USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 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 Set 1.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= -0.679 USER MOD Single : A 10 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.84) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.69 K(o=0.69,f=-6.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.155 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0.0857 (180deg=0.0606) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.114 (180deg=-0.518) USER MOD Single : A 38 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-6.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.05 K(o=1,f=-0.25) USER MOD Single : A 45 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.3!) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc=0.000959 (180deg=0.000513) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.832 (180deg=-1.01) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.04) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 95:sc= 0.201 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -0.443 4.884 -4.319 1.00 0.00 N ATOM 94 CA ASN A 10 -1.596 3.992 -4.363 1.00 0.00 C ATOM 95 C ASN A 10 -1.245 2.621 -3.792 1.00 0.00 C ATOM 96 O ASN A 10 -0.371 1.926 -4.311 1.00 0.00 O ATOM 97 CB ASN A 10 -2.098 3.845 -5.801 1.00 0.00 C ATOM 98 CG ASN A 10 -2.275 5.184 -6.491 1.00 0.00 C ATOM 99 OD1 ASN A 10 -3.125 5.986 -6.104 1.00 0.00 O ATOM 100 ND2 ASN A 10 -1.471 5.430 -7.519 1.00 0.00 N ATOM 0 HA ASN A 10 -2.386 4.429 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.393 3.237 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.049 3.312 -5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.544 6.314 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.781 4.735 -7.804 1.00 0.00 H new ATOM 107 N TYR A 11 -1.932 2.238 -2.722 1.00 0.00 N ATOM 108 CA TYR A 11 -1.693 0.951 -2.080 1.00 0.00 C ATOM 109 C TYR A 11 -1.622 -0.169 -3.113 1.00 0.00 C ATOM 110 O TYR A 11 -0.613 -0.866 -3.222 1.00 0.00 O ATOM 111 CB TYR A 11 -2.795 0.653 -1.062 1.00 0.00 C ATOM 112 CG TYR A 11 -3.017 1.767 -0.065 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.947 2.366 0.588 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.298 2.223 0.223 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.145 3.384 1.500 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.506 3.242 1.132 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.426 3.819 1.769 1.00 0.00 C ATOM 118 OH TYR A 11 -3.628 4.834 2.675 1.00 0.00 O ATOM 0 H TYR A 11 -2.659 2.801 -2.281 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.735 1.004 -1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.727 0.462 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.543 -0.260 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.942 2.030 0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.145 1.773 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.302 3.837 2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.508 3.585 1.343 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.587 5.021 2.748 1.00 0.00 H new ATOM 128 N TYR A 12 -2.701 -0.335 -3.871 1.00 0.00 N ATOM 129 CA TYR A 12 -2.763 -1.371 -4.895 1.00 0.00 C ATOM 130 C TYR A 12 -1.469 -1.418 -5.701 1.00 0.00 C ATOM 131 O TYR A 12 -0.853 -2.474 -5.844 1.00 0.00 O ATOM 132 CB TYR A 12 -3.950 -1.124 -5.828 1.00 0.00 C ATOM 133 CG TYR A 12 -5.288 -1.455 -5.207 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.681 -2.775 -5.021 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.159 -0.450 -4.808 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.903 -3.083 -4.454 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.382 -0.748 -4.239 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.750 -2.066 -4.065 1.00 0.00 C ATOM 139 OH TYR A 12 -8.968 -2.368 -3.500 1.00 0.00 O ATOM 0 H TYR A 12 -3.544 0.234 -3.795 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.894 -2.332 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.950 -0.078 -6.133 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.821 -1.720 -6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.020 -3.573 -5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.875 0.583 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.193 -4.114 -4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.046 0.046 -3.932 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.442 -1.539 -3.282 1.00 0.00 H new ATOM 149 N GLU A 13 -1.063 -0.266 -6.226 1.00 0.00 N ATOM 150 CA GLU A 13 0.157 -0.176 -7.018 1.00 0.00 C ATOM 151 C GLU A 13 1.373 -0.591 -6.194 1.00 0.00 C ATOM 152 O GLU A 13 2.158 -1.443 -6.609 1.00 0.00 O ATOM 153 CB GLU A 13 0.346 1.248 -7.545 1.00 0.00 C ATOM 154 CG GLU A 13 -0.565 1.591 -8.711 1.00 0.00 C ATOM 155 CD GLU A 13 -1.985 1.894 -8.273 1.00 0.00 C ATOM 156 OE1 GLU A 13 -2.700 0.948 -7.882 1.00 0.00 O ATOM 157 OE2 GLU A 13 -2.380 3.078 -8.320 1.00 0.00 O ATOM 0 H GLU A 13 -1.561 0.617 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 13 0.062 -0.858 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.165 1.954 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.383 1.377 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.161 2.453 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.576 0.759 -9.416 1.00 0.00 H new ATOM 164 N VAL A 14 1.522 0.020 -5.022 1.00 0.00 N ATOM 165 CA VAL A 14 2.641 -0.285 -4.138 1.00 0.00 C ATOM 166 C VAL A 14 2.886 -1.788 -4.060 1.00 0.00 C ATOM 167 O VAL A 14 4.016 -2.252 -4.216 1.00 0.00 O ATOM 168 CB VAL A 14 2.398 0.258 -2.718 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.556 -0.105 -1.801 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.187 1.765 -2.753 1.00 0.00 C ATOM 0 H VAL A 14 0.882 0.729 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 14 3.520 0.202 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 14 1.494 -0.204 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.366 0.287 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.655 -1.189 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.478 0.326 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.017 2.132 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.072 2.247 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.321 1.997 -3.374 1.00 0.00 H new ATOM 180 N LEU A 15 1.821 -2.544 -3.820 1.00 0.00 N ATOM 181 CA LEU A 15 1.920 -3.996 -3.722 1.00 0.00 C ATOM 182 C LEU A 15 2.072 -4.626 -5.103 1.00 0.00 C ATOM 183 O LEU A 15 2.858 -5.553 -5.290 1.00 0.00 O ATOM 184 CB LEU A 15 0.684 -4.565 -3.022 1.00 0.00 C ATOM 185 CG LEU A 15 0.642 -4.409 -1.502 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.741 -4.749 -0.969 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.698 -5.287 -0.847 1.00 0.00 C ATOM 0 H LEU A 15 0.879 -2.176 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 15 2.806 -4.236 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.200 -4.084 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.613 -5.626 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 15 0.858 -3.369 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.752 -4.632 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.477 -4.079 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.987 -5.780 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.654 -5.163 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.512 -6.331 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.686 -4.997 -1.205 1.00 0.00 H new ATOM 199 N GLY A 16 1.314 -4.114 -6.068 1.00 0.00 N ATOM 200 CA GLY A 16 1.381 -4.637 -7.420 1.00 0.00 C ATOM 201 C GLY A 16 0.290 -5.651 -7.704 1.00 0.00 C ATOM 202 O GLY A 16 0.537 -6.677 -8.338 1.00 0.00 O ATOM 0 H GLY A 16 0.655 -3.347 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.301 -3.813 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.354 -5.101 -7.579 1.00 0.00 H new ATOM 206 N VAL A 17 -0.919 -5.364 -7.233 1.00 0.00 N ATOM 207 CA VAL A 17 -2.051 -6.259 -7.439 1.00 0.00 C ATOM 208 C VAL A 17 -3.257 -5.504 -7.987 1.00 0.00 C ATOM 209 O VAL A 17 -3.356 -4.285 -7.841 1.00 0.00 O ATOM 210 CB VAL A 17 -2.454 -6.966 -6.131 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.314 -7.835 -5.621 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.869 -5.947 -5.081 1.00 0.00 C ATOM 0 H VAL A 17 -1.140 -4.519 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.733 -7.007 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.308 -7.612 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.617 -8.327 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.068 -8.589 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.439 -7.213 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.150 -6.464 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.036 -5.274 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.719 -5.371 -5.448 1.00 0.00 H new ATOM 222 N GLN A 18 -4.171 -6.235 -8.616 1.00 0.00 N ATOM 223 CA GLN A 18 -5.370 -5.632 -9.186 1.00 0.00 C ATOM 224 C GLN A 18 -6.452 -5.463 -8.124 1.00 0.00 C ATOM 225 O GLN A 18 -6.434 -6.136 -7.094 1.00 0.00 O ATOM 226 CB GLN A 18 -5.899 -6.489 -10.337 1.00 0.00 C ATOM 227 CG GLN A 18 -4.881 -6.720 -11.442 1.00 0.00 C ATOM 228 CD GLN A 18 -4.042 -7.962 -11.212 1.00 0.00 C ATOM 229 OE1 GLN A 18 -3.888 -8.420 -10.079 1.00 0.00 O ATOM 230 NE2 GLN A 18 -3.495 -8.515 -12.288 1.00 0.00 N ATOM 0 H GLN A 18 -4.105 -7.245 -8.744 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.104 -4.646 -9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.220 -7.453 -9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.781 -6.008 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.400 -6.808 -12.396 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.226 -5.852 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.649 -8.102 -13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.921 -9.353 -12.195 1.00 0.00 H new ATOM 239 N ALA A 19 -7.391 -4.560 -8.382 1.00 0.00 N ATOM 240 CA ALA A 19 -8.482 -4.303 -7.448 1.00 0.00 C ATOM 241 C ALA A 19 -9.226 -5.589 -7.107 1.00 0.00 C ATOM 242 O ALA A 19 -9.657 -5.786 -5.971 1.00 0.00 O ATOM 243 CB ALA A 19 -9.441 -3.274 -8.027 1.00 0.00 C ATOM 0 H ALA A 19 -7.419 -3.993 -9.230 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.054 -3.906 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.250 -3.092 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.906 -2.343 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.855 -3.649 -8.963 1.00 0.00 H new ATOM 249 N SER A 20 -9.374 -6.463 -8.098 1.00 0.00 N ATOM 250 CA SER A 20 -10.071 -7.729 -7.904 1.00 0.00 C ATOM 251 C SER A 20 -9.083 -8.852 -7.604 1.00 0.00 C ATOM 252 O SER A 20 -9.412 -10.032 -7.725 1.00 0.00 O ATOM 253 CB SER A 20 -10.895 -8.078 -9.144 1.00 0.00 C ATOM 254 OG SER A 20 -12.025 -8.861 -8.802 1.00 0.00 O ATOM 0 H SER A 20 -9.020 -6.317 -9.044 1.00 0.00 H new ATOM 0 HA SER A 20 -10.741 -7.619 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.219 -7.162 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.274 -8.622 -9.856 1.00 0.00 H new ATOM 0 HG SER A 20 -12.536 -9.069 -9.612 1.00 0.00 H new ATOM 260 N ALA A 21 -7.870 -8.476 -7.211 1.00 0.00 N ATOM 261 CA ALA A 21 -6.834 -9.450 -6.892 1.00 0.00 C ATOM 262 C ALA A 21 -7.291 -10.395 -5.785 1.00 0.00 C ATOM 263 O ALA A 21 -8.145 -10.045 -4.971 1.00 0.00 O ATOM 264 CB ALA A 21 -5.550 -8.742 -6.487 1.00 0.00 C ATOM 0 H ALA A 21 -7.581 -7.503 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.642 -10.044 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.785 -9.482 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.206 -8.114 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.737 -8.122 -5.610 1.00 0.00 H new ATOM 270 N SER A 22 -6.718 -11.594 -5.763 1.00 0.00 N ATOM 271 CA SER A 22 -7.070 -12.591 -4.759 1.00 0.00 C ATOM 272 C SER A 22 -6.568 -12.174 -3.380 1.00 0.00 C ATOM 273 O SER A 22 -5.637 -11.380 -3.244 1.00 0.00 O ATOM 274 CB SER A 22 -6.486 -13.954 -5.136 1.00 0.00 C ATOM 275 OG SER A 22 -5.213 -14.145 -4.544 1.00 0.00 O ATOM 0 H SER A 22 -6.008 -11.899 -6.429 1.00 0.00 H new ATOM 0 HA SER A 22 -8.157 -12.667 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.163 -14.745 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.401 -14.030 -6.220 1.00 0.00 H new ATOM 0 HG SER A 22 -4.862 -15.024 -4.799 1.00 0.00 H new ATOM 281 N PRO A 23 -7.200 -12.721 -2.331 1.00 0.00 N ATOM 282 CA PRO A 23 -6.835 -12.422 -0.943 1.00 0.00 C ATOM 283 C PRO A 23 -5.482 -13.010 -0.560 1.00 0.00 C ATOM 284 O PRO A 23 -4.890 -12.623 0.447 1.00 0.00 O ATOM 285 CB PRO A 23 -7.954 -13.081 -0.132 1.00 0.00 C ATOM 286 CG PRO A 23 -8.463 -14.174 -1.008 1.00 0.00 C ATOM 287 CD PRO A 23 -8.319 -13.675 -2.419 1.00 0.00 C ATOM 0 HA PRO A 23 -6.738 -11.350 -0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.579 -13.473 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.742 -12.367 0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.893 -15.091 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.504 -14.404 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.101 -14.487 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.231 -13.193 -2.770 1.00 0.00 H new ATOM 295 N GLU A 24 -4.998 -13.947 -1.369 1.00 0.00 N ATOM 296 CA GLU A 24 -3.714 -14.588 -1.113 1.00 0.00 C ATOM 297 C GLU A 24 -2.596 -13.899 -1.891 1.00 0.00 C ATOM 298 O GLU A 24 -1.433 -13.936 -1.491 1.00 0.00 O ATOM 299 CB GLU A 24 -3.774 -16.070 -1.490 1.00 0.00 C ATOM 300 CG GLU A 24 -2.438 -16.784 -1.368 1.00 0.00 C ATOM 301 CD GLU A 24 -1.815 -16.625 0.005 1.00 0.00 C ATOM 302 OE1 GLU A 24 -2.570 -16.584 0.999 1.00 0.00 O ATOM 303 OE2 GLU A 24 -0.572 -16.542 0.086 1.00 0.00 O ATOM 0 H GLU A 24 -5.476 -14.279 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.500 -14.500 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.503 -16.569 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.133 -16.161 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.576 -17.844 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.752 -16.395 -2.121 1.00 0.00 H new ATOM 310 N ASP A 25 -2.959 -13.272 -3.005 1.00 0.00 N ATOM 311 CA ASP A 25 -1.989 -12.574 -3.840 1.00 0.00 C ATOM 312 C ASP A 25 -1.387 -11.386 -3.096 1.00 0.00 C ATOM 313 O ASP A 25 -0.194 -11.107 -3.214 1.00 0.00 O ATOM 314 CB ASP A 25 -2.647 -12.100 -5.136 1.00 0.00 C ATOM 315 CG ASP A 25 -1.680 -12.079 -6.303 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.110 -13.145 -6.620 1.00 0.00 O ATOM 317 OD2 ASP A 25 -1.493 -10.999 -6.900 1.00 0.00 O ATOM 0 H ASP A 25 -3.918 -13.233 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.187 -13.271 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.485 -12.754 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.055 -11.100 -4.988 1.00 0.00 H new ATOM 322 N ILE A 26 -2.221 -10.689 -2.332 1.00 0.00 N ATOM 323 CA ILE A 26 -1.772 -9.531 -1.570 1.00 0.00 C ATOM 324 C ILE A 26 -0.870 -9.950 -0.413 1.00 0.00 C ATOM 325 O ILE A 26 0.027 -9.210 -0.011 1.00 0.00 O ATOM 326 CB ILE A 26 -2.961 -8.726 -1.013 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.763 -8.102 -2.157 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.471 -7.651 -0.054 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.195 -7.784 -1.789 1.00 0.00 C ATOM 0 H ILE A 26 -3.212 -10.906 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.208 -8.901 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.614 -9.404 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.268 -7.186 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.758 -8.784 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.323 -7.091 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.939 -8.118 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.799 -6.973 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.702 -7.345 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.707 -8.700 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.209 -7.078 -0.959 1.00 0.00 H new ATOM 341 N LYS A 27 -1.114 -11.144 0.117 1.00 0.00 N ATOM 342 CA LYS A 27 -0.324 -11.665 1.225 1.00 0.00 C ATOM 343 C LYS A 27 1.026 -12.179 0.736 1.00 0.00 C ATOM 344 O LYS A 27 2.074 -11.792 1.253 1.00 0.00 O ATOM 345 CB LYS A 27 -1.082 -12.789 1.935 1.00 0.00 C ATOM 346 CG LYS A 27 -2.562 -12.501 2.122 1.00 0.00 C ATOM 347 CD LYS A 27 -2.810 -11.615 3.331 1.00 0.00 C ATOM 348 CE LYS A 27 -3.962 -10.652 3.090 1.00 0.00 C ATOM 349 NZ LYS A 27 -5.266 -11.228 3.521 1.00 0.00 N ATOM 0 H LYS A 27 -1.853 -11.769 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.150 -10.851 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.969 -13.710 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.628 -12.962 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.955 -12.016 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.104 -13.439 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.029 -12.236 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.906 -11.052 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.779 -9.724 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.009 -10.400 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.026 -10.541 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.454 -12.100 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.231 -11.445 4.537 1.00 0.00 H new ATOM 363 N LYS A 28 0.995 -13.053 -0.264 1.00 0.00 N ATOM 364 CA LYS A 28 2.216 -13.618 -0.826 1.00 0.00 C ATOM 365 C LYS A 28 3.127 -12.519 -1.364 1.00 0.00 C ATOM 366 O LYS A 28 4.350 -12.607 -1.258 1.00 0.00 O ATOM 367 CB LYS A 28 1.877 -14.607 -1.944 1.00 0.00 C ATOM 368 CG LYS A 28 1.339 -13.944 -3.200 1.00 0.00 C ATOM 369 CD LYS A 28 2.454 -13.612 -4.177 1.00 0.00 C ATOM 370 CE LYS A 28 1.918 -13.398 -5.584 1.00 0.00 C ATOM 371 NZ LYS A 28 1.564 -11.973 -5.832 1.00 0.00 N ATOM 0 H LYS A 28 0.136 -13.386 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 28 2.743 -14.145 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.771 -15.176 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.140 -15.320 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.618 -14.605 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.806 -13.032 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.975 -12.714 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.185 -14.420 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.665 -13.718 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.038 -14.023 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.034 -11.897 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.977 -11.620 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.433 -11.406 -5.897 1.00 0.00 H new ATOM 385 N ALA A 29 2.523 -11.485 -1.939 1.00 0.00 N ATOM 386 CA ALA A 29 3.280 -10.368 -2.489 1.00 0.00 C ATOM 387 C ALA A 29 4.058 -9.640 -1.398 1.00 0.00 C ATOM 388 O ALA A 29 5.258 -9.402 -1.531 1.00 0.00 O ATOM 389 CB ALA A 29 2.349 -9.403 -3.209 1.00 0.00 C ATOM 0 H ALA A 29 1.511 -11.398 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 29 3.998 -10.767 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.928 -8.573 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.843 -9.924 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.609 -9.020 -2.507 1.00 0.00 H new ATOM 395 N TYR A 30 3.366 -9.290 -0.319 1.00 0.00 N ATOM 396 CA TYR A 30 3.991 -8.586 0.795 1.00 0.00 C ATOM 397 C TYR A 30 5.247 -9.316 1.264 1.00 0.00 C ATOM 398 O TYR A 30 6.331 -8.737 1.317 1.00 0.00 O ATOM 399 CB TYR A 30 3.005 -8.447 1.955 1.00 0.00 C ATOM 400 CG TYR A 30 3.660 -8.064 3.263 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.098 -6.765 3.490 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.839 -9.001 4.273 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.697 -6.411 4.683 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.436 -8.656 5.471 1.00 0.00 C ATOM 405 CZ TYR A 30 4.864 -7.360 5.670 1.00 0.00 C ATOM 406 OH TYR A 30 5.459 -7.011 6.861 1.00 0.00 O ATOM 0 H TYR A 30 2.372 -9.482 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 30 4.277 -7.593 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.258 -7.695 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.475 -9.391 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.968 -6.019 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.506 -10.017 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.033 -5.397 4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.566 -9.397 6.246 1.00 0.00 H new ATOM 0 HH TYR A 30 5.499 -7.794 7.448 1.00 0.00 H new ATOM 416 N ARG A 31 5.090 -10.592 1.602 1.00 0.00 N ATOM 417 CA ARG A 31 6.209 -11.402 2.068 1.00 0.00 C ATOM 418 C ARG A 31 7.466 -11.111 1.253 1.00 0.00 C ATOM 419 O ARG A 31 8.479 -10.664 1.792 1.00 0.00 O ATOM 420 CB ARG A 31 5.862 -12.889 1.977 1.00 0.00 C ATOM 421 CG ARG A 31 4.651 -13.283 2.806 1.00 0.00 C ATOM 422 CD ARG A 31 4.749 -14.724 3.285 1.00 0.00 C ATOM 423 NE ARG A 31 3.931 -14.963 4.471 1.00 0.00 N ATOM 424 CZ ARG A 31 4.153 -15.952 5.329 1.00 0.00 C ATOM 425 NH1 ARG A 31 5.162 -16.789 5.135 1.00 0.00 N ATOM 426 NH2 ARG A 31 3.364 -16.105 6.386 1.00 0.00 N ATOM 0 H ARG A 31 4.199 -11.087 1.562 1.00 0.00 H new ATOM 0 HA ARG A 31 6.404 -11.145 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.678 -13.147 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.721 -13.475 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.565 -12.618 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.746 -13.156 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.433 -15.394 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.789 -14.962 3.508 1.00 0.00 H new ATOM 0 HE ARG A 31 3.146 -14.336 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.771 -16.675 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.330 -17.548 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.587 -15.463 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.535 -16.865 7.044 1.00 0.00 H new ATOM 440 N LYS A 32 7.394 -11.369 -0.048 1.00 0.00 N ATOM 441 CA LYS A 32 8.525 -11.135 -0.939 1.00 0.00 C ATOM 442 C LYS A 32 8.902 -9.657 -0.963 1.00 0.00 C ATOM 443 O LYS A 32 10.049 -9.294 -0.699 1.00 0.00 O ATOM 444 CB LYS A 32 8.193 -11.611 -2.355 1.00 0.00 C ATOM 445 CG LYS A 32 8.428 -13.096 -2.569 1.00 0.00 C ATOM 446 CD LYS A 32 7.299 -13.929 -1.986 1.00 0.00 C ATOM 447 CE LYS A 32 7.714 -15.381 -1.805 1.00 0.00 C ATOM 448 NZ LYS A 32 8.792 -15.527 -0.788 1.00 0.00 N ATOM 0 H LYS A 32 6.564 -11.741 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 32 9.376 -11.703 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.149 -11.382 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.796 -11.050 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.519 -13.301 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.372 -13.386 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.997 -13.513 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.430 -13.877 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.848 -15.971 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.058 -15.782 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.782 -16.495 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.714 -15.338 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.633 -14.850 -0.014 1.00 0.00 H new ATOM 462 N LEU A 33 7.930 -8.809 -1.279 1.00 0.00 N ATOM 