM 992 C GLU A 66 16.459 22.536 -10.058 1.00 0.00 C ATOM 993 O GLU A 66 16.009 22.987 -11.112 1.00 0.00 O ATOM 994 CB GLU A 66 15.570 22.993 -7.769 1.00 0.00 C ATOM 995 CG GLU A 66 15.057 24.386 -8.097 1.00 0.00 C ATOM 996 CD GLU A 66 13.561 24.420 -8.342 1.00 0.00 C ATOM 997 OE1 GLU A 66 12.803 24.590 -7.361 1.00 0.00 O ATOM 998 OE2 GLU A 66 13.133 24.285 -9.507 1.00 0.00 O ATOM 0 H GLU A 66 16.181 20.624 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 66 14.518 21.962 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 66 14.973 22.578 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.595 23.070 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.301 25.060 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.574 24.759 -8.981 1.00 0.00 H new ATOM 1005 N GLN A 67 17.754 22.428 -9.808 1.00 0.00 N ATOM 1006 CA GLN A 67 18.762 22.917 -10.735 1.00 0.00 C ATOM 1007 C GLN A 67 18.951 21.942 -11.887 1.00 0.00 C ATOM 1008 O GLN A 67 19.240 22.344 -13.014 1.00 0.00 O ATOM 1009 CB GLN A 67 20.083 23.133 -9.995 1.00 0.00 C ATOM 1010 CG GLN A 67 19.962 24.114 -8.842 1.00 0.00 C ATOM 1011 CD GLN A 67 21.207 24.180 -7.984 1.00 0.00 C ATOM 1012 OE1 GLN A 67 22.322 23.971 -8.461 1.00 0.00 O ATOM 1013 NE2 GLN A 67 21.018 24.460 -6.704 1.00 0.00 N ATOM 0 H GLN A 67 18.134 22.002 -8.963 1.00 0.00 H new ATOM 0 HA GLN A 67 18.427 23.868 -11.149 1.00 0.00 H new ATOM 0 HB2 GLN A 67 20.441 22.176 -9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 67 20.832 23.497 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 67 19.748 25.107 -9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.114 23.830 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 67 20.075 24.626 -6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 67 21.815 24.510 -6.070 1.00 0.00 H new ATOM 1022 N ILE A 68 18.773 20.659 -11.598 1.00 0.00 N ATOM 1023 CA ILE A 68 18.909 19.622 -12.607 1.00 0.00 C ATOM 1024 C ILE A 68 17.806 19.739 -13.658 1.00 0.00 C ATOM 1025 O ILE A 68 18.068 19.594 -14.849 1.00 0.00 O ATOM 1026 CB ILE A 68 18.880 18.212 -11.972 1.00 0.00 C ATOM 1027 CG1 ILE A 68 20.072 18.032 -11.025 1.00 0.00 C ATOM 1028 CG2 ILE A 68 18.884 17.132 -13.046 1.00 0.00 C ATOM 1029 CD1 ILE A 68 21.418 18.198 -11.695 1.00 0.00 C ATOM 0 H ILE A 68 18.533 20.313 -10.669 1.00 0.00 H new ATOM 0 HA ILE A 68 19.876 19.763 -13.090 1.00 0.00 H new ATOM 0 HB ILE A 68 17.959 18.114 -11.398 1.00 0.00 H new ATOM 0 HG12 ILE A 68 19.990 18.754 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 68 20.020 17.040 -10.576 1.00 0.00 H new ATOM 0 HG21 ILE A 68 18.863 16.150 -12.574 1.00 0.00 H new ATOM 0 HG22 ILE A 68 18.006 17.248 -13.682 1.00 0.00 H new ATOM 0 HG23 ILE A 68 19.785 17.225 -13.652 1.00 0.00 H new ATOM 0 HD11 ILE A 68 22.210 18.056 -10.960 1.00 0.00 H new ATOM 0 HD12 ILE A 68 21.523 17.459 -12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 68 21.492 19.199 -12.119 1.00 0.00 H new ATOM 1041 N ARG A 69 16.589 20.037 -13.211 1.00 0.00 N ATOM 1042 CA ARG A 69 15.422 20.115 -14.097 1.00 0.00 C ATOM 1043 C ARG A 69 15.638 21.097 -15.252 1.00 0.00 C ATOM 1044 O ARG A 69 15.075 20.926 -16.335 1.00 0.00 O ATOM 1045 CB ARG A 69 14.185 20.503 -13.282 1.00 0.00 C ATOM 1046 CG ARG A 69 12.925 20.704 -14.105 1.00 0.00 C ATOM 1047 CD ARG A 69 11.682 20.607 -13.239 1.00 0.00 C ATOM 1048 NE ARG A 69 11.476 19.245 -12.749 1.00 0.00 N ATOM 1049 CZ ARG A 69 10.779 18.930 -11.662 1.00 0.00 C ATOM 1050 NH1 ARG A 69 10.269 19.882 -10.886 1.00 0.00 N ATOM 1051 NH2 ARG A 69 10.617 17.651 -11.345 1.00 0.00 N ATOM 0 H ARG A 69 16.380 20.231 -12.232 1.00 0.00 H new ATOM 0 HA ARG A 69 15.272 19.132 -14.543 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.998 19.728 -12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.398 21.423 -12.737 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.957 21.679 -14.592 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.880 19.955 -14.895 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.772 