USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.0194 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-7.9!) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= -0.323 (180deg=-0.804) USER MOD Single : A 42 ASN : amide:sc= 0.948 K(o=0.95,f=-0.39) USER MOD Single : A 45 ASN : amide:sc= -5.35! C(o=-5.4!,f=-15!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.0625 (180deg=-0.449) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -43:sc= -0.516 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00342 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -1.399 4.917 -4.540 1.00 0.00 N ATOM 94 CA ASN A 10 -2.405 3.861 -4.526 1.00 0.00 C ATOM 95 C ASN A 10 -1.828 2.567 -3.960 1.00 0.00 C ATOM 96 O ASN A 10 -0.837 2.043 -4.469 1.00 0.00 O ATOM 97 CB ASN A 10 -2.941 3.619 -5.939 1.00 0.00 C ATOM 98 CG ASN A 10 -3.166 4.911 -6.701 1.00 0.00 C ATOM 99 OD1 ASN A 10 -2.612 4.992 -7.905 1.00 0.00 O flip ATOM 100 ND2 ASN A 10 -3.831 5.825 -6.212 1.00 0.00 N flip ATOM 0 HA ASN A 10 -3.225 4.183 -3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.238 2.994 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.879 3.067 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.238 5.719 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.975 6.688 -6.736 1.00 0.00 H new ATOM 107 N TYR A 11 -2.455 2.058 -2.906 1.00 0.00 N ATOM 108 CA TYR A 11 -2.003 0.826 -2.269 1.00 0.00 C ATOM 109 C TYR A 11 -1.882 -0.302 -3.289 1.00 0.00 C ATOM 110 O TYR A 11 -0.869 -0.999 -3.343 1.00 0.00 O ATOM 111 CB TYR A 11 -2.968 0.419 -1.155 1.00 0.00 C ATOM 112 CG TYR A 11 -3.041 1.418 -0.022 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.885 1.891 0.588 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.264 1.888 0.439 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.947 2.802 1.625 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.335 2.801 1.473 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.174 3.255 2.063 1.00 0.00 C ATOM 118 OH TYR A 11 -3.239 4.164 3.094 1.00 0.00 O ATOM 0 H TYR A 11 -3.278 2.479 -2.474 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.019 1.010 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.964 0.289 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.662 -0.548 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.922 1.541 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.175 1.533 -0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.039 3.158 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.294 3.157 1.818 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.176 4.381 3.280 1.00 0.00 H new ATOM 128 N TYR A 12 -2.922 -0.473 -4.098 1.00 0.00 N ATOM 129 CA TYR A 12 -2.934 -1.517 -5.116 1.00 0.00 C ATOM 130 C TYR A 12 -1.658 -1.478 -5.951 1.00 0.00 C ATOM 131 O TYR A 12 -1.061 -2.515 -6.239 1.00 0.00 O ATOM 132 CB TYR A 12 -4.156 -1.359 -6.022 1.00 0.00 C ATOM 133 CG TYR A 12 -5.462 -1.706 -5.344 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.776 -3.022 -5.029 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.383 -0.717 -5.020 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.968 -3.343 -4.410 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.577 -1.029 -4.400 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.865 -2.344 -4.097 1.00 0.00 C ATOM 139 OH TYR A 12 -9.055 -2.659 -3.480 1.00 0.00 O ATOM 0 H TYR A 12 -3.767 0.098 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.986 -2.482 -4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.203 -0.330 -6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.032 -1.994 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.076 -3.808 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.161 0.313 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.196 -4.371 -4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.281 -0.248 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.572 -1.840 -3.328 1.00 0.00 H new ATOM 149 N GLU A 13 -1.248 -0.274 -6.337 1.00 0.00 N ATOM 150 CA GLU A 13 -0.043 -0.099 -7.139 1.00 0.00 C ATOM 151 C GLU A 13 1.204 -0.454 -6.334 1.00 0.00 C ATOM 152 O GLU A 13 2.029 -1.258 -6.768 1.00 0.00 O ATOM 153 CB GLU A 13 0.056 1.342 -7.644 1.00 0.00 C ATOM 154 CG GLU A 13 -1.022 1.709 -8.651 1.00 0.00 C ATOM 155 CD GLU A 13 -0.838 1.010 -9.984 1.00 0.00 C ATOM 156 OE1 GLU A 13 -1.124 -0.203 -10.061 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.408 1.676 -10.949 1.00 0.00 O ATOM 0 H GLU A 13 -1.732 0.594 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.106 -0.773 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.006 2.021 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.034 1.492 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.999 1.451 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.016 2.788 -8.807 1.00 0.00 H new ATOM 164 N VAL A 14 1.334 0.152 -5.158 1.00 0.00 N ATOM 165 CA VAL A 14 2.479 -0.099 -4.291 1.00 0.00 C ATOM 166 C VAL A 14 2.789 -1.589 -4.208 1.00 0.00 C ATOM 167 O VAL A 14 3.926 -2.011 -4.426 1.00 0.00 O ATOM 168 CB VAL A 14 2.235 0.442 -2.869 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.395 0.079 -1.954 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.023 1.948 -2.902 1.00 0.00 C ATOM 0 H VAL A 14 0.660 0.820 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 14 3.329 0.423 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 14 1.331 -0.021 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.206 0.469 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.496 -1.005 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.316 0.513 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.852 2.314 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.907 2.431 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.157 2.180 -3.523 1.00 0.00 H new ATOM 180 N LEU A 15 1.772 -2.384 -3.894 1.00 0.00 N ATOM 181 CA LEU A 15 1.935 -3.829 -3.784 1.00 0.00 C ATOM 182 C LEU A 15 2.091 -4.466 -5.161 1.00 0.00 C ATOM 183 O LEU A 15 2.928 -5.346 -5.358 1.00 0.00 O ATOM 184 CB LEU A 15 0.737 -4.444 -3.058 1.00 0.00 C ATOM 185 CG LEU A 15 0.746 -4.330 -1.533 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.664 -4.462 -0.979 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.661 -5.383 -0.925 1.00 0.00 C ATOM 0 H LEU A 15 0.825 -2.052 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 15 2.840 -4.025 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.171 -3.971 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.680 -5.500 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 15 1.129 -3.346 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.637 -4.378 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.291 -3.670 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.075 -5.432 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.655 -5.287 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.308 -6.376 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.676 -5.241 -1.296 1.00 0.00 H new ATOM 199 N GLY A 16 1.279 -4.014 -6.112 1.00 0.00 N ATOM 200 CA GLY A 16 1.345 -4.550 -7.459 1.00 0.00 C ATOM 201 C GLY A 16 0.273 -5.589 -7.722 1.00 0.00 C ATOM 202 O GLY A 16 0.556 -6.660 -8.260 1.00 0.00 O ATOM 0 H GLY A 16 0.577 -3.287 -5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.241 -3.736 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.326 -4.995 -7.622 1.00 0.00 H new ATOM 206 N VAL A 17 -0.961 -5.275 -7.341 1.00 0.00 N ATOM 207 CA VAL A 17 -2.078 -6.190 -7.539 1.00 0.00 C ATOM 208 C VAL A 17 -3.291 -5.462 -8.107 1.00 0.00 C ATOM 209 O VAL A 17 -3.284 -4.240 -8.247 1.00 0.00 O ATOM 210 CB VAL A 17 -2.478 -6.880 -6.221 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.332 -7.729 -5.693 