USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 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 : amide:sc=-0.00772 X(o=-0.0077,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.286 USER MOD Single : A 18 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.2!) 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+ -117:sc= -3.1! (180deg=-6.66!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -125:sc=-0.00514 (180deg=-0.502) USER MOD Single : A 38 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-8.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.575 K(o=0.57,f=-0.00097) USER MOD Single : A 45 ASN : amide:sc= -0.829 K(o=-0.83,f=-2.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= -0.891 (180deg=-1.16) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0351 (180deg=-0.252) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 83:sc= 0.81 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -48:sc= 0.152 USER MOD Single : A 66 SER OG : rot 180:sc= 0 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 87:sc= 0.0465 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -0.576 4.497 -4.248 1.00 0.00 N ATOM 94 CA ASN A 10 -1.725 3.607 -4.369 1.00 0.00 C ATOM 95 C ASN A 10 -1.411 2.232 -3.787 1.00 0.00 C ATOM 96 O ASN A 10 -0.689 1.439 -4.394 1.00 0.00 O ATOM 97 CB ASN A 10 -2.138 3.470 -5.836 1.00 0.00 C ATOM 98 CG ASN A 10 -2.090 4.793 -6.576 1.00 0.00 C ATOM 99 OD1 ASN A 10 -3.062 5.547 -6.585 1.00 0.00 O ATOM 100 ND2 ASN A 10 -0.954 5.080 -7.201 1.00 0.00 N ATOM 0 HA ASN A 10 -2.551 4.041 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.480 2.756 -6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.148 3.063 -5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.862 5.956 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.173 4.424 -7.167 1.00 0.00 H new ATOM 107 N TYR A 11 -1.958 1.955 -2.609 1.00 0.00 N ATOM 108 CA TYR A 11 -1.735 0.677 -1.944 1.00 0.00 C ATOM 109 C TYR A 11 -1.681 -0.462 -2.957 1.00 0.00 C ATOM 110 O TYR A 11 -0.755 -1.273 -2.948 1.00 0.00 O ATOM 111 CB TYR A 11 -2.840 0.412 -0.919 1.00 0.00 C ATOM 112 CG TYR A 11 -2.948 1.480 0.145 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.814 1.986 0.768 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.185 1.986 0.526 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.909 2.962 1.741 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.290 2.963 1.497 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.148 3.447 2.102 1.00 0.00 C ATOM 118 OH TYR A 11 -3.247 4.420 3.070 1.00 0.00 O ATOM 0 H TYR A 11 -2.559 2.599 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.776 0.726 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.795 0.331 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.656 -0.549 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.841 1.610 0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.080 1.609 0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.017 3.343 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.259 3.345 1.781 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.189 4.652 3.205 1.00 0.00 H new ATOM 128 N TYR A 12 -2.681 -0.517 -3.829 1.00 0.00 N ATOM 129 CA TYR A 12 -2.751 -1.557 -4.849 1.00 0.00 C ATOM 130 C TYR A 12 -1.484 -1.572 -5.699 1.00 0.00 C ATOM 131 O TYR A 12 -0.896 -2.626 -5.936 1.00 0.00 O ATOM 132 CB TYR A 12 -3.975 -1.345 -5.741 1.00 0.00 C ATOM 133 CG TYR A 12 -5.286 -1.651 -5.054 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.673 -2.963 -4.807 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.138 -0.630 -4.652 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.871 -3.248 -4.179 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.336 -0.906 -4.023 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.698 -2.216 -3.789 1.00 0.00 C ATOM 139 OH TYR A 12 -8.892 -2.495 -3.164 1.00 0.00 O ATOM 0 H TYR A 12 -3.455 0.147 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.840 -2.519 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.988 -0.311 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.883 -1.975 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.027 -3.773 -5.111 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.859 0.397 -4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.157 -4.273 -3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.986 -0.100 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.355 -1.657 -2.954 1.00 0.00 H new ATOM 149 N GLU A 13 -1.071 -0.393 -6.154 1.00 0.00 N ATOM 150 CA GLU A 13 0.126 -0.270 -6.978 1.00 0.00 C ATOM 151 C GLU A 13 1.372 -0.665 -6.190 1.00 0.00 C ATOM 152 O GLU A 13 2.178 -1.476 -6.646 1.00 0.00 O ATOM 153 CB GLU A 13 0.270 1.163 -7.496 1.00 0.00 C ATOM 154 CG GLU A 13 -0.853 1.589 -8.427 1.00 0.00 C ATOM 155 CD GLU A 13 -0.926 0.740 -9.681 1.00 0.00 C ATOM 156 OE1 GLU A 13 -0.260 1.094 -10.677 1.00 0.00 O ATOM 157 OE2 GLU A 13 -1.648 -0.278 -9.666 1.00 0.00 O ATOM 0 H GLU A 13 -1.547 0.489 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 13 0.024 -0.947 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.305 1.846 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.221 1.257 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.803 1.528 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.711 2.633 -8.707 1.00 0.00 H new ATOM 164 N VAL A 14 1.524 -0.084 -5.004 1.00 0.00 N ATOM 165 CA VAL A 14 2.670 -0.375 -4.151 1.00 0.00 C ATOM 166 C VAL A 14 2.949 -1.873 -4.098 1.00 0.00 C ATOM 167 O VAL A 14 4.080 -2.313 -4.313 1.00 0.00 O ATOM 168 CB VAL A 14 2.451 0.147 -2.719 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.605 -0.267 -1.817 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.282 1.658 -2.723 1.00 0.00 C ATOM 0 H VAL A 14 0.868 0.591 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 14 3.528 0.136 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 14 1.537 -0.297 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.433 0.111 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.674 -1.355 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.536 0.146 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.128 2.010 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.177 2.123 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.419 1.926 -3.333 1.00 0.00 H new ATOM 180 N LEU A 15 1.913 -2.652 -3.810 1.00 0.00 N ATOM 181 CA LEU A 15 2.046 -4.103 -3.729 1.00 0.00 C ATOM 182 C LEU A 15 2.116 -4.722 -5.121 1.00 0.00 C ATOM 183 O LEU A 15 2.908 -5.631 -5.368 1.00 0.00 O ATOM 184 CB LEU A 15 0.871 -4.699 -2.952 1.00 0.00 C ATOM 185 CG LEU A 15 0.925 -4.548 -1.432 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.465 -4.683 -0.831 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.871 -5.576 -0.827 1.00 0.00 C ATOM 0 H LEU A 15 0.972 -2.304 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 15 2.974 -4.330 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.048 -4.235 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.806 -5.761 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 15 1.304 -3.553 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.406 -4.573 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.115 -3.909 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.873 -5.664 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.897 -5.454 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.522 -6.579 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.872 -5.432 -1.233 1.00 0.00 H new ATOM 199 N GLY A 16 1.284 -4.221 -6.029 1.00 0.00 N ATOM 200 CA GLY A 16 1.270 -4.736 -7.386 1.00 0.00 C ATOM 201 C GLY A 16 0.190 -5.777 -7.600 1.00 0.00 C ATOM 202 O GLY A 16 0.443 -6.837 -8.173 1.00 0.00 O ATOM 0 H GLY A 16 0.620 -3.468 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.119 -3.911 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.242 -5.173 -7.616 1.00 0.00 H new ATOM 206 N VAL A 17 -1.020 -5.477 -7.137 1.00 0.00 N ATOM 207 CA VAL A 17 -2.143 -6.396 -7.279 1.00 0.00 C ATOM 208 C VAL A 17 -3.372 -5.679 -7.827 1.00 0.00 C ATOM 209 O VAL A 17 -3.358 -4.465 -8.024 1.00 0.00 O ATOM 210 CB VAL A 17 -2.503 -7.056 -5.935 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.326 -7.859 -5.403 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.941 -6.004 -4.926 1.00 0.00 C ATOM 0 H VAL A 17 -1.247 -4.604 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.833 -7.169 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.336 -7.741 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.599 -8.318 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.063 -8.637 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.472 -7.198 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.192 -6.488 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.130 -5.294 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.815 -5.476 -5.307 1.00 0.00 H new ATOM 222 N GLN A 18 -4.435 -6.440 -8.069 1.00 0.00 N ATOM 223 CA GLN A 18 -5.673 -5.878 -8.593 1.00 0.00 C ATOM 224 C GLN A 18 -6.648 -5.558 -7.464 1.00 0.00 C ATOM 225 O GLN A 18 -6.447 -5.971 -6.323 1.00 0.00 O ATOM 226 CB GLN A 18 -6.321 -6.849 -9.582 1.00 0.00 C ATOM 227 CG GLN A 18 -5.421 -7.216 -10.751 1.00 0.00 C ATOM 228 CD GLN A 18 -5.305 -6.101 -11.772 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.189 -5.251 -11.883 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.210 -6.098 -12.524 1.00 0.00 N ATOM 0 H GLN A 18 -4.463 -7.447 -7.910 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.429 -4.951 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.604 -7.759 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.239 -6.405 -9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.428 -7.465 -10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.811 -8.110 -11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.503 -6.822 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.076 -5.372 -13.227 1.00 0.00 H new ATOM 239 N ALA A 19 -7.703 -4.820 -7.792 1.00 0.00 N ATOM 240 CA ALA A 19 -8.710 -4.447 -6.805 1.00 0.00 C ATOM 241 C ALA A 19 -9.547 -5.653 -6.392 1.00 0.00 C ATOM 242 O ALA A 19 -10.017 -5.735 -5.257 1.00 0.00 O ATOM 243 CB ALA A 19 -9.603 -3.344 -7.354 1.00 0.00 C ATOM 0 H ALA A 19 -7.883 -4.469 -8.732 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.195 -4.075 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.350 -3.075 -6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.997 -2.470 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.103 -3.696 -8.257 1.00 0.00 H new ATOM 249 N SER A 20 -9.732 -6.586 -7.321 1.00 0.00 N ATOM 250 CA SER A 20 -10.517 -7.785 -7.055 1.00 0.00 C ATOM 251 C SER A 20 -9.608 -8.986 -6.810 1.00 0.00 C ATOM 252 O SER A 20 -10.043 -10.134 -6.892 1.00 0.00 O ATOM 253 CB SER A 20 -11.459 -8.074 -8.225 1.00 0.00 C ATOM 254 OG SER A 20 -12.691 -7.391 -8.069 1.00 0.00 O ATOM 0 H SER A 20 -9.349 -6.534 -8.265 1.00 0.00 H new ATOM 0 HA SER A 20 -11.109 -7.610 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.987 -7.770 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.640 -9.147 -8.293 1.00 0.00 H new ATOM 0 HG SER A 20 -13.275 -7.591 -8.831 1.00 0.00 H new ATOM 260 N ALA A 21 -8.343 -8.711 -6.509 1.00 0.00 N ATOM 261 CA ALA A 21 -7.373 -9.768 -6.250 1.00 0.00 C ATOM 262 C ALA A 21 -7.712 -10.523 -4.969 1.00 0.00 C ATOM 263 O ALA A 21 -8.398 -9.999 -4.091 1.00 0.00 O ATOM 264 CB ALA A 21 -5.969 -9.186 -6.166 1.00 0.00 C ATOM 0 H ALA A 21 -7.966 -7.766 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.413 -10.475 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.254 -9.986 -5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.720 -8.698 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.925 -8.457 -5.357 1.00 0.00 H new ATOM 270 N SER A 22 -7.228 -11.757 -4.869 1.00 0.00 N ATOM 271 CA SER A 22 -7.484 -12.585 -3.697 1.00 0.00 C ATOM 272 C SER A 22 -6.668 -12.102 -2.501 1.00 0.00 C ATOM 273 O SER A 22 -5.614 -11.483 -2.646 1.00 0.00 O ATOM 274 CB SER A 22 -7.151 -14.048 -3.998 1.00 0.00 C ATOM 275 OG SER A 22 -7.999 -14.566 -5.008 1.00 0.00 O ATOM 0 H SER A 22 -6.657 -12.205 -5.585 1.00 0.00 H new ATOM 0 HA SER A 22 -8.542 -12.503 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.111 -14.130 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.256 -14.642 -3.090 1.00 0.00 H new ATOM 0 HG SER A 22 -7.765 -15.501 -5.183 1.00 0.00 H new ATOM 281 N PRO A 23 -7.166 -12.392 -1.290 1.00 0.00 N ATOM 282 CA PRO A 23 -6.501 -11.998 -0.045 1.00 0.00 C ATOM 283 C PRO A 23 -5.210 -12.773 0.193 1.00 0.00 C ATOM 284 O PRO A 23 -4.398 -12.400 1.039 1.00 0.00 O ATOM 285 CB PRO A 23 -7.534 -12.336 1.032 1.00 0.00 C ATOM 286 CG PRO A 23 -8.367 -13.416 0.432 1.00 0.00 C ATOM 287 CD PRO A 23 -8.418 -13.128 -1.043 1.00 0.00 C ATOM 0 HA PRO A 23 -6.205 -10.949 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.053 -12.671 1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.138 -11.466 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.931 -14.397 0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.368 -13.422 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.468 -14.045 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.293 -12.533 -1.306 1.00 0.00 H new ATOM 295 N GLU A 24 -5.026 -13.853 -0.560 1.00 0.00 N ATOM 296 CA GLU A 24 -3.832 -14.681 -0.430 1.00 0.00 C ATOM 297 C GLU A 24 -2.746 -14.227 -1.401 1.00 0.00 C ATOM 298 O GLU A 24 -1.558 -14.442 -1.164 1.00 0.00 O ATOM 299 CB GLU A 24 -4.174 -16.151 -0.681 1.00 0.00 C ATOM 300 CG GLU A 24 -4.757 -16.413 -2.059 1.00 0.00 C ATOM 301 CD GLU A 24 -5.582 -17.685 -2.112 1.00 0.00 C ATOM 302 OE1 GLU A 24 -6.422 -17.885 -1.210 1.00 0.00 O ATOM 303 OE2 GLU A 24 -5.387 -18.479 -3.055 1.00 0.00 O ATOM 0 H GLU A 24 -5.688 -14.175 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.454 -14.572 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.273 -16.751 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.885 -16.484 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.380 -15.568 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.947 -16.479 -2.785 1.00 0.00 H new ATOM 310 N ASP A 25 -3.164 -13.598 -2.494 1.00 0.00 N ATOM 311 CA ASP A 25 -2.228 -13.112 -3.501 1.00 0.00 C ATOM 312 C ASP A 25 -1.566 -11.815 -3.047 1.00 0.00 C ATOM 313 O ASP A 25 -0.432 -11.521 -3.426 1.00 0.00 O ATOM 314 CB ASP A 25 -2.948 -12.893 -4.833 1.00 0.00 C ATOM 315 CG ASP A 25 -2.914 -14.123 -5.719 1.00 0.00 C ATOM 316 OD1 ASP A 25 -3.605 -15.110 -5.389 1.00 0.00 O ATOM 317 OD2 ASP A 25 -2.199 -14.098 -6.741 1.00 0.00 O ATOM 0 H ASP A 25 -4.145 -13.413 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.453 -13.866 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.985 -12.616 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.487 -12.057 -5.359 1.00 0.00 H new ATOM 322 N ILE A 26 -2.281 -11.044 -2.235 1.00 0.00 N ATOM 323 CA ILE A 26 -1.762 -9.779 -1.730 1.00 0.00 C ATOM 324 C ILE A 26 -0.756 -10.007 -0.608 1.00 0.00 C ATOM 325 O ILE A 26 0.247 -9.300 -0.505 1.00 0.00 O ATOM 326 CB ILE A 26 -2.894 -8.873 -1.213 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.838 -8.496 -2.357 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.318 -7.624 -0.562 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.246 -8.182 -1.900 1.00 0.00 C ATOM 0 H ILE A 26 -3.221 -11.273 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.265 -9.285 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.463 -9.421 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.433 -7.630 