463 CA LEU A 33 8.159 -7.369 -1.336 1.00 0.00 C ATOM 464 C LEU A 33 9.016 -6.908 -0.161 1.00 0.00 C ATOM 465 O LEU A 33 10.128 -6.413 -0.348 1.00 0.00 O ATOM 466 CB LEU A 33 6.826 -6.620 -1.334 1.00 0.00 C ATOM 467 CG LEU A 33 6.066 -6.598 -2.661 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.662 -6.050 -2.463 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.822 -5.776 -3.695 1.00 0.00 C ATOM 0 H LEU A 33 6.976 -9.093 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 33 8.692 -7.147 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.182 -7.067 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.011 -5.591 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 33 5.985 -7.621 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.137 -6.042 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.122 -6.680 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.720 -5.034 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.267 -5.771 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.935 -4.753 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.807 -6.214 -3.859 1.00 0.00 H new ATOM 481 N ALA A 34 8.492 -7.074 1.049 1.00 0.00 N ATOM 482 CA ALA A 34 9.211 -6.679 2.254 1.00 0.00 C ATOM 483 C ALA A 34 10.708 -6.933 2.108 1.00 0.00 C ATOM 484 O ALA A 34 11.529 -6.101 2.495 1.00 0.00 O ATOM 485 CB ALA A 34 8.663 -7.422 3.463 1.00 0.00 C ATOM 0 H ALA A 34 7.572 -7.479 1.221 1.00 0.00 H new ATOM 0 HA ALA A 34 9.063 -5.609 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.209 -7.117 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.606 -7.187 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.781 -8.495 3.314 1.00 0.00 H new ATOM 491 N LEU A 35 11.056 -8.087 1.550 1.00 0.00 N ATOM 492 CA LEU A 35 12.455 -8.451 1.354 1.00 0.00 C ATOM 493 C LEU A 35 13.029 -7.762 0.121 1.00 0.00 C ATOM 494 O LEU A 35 14.200 -7.384 0.097 1.00 0.00 O ATOM 495 CB LEU A 35 12.593 -9.968 1.216 1.00 0.00 C ATOM 496 CG LEU A 35 12.813 -10.743 2.516 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.498 -12.218 2.318 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.241 -10.563 3.009 1.00 0.00 C ATOM 0 H LEU A 35 10.389 -8.787 1.225 1.00 0.00 H new ATOM 0 HA LEU A 35 13.017 -8.119 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.693 -10.352 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.427 -10.177 0.546 1.00 0.00 H new ATOM 0 HG LEU A 35 12.136 -10.346 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.660 -12.753 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.458 -12.330 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.150 -12.629 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.379 -11.121 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.936 -10.933 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.433 -9.506 3.191 1.00 0.00 H new ATOM 510 N ARG A 36 12.196 -7.601 -0.902 1.00 0.00 N ATOM 511 CA ARG A 36 12.621 -6.957 -2.139 1.00 0.00 C ATOM 512 C ARG A 36 13.015 -5.504 -1.888 1.00 0.00 C ATOM 513 O ARG A 36 14.090 -5.063 -2.296 1.00 0.00 O ATOM 514 CB ARG A 36 11.503 -7.020 -3.182 1.00 0.00 C ATOM 515 CG ARG A 36 11.951 -6.621 -4.579 1.00 0.00 C ATOM 516 CD ARG A 36 11.843 -5.119 -4.791 1.00 0.00 C ATOM 517 NE ARG A 36 12.418 -4.703 -6.067 1.00 0.00 N ATOM 518 CZ ARG A 36 13.672 -4.289 -6.208 1.00 0.00 C ATOM 519 NH1 ARG A 36 14.478 -4.235 -5.156 1.00 0.00 N ATOM 520 NH2 ARG A 36 14.123 -3.927 -7.402 1.00 0.00 N ATOM 0 H ARG A 36 11.223 -7.908 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 36 13.492 -7.492 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.103 -8.034 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.689 -6.366 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.982 -6.939 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.341 -7.139 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.795 -4.822 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.352 -4.601 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 36 11.824 -4.732 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.135 -4.512 -4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.441 -3.917 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.506 -3.966 -8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.086 -3.609 -7.508 1.00 0.00 H new ATOM 534 N TRP A 37 12.139 -4.767 -1.215 1.00 0.00 N ATOM 535 CA TRP A 37 12.396 -3.364 -0.910 1.00 0.00 C ATOM 536 C TRP A 37 13.168 -3.224 0.397 1.00 0.00 C ATOM 537 O TRP A 37 13.241 -2.137 0.973 1.00 0.00 O ATOM 538 CB TRP A 37 11.079 -2.590 -0.825 1.00 0.00 C ATOM 539 CG TRP A 37 10.498 -2.256 -2.165 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.401 -2.823 -2.747 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.986 -1.279 -3.091 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.177 -2.258 -3.979 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.135 -1.307 -4.213 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.058 -0.383 -3.081 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.325 -0.474 -5.312 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.245 0.444 -4.173 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.382 0.394 -5.275 1.00 0.00 C ATOM 0 H TRP A 37 11.245 -5.117 -0.870 1.00 0.00 H new ATOM 0 HA TRP A 37 13.002 -2.948 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.356 -3.179 -0.260 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.244 -1.667 -0.268 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.798 -3.602 -2.304 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.420 -2.506 -4.616 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.728 -0.337 -2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.662 -0.512 -6.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.071 1.140 -4.176 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.554 1.054 -6.112 1.00 0.00 H new ATOM 558 N HIS A 38 13.744 -4.328 0.861 1.00 0.00 N ATOM 559 CA HIS A 38 14.512 -4.327 2.101 1.00 0.00 C ATOM 560 C HIS A 38 15.803 -3.530 1.939 1.00 0.00 C ATOM 561 O HIS A 38 16.472 -3.588 0.907 1.00 0.00 O ATOM 562 CB HIS A 38 14.834 -5.759 2.528 1.00 0.00 C ATOM 563 CG HIS A 38 14.989 -5.922 4.009 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.183 -5.718 4.667 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.091 -6.270 4.960 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.014 -5.936 5.959 1.00 0.00 C ATOM 567 NE2 HIS A 38 14.753 -6.272 6.163 1.00 0.00 N ATOM 0 H HIS A 38 13.694 -5.235 0.397 1.00 0.00 H new ATOM 0 HA HIS A 38 13.907 -3.853 2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.041 -6.420 2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.754 -6.078 2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.048 -6.503 4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.777 -5.854 6.719 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.338 -6.497 7.067 1.00 0.00 H new ATOM 575 N PRO A 39 16.162 -2.766 2.982 1.00 0.00 N ATOM 576 CA PRO A 39 17.375 -1.943 2.980 1.00 0.00 C ATOM 577 C PRO A 39 18.646 -2.783 3.031 1.00 0.00 C ATOM 578 O PRO A 39 19.604 -2.522 2.303 1.00 0.00 O ATOM 579 CB PRO A 39 17.236 -1.104 4.252 1.00 0.00 C ATOM 580 CG PRO A 39 16.364 -1.914 5.147 1.00 0.00 C ATOM 581 CD PRO A 39 15.412 -2.649 4.244 1.00 0.00 C ATOM 0 HA PRO A 39 17.464 -1.350 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.207 -0.916 4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.790 -0.132 4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.955 -2.611 5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.824 -1.276 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.149 -3.627 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.481 -2.099 4.109 1.00 0.00 H new ATOM 589 N ASP A 40 18.648 -3.792 3.895 1.00 0.00 N ATOM 