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.907 -5.848 -5.189 1.00 0.00 C ATOM 0 H VAL A 17 -1.212 -4.394 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.746 -6.946 -8.251 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.325 -7.538 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.633 -8.208 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.076 -8.492 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.464 -7.096 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.186 -6.353 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.081 -5.164 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.761 -5.287 -5.568 1.00 0.00 H new ATOM 222 N GLN A 18 -4.332 -6.222 -8.432 1.00 0.00 N ATOM 223 CA GLN A 18 -5.553 -5.649 -8.985 1.00 0.00 C ATOM 224 C GLN A 18 -6.628 -5.517 -7.912 1.00 0.00 C ATOM 225 O GLN A 18 -6.567 -6.177 -6.875 1.00 0.00 O ATOM 226 CB GLN A 18 -6.070 -6.511 -10.138 1.00 0.00 C ATOM 227 CG GLN A 18 -5.195 -6.453 -11.380 1.00 0.00 C ATOM 228 CD GLN A 18 -5.517 -7.555 -12.372 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.532 -7.504 -13.066 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.650 -8.558 -12.443 1.00 0.00 N ATOM 0 H GLN A 18 -4.354 -7.236 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.318 -4.654 -9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.143 -7.546 -9.803 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.078 -6.188 -10.398 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.322 -5.485 -11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.148 -6.528 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.821 -8.559 -11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.813 -9.328 -13.092 1.00 0.00 H new ATOM 239 N ALA A 19 -7.612 -4.661 -8.168 1.00 0.00 N ATOM 240 CA ALA A 19 -8.701 -4.444 -7.224 1.00 0.00 C ATOM 241 C ALA A 19 -9.457 -5.740 -6.951 1.00 0.00 C ATOM 242 O ALA A 19 -9.873 -6.001 -5.822 1.00 0.00 O ATOM 243 CB ALA A 19 -9.650 -3.377 -7.749 1.00 0.00 C ATOM 0 H ALA A 19 -7.677 -4.106 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.271 -4.100 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.458 -3.225 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.106 -2.442 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.066 -3.698 -8.704 1.00 0.00 H new ATOM 249 N SER A 20 -9.632 -6.548 -7.992 1.00 0.00 N ATOM 250 CA SER A 20 -10.342 -7.815 -7.865 1.00 0.00 C ATOM 251 C SER A 20 -9.380 -8.944 -7.512 1.00 0.00 C ATOM 252 O SER A 20 -9.701 -10.121 -7.672 1.00 0.00 O ATOM 253 CB SER A 20 -11.078 -8.144 -9.166 1.00 0.00 C ATOM 254 OG SER A 20 -10.179 -8.199 -10.260 1.00 0.00 O ATOM 0 H SER A 20 -9.292 -6.348 -8.932 1.00 0.00 H new ATOM 0 HA SER A 20 -11.069 -7.716 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.592 -9.100 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.842 -7.390 -9.356 1.00 0.00 H new ATOM 0 HG SER A 20 -10.673 -8.412 -11.079 1.00 0.00 H new ATOM 260 N ALA A 21 -8.197 -8.576 -7.031 1.00 0.00 N ATOM 261 CA ALA A 21 -7.187 -9.558 -6.654 1.00 0.00 C ATOM 262 C ALA A 21 -7.646 -10.386 -5.459 1.00 0.00 C ATOM 263 O ALA A 21 -8.547 -9.984 -4.722 1.00 0.00 O ATOM 264 CB ALA A 21 -5.868 -8.865 -6.343 1.00 0.00 C ATOM 0 H ALA A 21 -7.914 -7.606 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.040 -10.234 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.123 -9.610 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.525 -8.322 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.010 -8.166 -5.519 1.00 0.00 H new ATOM 270 N SER A 22 -7.022 -11.545 -5.273 1.00 0.00 N ATOM 271 CA SER A 22 -7.371 -12.432 -4.169 1.00 0.00 C ATOM 272 C SER A 22 -6.705 -11.976 -2.874 1.00 0.00 C ATOM 273 O SER A 22 -5.741 -11.209 -2.878 1.00 0.00 O ATOM 274 CB SER A 22 -6.955 -13.868 -4.491 1.00 0.00 C ATOM 275 OG SER A 22 -8.003 -14.571 -5.136 1.00 0.00 O ATOM 0 H SER A 22 -6.273 -11.892 -5.872 1.00 0.00 H new ATOM 0 HA SER A 22 -8.452 -12.395 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.072 -13.859 -5.130 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.678 -14.384 -3.572 1.00 0.00 H new ATOM 0 HG SER A 22 -7.711 -15.486 -5.332 1.00 0.00 H new ATOM 281 N PRO A 23 -7.231 -12.457 -1.738 1.00 0.00 N ATOM 282 CA PRO A 23 -6.704 -12.113 -0.414 1.00 0.00 C ATOM 283 C PRO A 23 -5.334 -12.731 -0.157 1.00 0.00 C ATOM 284 O PRO A 23 -4.595 -12.281 0.718 1.00 0.00 O ATOM 285 CB PRO A 23 -7.744 -12.700 0.545 1.00 0.00 C ATOM 286 CG PRO A 23 -8.379 -13.810 -0.219 1.00 0.00 C ATOM 287 CD PRO A 23 -8.380 -13.375 -1.659 1.00 0.00 C ATOM 0 HA PRO A 23 -6.557 -11.039 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.277 -13.065 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.479 -11.951 0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.823 -14.739 -0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.394 -13.996 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.265 -14.222 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.312 -12.877 -1.928 1.00 0.00 H new ATOM 295 N GLU A 24 -5.002 -13.764 -0.926 1.00 0.00 N ATOM 296 CA GLU A 24 -3.720 -14.443 -0.780 1.00 0.00 C ATOM 297 C GLU A 24 -2.652 -13.781 -1.646 1.00 0.00 C ATOM 298 O GLU A 24 -1.500 -13.643 -1.234 1.00 0.00 O ATOM 299 CB GLU A 24 -3.854 -15.920 -1.155 1.00 0.00 C ATOM 300 CG GLU A 24 -2.529 -16.664 -1.180 1.00 0.00 C ATOM 301 CD GLU A 24 -2.611 -17.974 -1.941 1.00 0.00 C ATOM 302 OE1 GLU A 24 -3.708 -18.569 -1.980 1.00 0.00 O ATOM 303 OE2 GLU A 24 -1.578 -18.403 -2.496 1.00 0.00 O ATOM 0 H GLU A 24 -5.603 -14.148 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.415 -14.368 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.522 -16.408 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.322 -15.996 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.769 -16.030 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.208 -16.861 -0.157 1.00 0.00 H new ATOM 310 N ASP A 25 -3.043 -13.375 -2.849 1.00 0.00 N ATOM 311 CA ASP A 25 -2.120 -12.728 -3.775 1.00 0.00 C ATOM 312 C ASP A 25 -1.454 -11.521 -3.123 1.00 0.00 C ATOM 313 O ASP A 25 -0.244 -11.326 -3.244 1.00 0.00 O ATOM 314 CB ASP A 25 -2.857 -12.296 -5.044 1.00 0.00 C ATOM 315 CG ASP A 25 -3.015 -13.431 -6.037 1.00 0.00 C ATOM 316 OD1 ASP A 25 -3.946 -14.245 -5.864 1.00 0.00 O ATOM 317 OD2 ASP A 25 -2.207 -13.504 -6.986 1.00 0.00 O ATOM 0 H ASP A 25 -3.992 -13.482 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.346 -13.448 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.841 -11.912 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.313 -11.478 -5.516 1.00 0.00 H new ATOM 322 N ILE A 26 -2.251 -10.713 -2.432 1.00 0.00 N ATOM 323 CA ILE A 26 -1.738 -9.525 -1.761 1.00 0.00 C ATOM 324 C ILE A 26 -0.767 -9.899 -0.646 1.00 0.00 C ATOM 325 O ILE A 26 0.263 -9.251 -0.461 1.00 0.00 O ATOM 326 CB ILE A 26 -2.879 -8.675 -1.170 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.853 -8.253 -2.271 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.316 -7.455 -0.456 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.271 -8.055 -1.780 1.00 0.00 C ATOM 0 H ILE A 26 -3.254 -10.859 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.213 -8.939 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.422 -9.278 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.500 -7.325 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.851 -9.009 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.134 -6.865 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.659 -7.777 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.751 -6.848 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.906 -7.757 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.643 -8.988 