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.872 -9.316 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.131 -6.994 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.682 -7.911 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.728 -7.072 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.859 -7.923 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.670 -9.054 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.224 -7.342 -1.205 1.00 0.00 H new ATOM 341 N LYS A 27 -1.029 -11.000 0.232 1.00 0.00 N ATOM 342 CA LYS A 27 -0.146 -11.325 1.347 1.00 0.00 C ATOM 343 C LYS A 27 1.150 -11.956 0.848 1.00 0.00 C ATOM 344 O LYS A 27 2.242 -11.552 1.246 1.00 0.00 O ATOM 345 CB LYS A 27 -0.848 -12.275 2.319 1.00 0.00 C ATOM 346 CG LYS A 27 -0.983 -13.693 1.793 1.00 0.00 C ATOM 347 CD LYS A 27 -1.683 -14.596 2.795 1.00 0.00 C ATOM 348 CE LYS A 27 -1.444 -16.066 2.483 1.00 0.00 C ATOM 349 NZ LYS A 27 -2.252 -16.957 3.361 1.00 0.00 N ATOM 0 H LYS A 27 -1.855 -11.594 0.162 1.00 0.00 H new ATOM 0 HA LYS A 27 0.099 -10.399 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.294 -12.296 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.840 -11.884 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.543 -13.683 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.005 -14.094 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.324 -14.373 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.753 -14.390 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.693 -16.261 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.386 -16.296 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.061 -17.950 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.997 -16.789 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.263 -16.755 3.224 1.00 0.00 H new ATOM 363 N LYS A 28 1.021 -12.948 -0.026 1.00 0.00 N ATOM 364 CA LYS A 28 2.182 -13.634 -0.581 1.00 0.00 C ATOM 365 C LYS A 28 3.123 -12.646 -1.262 1.00 0.00 C ATOM 366 O LYS A 28 4.334 -12.861 -1.312 1.00 0.00 O ATOM 367 CB LYS A 28 1.737 -14.704 -1.581 1.00 0.00 C ATOM 368 CG LYS A 28 1.373 -14.146 -2.946 1.00 0.00 C ATOM 369 CD LYS A 28 1.416 -15.222 -4.018 1.00 0.00 C ATOM 370 CE LYS A 28 0.340 -16.274 -3.796 1.00 0.00 C ATOM 371 NZ LYS A 28 -0.925 -15.930 -4.503 1.00 0.00 N ATOM 0 H LYS A 28 0.124 -13.295 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 28 2.718 -14.112 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.537 -15.435 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.877 -15.235 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.375 -13.709 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.062 -13.343 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.283 -14.765 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.397 -15.698 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.700 -17.242 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.144 -16.374 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.685 -15.790 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.791 -15.055 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.184 -16.704 -5.147 1.00 0.00 H new ATOM 385 N ALA A 29 2.559 -11.562 -1.784 1.00 0.00 N ATOM 386 CA ALA A 29 3.349 -10.539 -2.459 1.00 0.00 C ATOM 387 C ALA A 29 4.161 -9.724 -1.458 1.00 0.00 C ATOM 388 O ALA A 29 5.337 -9.437 -1.686 1.00 0.00 O ATOM 389 CB ALA A 29 2.445 -9.627 -3.275 1.00 0.00 C ATOM 0 H ALA A 29 1.558 -11.369 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 29 4.046 -11.038 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.048 -8.868 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.913 -10.216 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.725 -9.143 -2.615 1.00 0.00 H new ATOM 395 N TYR A 30 3.527 -9.354 -0.351 1.00 0.00 N ATOM 396 CA TYR A 30 4.191 -8.568 0.683 1.00 0.00 C ATOM 397 C TYR A 30 5.464 -9.261 1.160 1.00 0.00 C ATOM 398 O TYR A 30 6.527 -8.645 1.235 1.00 0.00 O ATOM 399 CB TYR A 30 3.246 -8.341 1.865 1.00 0.00 C ATOM 400 CG TYR A 30 3.957 -8.225 3.194 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.414 -6.997 3.655 1.00 0.00 C ATOM 402 CD2 TYR A 30 4.171 -9.344 3.990 1.00 0.00 C ATOM 403 CE1 TYR A 30 5.065 -6.887 4.869 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.819 -9.243 5.205 1.00 0.00 C ATOM 405 CZ TYR A 30 5.265 -8.013 5.640 1.00 0.00 C ATOM 406 OH TYR A 30 5.911 -7.907 6.851 1.00 0.00 O ATOM 0 H TYR A 30 2.555 -9.585 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 30 4.463 -7.604 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.670 -7.432 1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.534 -9.165 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.258 -6.113 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.824 -10.309 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.415 -5.925 5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.976 -10.123 5.811 1.00 0.00 H new ATOM 0 HH TYR A 30 5.970 -8.791 7.269 1.00 0.00 H new ATOM 416 N ARG A 31 5.346 -10.545 1.482 1.00 0.00 N ATOM 417 CA ARG A 31 6.486 -11.322 1.953 1.00 0.00 C ATOM 418 C ARG A 31 7.699 -11.108 1.052 1.00 0.00 C ATOM 419 O ARG A 31 8.738 -10.618 1.496 1.00 0.00 O ATOM 420 CB ARG A 31 6.131 -12.809 2.003 1.00 0.00 C ATOM 421 CG ARG A 31 5.095 -13.152 3.061 1.00 0.00 C ATOM 422 CD ARG A 31 5.267 -14.575 3.568 1.00 0.00 C ATOM 423 NE ARG A 31 6.241 -14.656 4.653 1.00 0.00 N ATOM 424 CZ ARG A 31 6.681 -15.801 5.162 1.00 0.00 C ATOM 425 NH1 ARG A 31 6.237 -16.956 4.686 1.00 0.00 N ATOM 426 NH2 ARG A 31 7.568 -15.792 6.149 1.00 0.00 N ATOM 0 H ARG A 31 4.473 -11.069 1.425 1.00 0.00 H new ATOM 0 HA ARG A 31 6.736 -10.981 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.757 -13.118 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.037 -13.384 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.180 -12.455 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.095 -13.031 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.306 -14.955 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.586 -15.216 2.746 1.00 0.00 H new ATOM 0 HE ARG A 31 6.603 -13.785 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.556 -16.967 3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.577 -17.834 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.912 -14.905 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.905 -16.672 6.539 1.00 0.00 H new ATOM 440 N LYS A 32 7.560 -11.479 -0.216 1.00 0.00 N ATOM 441 CA LYS A 32 8.643 -11.328 -1.181 1.00 0.00 C ATOM 442 C LYS A 32 9.056 -9.865 -1.311 1.00 0.00 C ATOM 443 O LYS A 32 10.239 -9.533 -1.220 1.00 0.00 O ATOM 444 CB LYS A 32 8.217 -11.872 -2.547 1.00 0.00 C ATOM 445 CG LYS A 32 7.684 -13.293 -2.496 1.00 0.00 C ATOM 446 CD LYS A 32 8.771 -14.282 -2.109 1.00 0.00 C ATOM 447 CE LYS A 32 9.487 -14.832 -3.333 1.00 0.00 C ATOM 448 NZ LYS A 32 10.687 -14.023 -3.684 1.00 0.00 N ATOM 0 H LYS A 32 6.707 -11.887 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 32 9.499 -11.898 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.450 -11.220 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.070 -11.837 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.866 -13.350 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.274 -13.564 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.492 -13.793 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.332 -15.104 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.786 -15.863 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.800 -14.848 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.618 -13.711 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.739 -13.191 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.543 -14.601 -3.562 1.00 0.00 H new ATOM 462 N LEU A 33 8.075 -8.995 -1.521 1.00 0.00 N ATOM 