USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 773 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 79 ASN : amide:sc= 0.677 K(o=0.97,f=-1.5!) USER MOD Set 1.2: A 98 SER OG : rot -48:sc= 0.291 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -6.97! C(o=-7!,f=-6.5!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -1.86 (180deg=-4.17!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -14.2! C(o=-14!,f=-18!) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 1.21 (180deg=-0.255) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 94 GLN : amide:sc= -0.215 K(o=-0.22,f=-2.7!) USER MOD Single : A 96 GLN :FLIP amide:sc= -2.16 F(o=-2.9!,f=-2.2) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.111 11.281 -17.879 1.00 0.00 N ATOM 84 CA ALA A 9 10.899 10.878 -16.721 1.00 0.00 C ATOM 85 C ALA A 9 11.217 9.388 -16.764 1.00 0.00 C ATOM 86 O ALA A 9 10.647 8.645 -17.562 1.00 0.00 O ATOM 87 CB ALA A 9 10.162 11.225 -15.435 1.00 0.00 C ATOM 0 HA ALA A 9 11.842 11.425 -16.746 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.762 10.919 -14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.991 12.301 -15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.205 10.705 -15.413 1.00 0.00 H new ATOM 93 N ALA A 10 12.133 8.958 -15.902 1.00 0.00 N ATOM 94 CA ALA A 10 12.526 7.556 -15.842 1.00 0.00 C ATOM 95 C ALA A 10 11.720 6.804 -14.788 1.00 0.00 C ATOM 96 O ALA A 10 11.253 7.377 -13.804 1.00 0.00 O ATOM 97 CB ALA A 10 14.016 7.437 -15.554 1.00 0.00 C ATOM 0 H ALA A 10 12.616 9.561 -15.236 1.00 0.00 H new ATOM 0 HA ALA A 10 12.317 7.104 -16.812 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.296 6.384 -15.512 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.580 7.931 -16.345 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.241 7.911 -14.598 1.00 0.00 H new ATOM 103 N PRO A 11 11.552 5.490 -14.997 1.00 0.00 N ATOM 104 CA PRO A 11 10.802 4.631 -14.076 1.00 0.00 C ATOM 105 C PRO A 11 11.529 4.427 -12.751 1.00 0.00 C ATOM 106 O PRO A 11 12.759 4.383 -12.707 1.00 0.00 O ATOM 107 CB PRO A 11 10.691 3.307 -14.835 1.00 0.00 C ATOM 108 CG PRO A 11 11.856 3.304 -15.764 1.00 0.00 C ATOM 109 CD PRO A 11 12.081 4.740 -16.149 1.00 0.00 C ATOM 0 HA PRO A 11 9.839 5.065 -13.807 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.725 2.456 -14.154 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.750 3.241 -15.380 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.739 2.886 -15.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.653 2.691 -16.642 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.138 4.951 -16.315 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.557 4.996 -17.070 1.00 0.00 H new ATOM 117 N LEU A 12 10.763 4.303 -11.673 1.00 0.00 N ATOM 118 CA LEU A 12 11.335 4.103 -10.347 1.00 0.00 C ATOM 119 C LEU A 12 11.187 2.651 -9.903 1.00 0.00 C ATOM 120 O LEU A 12 10.233 1.970 -10.283 1.00 0.00 O ATOM 121 CB LEU A 12 10.660 5.029 -9.333 1.00 0.00 C ATOM 122 CG LEU A 12 10.562 6.502 -9.731 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.699 7.267 -8.739 1.00 0.00 C ATOM 124 CD2 LEU A 12 11.949 7.122 -9.824 1.00 0.00 C ATOM 0 H LEU A 12 9.744 4.337 -11.692 1.00 0.00 H new ATOM 0 HA LEU A 12 12.397 4.342 -10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.653 4.656 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.205 4.963 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 12 10.092 6.563 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.641 8.313 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.697 6.838 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.140 7.198 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.861 8.171 -10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.446 7.049 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.535 6.591 -10.574 1.00 0.00 H new ATOM 136 N CYS A 13 12.134 2.185 -9.097 1.00 0.00 N ATOM 137 CA CYS A 13 12.108 0.813 -8.600 1.00 0.00 C ATOM 138 C CYS A 13 12.131 0.787 -7.076 1.00 0.00 C ATOM 139 O CYS A 13 13.104 1.210 -6.451 1.00 0.00 O ATOM 140 CB CYS A 13 13.297 0.026 -9.154 1.00 0.00 C ATOM 141 SG CYS A 13 13.113 -0.471 -10.883 1.00 0.00 S ATOM 0 H CYS A 13 12.929 2.736 -8.773 1.00 0.00 H new ATOM 0 HA CYS A 13 11.183 0.347 -8.939 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.198 0.632 -9.055 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.444 -0.866 -8.545 1.00 0.00 H new ATOM 0 HG CYS A 13 14.169 -1.128 -11.260 1.00 0.00 H new ATOM 147 N VAL A 14 11.051 0.288 -6.482 1.00 0.00 N ATOM 148 CA VAL A 14 10.946 0.207 -5.030 1.00 0.00 C ATOM 149 C VAL A 14 10.688 -1.225 -4.577 1.00 0.00 C ATOM 150 O VAL A 14 10.103 -2.024 -5.309 1.00 0.00 O ATOM 151 CB VAL A 14 9.821 1.114 -4.497 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.041 2.553 -4.938 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.464 0.606 -4.960 1.00 0.00 C ATOM 0 H VAL A 14 10.237 -0.066 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 14 11.899 0.547 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 14 9.841 1.087 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.236 3.179 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.996 2.910 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.049 2.603 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.680 1.258 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.429 0.602 -6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.308 -0.407 -4.588 1.00 0.00 H new ATOM 163 N LYS A 15 11.127 -1.545 -3.364 1.00 0.00 N ATOM 164 CA LYS A 15 10.942 -2.881 -2.810 1.00 0.00 C ATOM 165 C LYS A 15 9.787 -2.902 -1.814 1.00 0.00 C ATOM 166 O LYS A 15 9.838 -2.245 -0.774 1.00 0.00 O ATOM 167 CB LYS A 15 12.227 -3.355 -2.127 1.00 0.00 C ATOM 168 CG LYS A 15 13.187 -4.067 -3.064 1.00 0.00 C ATOM 169 CD LYS A 15 14.609 -4.043 -2.529 1.00 0.00 C ATOM 170 CE LYS A 15 15.294 -2.718 -2.827 1.00 0.00 C ATOM 171 NZ LYS A 15 16.776 -2.829 -2.743 1.00 0.00 N ATOM 0 H LYS A 15 11.614 -0.896 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 15 10.703 -3.557 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.733 -2.496 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.967 -4.026 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.866 -5.100 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.158 -3.593 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.597 -4.214 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.180 -4.857 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.011 -2.379 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.946 -1.963 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.206 -1.905 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.048 -3.128 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.111 -3.531 -3.433 1.00 0.00 H new ATOM 185 N VAL A 16 8.745 -3.662 -2.139 1.00 0.00 N ATOM 186 CA VAL A 16 7.578 -3.771 -1.271 1.00 0.00 C ATOM 187 C VAL A 16 7.620 -5.056 -0.452 1.00 0.00 C ATOM 188 O VAL A 16 7.866 -6.136 -0.988 1.00 0.00 O ATOM 189 CB VAL A 16 6.270 -3.735 -2.084 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.070 -3.936 -1.171 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.155 -2.426 -2.850 1.00 0.00 C ATOM 0 H VAL A 16 8.685 -4.211 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 16 7.603 -2.914 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 16 6.288 -4.551 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.154 -3.908 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.150 -4.902 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.044 -3.143 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.225 -2.418 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.158 -1.592 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.999 -2.329 -3.533 1.00 0.00 H new ATOM 201 N GLU A 17 7.379 -4.930 0.849 1.00 0.00 N ATOM 202 CA GLU A 17 7.389 -6.083 1.742 1.00 0.00 C ATOM 203 C GLU A 17 6.118 -6.131 2.584 1.00 0.00 C ATOM 204 O GLU A 17 5.780 -5.168 3.273 1.00 0.00 O ATOM 205 CB GLU A 17 8.617 -6.038 2.654 1.00 0.00 C ATOM 206 CG GLU A 17 8.979 -7.386 3.255 1.00 0.00 C ATOM 207 CD GLU A 17 10.003 -7.273 