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.286 -7.278 -1.016 1.00 0.00 H new ATOM 341 N LYS A 27 -1.102 -10.950 0.094 1.00 0.00 N ATOM 342 CA LYS A 27 -0.260 -11.415 1.190 1.00 0.00 C ATOM 343 C LYS A 27 1.100 -11.874 0.673 1.00 0.00 C ATOM 344 O LYS A 27 2.141 -11.392 1.121 1.00 0.00 O ATOM 345 CB LYS A 27 -0.946 -12.560 1.938 1.00 0.00 C ATOM 346 CG LYS A 27 -0.108 -13.138 3.065 1.00 0.00 C ATOM 347 CD LYS A 27 0.760 -14.288 2.582 1.00 0.00 C ATOM 348 CE LYS A 27 -0.010 -15.600 2.568 1.00 0.00 C ATOM 349 NZ LYS A 27 0.791 -16.706 1.976 1.00 0.00 N ATOM 0 H LYS A 27 -1.952 -11.497 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.107 -10.582 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.891 -12.202 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.185 -13.354 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.524 -12.357 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.762 -13.486 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.129 -14.071 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.632 -14.384 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.297 -15.864 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.932 -15.474 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.232 -17.583 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.043 -16.466 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.658 -16.843 2.533 1.00 0.00 H new ATOM 363 N LYS A 28 1.084 -12.807 -0.272 1.00 0.00 N ATOM 364 CA LYS A 28 2.316 -13.330 -0.852 1.00 0.00 C ATOM 365 C LYS A 28 3.158 -12.205 -1.447 1.00 0.00 C ATOM 366 O LYS A 28 4.383 -12.207 -1.333 1.00 0.00 O ATOM 367 CB LYS A 28 1.996 -14.366 -1.931 1.00 0.00 C ATOM 368 CG LYS A 28 1.149 -13.820 -3.068 1.00 0.00 C ATOM 369 CD LYS A 28 1.204 -14.723 -4.288 1.00 0.00 C ATOM 370 CE LYS A 28 1.003 -13.935 -5.574 1.00 0.00 C ATOM 371 NZ LYS A 28 1.207 -14.782 -6.781 1.00 0.00 N ATOM 0 H LYS A 28 0.231 -13.217 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 28 2.888 -13.807 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.930 -14.754 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.475 -15.207 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.116 -13.718 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.498 -12.823 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.166 -15.235 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.436 -15.492 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.003 -13.517 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.698 -13.095 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.061 -14.209 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.175 -15.161 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.527 -15.569 -6.772 1.00 0.00 H new ATOM 385 N ALA A 29 2.492 -11.245 -2.080 1.00 0.00 N ATOM 386 CA ALA A 29 3.178 -10.113 -2.688 1.00 0.00 C ATOM 387 C ALA A 29 4.006 -9.353 -1.657 1.00 0.00 C ATOM 388 O ALA A 29 5.192 -9.097 -1.865 1.00 0.00 O ATOM 389 CB ALA A 29 2.175 -9.181 -3.352 1.00 0.00 C ATOM 0 H ALA A 29 1.478 -11.229 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 29 3.857 -10.499 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.702 -8.340 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.631 -9.723 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.472 -8.811 -2.605 1.00 0.00 H new ATOM 395 N TYR A 30 3.373 -8.996 -0.545 1.00 0.00 N ATOM 396 CA TYR A 30 4.051 -8.263 0.518 1.00 0.00 C ATOM 397 C TYR A 30 5.316 -8.991 0.962 1.00 0.00 C ATOM 398 O TYR A 30 6.428 -8.503 0.765 1.00 0.00 O ATOM 399 CB TYR A 30 3.114 -8.071 1.712 1.00 0.00 C ATOM 400 CG TYR A 30 3.837 -7.910 3.029 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.324 -6.672 3.430 1.00 0.00 C ATOM 402 CD2 TYR A 30 4.032 -8.995 3.875 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.986 -6.520 4.633 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.692 -8.852 5.080 1.00 0.00 C ATOM 405 CZ TYR A 30 5.167 -7.613 5.454 1.00 0.00 C ATOM 406 OH TYR A 30 5.825 -7.465 6.654 1.00 0.00 O ATOM 0 H TYR A 30 2.392 -9.202 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 30 4.335 -7.286 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.493 -7.192 1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.443 -8.927 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.183 -5.814 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.661 -9.967 3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.360 -5.551 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.835 -9.706 5.725 1.00 0.00 H new ATOM 0 HH TYR A 30 5.867 -8.330 7.113 1.00 0.00 H new ATOM 416 N ARG A 31 5.135 -10.164 1.561 1.00 0.00 N ATOM 417 CA ARG A 31 6.261 -10.961 2.034 1.00 0.00 C ATOM 418 C ARG A 31 7.457 -10.822 1.097 1.00 0.00 C ATOM 419 O ARG A 31 8.524 -10.357 1.499 1.00 0.00 O ATOM 420 CB ARG A 31 5.858 -12.432 2.149 1.00 0.00 C ATOM 421 CG ARG A 31 4.735 -12.680 3.143 1.00 0.00 C ATOM 422 CD ARG A 31 4.765 -14.105 3.674 1.00 0.00 C ATOM 423 NE ARG A 31 5.714 -14.259 4.773 1.00 0.00 N ATOM 424 CZ ARG A 31 6.966 -14.671 4.610 1.00 0.00 C ATOM 425 NH1 ARG A 31 7.418 -14.968 3.400 1.00 0.00 N ATOM 426 NH2 ARG A 31 7.769 -14.786 5.660 1.00 0.00 N ATOM 0 H ARG A 31 4.221 -10.583 1.730 1.00 0.00 H new ATOM 0 HA ARG A 31 6.548 -10.591 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.550 -12.793 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.729 -13.017 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.821 -11.979 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.775 -12.489 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.768 -14.386 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.031 -14.787 2.867 1.00 0.00 H new ATOM 0 HE ARG A 31 5.398 -14.038 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.804 -14.880 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.380 -15.284 3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.425 -14.558 6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.731 -15.102 5.534 1.00 0.00 H new ATOM 440 N LYS A 32 7.272 -11.227 -0.154 1.00 0.00 N ATOM 441 CA LYS A 32 8.335 -11.148 -1.150 1.00 0.00 C ATOM 442 C LYS A 32 8.825 -9.712 -1.310 1.00 0.00 C ATOM 443 O LYS A 32 10.028 -9.450 -1.292 1.00 0.00 O ATOM 444 CB LYS A 32 7.841 -11.683 -2.496 1.00 0.00 C ATOM 445 CG LYS A 32 7.241 -13.076 -2.415 1.00 0.00 C ATOM 446 CD LYS A 32 8.295 -14.118 -2.078 1.00 0.00 C ATOM 447 CE LYS A 32 8.934 -14.689 -3.335 1.00 0.00 C ATOM 448 NZ LYS A 32 9.674 -15.951 -3.055 1.00 0.00 N ATOM 0 H LYS A 32 6.395 -11.614 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 32 9.168 -11.761 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.094 -10.998 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.673 -11.696 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.457 -13.092 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.771 -13.327 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.064 -13.670 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.841 -14.924 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.162 -14.878 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.617 -13.954 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.095 -16.309 -3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.427 -15.766 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.017 -16.661 -2.672 1.00 0.00 H new ATOM 462 N LEU A 33 7.885 -8.786 -1.464 1.00 0.00 N ATOM 463 CA LEU A 33 8.221 -7.375 -1.626 1.00 0.00 C ATOM 464 C LEU A 33 9.159 -6.909 -0.517 1.00 0.00 C ATOM 465 O LEU A 33 10.286 -6.490 -0.778 1.00 0.00 O ATOM 466 CB LEU A 33 6.950 -6.525 -1.626 1.00 0.00 C ATOM 467 CG LEU A 33 6.141 -6.529 -2.924 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.782 -5.881 -2.707 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.903 -5.815 -4.030 1.00 0.00 C ATOM 0 H LEU A 33 6.885 -8.986 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 33 8.730 -7.255 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.305 -6.871 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.225 -5.496 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 33 5.984 -7.564 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.220 -5.893 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.232 -6.435 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.918 -4.851 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.312 -5.828 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.092 -4.783 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.852 -6.322 -4.204 1.00 0.00 H new ATOM 481 N ALA A 34 8.685 -6.986 0.723 1.00 0.00 N ATOM 482 CA ALA A 34 9.482 -6.575 1.872 1.00 0.00 C ATOM 483 C ALA A 34 10.957 -6.898 1.661 1.00 0.00 C ATOM 484 O ALA A 34 11.822 -6.038 1.829 1.00 0.00 O ATOM 485 CB ALA A 34 8.968 -7.247 3.137 1.00 0.00 C ATOM 0 H ALA A 34 7.753 -7.329 0.957 1.00 0.00 H new ATOM 0 HA ALA A 34 9.386 -5.495 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.572 -6.932 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.929 -6.962 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.034 -8.329 3.027 1.00 0.00 H new ATOM 491 N LEU A 35 11.238 -8.143 1.292 1.00 0.00 N ATOM 492 CA LEU A 35 12.610 -8.581 1.059 1.00 0.00 C ATOM 493 C LEU A 35 13.209 -7.872 -0.152 1.00 0.00 C ATOM 494 O LEU A 35 14.383 -7.502 -0.150 1.00 0.00 O ATOM 495 CB LEU A 35 12.655 -10.096 0.851 1.00 0.00 C ATOM 496 CG LEU A 35 12.856 -10.940 2.110 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.239 -12.319 1.931 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.336 -11.055 2.444 1.00 0.00 C ATOM 0 H LEU A 35 10.534 -8.867 1.148 1.00 0.00 H new ATOM 0 HA LEU A 35 13.202 -8.324 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.724 -10.405 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.461 -10.323 0.153 1.00 0.00 H new ATOM 0 HG LEU A 35 12.354 -10.445 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.391 -12.906 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.171 -12.218 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.712 -12.823 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.460 -11.659 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.861 -11.528 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.749 -10.061 2.615 1.00 0.00 H new ATOM 510 N ARG A 36 12.393 -7.684 -1.184 1.00 0.00 N ATOM 511 CA ARG A 36 12.842 -7.018 -2.401 1.00 0.00 C ATOM 512 C ARG A 36 13.297 -5.592 -2.105 1.00 0.00 C ATOM 513 O ARG A 36 14.414 -5.203 -2.448 1.00 0.00 O ATOM 514 CB ARG A 36 11.720 -7.001 -3.442 1.00 0.00 C ATOM 515 CG ARG A 36 12.139 -6.411 -4.779 1.00 0.00 C ATOM 516 CD ARG A 36 11.290 -6.955 -5.917 1.00 0.00 C ATOM 517 NE ARG A 36 11.685 -6.398 -7.208 1.00 0.00 N ATOM 518 CZ ARG A 36 12.647 -6.912 -7.967 1.00 0.00 C ATOM 519 NH1 ARG A 36 13.308 -7.989 -7.565 1.00 0.00 N ATOM 520 NH2 ARG A 36 12.949 -6.349 -9.130 1.00 0.00 N ATOM 0 H ARG A 36 11.418 -7.983 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 36 13.690 -7.576 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.366 -8.020 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.880 -6.429 -3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.049 -5.325 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.189 -6.638 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.378 -8.041 -5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.241 -6.726 -5.729 1.00 0.00 H new ATOM 0 HE ARG A 36 11.196 -5.569 -7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.078 -8.424 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.046 -8.382 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.442 -5.521 -9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.688 -6.745 -9.712 1.00 0.00 H new ATOM 534 N TRP A 37 12.426 -4.820 -1.467 1.00 0.00 N ATOM 535 CA TRP A 37 12.739 -3.437 -1.125 1.00 0.00 C ATOM 536 C TRP A 37 13.518 -3.362 0.184 1.00 0.00 C ATOM 537 O TRP A 37 13.643 -2.294 0.783 1.00 0.00 O ATOM 538 CB TRP A 37 11.454 -2.614 -1.015 1.00 0.00 C ATOM 539 CG TRP A 37 10.964 -2.099 -2.335 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.817 -2.462 -2.981 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.608 -1.130 -3.169 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.710 -1.776 -4.167 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.795 -0.952 -4.305 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.791 -0.393 -3.066 1.00 0.00 C ATOM 545 CZ2 TRP A 37 11.129 -0.070 -5.329 1.00 0.00 C ATOM 546 CZ3 TRP A 37 13.122 0.482 -4.083 1.00 0.00 C ATOM 547 CH2 TRP A 37 12.293 0.639 -5.202 1.00 0.00 C ATOM 0 H TRP A 37 11.498 -5.127 -1.176 1.00 0.00 H new ATOM 0 HA TRP A 37 13.360 -3.024 -1.920 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.676 -3.227 -0.561 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.627 -1.771 -0.346 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.100 -3.182 -2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.946 -1.866 -4.836 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.435 -0.505 -2.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.492 0.051 -6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 14.035 1.055 -4.014 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.578 1.333 -5.979 1.00 0.00 H new ATOM 558 N HIS A 38 14.041 -4.503 0.622 1.00 0.00 N ATOM 559 CA HIS A 38 14.809 -4.566 1.860 1.00 0.00 C ATOM 560 C HIS A 38 16.081 -3.730 1.754 1.00 0.00 C ATOM 561 O HIS A 38 16.756 -3.711 0.724 1.00 0.00 O ATOM 562 CB HIS A 38 15.164 -6.016 2.192 1.00 0.00 C ATOM 563 CG HIS A 38 15.411 -6.254 3.650 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.618 -5.987 4.262 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.598 -6.735 4.619 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.537 -6.296 5.544 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.321 -6.751 5.786 1.00 0.00 N ATOM 0 H HIS A 38 13.947 -5.396 0.138 1.00 0.00 H new ATOM 0 HA HIS A 38 14.193 -4.158 2.661 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.354 -6.665 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.053 -6.301 1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.572 -7.048 4.497 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.330 -6.194 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.975 -7.064 6.693 1.00 0.00 H new ATOM 575 N PRO A 39 16.417 -3.021 2.842 1.00 0.00 N ATOM 576 CA PRO A 39 17.609 -2.170 2.895 1.00 0.00 C ATOM 577 C PRO A 39 18.900 -2.981 2.905 1.00 0.00 C ATOM 578 O PRO A 39 19.880 -2.614 2.256 1.00 0.00 O ATOM 579 CB PRO A 39 17.444 -1.411 4.214 1.00 0.00 C ATOM 580 CG PRO A 39 16.588 -2.294 5.055 1.00 0.00 C ATOM 581 CD PRO A 39 15.658 -2.997 4.104 1.00 0.00 C ATOM 0 HA PRO A 39 17.687 -1.523 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.408 -1.227 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.976 -0.440 4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.193 -3.011 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.030 -1.713 5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.417 -4.003 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.714 -2.462 3.996 1.00 0.00 H new ATOM 589 N ASP A 40 18.895 -4.085 3.645 1.00 0.00 N ATOM 590 CA ASP A 40 20.065 -4.949 3.737 1.00 0.00 C ATOM 591 C ASP A 40 20.381 -5.584 2.386 1.00 0.00 C ATOM 592 O ASP A 40 21.545 -5.767 2.031 1.00 0.00 O ATOM 593 CB ASP A 40 19.840 -6.039 4.786 1.00 0.00 C ATOM 594 CG ASP A 40 21.133 -6.698 