463 CA LEU A 33 8.337 -7.567 -1.662 1.00 0.00 C ATOM 464 C LEU A 33 9.255 -7.069 -0.550 1.00 0.00 C ATOM 465 O LEU A 33 10.359 -6.591 -0.811 1.00 0.00 O ATOM 466 CB LEU A 33 7.023 -6.783 -1.642 1.00 0.00 C ATOM 467 CG LEU A 33 6.219 -6.788 -2.943 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.827 -6.221 -2.712 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.946 -6.000 -4.022 1.00 0.00 C ATOM 0 H LEU A 33 7.091 -9.253 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 33 8.835 -7.407 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.394 -7.186 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.244 -5.749 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 33 6.117 -7.819 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.269 -6.232 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.305 -6.828 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.907 -5.196 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.359 -6.014 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.079 -4.970 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.921 -6.451 -4.207 1.00 0.00 H new ATOM 481 N ALA A 34 8.792 -7.188 0.690 1.00 0.00 N ATOM 482 CA ALA A 34 9.574 -6.754 1.841 1.00 0.00 C ATOM 483 C ALA A 34 11.061 -7.014 1.625 1.00 0.00 C ATOM 484 O ALA A 34 11.893 -6.130 1.834 1.00 0.00 O ATOM 485 CB ALA A 34 9.092 -7.458 3.101 1.00 0.00 C ATOM 0 H ALA A 34 7.880 -7.581 0.923 1.00 0.00 H new ATOM 0 HA ALA A 34 9.433 -5.680 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.684 -7.125 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.043 -7.219 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.203 -8.536 2.981 1.00 0.00 H new ATOM 491 N LEU A 35 11.390 -8.230 1.205 1.00 0.00 N ATOM 492 CA LEU A 35 12.778 -8.607 0.960 1.00 0.00 C ATOM 493 C LEU A 35 13.328 -7.888 -0.268 1.00 0.00 C ATOM 494 O LEU A 35 14.493 -7.490 -0.296 1.00 0.00 O ATOM 495 CB LEU A 35 12.891 -10.120 0.773 1.00 0.00 C ATOM 496 CG LEU A 35 14.308 -10.674 0.618 1.00 0.00 C ATOM 497 CD1 LEU A 35 14.315 -12.183 0.803 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.882 -10.298 -0.740 1.00 0.00 C ATOM 0 H LEU A 35 10.714 -8.973 1.027 1.00 0.00 H new ATOM 0 HA LEU A 35 13.368 -8.310 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.424 -10.607 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.314 -10.401 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 35 14.937 -10.232 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.332 -12.559 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.947 -12.429 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.672 -12.644 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.891 -10.700 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.253 -10.711 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.915 -9.212 -0.833 1.00 0.00 H new ATOM 510 N ARG A 36 12.482 -7.724 -1.280 1.00 0.00 N ATOM 511 CA ARG A 36 12.884 -7.053 -2.510 1.00 0.00 C ATOM 512 C ARG A 36 13.278 -5.605 -2.235 1.00 0.00 C ATOM 513 O ARG A 36 14.362 -5.163 -2.617 1.00 0.00 O ATOM 514 CB ARG A 36 11.749 -7.098 -3.534 1.00 0.00 C ATOM 515 CG ARG A 36 12.000 -6.234 -4.760 1.00 0.00 C ATOM 516 CD ARG A 36 11.256 -6.762 -5.976 1.00 0.00 C ATOM 517 NE ARG A 36 9.901 -6.225 -6.065 1.00 0.00 N ATOM 518 CZ ARG A 36 9.252 -6.055 -7.211 1.00 0.00 C ATOM 519 NH1 ARG A 36 9.831 -6.378 -8.359 1.00 0.00 N ATOM 520 NH2 ARG A 36 8.020 -5.560 -7.210 1.00 0.00 N ATOM 0 H ARG A 36 11.514 -8.047 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 36 13.750 -7.577 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.598 -8.130 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.825 -6.774 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.685 -5.211 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.069 -6.203 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.808 -6.503 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.212 -7.850 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 36 9.427 -5.966 -5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.777 -6.758 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.330 -6.246 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.572 -5.310 -6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.522 -5.430 -8.091 1.00 0.00 H new ATOM 534 N TRP A 37 12.392 -4.872 -1.571 1.00 0.00 N ATOM 535 CA TRP A 37 12.648 -3.473 -1.246 1.00 0.00 C ATOM 536 C TRP A 37 13.463 -3.353 0.037 1.00 0.00 C ATOM 537 O TRP A 37 13.564 -2.273 0.621 1.00 0.00 O ATOM 538 CB TRP A 37 11.328 -2.713 -1.099 1.00 0.00 C ATOM 539 CG TRP A 37 10.742 -2.282 -2.409 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.674 -2.839 -3.052 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.193 -1.204 -3.236 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.434 -2.172 -4.229 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.351 -1.164 -4.365 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.225 -0.267 -3.132 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.512 -0.226 -5.380 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.383 0.664 -4.141 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.531 0.680 -5.253 1.00 0.00 C ATOM 0 H TRP A 37 11.490 -5.222 -1.247 1.00 0.00 H new ATOM 0 HA TRP A 37 13.223 -3.035 -2.062 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.609 -3.345 -0.578 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.491 -1.834 -0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.102 -3.680 -2.689 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.693 -2.392 -4.894 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.887 -0.271 -2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.856 -0.213 -6.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.177 1.392 -4.071 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.681 1.421 -6.025 1.00 0.00 H new ATOM 558 N HIS A 38 14.045 -4.467 0.470 1.00 0.00 N ATOM 559 CA HIS A 38 14.853 -4.485 1.684 1.00 0.00 C ATOM 560 C HIS A 38 16.066 -3.570 1.543 1.00 0.00 C ATOM 561 O HIS A 38 16.720 -3.523 0.501 1.00 0.00 O ATOM 562 CB HIS A 38 15.309 -5.911 1.997 1.00 0.00 C ATOM 563 CG HIS A 38 15.626 -6.134 3.444 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.809 -5.729 4.026 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.906 -6.722 4.428 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.803 -6.061 5.305 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.659 -6.664 5.574 1.00 0.00 N ATOM 0 H HIS A 38 13.972 -5.368 -0.002 1.00 0.00 H new ATOM 0 HA HIS A 38 14.238 -4.119 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.528 -6.608 1.693 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.192 -6.141 1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.922 -7.156 4.330 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.598 -5.871 6.011 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.380 -7.028 6.485 1.00 0.00 H new ATOM 575 N PRO A 39 16.374 -2.825 2.615 1.00 0.00 N ATOM 576 CA PRO A 39 17.509 -1.898 2.635 1.00 0.00 C ATOM 577 C PRO A 39 18.850 -2.624 2.632 1.00 0.00 C ATOM 578 O PRO A 39 19.790 -2.208 1.954 1.00 0.00 O ATOM 579 CB PRO A 39 17.318 -1.133 3.947 1.00 0.00 C ATOM 580 CG PRO A 39 16.536 -2.057 4.815 1.00 0.00 C ATOM 581 CD PRO A 39 15.638 -2.831 3.891 1.00 0.00 C ATOM 0 HA PRO A 39 17.530 -1.259 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.276 -0.880 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.785 -0.196 3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.196 -2.725 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.954 -1.502 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.468 -3.845 4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.660 -2.360 3.793 1.00 0.00 H new ATOM 589 N ASP A 40 