4.367 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.073 -6.200 5.001 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.735 -8.257 4.602 1.00 0.00 O ATOM 0 H GLU A 17 7.175 -4.042 1.308 1.00 0.00 H new ATOM 0 HA GLU A 17 7.432 -6.984 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.468 -5.663 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.434 -5.327 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.078 -7.860 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.369 -8.036 2.472 1.00 0.00 H new ATOM 216 N PHE A 18 5.416 -7.257 2.522 1.00 0.00 N ATOM 217 CA PHE A 18 4.180 -7.431 3.277 1.00 0.00 C ATOM 218 C PHE A 18 4.386 -8.394 4.442 1.00 0.00 C ATOM 219 O PHE A 18 4.974 -9.463 4.282 1.00 0.00 O ATOM 220 CB PHE A 18 3.068 -7.949 2.363 1.00 0.00 C ATOM 221 CG PHE A 18 2.678 -6.979 1.284 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.684 -6.039 1.506 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.305 -7.006 0.049 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.323 -5.145 0.516 1.00 0.00 C ATOM 225 CE2 PHE A 18 2.948 -6.115 -0.945 1.00 0.00 C ATOM 226 CZ PHE A 18 1.956 -5.183 -0.711 1.00 0.00 C ATOM 0 H PHE A 18 5.682 -8.063 1.957 1.00 0.00 H new ATOM 0 HA PHE A 18 3.888 -6.460 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.393 -8.882 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.191 -8.180 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.186 -6.005 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.082 -7.732 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.547 -4.417 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.444 -6.147 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.676 -4.485 -1.486 1.00 0.00 H new ATOM 236 N GLY A 19 3.897 -8.007 5.616 1.00 0.00 N ATOM 237 CA GLY A 19 4.037 -8.846 6.792 1.00 0.00 C ATOM 238 C GLY A 19 2.747 -8.962 7.579 1.00 0.00 C ATOM 239 O GLY A 19 2.412 -8.081 8.369 1.00 0.00 O ATOM 0 H GLY A 19 3.406 -7.127 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.364 -9.840 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.816 -8.437 7.436 1.00 0.00 H new ATOM 243 N GLY A 20 2.018 -10.052 7.360 1.00 0.00 N ATOM 244 CA GLY A 20 0.764 -10.260 8.061 1.00 0.00 C ATOM 245 C GLY A 20 -0.239 -11.040 7.235 1.00 0.00 C ATOM 246 O GLY A 20 -1.443 -10.800 7.319 1.00 0.00 O ATOM 0 H GLY A 20 2.273 -10.795 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.956 -10.793 8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.336 -9.294 8.329 1.00 0.00 H new ATOM 250 N GLY A 21 0.257 -11.976 6.433 1.00 0.00 N ATOM 251 CA GLY A 21 -0.618 -12.779 5.599 1.00 0.00 C ATOM 252 C GLY A 21 -1.091 -12.031 4.367 1.00 0.00 C ATOM 253 O GLY A 21 -1.881 -12.554 3.581 1.00 0.00 O ATOM 0 H GLY A 21 1.250 -12.193 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.093 -13.684 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.483 -13.095 6.183 1.00 0.00 H new ATOM 257 N ALA A 22 -0.608 -10.805 4.200 1.00 0.00 N ATOM 258 CA ALA A 22 -0.986 -9.984 3.056 1.00 0.00 C ATOM 259 C ALA A 22 -0.194 -10.377 1.814 1.00 0.00 C ATOM 260 O ALA A 22 -0.651 -10.181 0.688 1.00 0.00 O ATOM 261 CB ALA A 22 -0.780 -8.510 3.372 1.00 0.00 C ATOM 0 H ALA A 22 0.046 -10.358 4.842 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.043 -10.155 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.066 -7.909 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.395 -8.232 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.269 -8.331 3.606 1.00 0.00 H new ATOM 267 N GLU A 23 0.996 -10.930 2.026 1.00 0.00 N ATOM 268 CA GLU A 23 1.852 -11.348 0.922 1.00 0.00 C ATOM 269 C GLU A 23 1.118 -12.319 0.003 1.00 0.00 C ATOM 270 O GLU A 23 1.423 -12.417 -1.187 1.00 0.00 O ATOM 271 CB GLU A 23 3.129 -12.000 1.456 1.00 0.00 C ATOM 272 CG GLU A 23 2.870 -13.180 2.378 1.00 0.00 C ATOM 273 CD GLU A 23 2.752 -12.768 3.833 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.794 -12.712 4.520 1.00 0.00 O ATOM 275 OE2 GLU A 23 1.619 -12.502 4.285 1.00 0.00 O ATOM 0 H GLU A 23 1.389 -11.099 2.952 1.00 0.00 H new ATOM 0 HA GLU A 23 2.119 -10.461 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.736 -12.334 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.712 -11.252 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.953 -13.682 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.679 -13.903 2.273 1.00 0.00 H new ATOM 282 N LEU A 24 0.149 -13.036 0.561 1.00 0.00 N ATOM 283 CA LEU A 24 -0.629 -14.001 -0.207 1.00 0.00 C ATOM 284 C LEU A 24 -1.489 -13.298 -1.253 1.00 0.00 C ATOM 285 O LEU A 24 -1.842 -13.884 -2.278 1.00 0.00 O ATOM 286 CB LEU A 24 -1.516 -14.829 0.725 1.00 0.00 C ATOM 287 CG LEU A 24 -0.786 -15.672 1.771 1.00 0.00 C ATOM 288 CD1 LEU A 24 -1.744 -16.103 2.872 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.138 -16.886 1.121 1.00 0.00 C ATOM 0 H LEU A 24 -0.117 -12.967 1.543 1.00 0.00 H new ATOM 0 HA LEU A 24 0.067 -14.664 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.196 -14.153 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.129 -15.493 0.116 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.001 -15.062 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.207 -16.702 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.161 -15.221 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.551 -16.695 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.377 -17.474 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.905 -17.498 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.579 -16.557 0.369 1.00 0.00 H new ATOM 301 N LEU A 25 -1.820 -12.039 -0.990 1.00 0.00 N ATOM 302 CA LEU A 25 -2.636 -11.254 -1.909 1.00 0.00 C ATOM 303 C LEU A 25 -1.807 -10.768 -3.094 1.00 0.00 C ATOM 304 O LEU A 25 -2.339 -10.188 -4.041 1.00 0.00 O ATOM 305 CB LEU A 25 -3.255 -10.060 -1.181 1.00 0.00 C ATOM 306 CG LEU A 25 -4.367 -10.385 -0.183 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.391 -9.362 0.942 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.716 -10.440 -0.885 1.00 0.00 C ATOM 0 H LEU A 25 -1.536 -11.540 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.433 -11.895 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.462 -9.532 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.653 -9.372 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.165 -11.365 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.189 -9.610 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.434 -9.372 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.567 -8.369 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.495 -10.672 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.926 -9.475 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.695 -11.212 -1.654 1.00 0.00 H new ATOM 320 N PHE A 26 -0.502 -11.010 -3.035 1.00 0.00 N ATOM 321 CA PHE A 26 0.401 -10.598 -4.103 1.00 0.00 C ATOM 322 C PHE A 26 1.287 -11.759 -4.545 1.00 0.00 C ATOM 323 O PHE A 26 2.449 -11.853 -4.149 1.00 0.00 O ATOM 324 CB PHE A 26 1.269 -9.426 -3.642 1.00 0.00 C ATOM 325 CG PHE A 26 0.505 -8.370 -2.896 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.352 -8.449 -1.521 1.00 0.00 C ATOM 327 CD2 PHE A 26 -0.062 -7.300 -3.569 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.351 -7.479 -0.831 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.766 -6.327 -2.885 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.911 -6.417 -1.514 1.00 0.00 C ATOM 0 H PHE A 26 -0.046 -11.489 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.203 -10.281 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.067 -9.805 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.745 -8.973 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.787 -9.278 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.047 -7.225 -4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.462 -7.551 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.202 -5.497 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.461 -5.658 -0.977 1.00 0.00 H new ATOM 340 N ASP A 27 0.729 -12.641 -5.367 1.00 0.00 N ATOM 341 CA ASP A 27 1.468 -13.797 -5.864 1.00 0.00 C ATOM 342 C ASP A 27 2.214 -14.493 -4.730 1.00 0.00 C ATOM 343 O ASP A 27 3.240 -15.135 -4.951 1.00 0.00 O ATOM 344 CB ASP A 27 2.453 -13.369 -6.953 1.00 0.00 C ATOM 345 CG ASP A 27 1.754 -12.916 -8.220 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.177 -11.809 -8.216 1.00 0.00 O ATOM 347 OD2 ASP A 27 1.786 -13.669 -9.216 1.00 0.00 O ATOM 0 H ASP A 27 -0.232 -12.578 -5.703 1.00 0.00 H new ATOM 0 HA ASP A 27 0.752 -14.500 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.077 -12.559 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.117 -14.201 -7.186 1.00 0.00 H new ATOM 352 N GLY A 28 1.692 -14.360 -3.514 1.00 0.00 N ATOM 353 CA GLY A 28 2.322 -14.980 -2.364 1.00 0.00 C ATOM 354 C GLY A 28 3.828 -14.803 -2.362 1.00 0.00 C ATOM 355 O GLY A 28 4.572 -15.751 -2.614 1.00 0.00 O ATOM 0 H GLY A 28 0.844 -13.834 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.908 -14.551 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.084 -16.044 -2.353 1.00 0.00 H new ATOM 359 N VAL A 29 4.278 -13.585 -2.079 1.00 0.00 N ATOM 360 CA VAL A 29 5.705 -13.286 -2.046 1.00 0.00 C ATOM 361 C VAL A 29 6.036 -12.309 -0.923 1.00 0.00 C ATOM 362 O VAL A 29 5.261 -11.399 -0.628 1.00 0.00 O ATOM 363 CB VAL A 29 6.186 -12.695 -3.384 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.527 -12.000 -3.210 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.272 -13.781 -4.446 1.00 0.00 C ATOM 0 H VAL A 29 3.675 -12.789 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 29 6.222 -14.229 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 29 5.460 -11.952 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.850 -11.589 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.427 -11.194 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.266 -12.719 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.613 -13.345 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.976 -14.549 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.288 -14.228 -4.590 1.00 0.00 H new ATOM 375 N LYS A 30 7.193 -12.504 -0.299 1.00 0.00 N ATOM 376 CA LYS A 30 7.630 -11.639 0.791 1.00 0.00 C ATOM 377 C LYS A 30 8.044 -10.269 0.266 1.00 0.00 C ATOM 378 O LYS A 30 7.549 -9.240 0.727 1.00 0.00 O ATOM 379 CB LYS A 30 8.796 -12.283 1.543 1.00 0.00 C ATOM 380 CG LYS A 30 9.987 -12.606 0.658 1.00 0.00 C ATOM 381 CD LYS A 30 10.873 -13.671 1.282 1.00 0.00 C ATOM 382 CE LYS A 30 12.156 -13.865 0.487 1.00 0.00 C ATOM 383 NZ LYS A 30 12.948 -15.023 0.985 1.00 0.00 N ATOM 0 H LYS A 30 7.845 -13.254 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 30 6.792 -11.507 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.118 -11.613 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.448 -13.200 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.636 -12.948 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.570 -11.701 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.117 -13.388 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.329 -14.614 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.912 -14.017 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.760 -12.960 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.814 -15.121 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.203 -14.867 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.381 -15.891 0.905 1.00 0.00 H new ATOM 397 N LYS A 31 8.954 -10.262 -0.703 1.00 0.00 N ATOM 398 CA LYS A 31 9.433 -9.018 -1.294 1.00 0.00 C ATOM 399 C LYS A 31 9.011 -8.912 -2.756 1.00 0.00 C ATOM 400 O LYS A 31 9.181 -9.853 -3.531 1.00 0.00 O ATOM 401 CB LYS A 31 10.957 -8.931 -1.184 1.00 0.00 C ATOM 402 CG LYS A 31 11.460 -8.843 0.246 1.00 0.00 C ATOM 403 CD LYS A 31 12.974 -8.719 0.298 1.00 0.00 C ATOM 404 CE LYS A 31 13.422 -7.280 0.095 1.00 0.00 C ATOM 405 NZ LYS A 31 14.821 -7.064 0.557 1.00 0.00 N ATOM 0 H LYS A 31 9.374 -11.104 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 31 8.987 -8.189 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.398 -9.806 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.303 -8.058 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.006 -7.984 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.147 -9.730 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.337 -9.082 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.419 -9.352 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.344 -7.021 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.753 -6.612 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.089 -6.071 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.890 -7.287 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.463 -7.683 0.022 1.00 0.00 H new ATOM 419 N HIS A 32 8.461 -7.759 -3.126 1.00 0.00 N ATOM 420 CA HIS A 32 8.017 -7.530 -4.496 1.00 0.00 C ATOM 421 C HIS A 32 8.687 -6.292 -5.084 1.00 0.00 C ATOM 422 O HIS A 32 8.404 -5.167 -4.672 1.00 0.00 O ATOM 423 CB HIS A 32 6.497 -7.372 -4.542 1.00 0.00 C ATOM 424 CG HIS A 32 5.773 -8.256 -3.574 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.078 -9.383 -3.959 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.641 -8.176 -2.229 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.548 -9.957 -2.894 1.00 0.00 C ATOM 428 NE2 HIS A 32 4.875 -9.244 -1.831 1.00 0.00 N ATOM 0 H HIS A 32 8.313 -6.970 -2.497 1.00 0.00 H new ATOM 0 HA HIS A 32 8.303 -8.395 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.242 -6.333 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.148 -7.590 -5.551 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.060 -7.414 -1.588 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.949 -10.856 -2.892 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.603 -9.453 -0.870 1.00 0.00 H new ATOM 437 N GLN A 33 9.576 -6.508 -6.048 1.00 0.00 N ATOM 438 CA GLN A 33 10.287 -5.409 -6.691 1.00 0.00 C ATOM 439 C GLN A 33 9.378 -4.670 -7.668 1.00 0.00 C ATOM 440 O GLN A 33 9.189 -5.102 -8.805 1.00 0.00 O ATOM 441 CB GLN A 33 11.524 -5.933 -7.424 1.00 0.00 C ATOM 442 CG GLN A 33 11.266 -7.202 -8.221 1.00 0.00 C ATOM 443 CD GLN A 33 12.247 -7.383 -9.362 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.423 -7.033 -9.247 1.00 0.00 O ATOM 445 NE2 GLN A 33 11.769 -7.931 -10.473 1.00 0.00 N ATOM 0 H GLN A 33 9.821 -7.433 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 33 10.601 -4.710 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.892 -5.159 -8.098 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.313 -6.124 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.326 -8.063 -7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.252 -7.177 -8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.788 -8.206 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.383 -8.077 -11.275 1.00 0.00 H new ATOM 454 N VAL A 34 8.817 -3.552 -7.216 1.00 0.00 N ATOM 455 CA VAL A 34 7.928 -2.753 -8.050 1.00 0.00 C ATOM 456 C VAL A 34 8.717 -1.788 -8.928 1.00 0.00 C ATOM 457 O VAL A 34 9.689 -1.180 -8.480 1.00 0.00 O ATOM 458 CB VAL A 34 6.927 -1.951 -7.196 1.00 0.00 C ATOM 459 CG1 VAL A 34 5.863 -1.315 -8.077 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.294 -2.844 -6.140 1.00 0.00 C ATOM 0 H VAL A 34 8.963 -3.180 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 34 7.378 -3.449 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 34 7.467 -1.152 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.165 -0.753 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.337 -0.642 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.323 -2.094 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.590 -2.262 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.767 -3.665 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.071 -3.246 -5.490 1.00 0.00 H new ATOM 470 N ALA A 35 8.293 -1.652 -10.179 1.00 0.00 N ATOM 471 CA ALA A 35 8.959 -0.759 -11.119 1.00 0.00 C ATOM 472 C ALA A 35 7.974 0.237 -11.722 1.00 0.00 C ATOM 473 O ALA A 35 7.382 -0.018 -12.772 1.00 0.00 O ATOM 474 CB ALA A 35 9.640 -1.562 -12.218 1.00 0.00 C ATOM 0 H ALA A 35 7.491 -2.149 -10.566 1.00 0.00 H new ATOM 0 HA ALA A 35 9.716 -0.196 -10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.133 -0.882 -12.913 