5.224 1.00 0.00 C ATOM 595 OD1 ASP A 40 21.994 -5.994 5.792 1.00 0.00 O ATOM 596 OD2 ASP A 40 21.284 -7.917 4.998 1.00 0.00 O ATOM 0 H ASP A 40 18.093 -4.402 4.190 1.00 0.00 H new ATOM 0 HA ASP A 40 20.915 -4.336 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.344 -5.606 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.169 -6.796 4.380 1.00 0.00 H new ATOM 601 N LYS A 41 19.336 -5.918 1.637 1.00 0.00 N ATOM 602 CA LYS A 41 19.500 -6.532 0.325 1.00 0.00 C ATOM 603 C LYS A 41 19.979 -5.508 -0.699 1.00 0.00 C ATOM 604 O LYS A 41 20.534 -5.866 -1.737 1.00 0.00 O ATOM 605 CB LYS A 41 18.181 -7.153 -0.139 1.00 0.00 C ATOM 606 CG LYS A 41 17.742 -8.343 0.697 1.00 0.00 C ATOM 607 CD LYS A 41 18.591 -9.570 0.410 1.00 0.00 C ATOM 608 CE LYS A 41 17.998 -10.409 -0.711 1.00 0.00 C ATOM 609 NZ LYS A 41 16.643 -10.920 -0.364 1.00 0.00 N ATOM 0 H LYS A 41 18.366 -5.774 1.916 1.00 0.00 H new ATOM 0 HA LYS A 41 20.253 -7.315 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.401 -6.392 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.282 -7.467 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.812 -8.091 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.695 -8.567 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.600 -9.260 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.675 -10.175 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.939 -9.811 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.659 -11.249 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.640 -11.959 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.395 -10.619 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.946 -10.539 -1.035 1.00 0.00 H new ATOM 623 N ASN A 42 19.761 -4.231 -0.399 1.00 0.00 N ATOM 624 CA ASN A 42 20.172 -3.155 -1.294 1.00 0.00 C ATOM 625 C ASN A 42 21.366 -2.397 -0.721 1.00 0.00 C ATOM 626 O ASN A 42 21.231 -1.564 0.176 1.00 0.00 O ATOM 627 CB ASN A 42 19.008 -2.191 -1.533 1.00 0.00 C ATOM 628 CG ASN A 42 17.920 -2.801 -2.395 1.00 0.00 C ATOM 629 OD1 ASN A 42 18.117 -3.038 -3.587 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.764 -3.058 -1.794 1.00 0.00 N ATOM 0 H ASN A 42 19.303 -3.917 0.456 1.00 0.00 H new ATOM 0 HA ASN A 42 20.469 -3.599 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.584 -1.893 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.382 -1.286 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.994 -3.469 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.646 -2.845 -0.804 1.00 0.00 H new ATOM 637 N PRO A 43 22.562 -2.691 -1.250 1.00 0.00 N ATOM 638 CA PRO A 43 23.803 -2.047 -0.807 1.00 0.00 C ATOM 639 C PRO A 43 23.873 -0.580 -1.216 1.00 0.00 C ATOM 640 O PRO A 43 24.145 0.292 -0.391 1.00 0.00 O ATOM 641 CB PRO A 43 24.894 -2.853 -1.517 1.00 0.00 C ATOM 642 CG PRO A 43 24.223 -3.417 -2.722 1.00 0.00 C ATOM 643 CD PRO A 43 22.797 -3.673 -2.321 1.00 0.00 C ATOM 0 HA PRO A 43 23.895 -2.044 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.738 -2.220 -1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.284 -3.643 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.274 -2.720 -3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.709 -4.338 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.112 -3.528 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.656 -4.694 -1.968 1.00 0.00 H new ATOM 651 N ASP A 44 23.626 -0.315 -2.494 1.00 0.00 N ATOM 652 CA ASP A 44 23.659 1.048 -3.012 1.00 0.00 C ATOM 653 C ASP A 44 22.944 2.007 -2.066 1.00 0.00 C ATOM 654 O ASP A 44 23.543 2.953 -1.556 1.00 0.00 O ATOM 655 CB ASP A 44 23.015 1.105 -4.399 1.00 0.00 C ATOM 656 CG ASP A 44 23.903 0.510 -5.474 1.00 0.00 C ATOM 657 OD1 ASP A 44 25.011 1.043 -5.690 1.00 0.00 O ATOM 658 OD2 ASP A 44 23.489 -0.488 -6.100 1.00 0.00 O ATOM 0 H ASP A 44 23.401 -1.026 -3.190 1.00 0.00 H new ATOM 0 HA ASP A 44 24.702 1.355 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.066 0.569 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.790 2.142 -4.650 1.00 0.00 H new ATOM 663 N ASN A 45 21.659 1.756 -1.837 1.00 0.00 N ATOM 664 CA ASN A 45 20.862 2.599 -0.953 1.00 0.00 C ATOM 665 C ASN A 45 20.215 1.769 0.152 1.00 0.00 C ATOM 666 O ASN A 45 19.462 0.833 -0.119 1.00 0.00 O ATOM 667 CB ASN A 45 19.783 3.334 -1.751 1.00 0.00 C ATOM 668 CG ASN A 45 18.498 2.536 -1.859 1.00 0.00 C ATOM 669 OD1 ASN A 45 17.792 2.339 -0.870 1.00 0.00 O ATOM 670 ND2 ASN A 45 18.190 2.073 -3.065 1.00 0.00 N ATOM 0 H ASN A 45 21.148 0.976 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 45 21.526 3.330 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.573 4.292 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.159 3.550 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.338 1.529 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.806 2.261 -3.856 1.00 0.00 H new ATOM 677 N LYS A 46 20.514 2.118 1.399 1.00 0.00 N ATOM 678 CA LYS A 46 19.961 1.408 2.546 1.00 0.00 C ATOM 679 C LYS A 46 18.692 2.090 3.048 1.00 0.00 C ATOM 680 O LYS A 46 17.647 1.455 3.181 1.00 0.00 O ATOM 681 CB LYS A 46 20.994 1.336 3.673 1.00 0.00 C ATOM 682 CG LYS A 46 21.878 0.103 3.610 1.00 0.00 C ATOM 683 CD LYS A 46 23.078 0.322 2.704 1.00 0.00 C ATOM 684 CE LYS A 46 24.252 0.914 3.468 1.00 0.00 C ATOM 685 NZ LYS A 46 25.194 1.634 2.567 1.00 0.00 N ATOM 0 H LYS A 46 21.137 2.889 1.641 1.00 0.00 H new ATOM 0 HA LYS A 46 19.707 0.397 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.623 2.226 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.475 1.352 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.220 -0.152 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.297 -0.744 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.375 -0.626 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.801 0.988 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.881 1.601 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.784 0.118 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.980 2.023 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.568 0.973 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.693 2.410 2.089 1.00 0.00 H new ATOM 699 N GLU A 47 18.792 3.387 3.324 1.00 0.00 N ATOM 700 CA GLU A 47 17.651 4.154 3.810 1.00 0.00 C ATOM 701 C GLU A 47 16.547 4.214 2.758 1.00 0.00 C ATOM 702 O GLU A 47 15.444 3.714 2.972 1.00 0.00 O ATOM 703 CB GLU A 47 18.085 5.570 4.192 1.00 0.00 C ATOM 704 CG GLU A 47 17.014 6.358 4.927 1.00 0.00 C ATOM 705 CD GLU A 47 17.423 7.795 5.188 1.00 0.00 C ATOM 706 OE1 GLU A 47 18.171 8.033 6.159 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.994 8.682 4.420 1.00 0.00 O ATOM 0 H GLU A 47 19.651 3.928 3.219 1.00 0.00 H new ATOM 0 HA GLU A 47 17.259 3.652 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.975 5.511 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.366 6.111 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.094 6.346 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.795 5.868 5.876 1.00 0.00 H new ATOM 714 N GLU A 48 16.855 4.831 1.621 1.00 0.00 N ATOM 715 CA GLU A 48 15.889 4.959 0.536 1.00 0.00 C ATOM 716 C GLU A 48 15.021 3.708 0.431 1.00 0.00 C ATOM 717 O GLU A 48 13.805 3.796 0.264 1.00 0.00 O ATOM 718 CB GLU A 48 16.609 5.206 -0.791 1.00 0.00 C ATOM 719 CG GLU A 48 15.702 5.101 -2.005 1.00 0.00 C ATOM 720 CD GLU A 48 16.319 5.707 -3.250 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.478 6.945 -3.290 1.00 0.00 O ATOM 722 OE2 GLU A 48 16.644 4.944 -4.184 1.00 0.00 O ATOM 0 H GLU A 48 17.765 5.250 1.428 1.00 0.00 H new ATOM 0 HA GLU A 48 15.245 5.810 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.061 6.198 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.422 4.487 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.472 