18.932 -3.710 3.393 1.00 0.00 N ATOM 590 CA ASP A 40 20.158 -4.494 3.476 1.00 0.00 C ATOM 591 C ASP A 40 20.517 -5.088 2.118 1.00 0.00 C ATOM 592 O ASP A 40 21.692 -5.245 1.787 1.00 0.00 O ATOM 593 CB ASP A 40 20.005 -5.611 4.510 1.00 0.00 C ATOM 594 CG ASP A 40 21.325 -6.281 4.839 1.00 0.00 C ATOM 595 OD1 ASP A 40 22.141 -5.663 5.554 1.00 0.00 O ATOM 596 OD2 ASP A 40 21.542 -7.422 4.380 1.00 0.00 O ATOM 0 H ASP A 40 18.164 -4.067 3.961 1.00 0.00 H new ATOM 0 HA ASP A 40 20.964 -3.829 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.572 -5.201 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.306 -6.358 4.133 1.00 0.00 H new ATOM 601 N LYS A 41 19.496 -5.418 1.334 1.00 0.00 N ATOM 602 CA LYS A 41 19.702 -5.994 0.011 1.00 0.00 C ATOM 603 C LYS A 41 20.152 -4.928 -0.984 1.00 0.00 C ATOM 604 O LYS A 41 20.739 -5.240 -2.018 1.00 0.00 O ATOM 605 CB LYS A 41 18.415 -6.659 -0.485 1.00 0.00 C ATOM 606 CG LYS A 41 18.180 -8.040 0.101 1.00 0.00 C ATOM 607 CD LYS A 41 19.146 -9.062 -0.475 1.00 0.00 C ATOM 608 CE LYS A 41 18.725 -9.506 -1.867 1.00 0.00 C ATOM 609 NZ LYS A 41 19.680 -10.489 -2.449 1.00 0.00 N ATOM 0 H LYS A 41 18.517 -5.296 1.593 1.00 0.00 H new ATOM 0 HA LYS A 41 20.486 -6.747 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.567 -6.020 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.451 -6.736 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.294 -8.001 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.155 -8.352 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.148 -8.634 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.196 -9.928 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.730 -9.950 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.656 -8.636 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.357 -10.767 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.624 -10.058 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.727 -11.330 -1.839 1.00 0.00 H new ATOM 623 N ASN A 42 19.872 -3.670 -0.661 1.00 0.00 N ATOM 624 CA ASN A 42 20.249 -2.557 -1.526 1.00 0.00 C ATOM 625 C ASN A 42 21.352 -1.720 -0.885 1.00 0.00 C ATOM 626 O ASN A 42 21.109 -0.907 0.008 1.00 0.00 O ATOM 627 CB ASN A 42 19.032 -1.679 -1.822 1.00 0.00 C ATOM 628 CG ASN A 42 18.022 -2.373 -2.714 1.00 0.00 C ATOM 629 OD1 ASN A 42 18.279 -2.610 -3.895 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.864 -2.702 -2.153 1.00 0.00 N ATOM 0 H ASN A 42 19.386 -3.395 0.193 1.00 0.00 H new ATOM 0 HA ASN A 42 20.627 -2.968 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.552 -1.399 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.361 -0.756 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.145 -3.170 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.694 -2.486 -1.171 1.00 0.00 H new ATOM 637 N PRO A 43 22.593 -1.919 -1.351 1.00 0.00 N ATOM 638 CA PRO A 43 23.758 -1.191 -0.839 1.00 0.00 C ATOM 639 C PRO A 43 23.741 0.281 -1.235 1.00 0.00 C ATOM 640 O PRO A 43 23.886 1.163 -0.388 1.00 0.00 O ATOM 641 CB PRO A 43 24.941 -1.908 -1.494 1.00 0.00 C ATOM 642 CG PRO A 43 24.379 -2.508 -2.737 1.00 0.00 C ATOM 643 CD PRO A 43 22.956 -2.872 -2.414 1.00 0.00 C ATOM 0 HA PRO A 43 23.793 -1.192 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.749 -1.213 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.354 -2.673 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.423 -1.801 -3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.948 -3.388 -3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.308 -2.770 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.872 -3.904 -2.074 1.00 0.00 H new ATOM 651 N ASP A 44 23.563 0.540 -2.526 1.00 0.00 N ATOM 652 CA ASP A 44 23.525 1.906 -3.034 1.00 0.00 C ATOM 653 C ASP A 44 22.656 2.792 -2.146 1.00 0.00 C ATOM 654 O ASP A 44 23.130 3.778 -1.583 1.00 0.00 O ATOM 655 CB ASP A 44 22.997 1.925 -4.469 1.00 0.00 C ATOM 656 CG ASP A 44 23.638 0.860 -5.336 1.00 0.00 C ATOM 657 OD1 ASP A 44 23.412 -0.339 -5.070 1.00 0.00 O ATOM 658 OD2 ASP A 44 24.367 1.226 -6.282 1.00 0.00 O ATOM 0 H ASP A 44 23.443 -0.179 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 44 24.541 2.299 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.917 1.778 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.181 2.906 -4.908 1.00 0.00 H new ATOM 663 N ASN A 45 21.382 2.434 -2.029 1.00 0.00 N ATOM 664 CA ASN A 45 20.446 3.198 -1.211 1.00 0.00 C ATOM 665 C ASN A 45 19.732 2.292 -0.213 1.00 0.00 C ATOM 666 O ASN A 45 18.897 1.469 -0.590 1.00 0.00 O ATOM 667 CB ASN A 45 19.420 3.905 -2.100 1.00 0.00 C ATOM 668 CG ASN A 45 18.920 3.019 -3.224 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.658 2.706 -4.158 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.660 2.609 -3.137 1.00 0.00 N ATOM 0 H ASN A 45 20.974 1.621 -2.489 1.00 0.00 H new ATOM 0 HA ASN A 45 21.012 3.946 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.575 4.225 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.868 4.805 -2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.267 2.010 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.085 2.893 -2.344 1.00 0.00 H new ATOM 677 N LYS A 46 20.064 2.450 1.064 1.00 0.00 N ATOM 678 CA LYS A 46 19.454 1.650 2.119 1.00 0.00 C ATOM 679 C LYS A 46 18.241 2.361 2.709 1.00 0.00 C ATOM 680 O LYS A 46 17.173 1.767 2.856 1.00 0.00 O ATOM 681 CB LYS A 46 20.475 1.359 3.222 1.00 0.00 C ATOM 682 CG LYS A 46 21.549 0.368 2.810 1.00 0.00 C ATOM 683 CD LYS A 46 22.848 0.609 3.561 1.00 0.00 C ATOM 684 CE LYS A 46 22.901 -0.191 4.854 1.00 0.00 C ATOM 685 NZ LYS A 46 23.895 0.368 5.812 1.00 0.00 N ATOM 0 H LYS A 46 20.753 3.126 1.393 1.00 0.00 H new ATOM 0 HA LYS A 46 19.123 0.708 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.950 2.293 3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.952 0.973 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.201 -0.647 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.727 0.448 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.692 0.335 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.949 1.671 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.914 -0.198 5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.155 -1.227 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.901 -0.205 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.841 0.352 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.638 1.348 6.046 1.00 0.00 H new ATOM 699 N GLU A 47 18.413 3.636 3.045 1.00 0.00 N ATOM 700 CA GLU A 47 17.330 4.427 3.618 1.00 0.00 C ATOM 701 C GLU A 47 16.140 4.491 2.666 1.00 0.00 C ATOM 702 O GLU A 47 15.006 4.210 3.054 1.00 0.00 O ATOM 703 CB GLU A 47 17.817 5.841 3.939 1.00 0.00 C ATOM 704 CG GLU A 47 17.015 6.528 5.032 1.00 0.00 C ATOM 705 CD GLU A 47 17.321 5.980 6.412 1.00 0.00 C ATOM 706 OE1 GLU A 47 18.473 5.552 6.638 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.410 5.978 7.266 1.00 0.00 O ATOM 0 H GLU A 47 19.291 4.143 2.930 1.00 0.00 H new ATOM 0 HA GLU A 47 17.009 3.943 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.863 5.796 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.773 6.446 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.226 7.597 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.951 6.410 4.826 1.00 0.00 H new ATOM 714 N GLU A 48 16.407 4.862 1.418 1.00 0.00 N ATOM 715 CA GLU A 48 15.357 4.965 0.411 1.00 0.00 C ATOM 716 C GLU A 48 14.510 3.696 0.377 1.00 0.00 C ATOM 717 O GLU A 48 13.283 3.754 0.448 1.00 0.00 O ATOM 718 CB GLU A 48 15.967 5.221 -0.969 1.00 0.00 C ATOM 719 CG GLU A 48 14.933 5.400 -2.068 1.00 0.00 C ATOM 720 CD GLU A 48 15.431 6.274 -3.202 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.569 6.053 -3.666 1.00 0.00 O ATOM 722 OE2 GLU A 48 14.683 7.180 -3.625 1.00 0.00 O ATOM 0 H GLU A 