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.380 -2.229 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.895 -2.151 -12.753 1.00 0.00 H new ATOM 480 N LEU A 36 7.801 1.371 -11.052 1.00 0.00 N ATOM 481 CA LEU A 36 6.887 2.406 -11.522 1.00 0.00 C ATOM 482 C LEU A 36 7.429 3.083 -12.776 1.00 0.00 C ATOM 483 O LEU A 36 8.634 3.278 -12.934 1.00 0.00 O ATOM 484 CB LEU A 36 6.657 3.446 -10.425 1.00 0.00 C ATOM 485 CG LEU A 36 6.437 2.898 -9.014 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.792 3.947 -7.972 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.997 2.436 -8.840 1.00 0.00 C ATOM 0 H LEU A 36 8.282 1.597 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 36 5.937 1.932 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.516 4.117 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.790 4.047 -10.699 1.00 0.00 H new ATOM 0 HG LEU A 36 7.093 2.039 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.629 3.539 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.839 4.229 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.163 4.826 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.858 2.049 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.323 3.277 -9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.777 1.650 -9.563 1.00 0.00 H new ATOM 499 N PRO A 37 6.519 3.453 -13.689 1.00 0.00 N ATOM 500 CA PRO A 37 6.882 4.118 -14.944 1.00 0.00 C ATOM 501 C PRO A 37 7.383 5.541 -14.723 1.00 0.00 C ATOM 502 O PRO A 37 7.475 6.008 -13.589 1.00 0.00 O ATOM 503 CB PRO A 37 5.570 4.129 -15.732 1.00 0.00 C ATOM 504 CG PRO A 37 4.504 4.074 -14.693 1.00 0.00 C ATOM 505 CD PRO A 37 5.065 3.252 -13.567 1.00 0.00 C ATOM 0 HA PRO A 37 7.698 3.606 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.482 5.028 -16.342 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.508 3.277 -16.409 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.240 5.075 -14.352 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.595 3.623 -15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.693 3.589 -12.599 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.795 2.200 -13.664 1.00 0.00 H new ATOM 513 N GLY A 38 7.706 6.227 -15.816 1.00 0.00 N ATOM 514 CA GLY A 38 8.193 7.590 -15.719 1.00 0.00 C ATOM 515 C GLY A 38 7.285 8.581 -16.420 1.00 0.00 C ATOM 516 O GLY A 38 6.926 8.388 -17.582 1.00 0.00 O ATOM 0 H GLY A 38 7.639 5.863 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.285 7.866 -14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.192 7.648 -16.152 1.00 0.00 H new ATOM 520 N GLN A 39 6.913 9.643 -15.714 1.00 0.00 N ATOM 521 CA GLN A 39 6.040 10.667 -16.276 1.00 0.00 C ATOM 522 C GLN A 39 6.434 12.053 -15.776 1.00 0.00 C ATOM 523 O GLN A 39 7.264 12.186 -14.878 1.00 0.00 O ATOM 524 CB GLN A 39 4.582 10.377 -15.915 1.00 0.00 C ATOM 525 CG GLN A 39 4.415 9.651 -14.590 1.00 0.00 C ATOM 526 CD GLN A 39 3.047 9.867 -13.974 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.056 10.045 -14.682 1.00 0.00 O ATOM 528 NE2 GLN A 39 2.986 9.853 -12.648 1.00 0.00 N ATOM 0 H GLN A 39 7.202 9.817 -14.752 1.00 0.00 H new ATOM 0 HA GLN A 39 6.150 10.648 -17.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.032 11.317 -15.876 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.133 9.778 -16.707 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.576 8.584 -14.742 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.181 9.993 -13.894 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.833 9.702 -12.100 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.092 9.993 -12.177 1.00 0.00 H new ATOM 537 N GLU A 40 5.832 13.082 -16.365 1.00 0.00 N ATOM 538 CA GLU A 40 6.122 14.458 -15.980 1.00 0.00 C ATOM 539 C GLU A 40 6.117 14.610 -14.461 1.00 0.00 C ATOM 540 O GLU A 40 6.967 15.297 -13.895 1.00 0.00 O ATOM 541 CB GLU A 40 5.099 15.411 -16.602 1.00 0.00 C ATOM 542 CG GLU A 40 5.659 16.791 -16.905 1.00 0.00 C ATOM 543 CD GLU A 40 4.611 17.882 -16.800 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.786 18.005 -17.729 1.00 0.00 O ATOM 545 OE2 GLU A 40 4.617 18.613 -15.787 1.00 0.00 O ATOM 0 H GLU A 40 5.141 12.989 -17.110 1.00 0.00 H new ATOM 0 HA GLU A 40 7.116 14.711 -16.350 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.719 14.972 -17.524 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.251 15.513 -15.925 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.474 17.008 -16.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.082 16.795 -17.909 1.00 0.00 H new ATOM 552 N GLU A 41 5.155 13.965 -13.811 1.00 0.00 N ATOM 553 CA GLU A 41 5.039 14.030 -12.358 1.00 0.00 C ATOM 554 C GLU A 41 5.571 12.754 -11.713 1.00 0.00 C ATOM 555 O GLU A 41 5.401 11.649 -12.229 1.00 0.00 O ATOM 556 CB GLU A 41 3.581 14.252 -11.950 1.00 0.00 C ATOM 557 CG GLU A 41 3.085 15.665 -12.207 1.00 0.00 C ATOM 558 CD GLU A 41 1.572 15.755 -12.244 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.982 15.409 -13.288 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.979 16.171 -11.227 1.00 0.00 O ATOM 0 H GLU A 41 4.445 13.392 -14.266 1.00 0.00 H new ATOM 0 HA GLU A 41 5.638 14.871 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.949 13.550 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.471 14.025 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.466 16.327 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.490 16.021 -13.154 1.00 0.00 H new ATOM 567 N PRO A 42 6.231 12.908 -10.556 1.00 0.00 N ATOM 568 CA PRO A 42 6.802 11.779 -9.814 1.00 0.00 C ATOM 569 C PRO A 42 5.729 10.890 -9.196 1.00 0.00 C ATOM 570 O PRO A 42 4.581 11.305 -9.038 1.00 0.00 O ATOM 571 CB PRO A 42 7.630 12.457 -8.719 1.00 0.00 C ATOM 572 CG PRO A 42 6.991 13.789 -8.530 1.00 0.00 C ATOM 573 CD PRO A 42 6.472 14.195 -9.882 1.00 0.00 C ATOM 0 HA PRO A 42 7.382 11.119 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.616 11.877 -7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.674 12.557 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.182 13.734 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.710 14.517 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.558 14.784 -9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.196 14.803 -10.424 1.00 0.00 H new ATOM 581 N TRP A 43 6.110 9.666 -8.847 1.00 0.00 N ATOM 582 CA TRP A 43 5.179 8.718 -8.246 1.00 0.00 C ATOM 583 C TRP A 43 5.019 8.985 -6.753 1.00 0.00 C ATOM 584 O TRP A 43 5.996 8.979 -6.004 1.00 0.00 O ATOM 585 CB TRP A 43 5.662 7.285 -8.472 1.00 0.00 C ATOM 586 CG TRP A 43 5.162 6.684 -9.751 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.757 6.757 -10.978 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.964 5.920 -9.928 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.001 6.085 -11.908 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.896 5.562 -11.289 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.943 5.503 -9.070 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.848 4.808 -11.808 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.903 4.755 -9.587 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.862 4.413 -10.946 1.00 0.00 C ATOM 0 H TRP A 43 7.057 9.307 -8.970 1.00 0.00 H new ATOM 0 HA TRP A 43 4.208 8.846 -8.725 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.752 7.273 -8.475 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.339 6.664 -7.636 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.685 7.268 -11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.226 5.991 -12.898 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.966 5.761 -8.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.814 4.544 -12.