590 CA ASP A 40 19.802 -4.672 4.040 1.00 0.00 C ATOM 591 C ASP A 40 20.068 -5.437 2.747 1.00 0.00 C ATOM 592 O ASP A 40 21.215 -5.744 2.419 1.00 0.00 O ATOM 593 CB ASP A 40 19.580 -5.654 5.192 1.00 0.00 C ATOM 594 CG ASP A 40 19.848 -5.028 6.546 1.00 0.00 C ATOM 595 OD1 ASP A 40 20.902 -4.376 6.701 1.00 0.00 O ATOM 596 OD2 ASP A 40 19.003 -5.189 7.451 1.00 0.00 O ATOM 0 H ASP A 40 17.864 -4.021 4.506 1.00 0.00 H new ATOM 0 HA ASP A 40 20.673 -4.055 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.554 -6.020 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 40 20.231 -6.518 5.059 1.00 0.00 H new ATOM 601 N LYS A 41 19.002 -5.743 2.017 1.00 0.00 N ATOM 602 CA LYS A 41 19.118 -6.472 0.759 1.00 0.00 C ATOM 603 C LYS A 41 19.650 -5.566 -0.347 1.00 0.00 C ATOM 604 O LYS A 41 20.172 -6.042 -1.354 1.00 0.00 O ATOM 605 CB LYS A 41 17.761 -7.049 0.352 1.00 0.00 C ATOM 606 CG LYS A 41 17.367 -8.288 1.137 1.00 0.00 C ATOM 607 CD LYS A 41 18.254 -9.472 0.792 1.00 0.00 C ATOM 608 CE LYS A 41 17.795 -10.738 1.498 1.00 0.00 C ATOM 609 NZ LYS A 41 18.737 -11.870 1.277 1.00 0.00 N ATOM 0 H LYS A 41 18.046 -5.497 2.275 1.00 0.00 H new ATOM 0 HA LYS A 41 19.823 -7.290 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.995 -6.285 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.783 -7.294 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.435 -8.080 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.327 -8.538 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.245 -9.632 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.284 -9.251 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.704 -10.545 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.804 -11.015 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.388 -12.714 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.805 -12.072 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.677 -11.616 1.643 1.00 0.00 H new ATOM 623 N ASN A 42 19.515 -4.259 -0.151 1.00 0.00 N ATOM 624 CA ASN A 42 19.983 -3.287 -1.133 1.00 0.00 C ATOM 625 C ASN A 42 21.220 -2.552 -0.624 1.00 0.00 C ATOM 626 O ASN A 42 21.136 -1.641 0.199 1.00 0.00 O ATOM 627 CB ASN A 42 18.875 -2.281 -1.454 1.00 0.00 C ATOM 628 CG ASN A 42 17.765 -2.891 -2.289 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.958 -3.204 -3.463 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.595 -3.061 -1.684 1.00 0.00 N ATOM 0 H ASN A 42 19.086 -3.848 0.678 1.00 0.00 H new ATOM 0 HA ASN A 42 20.250 -3.826 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.457 -1.896 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.302 -1.432 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.811 -3.466 -2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.481 -2.787 -0.708 1.00 0.00 H new ATOM 637 N PRO A 43 22.396 -2.957 -1.126 1.00 0.00 N ATOM 638 CA PRO A 43 23.673 -2.351 -0.738 1.00 0.00 C ATOM 639 C PRO A 43 23.825 -0.930 -1.269 1.00 0.00 C ATOM 640 O PRO A 43 24.141 -0.007 -0.518 1.00 0.00 O ATOM 641 CB PRO A 43 24.713 -3.274 -1.377 1.00 0.00 C ATOM 642 CG PRO A 43 24.007 -3.899 -2.530 1.00 0.00 C ATOM 643 CD PRO A 43 22.570 -4.038 -2.110 1.00 0.00 C ATOM 0 HA PRO A 43 23.770 -2.262 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.590 -2.715 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.061 -4.027 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.094 -3.280 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.439 -4.870 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.892 -3.925 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.372 -5.016 -1.672 1.00 0.00 H new ATOM 651 N ASP A 44 23.596 -0.760 -2.566 1.00 0.00 N ATOM 652 CA ASP A 44 23.706 0.550 -3.197 1.00 0.00 C ATOM 653 C ASP A 44 22.925 1.599 -2.412 1.00 0.00 C ATOM 654 O ASP A 44 23.490 2.590 -1.951 1.00 0.00 O ATOM 655 CB ASP A 44 23.196 0.490 -4.638 1.00 0.00 C ATOM 656 CG ASP A 44 23.624 -0.778 -5.352 1.00 0.00 C ATOM 657 OD1 ASP A 44 23.134 -1.864 -4.978 1.00 0.00 O ATOM 658 OD2 ASP A 44 24.449 -0.683 -6.284 1.00 0.00 O ATOM 0 H ASP A 44 23.333 -1.513 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 44 24.758 0.835 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.108 0.554 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.566 1.355 -5.188 1.00 0.00 H new ATOM 663 N ASN A 45 21.624 1.373 -2.264 1.00 0.00 N ATOM 664 CA ASN A 45 20.765 2.300 -1.535 1.00 0.00 C ATOM 665 C ASN A 45 20.013 1.581 -0.420 1.00 0.00 C ATOM 666 O ASN A 45 19.176 0.715 -0.677 1.00 0.00 O ATOM 667 CB ASN A 45 19.772 2.965 -2.490 1.00 0.00 C ATOM 668 CG ASN A 45 19.146 1.976 -3.454 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.838 1.360 -4.265 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.830 1.820 -3.370 1.00 0.00 N ATOM 0 H ASN A 45 21.141 0.556 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 45 21.397 3.067 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.986 3.452 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.282 3.745 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.353 1.168 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.296 2.352 -2.682 1.00 0.00 H new ATOM 677 N LYS A 46 20.315 1.946 0.821 1.00 0.00 N ATOM 678 CA LYS A 46 19.667 1.339 1.978 1.00 0.00 C ATOM 679 C LYS A 46 18.441 2.144 2.399 1.00 0.00 C ATOM 680 O LYS A 46 17.324 1.628 2.411 1.00 0.00 O ATOM 681 CB LYS A 46 20.651 1.239 3.146 1.00 0.00 C ATOM 682 CG LYS A 46 21.515 -0.009 3.108 1.00 0.00 C ATOM 683 CD LYS A 46 22.802 0.226 2.335 1.00 0.00 C ATOM 684 CE LYS A 46 23.928 -0.659 2.846 1.00 0.00 C ATOM 685 NZ LYS A 46 25.267 -0.075 2.556 1.00 0.00 N ATOM 0 H LYS A 46 21.006 2.660 1.052 1.00 0.00 H new ATOM 0 HA LYS A 46 19.343 0.337 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.296 2.118 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.093 1.256 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.752 -0.319 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.957 -0.825 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.633 0.027 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.093 1.273 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.819 -0.801 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.854 -1.644 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 26.008 -0.739 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.355 0.100 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.374 0.822 3.072 1.00 0.00 H new ATOM 699 N GLU A 47 18.659 3.410 2.742 1.00 0.00 N ATOM 700 CA GLU A 47 17.571 4.284 3.163 1.00 0.00 C ATOM 701 C GLU A 47 16.425 4.251 2.156 1.00 0.00 C ATOM 702 O GLU A 47 15.304 3.869 2.489 1.00 0.00 O ATOM 703 CB GLU A 47 18.076 5.719 3.330 1.00 0.00 C ATOM 704 CG GLU A 47 17.285 6.529 4.344 1.00 0.00 C ATOM 705 CD GLU A 47 18.005 7.793 4.771 1.00 0.00 C ATOM 706 OE1 GLU A 47 18.767 8.347 3.950 1.00 0.00 O ATOM 707 OE2 GLU A 47 17.808 8.228 5.924 1.00 0.00 O ATOM 0 H GLU A 47 19.578 3.852 2.736 1.00 0.00 H new ATOM 0 HA GLU A 47 17.199 3.923 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.122 5.694 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.037 6.224 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.318 6.793 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.089 5.913 5.222 1.00 0.00 H new ATOM 714 N GLU A 48 16.717 4.655 0.923 1.00 0.00 N ATOM 715 CA GLU A 48 15.710 4.672 -0.132 1.00 0.00 C ATOM 716 C GLU A 48 14.798 3.453 -0.034 1.00 0.00 C ATOM 717 O GLU A 48 13.576 3.583 0.035 1.00 0.00 O ATOM 718 CB GLU A 48 16.381 4.712 -1.506 1.00 0.00 C ATOM 719 CG GLU A 48 15.400 4.650 -2.665 1.00 0.00 C ATOM 720 CD GLU A 48 15.970 5.230 -3.944 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.318 6.430 -3.947 1.00 0.00 O ATOM 722 OE2 GLU A 48 16.069 4.486 -4.942 1.00 0.00 O ATOM 0 H GLU A 48 17.641 4.974 0.631 