48 17.340 5.096 1.080 1.00 0.00 H new ATOM 0 HA GLU A 48 14.714 5.804 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.592 6.113 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.620 4.388 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.655 4.423 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.031 5.841 -1.644 1.00 0.00 H new ATOM 729 N ALA A 49 15.175 2.550 0.267 1.00 0.00 N ATOM 730 CA ALA A 49 14.485 1.267 0.225 1.00 0.00 C ATOM 731 C ALA A 49 13.678 1.036 1.498 1.00 0.00 C ATOM 732 O ALA A 49 12.528 0.602 1.444 1.00 0.00 O ATOM 733 CB ALA A 49 15.482 0.137 0.017 1.00 0.00 C ATOM 0 H ALA A 49 16.191 2.485 0.205 1.00 0.00 H new ATOM 0 HA ALA A 49 13.791 1.283 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.952 -0.815 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.011 0.287 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.199 0.128 0.838 1.00 0.00 H new ATOM 739 N GLU A 50 14.290 1.328 2.642 1.00 0.00 N ATOM 740 CA GLU A 50 13.628 1.149 3.929 1.00 0.00 C ATOM 741 C GLU A 50 12.233 1.767 3.913 1.00 0.00 C ATOM 742 O GLU A 50 11.267 1.161 4.376 1.00 0.00 O ATOM 743 CB GLU A 50 14.462 1.775 5.048 1.00 0.00 C ATOM 744 CG GLU A 50 14.187 1.180 6.419 1.00 0.00 C ATOM 745 CD GLU A 50 15.276 1.501 7.424 1.00 0.00 C ATOM 746 OE1 GLU A 50 16.355 0.878 7.347 1.00 0.00 O ATOM 747 OE2 GLU A 50 15.048 2.374 8.287 1.00 0.00 O ATOM 0 H GLU A 50 15.242 1.689 2.703 1.00 0.00 H new ATOM 0 HA GLU A 50 13.531 0.079 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.519 1.652 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.265 2.847 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.234 1.556 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.089 0.098 6.328 1.00 0.00 H new ATOM 754 N LYS A 51 12.135 2.979 3.377 1.00 0.00 N ATOM 755 CA LYS A 51 10.860 3.682 3.300 1.00 0.00 C ATOM 756 C LYS A 51 9.789 2.797 2.670 1.00 0.00 C ATOM 757 O LYS A 51 8.747 2.541 3.273 1.00 0.00 O ATOM 758 CB LYS A 51 11.013 4.971 2.489 1.00 0.00 C ATOM 759 CG LYS A 51 9.693 5.663 2.192 1.00 0.00 C ATOM 760 CD LYS A 51 9.035 6.177 3.462 1.00 0.00 C ATOM 761 CE LYS A 51 8.079 7.323 3.169 1.00 0.00 C ATOM 762 NZ LYS A 51 6.851 6.855 2.467 1.00 0.00 N ATOM 0 H LYS A 51 12.925 3.495 2.989 1.00 0.00 H new ATOM 0 HA LYS A 51 10.550 3.933 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.660 5.659 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.513 4.741 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.863 6.494 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.021 4.967 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.493 5.365 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.802 6.511 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.800 7.811 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.584 8.070 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.442 7.640 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.095 6.076 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.157 6.521 3.166 1.00 0.00 H new ATOM 776 N LYS A 52 10.053 2.331 1.454 1.00 0.00 N ATOM 777 CA LYS A 52 9.114 1.472 0.742 1.00 0.00 C ATOM 778 C LYS A 52 8.693 0.290 1.609 1.00 0.00 C ATOM 779 O LYS A 52 7.536 -0.130 1.585 1.00 0.00 O ATOM 780 CB LYS A 52 9.739 0.967 -0.560 1.00 0.00 C ATOM 781 CG LYS A 52 10.164 2.079 -1.503 1.00 0.00 C ATOM 782 CD LYS A 52 9.042 2.462 -2.454 1.00 0.00 C ATOM 783 CE LYS A 52 9.393 3.705 -3.258 1.00 0.00 C ATOM 784 NZ LYS A 52 9.470 4.918 -2.398 1.00 0.00 N ATOM 0 H LYS A 52 10.911 2.534 0.940 1.00 0.00 H new ATOM 0 HA LYS A 52 8.228 2.061 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.607 0.353 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.023 0.323 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.466 2.952 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.034 1.759 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.840 1.633 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.128 2.640 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.349 3.555 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.645 3.858 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.423 5.769 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.675 4.920 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.367 4.914 -1.871 1.00 0.00 H new ATOM 798 N PHE A 53 9.639 -0.242 2.376 1.00 0.00 N ATOM 799 CA PHE A 53 9.366 -1.375 3.252 1.00 0.00 C ATOM 800 C PHE A 53 8.130 -1.116 4.107 1.00 0.00 C ATOM 801 O PHE A 53 7.311 -2.010 4.324 1.00 0.00 O ATOM 802 CB PHE A 53 10.573 -1.655 4.151 1.00 0.00 C ATOM 803 CG PHE A 53 10.500 -2.978 4.857 1.00 0.00 C ATOM 804 CD1 PHE A 53 10.938 -4.136 4.234 1.00 0.00 C ATOM 805 CD2 PHE A 53 9.994 -3.065 6.144 1.00 0.00 C ATOM 806 CE1 PHE A 53 10.872 -5.355 4.882 1.00 0.00 C ATOM 807 CE2 PHE A 53 9.925 -4.281 6.797 1.00 0.00 C ATOM 808 CZ PHE A 53 10.366 -5.428 6.165 1.00 0.00 C ATOM 0 H PHE A 53 10.602 0.094 2.408 1.00 0.00 H new ATOM 0 HA PHE A 53 9.177 -2.248 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.480 -1.624 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.656 -0.860 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.335 -4.085 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.649 -2.171 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.216 -6.250 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.527 -4.335 7.800 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.315 -6.380 6.673 1.00 0.00 H new ATOM 818 N LYS A 54 8.000 0.114 4.592 1.00 0.00 N ATOM 819 CA LYS A 54 6.864 0.494 5.424 1.00 0.00 C ATOM 820 C LYS A 54 5.574 0.503 4.611 1.00 0.00 C ATOM 821 O LYS A 54 4.502 0.177 5.124 1.00 0.00 O ATOM 822 CB LYS A 54 7.098 1.873 6.044 1.00 0.00 C ATOM 823 CG LYS A 54 6.132 2.207 7.167 1.00 0.00 C ATOM 824 CD LYS A 54 6.695 3.276 8.088 1.00 0.00 C ATOM 825 CE LYS A 54 5.725 3.613 9.210 1.00 0.00 C ATOM 826 NZ LYS A 54 6.391 4.360 10.313 1.00 0.00 N ATOM 0 H LYS A 54 8.668 0.866 4.423 1.00 0.00 H new ATOM 0 HA LYS A 54 6.766 -0.244 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.117 1.922 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.013 2.631 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.187 2.550 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.916 1.307 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.638 2.932 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.914 4.175 7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.903 4.208 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.292 2.694 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.697 4.571 11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.159 3.782 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.783 5.250 9.943 1.00 0.00 H new ATOM 840 N LEU A 55 5.683 0.876 3.341 1.00 0.00 N ATOM 841 CA LEU A 55 4.524 0.926 2.456 1.00 0.00 C ATOM 842 C LEU A 55 3.982 -0.475 2.189 1.00 0.00 C ATOM 843 O LEU A 55 2.795 -0.740 2.379 1.00 0.00 O ATOM 844 CB LEU A 55 4.895 1.602 1.134 1.00 0.00 C ATOM 845 CG LEU A 55 4.721 3.120 1.085 1.00 0.00 C ATOM 846 CD1 LEU A 55 3.277 3.501 1.374 1.00 0.00 C ATOM 847 CD2 LEU A 55 5.661 3.797 2.072 1.00 0.00 C ATOM 0 H LEU A 55 6.562 1.148 2.901 1.00 0.00 H new ATOM 0 HA LEU A 55 3.746 1.509 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.936 1.368 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.290 1.161 0.341 1.00 0.00 H new ATOM 0 HG LEU A 55 4.972 3.463 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.172 4.585 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.625 3.046 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.998 3.145 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.523 4.877 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.442 3.448 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.692 