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.108 4.428 -8.933 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.036 3.826 -11.320 1.00 0.00 H new ATOM 605 N ASP A 44 3.783 9.219 -6.327 1.00 0.00 N ATOM 606 CA ASP A 44 3.495 9.486 -4.923 1.00 0.00 C ATOM 607 C ASP A 44 2.757 8.313 -4.286 1.00 0.00 C ATOM 608 O ASP A 44 2.192 7.471 -4.984 1.00 0.00 O ATOM 609 CB ASP A 44 2.666 10.764 -4.785 1.00 0.00 C ATOM 610 CG ASP A 44 1.661 10.926 -5.908 1.00 0.00 C ATOM 611 OD1 ASP A 44 0.903 9.969 -6.170 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.633 12.011 -6.526 1.00 0.00 O ATOM 0 H ASP A 44 2.964 9.229 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 44 4.443 9.620 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.141 10.751 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.333 11.626 -4.771 1.00 0.00 H new ATOM 617 N ILE A 45 2.765 8.266 -2.959 1.00 0.00 N ATOM 618 CA ILE A 45 2.096 7.196 -2.229 1.00 0.00 C ATOM 619 C ILE A 45 0.680 6.978 -2.749 1.00 0.00 C ATOM 620 O ILE A 45 0.264 5.845 -2.992 1.00 0.00 O ATOM 621 CB ILE A 45 2.036 7.497 -0.719 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.448 7.647 -0.150 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.279 6.397 0.010 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.302 6.410 -0.319 1.00 0.00 C ATOM 0 H ILE A 45 3.227 8.956 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 45 2.682 6.291 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 45 1.504 8.437 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.940 8.488 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.380 7.889 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.245 6.623 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.263 6.334 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.786 5.444 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.289 6.588 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.832 5.571 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.401 6.178 -1.379 1.00 0.00 H new ATOM 636 N ARG A 46 -0.057 8.071 -2.920 1.00 0.00 N ATOM 637 CA ARG A 46 -1.427 8.000 -3.413 1.00 0.00 C ATOM 638 C ARG A 46 -1.547 6.980 -4.541 1.00 0.00 C ATOM 639 O ARG A 46 -2.264 5.988 -4.420 1.00 0.00 O ATOM 640 CB ARG A 46 -1.888 9.374 -3.902 1.00 0.00 C ATOM 641 CG ARG A 46 -3.397 9.502 -4.027 1.00 0.00 C ATOM 642 CD ARG A 46 -3.803 10.894 -4.486 1.00 0.00 C ATOM 643 NE ARG A 46 -5.212 10.957 -4.862 1.00 0.00 N ATOM 644 CZ ARG A 46 -5.883 12.094 -5.010 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.276 13.256 -4.814 1.00 0.00 N ATOM 646 NH2 ARG A 46 -7.164 12.070 -5.355 1.00 0.00 N ATOM 0 H ARG A 46 0.272 9.016 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.066 7.682 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.523 10.136 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.433 9.576 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.768 8.762 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.862 9.285 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.609 11.610 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.188 11.189 -5.336 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.709 10.080 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.291 13.279 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.794 14.127 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.635 11.178 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.678 12.944 -5.468 1.00 0.00 H new ATOM 660 N ASN A 47 -0.839 7.232 -5.637 1.00 0.00 N ATOM 661 CA ASN A 47 -0.867 6.336 -6.788 1.00 0.00 C ATOM 662 C ASN A 47 -0.172 5.017 -6.467 1.00 0.00 C ATOM 663 O ASN A 47 -0.688 3.940 -6.771 1.00 0.00 O ATOM 664 CB ASN A 47 -0.196 6.999 -7.993 1.00 0.00 C ATOM 665 CG ASN A 47 -1.175 7.797 -8.833 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.719 7.296 -9.817 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.403 9.047 -8.447 1.00 0.00 N ATOM 0 H ASN A 47 -0.239 8.049 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.909 6.128 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.601 7.657 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.270 6.233 -8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.051 9.633 -8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.930 9.421 -7.625 1.00 0.00 H new ATOM 674 N LEU A 48 1.001 5.107 -5.850 1.00 0.00 N ATOM 675 CA LEU A 48 1.768 3.920 -5.486 1.00 0.00 C ATOM 676 C LEU A 48 0.842 2.775 -5.090 1.00 0.00 C ATOM 677 O LEU A 48 1.078 1.620 -5.448 1.00 0.00 O ATOM 678 CB LEU A 48 2.724 4.240 -4.336 1.00 0.00 C ATOM 679 CG LEU A 48 3.416 3.041 -3.686 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.403 2.406 -4.653 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.119 3.462 -2.404 1.00 0.00 C ATOM 0 H LEU A 48 1.442 5.990 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 48 2.347 3.610 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.491 4.920 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.168 4.775 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 48 2.657 2.300 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.886 1.555 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.873 2.068 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.158 3.139 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.606 2.596 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.867 4.221 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.388 3.870 -1.706 1.00 0.00 H new ATOM 693 N LEU A 49 -0.213 3.101 -4.352 1.00 0.00 N ATOM 694 CA LEU A 49 -1.176 2.100 -3.908 1.00 0.00 C ATOM 695 C LEU A 49 -1.923 1.500 -5.095 1.00 0.00 C ATOM 696 O LEU A 49 -1.984 0.281 -5.252 1.00 0.00 O ATOM 697 CB LEU A 49 -2.171 2.720 -2.925 1.00 0.00 C ATOM 698 CG LEU A 49 -1.788 2.647 -1.447 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.263 1.262 -1.099 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.753 3.711 -1.111 1.00 0.00 C ATOM 0 H LEU A 49 -0.423 4.052 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.628 1.303 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.310 3.767 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.134 2.227 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.681 2.835 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.995 1.229 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.035 0.519 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.382 1.044 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.492 3.644 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.140 3.554 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.165 4.698 -1.321 1.00 0.00 H new ATOM 712 N VAL A 50 -2.490 2.366 -5.930 1.00 0.00 N ATOM 713 CA VAL A 50 -3.230 1.922 -7.105 1.00 0.00 C ATOM 714 C VAL A 50 -2.480 0.819 -7.843 1.00 0.00 C ATOM 715 O VAL A 50 -3.053 -0.218 -8.177 1.00 0.00 O ATOM 716 CB VAL A 50 -3.492 3.089 -8.077 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.216 2.596 -9.320 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.286 4.188 -7.387 1.00 0.00 C ATOM 0 H VAL A 50 -2.451 3.379 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.184 1.533 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.533 3.505 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.392 3.434 -9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.605 1.847 -9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.170 2.153 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.462 5.004 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.242 3.788 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.724 4.560 -6.530 1.00 0.00 H new ATOM 728 N TRP A 51 -1.197 1.049 -8.093 1.00 0.00 N ATOM 729 CA TRP A 51 -0.367 0.074 -8.792 1.00 0.00 C ATOM 730 C TRP A 51 -0.346 -1.256 -8.046 1.00 0.00 C ATOM 731 O TRP A 51 -0.472 -2.320 -8.652 1.00 0.00 O ATOM 732 CB TRP A 51 1.057 0.606 -8.952 1.00 0.00 C ATOM 733 CG TRP A 51 1.904 -0.227 -9.865 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.233 0.052 -11.161 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.528 -1.477 -9.552 1.00 0.00 C ATOM 736 NE1 TRP A 51 3.023 -0.949 -11.672 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.220 -1.898 -10.705 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.572 -2.281 -8.410 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.944 -3.087 -10.746 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.290 -3.461 -8.452 1.00 0.00 C ATOM 741 CH2 TRP A 51 3.969 -3.854 -9.613 1.00 0.00 C ATOM 0 H TRP A 51 -0.708 1.902 -7.822 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.797 -0.091 -9.780 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.015 1.625 -9.336 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.531 0.654 -7.972 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.918 0.931 -11.704 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.402 -0.980 -12.619 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.054 -1.985 -7.