4.052 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.757 5.601 -1.792 1.00 0.00 H new ATOM 729 N ALA A 49 15.655 2.544 0.529 1.00 0.00 N ATOM 730 CA ALA A 49 14.942 1.276 0.447 1.00 0.00 C ATOM 731 C ALA A 49 14.064 1.059 1.675 1.00 0.00 C ATOM 732 O ALA A 49 12.886 0.724 1.555 1.00 0.00 O ATOM 733 CB ALA A 49 15.926 0.126 0.289 1.00 0.00 C ATOM 0 H ALA A 49 16.662 2.453 0.665 1.00 0.00 H new ATOM 0 HA ALA A 49 14.294 1.308 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.379 -0.815 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.507 0.267 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.598 0.101 1.147 1.00 0.00 H new ATOM 739 N GLU A 50 14.646 1.252 2.854 1.00 0.00 N ATOM 740 CA GLU A 50 13.915 1.075 4.104 1.00 0.00 C ATOM 741 C GLU A 50 12.547 1.747 4.033 1.00 0.00 C ATOM 742 O GLU A 50 11.546 1.192 4.485 1.00 0.00 O ATOM 743 CB GLU A 50 14.717 1.648 5.274 1.00 0.00 C ATOM 744 CG GLU A 50 14.424 0.969 6.602 1.00 0.00 C ATOM 745 CD GLU A 50 15.307 1.479 7.725 1.00 0.00 C ATOM 746 OE1 GLU A 50 15.335 2.707 7.947 1.00 0.00 O ATOM 747 OE2 GLU A 50 15.969 0.648 8.382 1.00 0.00 O ATOM 0 H GLU A 50 15.620 1.531 2.970 1.00 0.00 H new ATOM 0 HA GLU A 50 13.768 0.007 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.781 1.555 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.502 2.713 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.379 1.130 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.564 -0.107 6.495 1.00 0.00 H new ATOM 754 N LYS A 51 12.512 2.947 3.464 1.00 0.00 N ATOM 755 CA LYS A 51 11.269 3.697 3.333 1.00 0.00 C ATOM 756 C LYS A 51 10.204 2.865 2.626 1.00 0.00 C ATOM 757 O LYS A 51 9.112 2.655 3.155 1.00 0.00 O ATOM 758 CB LYS A 51 11.511 4.996 2.562 1.00 0.00 C ATOM 759 CG LYS A 51 10.237 5.755 2.233 1.00 0.00 C ATOM 760 CD LYS A 51 9.528 6.226 3.491 1.00 0.00 C ATOM 761 CE LYS A 51 8.365 7.150 3.163 1.00 0.00 C ATOM 762 NZ LYS A 51 7.135 6.390 2.809 1.00 0.00 N ATOM 0 H LYS A 51 13.332 3.422 3.086 1.00 0.00 H new ATOM 0 HA LYS A 51 10.912 3.938 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.166 5.640 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.036 4.766 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.476 6.614 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.570 5.115 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.163 5.364 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.236 6.746 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.160 7.794 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.641 7.801 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.366 7.056 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.322 5.795 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.856 5.788 3.610 1.00 0.00 H new ATOM 776 N LYS A 52 10.529 2.391 1.428 1.00 0.00 N ATOM 777 CA LYS A 52 9.602 1.579 0.648 1.00 0.00 C ATOM 778 C LYS A 52 9.058 0.423 1.482 1.00 0.00 C ATOM 779 O LYS A 52 7.876 0.089 1.402 1.00 0.00 O ATOM 780 CB LYS A 52 10.295 1.037 -0.604 1.00 0.00 C ATOM 781 CG LYS A 52 10.732 2.120 -1.575 1.00 0.00 C ATOM 782 CD LYS A 52 9.638 2.442 -2.580 1.00 0.00 C ATOM 783 CE LYS A 52 10.059 3.558 -3.523 1.00 0.00 C ATOM 784 NZ LYS A 52 8.960 3.944 -4.450 1.00 0.00 N ATOM 0 H LYS A 52 11.428 2.555 0.976 1.00 0.00 H new ATOM 0 HA LYS A 52 8.767 2.212 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.167 0.457 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.618 0.353 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.996 3.021 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.629 1.796 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.397 1.549 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.731 2.734 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.367 4.428 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.926 3.238 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.286 4.707 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.683 3.121 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.141 4.274 -3.900 1.00 0.00 H new ATOM 798 N PHE A 53 9.928 -0.184 2.283 1.00 0.00 N ATOM 799 CA PHE A 53 9.534 -1.302 3.132 1.00 0.00 C ATOM 800 C PHE A 53 8.309 -0.945 3.969 1.00 0.00 C ATOM 801 O PHE A 53 7.406 -1.761 4.149 1.00 0.00 O ATOM 802 CB PHE A 53 10.691 -1.707 4.047 1.00 0.00 C ATOM 803 CG PHE A 53 10.560 -3.097 4.600 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.777 -3.342 5.716 1.00 0.00 C ATOM 805 CD2 PHE A 53 11.220 -4.159 4.003 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.654 -4.621 6.227 1.00 0.00 C ATOM 807 CE2 PHE A 53 11.100 -5.440 4.510 1.00 0.00 C ATOM 808 CZ PHE A 53 10.317 -5.671 5.624 1.00 0.00 C ATOM 0 H PHE A 53 10.910 0.080 2.362 1.00 0.00 H new ATOM 0 HA PHE A 53 9.278 -2.143 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.626 -1.632 3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.754 -1.000 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.256 -2.525 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.835 -3.984 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.040 -4.798 7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.618 -6.260 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.224 -6.671 6.022 1.00 0.00 H new ATOM 818 N LYS A 54 8.287 0.282 4.479 1.00 0.00 N ATOM 819 CA LYS A 54 7.174 0.751 5.297 1.00 0.00 C ATOM 820 C LYS A 54 5.895 0.846 4.472 1.00 0.00 C ATOM 821 O LYS A 54 4.805 0.542 4.959 1.00 0.00 O ATOM 822 CB LYS A 54 7.503 2.114 5.908 1.00 0.00 C ATOM 823 CG LYS A 54 6.598 2.496 7.067 1.00 0.00 C ATOM 824 CD LYS A 54 7.059 3.779 7.736 1.00 0.00 C ATOM 825 CE LYS A 54 6.472 5.006 7.054 1.00 0.00 C ATOM 826 NZ LYS A 54 4.997 5.089 7.237 1.00 0.00 N ATOM 0 H LYS A 54 9.027 0.970 4.340 1.00 0.00 H new ATOM 0 HA LYS A 54 7.015 0.030 6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.537 2.108 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.429 2.877 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.577 2.619 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.582 1.688 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.765 3.769 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.147 3.833 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.939 5.904 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.705 4.976 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.688 6.075 7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.525 4.492 6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.746 4.758 8.191 1.00 0.00 H new ATOM 840 N LEU A 55 6.034 1.270 3.221 1.00 0.00 N ATOM 841 CA LEU A 55 4.889 1.404 2.327 1.00 0.00 C ATOM 842 C LEU A 55 4.242 0.048 2.063 1.00 0.00 C ATOM 843 O LEU A 55 3.031 -0.115 2.220 1.00 0.00 O ATOM 844 CB LEU A 55 5.320 2.041 1.005 1.00 0.00 C ATOM 845 CG LEU A 55 5.292 3.570 0.956 1.00 0.00 C ATOM 846 CD1 LEU A 55 6.275 4.089 -0.082 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.885 4.067 0.656 1.00 0.00 C ATOM 0 H LEU A 55 6.928 1.527 2.803 1.00 0.00 H new ATOM 0 HA LEU A 55 4.155 2.048 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.333 1.709 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.674 1.660 0.214 1.00 0.00 H new ATOM 0 HG LEU A 55 5.591 3.952 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.241 5.178 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.282 3.762 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.007 3.699 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.883 5.157 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.559 3.676 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.204 3.725 1.436 1.00 0.00 H new ATOM 859 N VAL A 56 5.057 -0.923 1.664 1.00 0.00 N ATOM 860 CA VAL A 56 4.564 -2.266 1.382 1.00 0.00 C ATOM 861 C VAL A 56 3.908 -2.881 2.613 1.00 0.00 C ATOM 862 O VAL A 56 2.949 -3.644 2.502 1.00 0.00 O ATOM 863 CB VAL A 56 5.699 -3.191 0.903 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.746 -3.361 1.994 1.00 0.00 C ATOM 865 CG2 VAL A 56 5.142 -4.539 0.473 1.00 0.00 C ATOM 0 H VAL A 56 6.061 -0.805 1.529 1.00 0.00 H new ATOM 0 HA VAL A 56 3.823 -2.171 0.589 1.00 0.00 H new ATOM 0 HB VAL A 56 6.180 -2.730 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.540 -4.018 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.167 -2.388 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.283 -3.799 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.958 -5.180 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.635 -5.009 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.434 -4.396 -0.343 1.00 0.00 H new ATOM 875 N SER A 57 4.431 -2.542 3.787 1.00 0.00 N ATOM 876 CA SER A 57 3.899 -3.063 5.041 1.00 0.00 C ATOM 877 C SER A 57 2.585 -2.376 5.400 1.00 0.00 C ATOM 878 O SER A 57 1.622 -3.028 5.804 1.00 0.00 O ATOM 879 CB SER A 57 4.913 -2.870 6.170 1.00 0.00 C ATOM 880 OG SER A 57 4.555 -3.630 7.312 1.00 0.00 O ATOM 0 H SER A 57 5.223 -1.909 3.896 1.00 0.00 H new ATOM 0 HA SER A 57 3.709 -4.129 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.904 -3.167 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.970 -1.814 6.435 1.00 0.00 H new ATOM 0 HG SER A 57 5.219 -3.491 8.019 1.00 0.00 H new ATOM 886 N GLU A 58 2.554 -1.056 5.249 1.00 0.00 N ATOM 887 CA GLU A 58 1.358 -0.280 5.558 1.00 0.00 C ATOM 888 C GLU A 58 0.204 -0.669 4.638 1.00 0.00 C ATOM 889 O GLU A 58 -0.855 -1.093 5.098 1.00 0.00 O ATOM 890 CB GLU A 58 1.647 1.217 5.428 1.00 0.00 C ATOM 891 CG GLU A 58 0.515 2.100 5.925 1.00 0.00 C ATOM 892 CD GLU A 58 0.508 2.244 7.435 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.960 1.303 8.122 1.00 0.00 O ATOM 894 OE2 GLU A 58 0.051 3.295 7.930 1.00 0.00 O ATOM 0 H GLU A 58 3.342 -0.502 4.915 1.00 0.00 H new ATOM 0 HA GLU A 58 1.069 -0.499 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.553 1.453 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.847 1.451 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.602 3.087 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.437 1.682 5.599 1.00 0.00 H new ATOM 901 N ALA A 59 0.419 -0.520 3.335 1.00 0.00 N ATOM 902 CA ALA A 59 -0.601 -0.856 2.349 1.00 0.00 C ATOM 903 C ALA A 59 -1.047 -2.308 2.494 1.00 0.00 C ATOM 904 O ALA A 59 -2.240 -2.594 2.587 1.00 0.00 O ATOM 905 CB ALA A 59 -0.082 -0.599 0.943 1.00 0.00 C ATOM 0 H ALA A 59 1.290 -0.169 2.938 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.467 -0.218 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.854 -0.854 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.180 0.454 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.801 -1.212 0.763 1.00 0.00 H new ATOM 911 N TYR A 60 -0.080 -3.219 2.510 1.00 0.00 N ATOM 912 CA TYR A 60 -0.374 -4.641 2.640 1.00 0.00 C ATOM 913 C TYR A 60 -1.491 -4.877 3.651 1.00 0.00 C ATOM 914 O TYR A 60 -2.333 -5.755 3.468 1.00 0.00 O ATOM 915 CB TYR A 60 0.882 -5.406 3.063 1.00 0.00 C ATOM 916 CG TYR A 60 0.589 -6.744 3.703 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.296 -7.639 3.115 1.00 0.00 C ATOM 918 CD2 TYR A 60 1.197 -7.113 4.897 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.567 -8.862 3.697 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.933 -8.335 5.485 1.00 0.00 C ATOM 921 CZ TYR A 60 0.050 -9.206 4.881 1.00 0.00 C ATOM 922 OH TYR A 60 -0.217 -10.423 5.464 1.00 0.00 O ATOM 0 H TYR A 60 0.913 -2.998 2.435 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.705 -5.007 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.514 -5.561 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.451 -4.795 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.780 -7.374 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.888 -6.433 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.259 -9.545 3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.415 -8.607 6.412 1.00 0.00 H new ATOM 0 HH TYR A 60 0.300 -10.509 6.292 1.00 0.00 H new ATOM 932 N GLU A 61 -1.491 -4.086 4.719 1.00 0.00 N ATOM 933 CA GLU A 61 -2.504 -4.208 5.761 1.00 0.00 C ATOM 934 C GLU A 61 -3.805 -3.531 5.336 1.00 0.00 C ATOM 935 O GLU A 61 -4.891 -4.084 5.509 1.00 0.00 O ATOM 936 CB GLU A 61 -2.000 -3.594 7.069 1.00 0.00 C ATOM 937 CG GLU A 61 -0.886 -4.392 7.725 1.00 0.00 C ATOM 938 CD GLU A 61 -1.323 -5.790 8.117 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.524 -6.625 7.210 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.464 -6.051 9.330 1.00 0.00 O ATOM 0 H GLU A 61 -0.801 -3.354 4.886 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.700 -5.268 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.644 -2.583 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.834 -3.509 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.040 -4.458 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.538 -3.862 8.612 1.00 0.00 H new ATOM 947 N VAL A 62 -3.685 -2.330 4.780 1.00 0.00 N ATOM 948 CA VAL A 62 -4.850 -1.577 4.330 1.00 0.00 C ATOM 949 C VAL A 62 -5.810 -2.465 3.546 1.00 0.00 C ATOM 950 O VAL A 62 -7.029 -2.338 3.666 1.00 0.00 O ATOM 951 CB VAL A 62 -4.440 -0.381 3.451 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.669 0.314 2.886 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.583 0.594 4.244 1.00 0.00 C ATOM 0 H VAL A 62 -2.793 -1.858 4.630 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.351 -1.206 5.224 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.847 -0.754 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.359 1.156 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.239 -0.390 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.292 0.675 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.302 1.433 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.148 0.962 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.684 0.087 4.593 1.00 0.00 H new ATOM 963 N LEU A 63 -5.252 -3.365 2.744 1.00 0.00 N ATOM 964 CA LEU A 63 -6.058 -4.276 1.939 1.00 0.00 C ATOM 965 C LEU A 63 -6.404 -5.536 2.726 1.00 0.00 C ATOM 966 O LEU A 63 -7.555 -5.973 2.743 1.00 0.00 O ATOM 967 CB LEU A 63 -5.313 -4.650 0.656 1.00 0.00 C ATOM 968 CG LEU A 63 -4.895 -3.485 -0.241 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.624 -3.828 -1.003 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.016 -3.125 -1.205 1.00 0.00 C ATOM 0 H LEU A 63 -4.245 -3.483 2.634 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.986 -3.767 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.419 -5.211 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.945 -5.321 0.075 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.694 -2.619 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.341 -2.987 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.821 -4.036 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.798 -4.707 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.701 -2.294 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.249 -3.987 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.903 -2.836 -0.641 1.00 0.00 H new ATOM 982 N SER A 64 -5.401 -6.115 3.378 1.00 0.00 N ATOM 983 CA SER A 64 -5.599 -7.326 4.165 1.00 0.00 C ATOM 984 C SER A 64 -6.806 -7.183 5.087 1.00 0.00 C ATOM 985 O SER A 64 -7.594 -8.116 5.245 1.00 0.00 O ATOM 986 CB SER A 64 -4.347 -7.634 4.990 1.00 0.00 C ATOM 987 OG SER A 64 -4.297 -6.833 6.158 1.00 0.00 O ATOM 0 H SER A 64 -4.443 -5.765 3.377 1.00 0.00 H new ATOM 0 HA SER A 64 -5.784 -8.151 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.341 -8.688 