3.551 1.819 1.00 0.00 H new ATOM 859 N VAL A 56 4.861 -1.370 1.748 1.00 0.00 N ATOM 860 CA VAL A 56 4.472 -2.745 1.458 1.00 0.00 C ATOM 861 C VAL A 56 3.866 -3.415 2.686 1.00 0.00 C ATOM 862 O VAL A 56 3.043 -4.323 2.567 1.00 0.00 O ATOM 863 CB VAL A 56 5.674 -3.578 0.973 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.688 -3.754 2.093 1.00 0.00 C ATOM 865 CG2 VAL A 56 5.209 -4.927 0.447 1.00 0.00 C ATOM 0 H VAL A 56 5.847 -1.167 1.584 1.00 0.00 H new ATOM 0 HA VAL A 56 3.725 -2.702 0.665 1.00 0.00 H new ATOM 0 HB VAL A 56 6.159 -3.043 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.530 -4.345 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.044 -2.777 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.218 -4.267 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.071 -5.502 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.699 -5.471 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.524 -4.776 -0.387 1.00 0.00 H new ATOM 875 N SER A 57 4.278 -2.961 3.865 1.00 0.00 N ATOM 876 CA SER A 57 3.777 -3.518 5.116 1.00 0.00 C ATOM 877 C SER A 57 2.428 -2.908 5.482 1.00 0.00 C ATOM 878 O SER A 57 1.480 -3.622 5.809 1.00 0.00 O ATOM 879 CB SER A 57 4.782 -3.277 6.245 1.00 0.00 C ATOM 880 OG SER A 57 6.024 -3.897 5.963 1.00 0.00 O ATOM 0 H SER A 57 4.957 -2.209 3.980 1.00 0.00 H new ATOM 0 HA SER A 57 3.645 -4.591 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.930 -2.206 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.382 -3.666 7.181 1.00 0.00 H new ATOM 0 HG SER A 57 6.558 -3.312 5.386 1.00 0.00 H new ATOM 886 N GLU A 58 2.349 -1.582 5.423 1.00 0.00 N ATOM 887 CA GLU A 58 1.116 -0.875 5.749 1.00 0.00 C ATOM 888 C GLU A 58 -0.001 -1.257 4.783 1.00 0.00 C ATOM 889 O GLU A 58 -1.051 -1.749 5.194 1.00 0.00 O ATOM 890 CB GLU A 58 1.344 0.637 5.711 1.00 0.00 C ATOM 891 CG GLU A 58 0.095 1.449 6.012 1.00 0.00 C ATOM 892 CD GLU A 58 -0.383 1.276 7.440 1.00 0.00 C ATOM 893 OE1 GLU A 58 -0.608 0.119 7.854 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.533 2.296 8.144 1.00 0.00 O ATOM 0 H GLU A 58 3.124 -0.976 5.153 1.00 0.00 H new ATOM 0 HA GLU A 58 0.816 -1.164 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.119 0.897 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.719 0.915 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.298 2.504 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.700 1.152 5.328 1.00 0.00 H new ATOM 901 N ALA A 59 0.233 -1.025 3.495 1.00 0.00 N ATOM 902 CA ALA A 59 -0.752 -1.345 2.469 1.00 0.00 C ATOM 903 C ALA A 59 -1.215 -2.793 2.586 1.00 0.00 C ATOM 904 O ALA A 59 -2.412 -3.078 2.535 1.00 0.00 O ATOM 905 CB ALA A 59 -0.177 -1.083 1.085 1.00 0.00 C ATOM 0 H ALA A 59 1.097 -0.616 3.138 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.618 -0.700 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.923 -1.326 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.098 -0.032 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.707 -1.703 0.935 1.00 0.00 H new ATOM 911 N TYR A 60 -0.261 -3.704 2.744 1.00 0.00 N ATOM 912 CA TYR A 60 -0.572 -5.123 2.865 1.00 0.00 C ATOM 913 C TYR A 60 -1.751 -5.345 3.806 1.00 0.00 C ATOM 914 O TYR A 60 -2.641 -6.147 3.526 1.00 0.00 O ATOM 915 CB TYR A 60 0.650 -5.893 3.370 1.00 0.00 C ATOM 916 CG TYR A 60 0.313 -7.243 3.962 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.447 -8.164 3.252 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.753 -7.596 5.231 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.758 -9.398 3.789 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.448 -8.829 5.776 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.308 -9.726 5.051 1.00 0.00 C ATOM 922 OH TYR A 60 -0.615 -10.954 5.590 1.00 0.00 O ATOM 0 H TYR A 60 0.734 -3.485 2.791 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.845 -5.494 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.348 -6.032 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.161 -5.293 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.801 -7.911 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.344 -6.895 5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.350 -10.102 3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.800 -9.088 6.764 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.221 -11.026 6.484 1.00 0.00 H new ATOM 932 N GLU A 61 -1.751 -4.625 4.924 1.00 0.00 N ATOM 933 CA GLU A 61 -2.821 -4.743 5.908 1.00 0.00 C ATOM 934 C GLU A 61 -4.060 -3.974 5.458 1.00 0.00 C ATOM 935 O GLU A 61 -5.182 -4.472 5.555 1.00 0.00 O ATOM 936 CB GLU A 61 -2.352 -4.224 7.269 1.00 0.00 C ATOM 937 CG GLU A 61 -1.122 -4.939 7.802 1.00 0.00 C ATOM 938 CD GLU A 61 -1.393 -6.392 8.139 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.833 -7.138 7.239 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.165 -6.784 9.303 1.00 0.00 O ATOM 0 H GLU A 61 -1.023 -3.955 5.171 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.082 -5.797 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.136 -3.159 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.164 -4.330 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.325 -4.884 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.764 -4.424 8.693 1.00 0.00 H new ATOM 947 N VAL A 62 -3.849 -2.758 4.966 1.00 0.00 N ATOM 948 CA VAL A 62 -4.948 -1.920 4.500 1.00 0.00 C ATOM 949 C VAL A 62 -5.864 -2.690 3.556 1.00 0.00 C ATOM 950 O VAL A 62 -7.081 -2.500 3.563 1.00 0.00 O ATOM 951 CB VAL A 62 -4.428 -0.662 3.780 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.583 0.132 3.191 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.611 0.198 4.733 1.00 0.00 C ATOM 0 H VAL A 62 -2.927 -2.331 4.880 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.512 -1.618 5.383 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.779 -0.975 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.196 1.017 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.122 -0.487 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.260 0.436 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.251 1.083 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.235 0.504 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.761 -0.375 5.102 1.00 0.00 H new ATOM 963 N LEU A 63 -5.273 -3.560 2.746 1.00 0.00 N ATOM 964 CA LEU A 63 -6.036 -4.361 1.795 1.00 0.00 C ATOM 965 C LEU A 63 -6.503 -5.666 2.433 1.00 0.00 C ATOM 966 O LEU A 63 -7.660 -6.060 2.289 1.00 0.00 O ATOM 967 CB LEU A 63 -5.191 -4.660 0.555 1.00 0.00 C ATOM 968 CG LEU A 63 -4.617 -3.446 -0.175 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.353 -3.825 -0.931 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.651 -2.855 -1.122 1.00 0.00 C ATOM 0 H LEU A 63 -4.267 -3.729 2.728 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.915 -3.788 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.364 -5.305 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.802 -5.226 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.358 -2.690 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.959 -2.948 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.608 -4.200 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.585 -4.599 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.225 -1.992 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.942 -3.605 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.528 -2.544 -0.555 1.00 0.00 H new ATOM 982 N SER A 64 -5.595 -6.330 3.141 1.00 0.00 N ATOM 983 CA SER A 64 -5.913 -7.592 3.800 1.00 0.00 C ATOM 984 C SER A 64 -7.253 -7.503 4.524 1.00 0.00 C ATOM 985 O SER A 64 -8.081 -8.409 4.433 1.00 0.00 O ATOM 986 CB SER A 64 -4.809 -7.966 4.791 1.00 0.00 C ATOM 987 OG SER A 64 -4.902 -7.193 5.974 1.00 0.00 O ATOM 0 H SER A 64 -4.634 -6.016 3.273 1.00 