21.289 -12.394 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.811 20.924 -13.813 1.00 0.00 H new ATOM 0 HE ARG A 69 11.897 18.482 -13.279 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.411 20.864 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.736 19.630 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.025 16.924 -11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.084 17.395 -10.514 1.00 0.00 H new ATOM 1065 N GLN A 70 16.462 22.110 -15.024 1.00 0.00 N ATOM 1066 CA GLN A 70 16.781 23.082 -16.053 1.00 0.00 C ATOM 1067 C GLN A 70 17.478 22.412 -17.233 1.00 0.00 C ATOM 1068 O GLN A 70 17.080 22.567 -18.383 1.00 0.00 O ATOM 1069 CB GLN A 70 17.694 24.144 -15.462 1.00 0.00 C ATOM 1070 CG GLN A 70 17.943 25.312 -16.390 1.00 0.00 C ATOM 1071 CD GLN A 70 18.908 26.324 -15.801 1.00 0.00 C ATOM 1072 OE1 GLN A 70 18.499 27.267 -15.125 1.00 0.00 O ATOM 1073 NE2 GLN A 70 20.194 26.144 -16.060 1.00 0.00 N ATOM 0 H GLN A 70 16.923 22.278 -14.130 1.00 0.00 H new ATOM 0 HA GLN A 70 15.857 23.535 -16.411 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.255 24.514 -14.535 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.649 23.687 -15.202 1.00 0.00 H new ATOM 0 HG2 GLN A 70 18.340 24.943 -17.335 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.996 25.804 -16.613 1.00 0.00 H new ATOM 0 HE21 GLN A 70 20.494 25.349 -16.625 1.00 0.00 H new ATOM 0 HE22 GLN A 70 20.884 26.800 -15.695 1.00 0.00 H new ATOM 1082 N LEU A 71 18.517 21.658 -16.917 1.00 0.00 N ATOM 1083 CA LEU A 71 19.321 20.981 -17.930 1.00 0.00 C ATOM 1084 C LEU A 71 18.656 19.672 -18.367 1.00 0.00 C ATOM 1085 O LEU A 71 18.727 19.285 -19.534 1.00 0.00 O ATOM 1086 CB LEU A 71 20.732 20.722 -17.369 1.00 0.00 C ATOM 1087 CG LEU A 71 21.810 20.324 -18.391 1.00 0.00 C ATOM 1088 CD1 LEU A 71 23.193 20.657 -17.849 1.00 0.00 C ATOM 1089 CD2 LEU A 71 21.737 18.837 -18.716 1.00 0.00 C ATOM 0 H LEU A 71 18.829 21.496 -15.959 1.00 0.00 H new ATOM 0 HA LEU A 71 19.399 21.618 -18.811 1.00 0.00 H new ATOM 0 HB2 LEU A 71 21.066 21.623 -16.853 1.00 0.00 H new ATOM 0 HB3 LEU A 71 20.663 19.933 -16.620 1.00 0.00 H new ATOM 0 HG LEU A 71 21.629 20.889 -19.306 1.00 0.00 H new ATOM 0 HD11 LEU A 71 23.949 20.371 -18.580 1.00 0.00 H new ATOM 0 HD12 LEU A 71 23.260 21.728 -17.657 1.00 0.00 H new ATOM 0 HD13 LEU A 71 23.361 20.111 -16.921 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.511 18.585 -19.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.890 18.258 -17.805 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.758 18.604 -19.134 1.00 0.00 H new ATOM 1101 N LYS A 72 18.002 19.006 -17.424 1.00 0.00 N ATOM 1102 CA LYS A 72 17.391 17.704 -17.668 1.00 0.00 C ATOM 1103 C LYS A 72 16.159 17.844 -18.563 1.00 0.00 C ATOM 1104 O LYS A 72 15.747 16.881 -19.216 1.00 0.00 O ATOM 1105 CB LYS A 72 17.033 17.049 -16.325 1.00 0.00 C ATOM 1106 CG LYS A 72 16.701 15.565 -16.396 1.00 0.00 C ATOM 1107 CD LYS A 72 15.219 15.327 -16.631 1.00 0.00 C ATOM 1108 CE LYS A 72 14.893 13.843 -16.658 1.00 0.00 C ATOM 1109 NZ LYS A 72 13.436 13.598 -16.829 1.00 0.00 N ATOM 0 H LYS A 72 17.880 19.351 -16.472 1.00 0.00 H new ATOM 0 HA LYS A 72 18.102 17.064 -18.191 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.868 17.186 -15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.180 17.576 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.275 15.103 -17.199 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.004 15.080 -15.468 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.642 15.814 -15.845 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.921 15.784 -17.575 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.439 13.366 -17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.233 13.380 -15.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.255 12.574 -16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.916 14.031 -16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.116 14.018 -17.725 1.00 0.00 H new