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.457 -7.458 4.386 1.00 0.00 H new ATOM 0 HG SER A 64 -4.546 -5.912 5.934 1.00 0.00 H new ATOM 993 N ASP A 65 -6.944 -6.009 5.693 1.00 0.00 N ATOM 994 CA ASP A 65 -8.056 -5.742 6.599 1.00 0.00 C ATOM 995 C ASP A 65 -9.363 -5.593 5.826 1.00 0.00 C ATOM 996 O ASP A 65 -9.359 -5.273 4.637 1.00 0.00 O ATOM 997 CB ASP A 65 -7.784 -4.477 7.414 1.00 0.00 C ATOM 998 CG ASP A 65 -6.826 -4.724 8.564 1.00 0.00 C ATOM 999 OD1 ASP A 65 -6.997 -5.740 9.270 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -5.907 -3.901 8.757 1.00 0.00 O ATOM 0 H ASP A 65 -6.300 -5.227 5.574 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.151 -6.589 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.372 -3.709 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.725 -4.091 7.805 1.00 0.00 H new ATOM 1005 N SER A 66 -10.478 -5.829 6.509 1.00 0.00 N ATOM 1006 CA SER A 66 -11.792 -5.726 5.885 1.00 0.00 C ATOM 1007 C SER A 66 -12.352 -4.314 6.027 1.00 0.00 C ATOM 1008 O SER A 66 -12.912 -3.757 5.082 1.00 0.00 O ATOM 1009 CB SER A 66 -12.758 -6.734 6.511 1.00 0.00 C ATOM 1010 OG SER A 66 -12.901 -6.507 7.903 1.00 0.00 O ATOM 0 H SER A 66 -10.498 -6.093 7.494 1.00 0.00 H new ATOM 0 HA SER A 66 -11.681 -5.950 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.731 -6.660 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.393 -7.747 6.340 1.00 0.00 H new ATOM 0 HG SER A 66 -13.525 -7.163 8.279 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.195 -3.739 7.214 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.682 -2.391 7.482 1.00 0.00 C ATOM 1018 C LYS A 67 -11.907 -1.360 6.668 1.00 0.00 C ATOM 1019 O LYS A 67 -12.480 -0.395 6.162 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.565 -2.071 8.974 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.139 -2.117 9.496 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.016 -1.430 10.845 1.00 0.00 C ATOM 1023 CE LYS A 67 -9.577 -1.037 11.141 1.00 0.00 C ATOM 1024 NZ LYS A 67 -9.396 -0.622 12.560 1.00 0.00 N ATOM 0 H LYS A 67 -11.734 -4.186 8.007 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.731 -2.346 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.978 -1.079 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.172 -2.779 9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.816 -3.154 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.473 -1.636 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.648 -0.542 10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.381 -2.095 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.919 -1.877 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.281 -0.220 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.402 -0.362 12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.005 0.196 12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.654 -1.410 13.188 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.601 -1.571 6.545 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.746 -0.663 5.790 1.00 0.00 C ATOM 1040 C LYS A 68 -9.943 -0.852 4.289 1.00 0.00 C ATOM 1041 O LYS A 68 -10.153 0.114 3.555 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.277 -0.890 6.155 1.00 0.00 C ATOM 1043 CG LYS A 68 -7.868 -0.238 7.464 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.371 -0.349 7.698 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.016 -0.108 9.157 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.561 0.152 9.338 1.00 0.00 N ATOM 0 H LYS A 68 -10.111 -2.364 6.959 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.025 0.358 6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.088 -1.962 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.648 -0.502 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.159 0.812 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.402 -0.709 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.027 -1.339 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.849 0.374 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.586 0.741 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.306 -0.976 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.360 0.311 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.017 -0.668 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.289 0.995 8.793 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.876 -2.101 3.841 1.00 0.00 N ATOM 1061 CA ARG A 69 -10.048 -2.415 2.427 1.00 0.00 C ATOM 1062 C ARG A 69 -11.347 -1.821 1.892 1.00 0.00 C ATOM 1063 O ARG A 69 -11.343 -1.075 0.912 1.00 0.00 O ATOM 1064 CB ARG A 69 -10.043 -3.930 2.216 1.00 0.00 C ATOM 1065 CG ARG A 69 -10.110 -4.342 0.754 1.00 0.00 C ATOM 1066 CD ARG A 69 -8.721 -4.500 0.155 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.769 -5.017 -1.210 1.00 0.00 N ATOM 1068 CZ ARG A 69 -9.052 -6.280 -1.507 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.311 -7.150 -0.541 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -9.077 -6.675 -2.774 1.00 0.00 N ATOM 0 H ARG A 69 -9.704 -2.912 4.436 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.215 -1.975 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.140 -4.347 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.890 -4.365 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.655 -5.282 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.668 -3.595 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.212 -3.536 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.132 -5.174 0.777 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.575 -4.373 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.293 -6.850 0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.528 -8.119 -0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.879 -6.008 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.294 -7.645 -3.002 1.00 0.00 H new ATOM 1084 N SER A 70 -12.457 -2.157 2.541 1.00 0.00 N ATOM 1085 CA SER A 70 -13.764 -1.660 2.127 1.00 0.00 C ATOM 1086 C SER A 70 -13.769 -0.136 2.058 1.00 0.00 C ATOM 1087 O SER A 70 -14.194 0.451 1.062 1.00 0.00 O ATOM 1088 CB SER A 70 -14.846 -2.141 3.096 1.00 0.00 C ATOM 1089 OG SER A 70 -15.341 -3.413 2.717 1.00 0.00 O ATOM 0 H SER A 70 -12.478 -2.771 3.355 1.00 0.00 H new ATOM 0 HA SER A 70 -13.976 -2.052 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.438 -2.192 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.664 -1.421 3.119 1.00 0.00 H new ATOM 0 HG SER A 70 -16.030 -3.699 3.353 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.294 0.500 3.123 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.243 1.957 3.185 1.00 0.00 C ATOM 1097 C LEU A 71 -12.464 2.525 2.004 1.00 0.00 C ATOM 1098 O LEU A 71 -12.929 3.439 1.323 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.601 2.408 4.498 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.468 2.275 5.751 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.601 2.234 6.999 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.468 3.419 5.831 1.00 0.00 C ATOM 0 H LEU A 71 -12.939 0.030 3.956 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.264 2.335 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.688 1.832 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.305 3.452 4.395 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.022 1.338 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.236 2.139 7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.925 1.380 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.019 3.153 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.076 3.308 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.933 4.368 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.112 3.402 4.952 1.00 0.00 H new