0.00 H new ATOM 0 HA SER A 64 -5.983 -8.366 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.882 -9.025 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.834 -7.813 4.329 1.00 0.00 H new ATOM 0 HG SER A 64 -5.013 -6.248 5.739 1.00 0.00 H new ATOM 993 N ASP A 65 -7.458 -6.405 5.243 1.00 0.00 N ATOM 994 CA ASP A 65 -8.698 -6.196 5.983 1.00 0.00 C ATOM 995 C ASP A 65 -9.863 -5.948 5.031 1.00 0.00 C ATOM 996 O ASP A 65 -9.664 -5.606 3.865 1.00 0.00 O ATOM 997 CB ASP A 65 -8.549 -5.016 6.945 1.00 0.00 C ATOM 998 CG ASP A 65 -9.413 -5.166 8.182 1.00 0.00 C ATOM 999 OD1 ASP A 65 -10.601 -5.521 8.036 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.901 -4.928 9.296 1.00 0.00 O ATOM 0 H ASP A 65 -6.782 -5.646 5.329 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.907 -7.099 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.505 -4.924 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.816 -4.094 6.429 1.00 0.00 H new ATOM 1005 N SER A 66 -11.080 -6.124 5.535 1.00 0.00 N ATOM 1006 CA SER A 66 -12.279 -5.924 4.728 1.00 0.00 C ATOM 1007 C SER A 66 -12.779 -4.488 4.845 1.00 0.00 C ATOM 1008 O SER A 66 -13.154 -3.865 3.851 1.00 0.00 O ATOM 1009 CB SER A 66 -13.378 -6.896 5.161 1.00 0.00 C ATOM 1010 OG SER A 66 -12.918 -8.236 5.124 1.00 0.00 O ATOM 0 H SER A 66 -11.262 -6.405 6.498 1.00 0.00 H new ATOM 0 HA SER A 66 -12.023 -6.117 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.709 -6.650 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.243 -6.787 4.506 1.00 0.00 H new ATOM 0 HG SER A 66 -13.638 -8.837 5.407 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.782 -3.967 6.067 1.00 0.00 N ATOM 1017 CA LYS A 67 -13.235 -2.604 6.317 1.00 0.00 C ATOM 1018 C LYS A 67 -12.273 -1.590 5.705 1.00 0.00 C ATOM 1019 O LYS A 67 -12.686 -0.692 4.971 1.00 0.00 O ATOM 1020 CB LYS A 67 -13.364 -2.355 7.822 1.00 0.00 C ATOM 1021 CG LYS A 67 -12.061 -2.533 8.582 1.00 0.00 C ATOM 1022 CD LYS A 67 -12.275 -2.448 10.084 1.00 0.00 C ATOM 1023 CE LYS A 67 -10.973 -2.165 10.817 1.00 0.00 C ATOM 1024 NZ LYS A 67 -11.076 -2.476 12.270 1.00 0.00 N ATOM 0 H LYS A 67 -12.475 -4.469 6.901 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.212 -2.481 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.734 -1.343 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.110 -3.036 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.621 -3.498 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.350 -1.768 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.997 -1.662 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.701 -3.384 10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.171 -2.756 10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.704 -1.117 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.169 -2.270 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.824 -1.893 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.308 -3.482 12.394 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.989 -1.741 6.009 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.967 -0.841 5.486 1.00 0.00 C ATOM 1040 C LYS A 68 -9.914 -0.905 3.963 1.00 0.00 C ATOM 1041 O LYS A 68 -9.835 0.124 3.292 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.598 -1.196 6.071 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.508 -0.997 7.574 1.00 0.00 C ATOM 1044 CD LYS A 68 -7.078 -0.740 8.018 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.705 0.728 7.872 1.00 0.00 C ATOM 1046 NZ LYS A 68 -5.400 1.035 8.520 1.00 0.00 N ATOM 0 H LYS A 68 -10.630 -2.479 6.615 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.228 0.176 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.371 -2.236 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.836 -0.586 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.138 -0.158 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.895 -1.880 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.958 -1.046 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.396 -1.350 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.655 0.987 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.485 1.347 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.181 2.044 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.455 0.812 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.651 0.463 8.080 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.959 -2.119 3.424 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.916 -2.316 1.980 1.00 0.00 C ATOM 1062 C ARG A 69 -11.049 -1.559 1.294 1.00 0.00 C ATOM 1063 O ARG A 69 -10.812 -0.723 0.422 1.00 0.00 O ATOM 1064 CB ARG A 69 -10.007 -3.806 1.645 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.961 -4.098 0.154 1.00 0.00 C ATOM 1066 CD ARG A 69 -8.535 -4.308 -0.330 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.491 -4.871 -1.676 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.842 -6.120 -1.962 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.261 -6.931 -1.001 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.774 -6.560 -3.212 1.00 0.00 N ATOM 0 H ARG A 69 -10.025 -2.981 3.966 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.967 -1.925 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.187 -4.331 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.933 -4.207 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.554 -4.987 -0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.414 -3.272 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.004 -3.356 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.013 -4.973 0.358 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.173 -4.273 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.315 -6.597 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.530 -7.889 -1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.452 -5.939 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.044 -7.519 -3.430 1.00 0.00 H new ATOM 1084 N SER A 70 -12.281 -1.858 1.694 1.00 0.00 N ATOM 1085 CA SER A 70 -13.452 -1.209 1.115 1.00 0.00 C ATOM 1086 C SER A 70 -13.385 0.303 1.306 1.00 0.00 C ATOM 1087 O SER A 70 -13.602 1.069 0.366 1.00 0.00 O ATOM 1088 CB SER A 70 -14.731 -1.758 1.749 1.00 0.00 C ATOM 1089 OG SER A 70 -14.948 -3.108 1.374 1.00 0.00 O ATOM 0 H SER A 70 -12.494 -2.546 2.417 1.00 0.00 H new ATOM 0 HA SER A 70 -13.464 -1.423 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.663 -1.685 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.582 -1.151 1.442 1.00 0.00 H new ATOM 0 HG SER A 70 -14.466 -3.700 1.989 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.081 0.726 2.528 1.00 0.00 N ATOM 1096 CA LEU A 71 -12.985 2.147 2.844 1.00 0.00 C ATOM 1097 C LEU A 71 -11.990 2.843 1.922 1.00 0.00 C ATOM 1098 O LEU A 71 -12.309 3.857 1.300 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.566 2.337 4.303 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.694 2.310 5.335 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -13.131 2.148 6.738 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.535 3.575 5.239 1.00 0.00 C ATOM 0 H LEU A 71 -12.897 0.105 3.316 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.967 2.596 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.848 1.557 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.045 3.290 4.389 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.334 1.454 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.949 2.131 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.573 1.214 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.467 2.983 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.333 3.539 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.906 4.445 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.969 3.648 4.242 1.00 0.00 H new