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.467 -3.393 -11.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.328 -4.091 -7.575 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.523 -4.781 -9.614 1.00 0.00 H new ATOM 752 N ILE A 52 -0.186 -1.188 -6.729 1.00 0.00 N ATOM 753 CA ILE A 52 -0.150 -2.387 -5.901 1.00 0.00 C ATOM 754 C ILE A 52 -1.513 -3.068 -5.859 1.00 0.00 C ATOM 755 O ILE A 52 -1.606 -4.293 -5.783 1.00 0.00 O ATOM 756 CB ILE A 52 0.295 -2.065 -4.462 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.690 -1.435 -4.465 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.278 -3.324 -3.608 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.091 -0.850 -3.130 1.00 0.00 C ATOM 0 H ILE A 52 -0.079 -0.315 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 52 0.576 -3.061 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.405 -1.349 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.420 -2.190 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.724 -0.651 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.595 -3.080 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.732 -3.734 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.959 -4.061 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.090 -0.421 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.383 -0.072 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.090 -1.635 -2.374 1.00 0.00 H new ATOM 771 N LYS A 53 -2.571 -2.265 -5.911 1.00 0.00 N ATOM 772 CA LYS A 53 -3.932 -2.788 -5.882 1.00 0.00 C ATOM 773 C LYS A 53 -4.431 -3.084 -7.293 1.00 0.00 C ATOM 774 O LYS A 53 -5.441 -3.764 -7.475 1.00 0.00 O ATOM 775 CB LYS A 53 -4.869 -1.791 -5.197 1.00 0.00 C ATOM 776 CG LYS A 53 -4.397 -1.362 -3.818 1.00 0.00 C ATOM 777 CD LYS A 53 -5.071 -0.074 -3.375 1.00 0.00 C ATOM 778 CE LYS A 53 -6.582 -0.153 -3.531 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.008 0.093 -4.936 1.00 0.00 N ATOM 0 H LYS A 53 -2.512 -1.249 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.925 -3.719 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.971 -0.908 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.860 -2.237 -5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.610 -2.152 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.316 -1.223 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.822 0.129 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.687 0.760 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.929 -1.136 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.054 0.579 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.850 0.703 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.238 0.561 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.234 -0.813 -5.394 1.00 0.00 H new ATOM 793 N LYS A 54 -3.716 -2.571 -8.288 1.00 0.00 N ATOM 794 CA LYS A 54 -4.084 -2.782 -9.683 1.00 0.00 C ATOM 795 C LYS A 54 -3.471 -4.072 -10.218 1.00 0.00 C ATOM 796 O LYS A 54 -4.185 -4.979 -10.644 1.00 0.00 O ATOM 797 CB LYS A 54 -3.628 -1.596 -10.537 1.00 0.00 C ATOM 798 CG LYS A 54 -4.594 -0.425 -10.515 1.00 0.00 C ATOM 799 CD LYS A 54 -5.770 -0.654 -11.450 1.00 0.00 C ATOM 800 CE LYS A 54 -6.922 -1.346 -10.737 1.00 0.00 C ATOM 801 NZ LYS A 54 -8.239 -0.988 -11.333 1.00 0.00 N ATOM 0 H LYS A 54 -2.878 -2.006 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.169 -2.866 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.653 -1.259 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.497 -1.929 -11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.960 -0.273 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.070 0.486 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.110 0.301 -11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.450 -1.259 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.783 -2.426 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.914 -1.071 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.998 -1.480 -10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.384 0.040 -11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.257 -1.273 -12.333 1.00 0.00 H new ATOM 815 N ASN A 55 -2.144 -4.148 -10.191 1.00 0.00 N ATOM 816 CA ASN A 55 -1.436 -5.328 -10.673 1.00 0.00 C ATOM 817 C ASN A 55 -1.026 -6.228 -9.511 1.00 0.00 C ATOM 818 O ASN A 55 -1.575 -7.316 -9.331 1.00 0.00 O ATOM 819 CB ASN A 55 -0.199 -4.915 -11.473 1.00 0.00 C ATOM 820 CG ASN A 55 0.458 -3.666 -10.918 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.414 -3.745 -10.146 1.00 0.00 O ATOM 822 ND2 ASN A 55 -0.053 -2.505 -11.310 1.00 0.00 N ATOM 0 H ASN A 55 -1.538 -3.406 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.111 -5.886 -11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.522 -5.733 -11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.482 -4.743 -12.511 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.347 -1.631 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.846 -2.487 -11.951 1.00 0.00 H new ATOM 829 N LEU A 56 -0.059 -5.767 -8.725 1.00 0.00 N ATOM 830 CA LEU A 56 0.425 -6.530 -7.580 1.00 0.00 C ATOM 831 C LEU A 56 -0.720 -7.269 -6.895 1.00 0.00 C ATOM 832 O LEU A 56 -0.549 -8.389 -6.411 1.00 0.00 O ATOM 833 CB LEU A 56 1.118 -5.602 -6.580 1.00 0.00 C ATOM 834 CG LEU A 56 2.257 -6.220 -5.769 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.457 -6.500 -6.661 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.648 -5.306 -4.617 1.00 0.00 C ATOM 0 H LEU A 56 0.405 -4.869 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 56 1.143 -7.266 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.511 -4.743 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.368 -5.224 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 56 1.910 -7.166 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.258 -6.940 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.169 -7.193 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.805 -5.568 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.460 -5.762 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.976 -4.344 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.789 -5.157 -3.963 1.00 0.00 H new ATOM 848 N LEU A 57 -1.888 -6.637 -6.859 1.00 0.00 N ATOM 849 CA LEU A 57 -3.063 -7.236 -6.235 1.00 0.00 C ATOM 850 C LEU A 57 -3.974 -7.866 -7.284 1.00 0.00 C ATOM 851 O LEU A 57 -4.391 -7.208 -8.237 1.00 0.00 O ATOM 852 CB LEU A 57 -3.835 -6.182 -5.440 1.00 0.00 C ATOM 853 CG LEU A 57 -4.943 -6.709 -4.527 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.370 -7.657 -3.485 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.675 -5.555 -3.856 1.00 0.00 C ATOM 0 H LEU A 57 -2.047 -5.710 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.725 -8.019 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.125 -5.623 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.276 -5.476 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.658 -7.261 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.173 -8.022 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.892 -8.500 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.634 -7.129 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.460 -5.948 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.971 -4.975 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.119 -4.914 -4.618 1.00 0.00 H new ATOM 867 N LYS A 58 -4.282 -9.146 -7.101 1.00 0.00 N ATOM 868 CA LYS A 58 -5.146 -9.866 -8.028 1.00 0.00 C ATOM 869 C LYS A 58 -6.462 -10.249 -7.358 1.00 0.00 C ATOM 870 O LYS A 58 -7.482 -10.418 -8.026 1.00 0.00 O ATOM 871 CB LYS A 58 -4.441 -11.121 -8.545 1.00 0.00 C ATOM 872 CG LYS A 58 -3.173 -10.827 -9.329 1.00 0.00 C ATOM 873 CD LYS A 58 -3.456 -10.690 -10.816 1.00 0.00 C ATOM 874 CE LYS A 58 -3.713 -9.242 -11.203 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.461 -8.544 -11.606 