1.00 0.00 H new ATOM 0 HA GLU A 48 15.103 5.568 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.969 5.626 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.077 3.877 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.113 3.613 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.493 5.192 -2.398 1.00 0.00 H new ATOM 729 N ALA A 49 15.401 2.269 -0.029 1.00 0.00 N ATOM 730 CA ALA A 49 14.644 1.027 0.062 1.00 0.00 C ATOM 731 C ALA A 49 13.810 0.984 1.338 1.00 0.00 C ATOM 732 O ALA A 49 12.629 0.642 1.306 1.00 0.00 O ATOM 733 CB ALA A 49 15.583 -0.169 0.003 1.00 0.00 C ATOM 0 H ALA A 49 16.412 2.144 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 49 13.963 0.983 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.004 -1.090 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.131 -0.155 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.287 -0.120 0.834 1.00 0.00 H new ATOM 739 N GLU A 50 14.433 1.334 2.459 1.00 0.00 N ATOM 740 CA GLU A 50 13.747 1.333 3.746 1.00 0.00 C ATOM 741 C GLU A 50 12.400 2.044 3.644 1.00 0.00 C ATOM 742 O GLU A 50 11.371 1.509 4.057 1.00 0.00 O ATOM 743 CB GLU A 50 14.613 2.008 4.811 1.00 0.00 C ATOM 744 CG GLU A 50 14.189 1.687 6.234 1.00 0.00 C ATOM 745 CD GLU A 50 14.969 2.476 7.268 1.00 0.00 C ATOM 746 OE1 GLU A 50 16.216 2.436 7.227 1.00 0.00 O ATOM 747 OE2 GLU A 50 14.332 3.134 8.117 1.00 0.00 O ATOM 0 H GLU A 50 15.411 1.622 2.502 1.00 0.00 H new ATOM 0 HA GLU A 50 13.571 0.297 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.650 1.701 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.578 3.088 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.126 1.897 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.325 0.621 6.418 1.00 0.00 H new ATOM 754 N LYS A 51 12.416 3.252 3.093 1.00 0.00 N ATOM 755 CA LYS A 51 11.198 4.038 2.936 1.00 0.00 C ATOM 756 C LYS A 51 10.069 3.184 2.366 1.00 0.00 C ATOM 757 O LYS A 51 9.027 3.012 2.997 1.00 0.00 O ATOM 758 CB LYS A 51 11.455 5.238 2.022 1.00 0.00 C ATOM 759 CG LYS A 51 10.192 5.988 1.633 1.00 0.00 C ATOM 760 CD LYS A 51 9.525 6.622 2.842 1.00 0.00 C ATOM 761 CE LYS A 51 8.644 7.795 2.442 1.00 0.00 C ATOM 762 NZ LYS A 51 7.326 7.344 1.915 1.00 0.00 N ATOM 0 H LYS A 51 13.260 3.709 2.747 1.00 0.00 H new ATOM 0 HA LYS A 51 10.897 4.397 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.136 5.926 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.957 4.894 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.437 6.761 0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.495 5.303 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.924 5.875 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.287 6.961 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.488 8.443 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.154 8.390 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.838 8.146 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.472 6.592 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.746 6.978 2.697 1.00 0.00 H new ATOM 776 N LYS A 52 10.285 2.649 1.169 1.00 0.00 N ATOM 777 CA LYS A 52 9.289 1.810 0.514 1.00 0.00 C ATOM 778 C LYS A 52 8.770 0.738 1.466 1.00 0.00 C ATOM 779 O LYS A 52 7.573 0.453 1.503 1.00 0.00 O ATOM 780 CB LYS A 52 9.884 1.155 -0.734 1.00 0.00 C ATOM 781 CG LYS A 52 10.299 2.149 -1.805 1.00 0.00 C ATOM 782 CD LYS A 52 9.148 2.470 -2.743 1.00 0.00 C ATOM 783 CE LYS A 52 9.575 3.433 -3.840 1.00 0.00 C ATOM 784 NZ LYS A 52 8.411 3.939 -4.619 1.00 0.00 N ATOM 0 H LYS A 52 11.142 2.782 0.632 1.00 0.00 H new ATOM 0 HA LYS A 52 8.453 2.445 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.752 0.563 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.153 0.465 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.653 3.066 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.133 1.742 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.775 1.549 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.325 2.905 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.109 4.274 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.271 2.932 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.744 4.592 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.916 3.139 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.759 4.440 -3.982 1.00 0.00 H new ATOM 798 N PHE A 53 9.678 0.147 2.236 1.00 0.00 N ATOM 799 CA PHE A 53 9.311 -0.894 3.189 1.00 0.00 C ATOM 800 C PHE A 53 8.049 -0.509 3.956 1.00 0.00 C ATOM 801 O PHE A 53 7.090 -1.278 4.022 1.00 0.00 O ATOM 802 CB PHE A 53 10.460 -1.146 4.168 1.00 0.00 C ATOM 803 CG PHE A 53 10.341 -2.446 4.910 1.00 0.00 C ATOM 804 CD1 PHE A 53 10.366 -3.653 4.228 1.00 0.00 C ATOM 805 CD2 PHE A 53 10.205 -2.463 6.289 1.00 0.00 C ATOM 806 CE1 PHE A 53 10.256 -4.851 4.908 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.095 -3.658 6.974 1.00 0.00 C ATOM 808 CZ PHE A 53 10.121 -4.854 6.283 1.00 0.00 C ATOM 0 H PHE A 53 10.673 0.371 2.219 1.00 0.00 H new ATOM 0 HA PHE A 53 9.111 -1.809 2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.402 -1.134 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.499 -0.328 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.473 -3.657 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.185 -1.531 6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.276 -5.784 4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.989 -3.657 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.036 -5.789 6.816 1.00 0.00 H new ATOM 818 N LYS A 54 8.058 0.686 4.536 1.00 0.00 N ATOM 819 CA LYS A 54 6.915 1.176 5.298 1.00 0.00 C ATOM 820 C LYS A 54 5.644 1.141 4.456 1.00 0.00 C ATOM 821 O LYS A 54 4.587 0.719 4.926 1.00 0.00 O ATOM 822 CB LYS A 54 7.176 2.602 5.788 1.00 0.00 C ATOM 823 CG LYS A 54 6.403 2.965 7.044 1.00 0.00 C ATOM 824 CD LYS A 54 6.534 4.442 7.372 1.00 0.00 C ATOM 825 CE LYS A 54 6.286 4.709 8.849 1.00 0.00 C ATOM 826 NZ LYS A 54 6.546 6.131 9.207 1.00 0.00 N ATOM 0 H LYS A 54 8.845 1.334 4.493 1.00 0.00 H new ATOM 0 HA LYS A 54 6.777 0.522 6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.242 2.722 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.915 3.303 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.351 2.713 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.769 2.371 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.531 4.789 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.824 5.013 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.255 4.455 9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.926 4.061 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.366 6.272 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.537 6.367 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.918 6.749 8.655 1.00 0.00 H new ATOM 840 N LEU A 55 5.753 1.585 3.208 1.00 0.00 N ATOM 841 CA LEU A 55 4.613 1.603 2.300 1.00 0.00 C ATOM 842 C LEU A 55 4.034 0.202 2.125 1.00 0.00 C ATOM 843 O LEU A 55 2.827 -0.003 2.256 1.00 0.00 O ATOM 844 CB LEU A 55 5.027 2.169 0.940 1.00 0.00 C ATOM 845 CG LEU A 55 4.950 3.689 0.795 1.00 0.00 C ATOM 846 CD1 LEU A 55 3.528 4.176 1.025 1.00 0.00 C ATOM 847 CD2 LEU A 55 5.910 4.367 1.761 1.00 0.00 C ATOM 0 H LEU A 55 6.620 1.937 2.803 1.00 0.00 H new ATOM 0 HA LEU A 55 3.845 2.243 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.051 1.856 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.396 1.718 0.174 1.00 0.00 H new ATOM 0 HG LEU A 55 5.243 3.952 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.493 5.260 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.863 3.717 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.207 3.900 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.841 5.448 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.649 4.096 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.929 4.043 1.549 1.00 0.00 H new ATOM 859 N VAL A 56 4.903 -0.759 1.830 1.00 0.00 N ATOM 860 CA VAL A 56 4.479 -2.141 1.641 1.00 0.00 C ATOM 861 C VAL A 56 3.785 -2.679 2.887 1.00 0.00 C ATOM 862 O VAL A 56 2.744 -3.331 2.798 1.00 0.00 O ATOM 863 CB VAL A 56 5.672 -3.053 1.297 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.226 -4.504 1.203 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.330 -2.603 0.001 1.00 0.00 C ATOM 0 H VAL A 56 5.905 -0.606 1.717 1.00 0.00 H new ATOM 0 HA VAL A 56 3.777 -2.144 0.808 1.00 0.00 H new ATOM 0 HB VAL A 56 6.408 -2.976 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.082 -5.133 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.805 -4.818 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.470 -4.603 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.171 -3.258 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.604 -2.649 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.687 -1.579 0.111 1.00 0.00 H new ATOM 875 N SER A 57 4.367 -2.400 4.049 1.00 0.00 N ATOM 876 CA SER A 57 3.807 -2.859 5.314 1.00 0.00 C ATOM 877 C SER A 57 2.452 -2.207 5.576 1.00 0.00 C ATOM 878 O SER A 57 1.486 -2.882 5.929 1.00 0.00 O ATOM 879 CB SER A 57 4.766 -2.546 6.464 1.00 0.00 C ATOM 880 OG SER A 57 4.212 -2.933 7.710 1.00 0.00 O ATOM 0 H SER A 57 5.226 -1.858 4.140 1.00 0.00 H new ATOM 0 HA SER A 57 3.666 -3.938 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.711 -3.066 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.988 -1.479 6.477 1.00 0.00 H new ATOM 0 HG SER A 57 4.845 -2.724 8.428 1.00 0.00 H new ATOM 886 N GLU A 58 2.392 -0.891 5.401 1.00 0.00 N ATOM 887 CA GLU A 58 1.156 -0.148 5.619 1.00 0.00 C ATOM 888 C GLU A 58 0.089 -0.558 4.608 1.00 0.00 C ATOM 889 O GLU A 58 -0.969 -1.066 4.979 1.00 0.00 O ATOM 890 CB GLU A 58 1.416 1.357 5.521 1.00 0.00 C ATOM 891 CG GLU A 58 0.192 2.207 5.818 1.00 0.00 C ATOM 892 CD GLU A 58 -0.352 1.978 7.215 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.431 2.082 8.181 1.00 0.00 O ATOM 894 OE2 GLU A 58 -1.562 1.696 7.341 1.00 0.00 O ATOM 0 H GLU A 58 3.184 -0.318 5.109 1.00 0.00 H new ATOM 0 HA GLU A 58 0.793 -0.382 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.212 1.626 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.776 1.591 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.448 3.260 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.586 1.984 5.088 1.00 0.00 H new ATOM 901 N ALA A 59 0.375 -0.332 3.330 1.00 0.00 N ATOM 902 CA ALA A 59 -0.558 -0.679 2.266 1.00 0.00 C ATOM 903 C ALA A 59 -1.017 -2.128 2.388 1.00 0.00 C ATOM 904 O ALA A 59 -2.210 -2.420 2.310 1.00 0.00 O ATOM 905 CB ALA A 59 0.080 -0.438 0.906 1.00 0.00 C ATOM 0 H ALA A 59 1.246 0.090 3.007 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.435 -0.039 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.628 -0.701 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.351 0.614 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.975 -1.053 0.810 1.00 0.00 H new ATOM 911 N TYR A 60 -0.062 -3.031 2.580 1.00 0.00 N ATOM 912 CA TYR A 60 -0.368 -4.451 2.710 1.00 0.00 C ATOM 913 C TYR A 60 -1.502 -4.675 3.706 1.00 0.00 C ATOM 914 O TYR A 60 -2.361 -5.531 3.501 1.00 0.00 O ATOM 915 CB TYR A 60 0.875 -5.223 3.154 1.00 0.00 C ATOM 916 CG TYR A 60 0.578 -6.629 3.625 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.269 -7.460 2.902 1.00 0.00 C ATOM 918 CD2 TYR A 60 1.144 -7.126 4.792 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.544 -8.745 3.329 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.876 -8.410 5.226 1.00 0.00 C ATOM 921 CZ TYR A 60 0.032 -9.216 4.491 1.00 0.00 C ATOM 922 OH TYR A 60 -0.239 -10.495 4.920 1.00 0.00 O ATOM 0 H TYR A 60 0.930 -2.805 2.649 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.687 -4.819 1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.580 -5.268 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.365 -4.675 3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.720 -7.095 1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.805 -6.498 5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.206 -9.377 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.325 -8.780 6.136 1.00 0.00 H new ATOM 0 HH TYR A 60 0.246 -10.670 5.753 1.00 0.00 H new ATOM 932 N GLU A 61 -1.497 -3.897 4.784 1.00 0.00 N ATOM 933 CA GLU A 61 -2.525 -4.010 5.812 1.00 0.00 C ATOM 934 C GLU A 61 -3.830 -3.370 5.348 1.00 0.00 C ATOM 935 O GLU A 61 -4.906 -3.947 5.503 1.00 0.00 O ATOM 936 CB GLU A 61 -2.054 -3.351 7.110 1.00 0.00 C ATOM 937 CG GLU A 61 -0.796 -3.978 7.689 1.00 0.00 C ATOM 938 CD GLU A 61 -0.163 -3.122 8.769 1.00 0.00 C ATOM 939 OE1 GLU A 61 0.173 -1.954 8.481 1.00 0.00 O ATOM 940 OE2 GLU A 61 -0.003 -3.621 9.903 1.00 0.00 O ATOM 0 H GLU A 61 -0.793 -3.182 4.968 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.705 -5.069 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.870 -2.293 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.853 -3.411 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.039 -4.957 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.074 -4.140 6.889 1.00 0.00 H new ATOM 947 N VAL A 62 -3.727 -2.173 4.779 1.00 0.00 N ATOM 948 CA VAL A 62 -4.898 -1.454 4.293 1.00 0.00 C ATOM 949 C VAL A 62 -5.792 -2.363 3.456 1.00 0.00 C ATOM 950 O VAL A 62 -7.019 -2.290 3.537 1.00 0.00 O ATOM 951 CB VAL A 62 -4.495 -0.231 3.449 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.714 0.377 2.773 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.784 0.801 4.312 1.00 0.00 C ATOM 0 H VAL A 62 -2.844 -1.681 4.643 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.449 -1.115 5.171 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.805 -0.560 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.409 1.240 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.177 -0.365 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.431 0.692 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.506 1.659 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.449 1.127 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.887 0.358 4.744 1.00 0.00 H new ATOM 963 N LEU A 63 -5.170 -3.218 2.653 1.00 0.00 N ATOM 964 CA LEU A 63 -5.909 -4.143 1.800 1.00 0.00 C ATOM 965 C LEU A 63 -6.148 -5.470 2.514 1.00 0.00 C ATOM 966 O LEU A 63 -7.259 -5.998 2.507 1.00 0.00 O ATOM 967 CB LEU A 63 -5.148 -4.383 0.495 1.00 0.00 C ATOM 968 CG LEU A 63 -4.739 -3.132 -0.284 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.835 -3.501 -1.449 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.970 -2.385 -0.776 1.00 0.00 C ATOM 0 H LEU A 63 -4.156 -3.291 2.574 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.876 -3.695 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.249 -4.955 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.766 -5.004 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.184 -2.475 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.554 -2.598 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.938 -3.992 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.364 -4.178 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.661 -1.498 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.553 -3.034 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.580 -2.087 0.077 1.00 0.00 H new ATOM 982 N SER A 64 -5.097 -6.001 3.131 1.00 0.00 N ATOM 983 CA SER A 64 -5.192 -7.267 3.849 1.00 0.00 C ATOM 984 C SER A 64 -6.456 -7.314 4.703 1.00 0.00 C ATOM 985 O SER A 64 -7.169 -8.317 4.722 1.00 0.00 O ATOM 986 CB SER A 64 -3.959 -7.471 4.731 1.00 0.00 C ATOM 987 OG SER A 64 -4.106 -8.613 5.557 1.00 0.00 O ATOM 0 H SER A 64 -4.171 -5.575 3.148 1.00 0.00 H new ATOM 0 HA SER A 64 -5.241 -8.070 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.074 -7.583 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.801 -6.588 5.350 1.00 0.00 H new ATOM 0 HG SER A 64 -3.304 -8.722 6.110 1.00 0.00 H new ATOM 993 N ASP A 65 -6.726 -6.221 5.409 1.00 0.00 N ATOM 994 CA ASP A 65 -7.903 -6.135 6.265 1.00 0.00 C ATOM 995 C ASP A 65 -9.174 -6.008 5.430 1.00 0.00 C ATOM 996 O ASP A 65 -9.117 -5.722 4.234 1.00 0.00 O ATOM 997 CB ASP A 65 -7.782 -4.945 7.217 1.00 0.00 C ATOM 998 CG ASP A 65 -6.994 -5.281 8.467 1.00 0.00 C ATOM 999 OD1 ASP A 65 -5.940 -5.941 8.345 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -7.429 -4.883 9.568 1.00 0.00 O ATOM 0 H ASP A 65 -6.145 -5.382 5.405 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.964 -7.053 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.299 -4.117 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.779 -4.607 7.500 1.00 0.00 H new ATOM 1005 N SER A 66 -10.320 -6.223 6.068 1.00 0.00 N ATOM 1006 CA SER A 66 -11.604 -6.137 5.384 1.00 0.00 C ATOM 1007 C SER A 66 -12.201 -4.740 5.523 1.00 0.00 C ATOM 1008 O SER A 66 -12.727 -4.178 4.562 1.00 0.00 O ATOM 1009 CB SER A 66 -12.576 -7.178 5.945 1.00 0.00 C ATOM 1010 OG SER A 66 -12.961 -6.853 7.269 1.00 0.00 O ATOM 0 H SER A 66 -10.385 -6.458 7.058 1.00 0.00 H new ATOM 0 HA SER A 66 -11.438 -6.339 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.460 -7.235 5.309 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.108 -8.162 5.930 1.00 0.00 H new ATOM 0 HG SER A 66 -13.583 -7.532 7.605 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.117 -4.185 6.727 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.647 -2.853 6.994 1.00 0.00 C ATOM 1018 C LYS A 67 -11.760 -1.779 6.372 1.00 0.00 C ATOM 1019 O LYS A 67 -12.251 -0.766 5.874 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.763 -2.621 8.503 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.422 -2.521 9.208 1.00 0.00 C ATOM 1022 CD LYS A 67 -10.929 -1.085 9.267 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.716 -0.267 10.281 1.00 0.00 C ATOM 1024 NZ LYS A 67 -11.275 1.155 10.307 1.00 0.00 N ATOM 0 H LYS A 67 -11.687 -4.637 7.534 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.638 -2.787 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.326 -1.704 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.336 -3.436 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.511 -2.918 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.689 -3.137 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.871 -1.073 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.018 -0.628 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.778 -0.314 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.595 -0.703 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.077 1.762 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.510 1.269 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.930 1.429 9.365 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.452 -2.008 6.402 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.496 -1.063 5.838 1.00 0.00 C ATOM 1040 C LYS A 68 -9.596 -1.029 4.316 1.00 0.00 C ATOM 1041 O LYS A 68 -9.674 0.041 3.713 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.072 -1.434 6.257 1.00 0.00 C ATOM 1043 CG LYS A 68 -7.877 -1.492 7.763 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.414 -1.335 8.142 1.00 0.00 C ATOM 1045 CE LYS A 68 -5.968 0.116 8.052 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.484 0.241 8.051 1.00 0.00 N ATOM 0 H LYS A 68 -10.029 -2.841 6.811 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.735 -0.072 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.817 -2.403 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.377 -0.707 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.463 -0.705 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.252 -2.442 8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.258 -1.702 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.799 -1.948 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.371 0.564 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.379 0.675 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.220 1.245 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.101 -0.164 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.093 -0.271 7.235 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.596 -2.208 3.702 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.688 -2.312 2.250 1.00 0.00 C ATOM 1062 C ARG A 69 -11.028 -1.781 1.750 1.00 0.00 C ATOM 1063 O ARG A 69 -11.089 -1.066 0.750 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.508 -3.767 1.810 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.282 -3.927 0.316 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.576 -5.347 -0.142 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.907 -5.665 -1.401 1.00 0.00 N ATOM 1068 CZ ARG A 69 -9.019 -6.837 -2.017 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.770 -7.796 -1.493 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.380 -7.051 -3.160 1.00 0.00 N ATOM 0 H ARG A 69 -9.533 -3.103 4.186 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.892 -1.706 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.662 -4.198 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.391 -4.337 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.920 -3.229 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.251 -3.671 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.255 -6.050 0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.652 -5.474 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.322 -4.948 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.263 -7.635 -0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.854 -8.695 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.802 -6.315 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.467 -7.951 -3.632 1.00 0.00 H new ATOM 1084 N SER A 70 -12.099 -2.134 2.454 1.00 0.00 N ATOM 1085 CA SER A 70 -13.438 -1.696 2.079 1.00 0.00 C ATOM 1086 C SER A 70 -13.579 -0.185 2.235 1.00 0.00 C ATOM 1087 O SER A 70 -14.026 0.507 1.319 1.00 0.00 O ATOM 1088 CB SER A 70 -14.488 -2.409 2.933 1.00 0.00 C ATOM 1089 OG SER A 70 -14.720 -3.726 2.463 1.00 0.00 O ATOM 0 H SER A 70 -12.065 -2.722 3.287 1.00 0.00 H new ATOM 0 HA SER A 70 -13.597 -1.952 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.155 -2.443 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.420 -1.844 2.916 1.00 0.00 H new ATOM 0 HG SER A 70 -14.162 -4.356 2.965 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.196 0.320 3.402 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.279 1.750 3.681 1.00 0.00 C ATOM 1097 C LEU A 71 -12.558 2.557 2.606 1.00 0.00 C ATOM 1098 O LEU A 71 -13.099 3.530 2.079 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.678 2.058 5.054 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.644 1.996 6.238 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.887 1.734 7.531 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.446 3.285 6.339 1.00 0.00 C ATOM 0 H LEU A 71 -12.825 -0.239 4.170 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.331 2.035 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.864 1.357 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.239 3.055 5.021 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.338 1.172 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.590 1.693 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.358 0.784 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.170 2.537 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.128 3.224 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.767 4.126 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.018 3.430 5.423 1.00 0.00 H new