1.00 0.00 N ATOM 0 H LYS A 58 -3.945 -9.706 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.364 -9.207 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.195 -11.764 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.129 -11.679 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.719 -9.908 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.450 -11.627 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.610 -11.075 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.322 -11.298 -11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.428 -9.207 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.167 -8.717 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.688 -7.785 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.005 -8.136 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.814 -9.223 -12.055 1.00 0.00 H new ATOM 889 N GLU A 59 -6.431 -10.384 -6.036 1.00 0.00 N ATOM 890 CA GLU A 59 -7.623 -10.746 -5.278 1.00 0.00 C ATOM 891 C GLU A 59 -8.500 -9.523 -5.024 1.00 0.00 C ATOM 892 O GLU A 59 -8.196 -8.423 -5.485 1.00 0.00 O ATOM 893 CB GLU A 59 -7.230 -11.391 -3.947 1.00 0.00 C ATOM 894 CG GLU A 59 -6.872 -12.863 -4.065 1.00 0.00 C ATOM 895 CD GLU A 59 -7.904 -13.654 -4.845 1.00 0.00 C ATOM 896 OE1 GLU A 59 -7.784 -13.727 -6.085 1.00 0.00 O ATOM 897 OE2 GLU A 59 -8.833 -14.200 -4.213 1.00 0.00 O ATOM 0 H GLU A 59 -5.595 -10.248 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.194 -11.463 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.380 -10.852 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.055 -11.282 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.902 -12.959 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.771 -13.290 -3.067 1.00 0.00 H new ATOM 904 N ARG A 60 -9.588 -9.725 -4.289 1.00 0.00 N ATOM 905 CA ARG A 60 -10.510 -8.640 -3.975 1.00 0.00 C ATOM 906 C ARG A 60 -9.778 -7.479 -3.310 1.00 0.00 C ATOM 907 O ARG A 60 -9.270 -7.592 -2.194 1.00 0.00 O ATOM 908 CB ARG A 60 -11.630 -9.142 -3.061 1.00 0.00 C ATOM 909 CG ARG A 60 -12.796 -9.764 -3.812 1.00 0.00 C ATOM 910 CD ARG A 60 -13.592 -8.716 -4.572 1.00 0.00 C ATOM 911 NE ARG A 60 -13.086 -8.519 -5.927 1.00 0.00 N ATOM 912 CZ ARG A 60 -13.333 -9.353 -6.932 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.076 -10.433 -6.734 1.00 0.00 N ATOM 914 NH2 ARG A 60 -12.836 -9.106 -8.137 1.00 0.00 N ATOM 0 H ARG A 60 -9.853 -10.630 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.945 -8.285 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.220 -9.878 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.998 -8.310 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.423 -10.515 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.450 -10.279 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.638 -9.018 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.556 -7.771 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.512 -7.697 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.460 -10.625 -5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.264 -11.071 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.264 -8.276 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.026 -9.746 -8.908 1.00 0.00 H new ATOM 928 N PRO A 61 -9.720 -6.336 -4.009 1.00 0.00 N ATOM 929 CA PRO A 61 -9.052 -5.133 -3.506 1.00 0.00 C ATOM 930 C PRO A 61 -9.803 -4.497 -2.341 1.00 0.00 C ATOM 931 O PRO A 61 -9.241 -3.702 -1.589 1.00 0.00 O ATOM 932 CB PRO A 61 -9.050 -4.196 -4.716 1.00 0.00 C ATOM 933 CG PRO A 61 -10.204 -4.644 -5.544 1.00 0.00 C ATOM 934 CD PRO A 61 -10.304 -6.131 -5.345 1.00 0.00 C ATOM 0 HA PRO A 61 -8.057 -5.352 -3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.162 -3.156 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.114 -4.267 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.123 -4.146 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.048 -4.401 -6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.338 -6.474 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.755 -6.677 -6.112 1.00 0.00 H new ATOM 942 N GLU A 62 -11.076 -4.853 -2.199 1.00 0.00 N ATOM 943 CA GLU A 62 -11.904 -4.315 -1.125 1.00 0.00 C ATOM 944 C GLU A 62 -11.649 -5.060 0.182 1.00 0.00 C ATOM 945 O GLU A 62 -12.423 -4.948 1.134 1.00 0.00 O ATOM 946 CB GLU A 62 -13.385 -4.408 -1.498 1.00 0.00 C ATOM 947 CG GLU A 62 -13.813 -5.794 -1.952 1.00 0.00 C ATOM 948 CD GLU A 62 -15.319 -5.932 -2.065 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.866 -5.597 -3.137 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.950 -6.373 -1.082 1.00 0.00 O ATOM 0 H GLU A 62 -11.556 -5.511 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.638 -3.267 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.987 -4.115 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.596 -3.693 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.358 -6.012 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.436 -6.535 -1.248 1.00 0.00 H new ATOM 957 N LEU A 63 -10.560 -5.819 0.221 1.00 0.00 N ATOM 958 CA LEU A 63 -10.202 -6.584 1.411 1.00 0.00 C ATOM 959 C LEU A 63 -8.875 -6.103 1.988 1.00 0.00 C ATOM 960 O LEU A 63 -8.598 -6.286 3.174 1.00 0.00 O ATOM 961 CB LEU A 63 -10.117 -8.074 1.078 1.00 0.00 C ATOM 962 CG LEU A 63 -11.410 -8.873 1.239 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.581 -8.124 0.622 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.267 -10.252 0.611 1.00 0.00 C ATOM 0 H LEU A 63 -9.909 -5.922 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.980 -6.430 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.776 -8.177 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.354 -8.525 1.713 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.606 -8.999 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.493 -8.708 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.698 -7.160 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.393 -7.966 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.197 -10.807 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.046 -10.147 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.455 -10.791 1.099 1.00 0.00 H new ATOM 976 N PHE A 64 -8.057 -5.484 1.143 1.00 0.00 N ATOM 977 CA PHE A 64 -6.759 -4.975 1.569 1.00 0.00 C ATOM 978 C PHE A 64 -6.799 -3.460 1.743 1.00 0.00 C ATOM 979 O PHE A 64 -6.635 -2.948 2.851 1.00 0.00 O ATOM 980 CB PHE A 64 -5.680 -5.354 0.552 1.00 0.00 C ATOM 981 CG PHE A 64 -4.282 -5.103 1.039 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.816 -5.716 2.191 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.434 -4.255 0.345 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.530 -5.486 2.643 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.146 -4.022 0.792 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.694 -4.639 1.941 1.00 0.00 C ATOM 0 H PHE A 64 -8.270 -5.323 0.159 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.518 -5.427 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.784 -6.409 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.843 -4.789 -0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.465 -6.381 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.783 -3.771 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.179 -5.968 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.495 -3.358 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.688 -4.460 2.291 1.00 0.00 H new ATOM 996 N ILE A 65 -7.018 -2.749 0.643 1.00 0.00 N ATOM 997 CA ILE A 65 -7.081 -1.293 0.674 1.00 0.00 C ATOM 998 C ILE A 65 -8.319 -0.781 -0.053 1.00 0.00 C ATOM 999 O ILE A 65 -8.822 -1.425 -0.973 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.828 -0.662 0.038 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.579 -1.039 0.837 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -5.978 0.850 -0.040 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.286 -0.774 0.098 1.00 0.00 C ATOM 0 H ILE A 65 -7.155 -3.157 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.132 -1.001 1.723 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.718 -1.049 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.574 -0.480 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.629 -2.096 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.085 1.281 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.848 1.098 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.109 1.255 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.443 -1.065 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.269 -1.353 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.213 0.288 -0.139 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.805 0.384 0.365 1.00 0.00 N ATOM 1016 CA GLN A 66 -9.984 0.984 -0.247 1.00 0.00 C ATOM 1017 C GLN A 66 -9.647 2.335 -0.868 1.00 0.00 C ATOM 1018 O GLN A 66 -9.319 3.289 -0.163 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.096 1.149 0.790 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.491 1.182 0.188 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.539 1.667 1.169 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.274 1.799 2.364 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.740 1.935 0.669 1.00 0.00 N ATOM 0 H GLN A 66 -8.400 0.931 1.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.330 0.318 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.038 0.329 1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.928 2.071 1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.490 1.832 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.757 0.183 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.916 1.812 -0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.486 2.264 1.282 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.731 2.410 -2.193 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.432 3.650 -2.886 1.00 0.00 C ATOM 1034 C GLY A 67 -7.943 3.862 -3.078 1.00 0.00 C ATOM 1035 O GLY A 67 -7.212 2.924 -3.396 1.00 0.00 O ATOM 0 H GLY A 67 -10.001 1.635 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.924 3.647 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.845 4.486 -2.322 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.493 5.097 -2.885 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.082 5.429 -3.039 1.00 0.00 C ATOM 1041 C ASP A 68 -5.345 5.300 -1.710 1.00 0.00 C ATOM 1042 O ASP A 68 -4.163 4.959 -1.675 1.00 0.00 O ATOM 1043 CB ASP A 68 -5.927 6.849 -3.587 1.00 0.00 C ATOM 1044 CG ASP A 68 -6.165 6.922 -5.082 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.188 6.378 -5.547 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.327 7.523 -5.788 1.00 0.00 O ATOM 0 H ASP A 68 -8.085 5.885 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.644 4.725 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.628 7.510 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.925 7.214 -3.363 1.00 0.00 H new ATOM 1051 N SER A 69 -6.051 5.575 -0.618 1.00 0.00 N ATOM 1052 CA SER A 69 -5.463 5.495 0.713 1.00 0.00 C ATOM 1053 C SER A 69 -5.613 4.090 1.289 1.00 0.00 C ATOM 1054 O SER A 69 -6.587 3.392 1.009 1.00 0.00 O ATOM 1055 CB SER A 69 -6.120 6.513 1.647 1.00 0.00 C ATOM 1056 OG SER A 69 -7.531 6.482 1.523 1.00 0.00 O ATOM 0 H SER A 69 -7.032 5.855 -0.629 1.00 0.00 H new ATOM 0 HA SER A 69 -4.401 5.724 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.838 6.300 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.753 7.513 1.416 1.00 0.00 H new ATOM 0 HG SER A 69 -7.927 7.140 2.131 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.639 3.681 2.097 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.662 2.360 2.714 1.00 0.00 C ATOM 1064 C VAL A 70 -5.731 2.279 3.799 1.00 0.00 C ATOM 1065 O VAL A 70 -5.861 3.182 4.625 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.295 2.004 3.328 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.250 1.826 2.238 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -2.864 3.072 4.323 1.00 0.00 C ATOM 0 H VAL A 70 -3.825 4.246 2.339 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.895 1.645 1.925 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.391 1.059 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.291 1.575 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.556 1.023 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.153 2.753 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.896 2.805 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.784 4.033 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.603 3.145 5.121 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.493 1.190 3.790 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.551 0.991 4.772 1.00 0.00 C ATOM 1080 C ARG A 71 -7.098 1.439 6.159 1.00 0.00 C ATOM 1081 O ARG A 71 -5.906 1.583 6.433 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.969 -0.480 4.812 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.100 -0.818 3.854 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.578 -2.250 4.039 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.897 -2.467 3.452 1.00 0.00 N ATOM 1086 CZ ARG A 71 -12.009 -1.904 3.913 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.960 -1.094 4.962 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -13.172 -2.150 3.325 1.00 0.00 N ATOM 0 H ARG A 71 -6.397 0.433 3.114 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.406 1.597 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.105 -1.101 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.275 -0.734 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.932 -0.132 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.763 -0.675 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.861 -2.933 3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.611 -2.486 5.103 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.969 -3.085 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.067 -0.902 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.815 -0.663 5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.214 -2.772 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.025 -1.717 3.680 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.070 1.666 7.055 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.795 2.101 8.428 1.00 0.00 C ATOM 1104 C PRO A 72 -7.144 1.004 9.264 1.00 0.00 C ATOM 1105 O PRO A 72 -6.900 1.183 10.456 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.183 2.440 8.977 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.122 1.615 8.168 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.511 1.514 6.797 1.00 0.00 C ATOM 0 HA PRO A 72 -7.094 2.935 8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.259 2.200 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.401 3.503 8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.254 0.627 8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.108 2.078 8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.736 0.557 6.326 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.885 2.293 6.132 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.866 -0.131 8.630 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.246 -1.240 9.332 1.00 0.00 C ATOM 1118 C GLY A 73 -4.828 -1.501 8.866 1.00 0.00 C ATOM 1119 O GLY A 73 -3.958 -1.844 9.666 1.00 0.00 O ATOM 0 H GLY A 73 -7.059 -0.302 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.241 -1.031 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.845 -2.139 9.185 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.595 -1.340 7.568 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.272 -1.562 6.996 1.00 0.00 C ATOM 1125 C ILE A 74 -2.279 -0.514 7.488 1.00 0.00 C ATOM 1126 O ILE A 74 -2.519 0.688 7.372 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.312 -1.533 5.457 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.500 -2.347 4.940 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.007 -2.066 4.883 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.504 -3.781 5.422 1.00 0.00 C ATOM 0 H ILE A 74 -5.305 -1.057 6.892 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.947 -2.550 7.324 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.435 -0.500 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.425 -1.864 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.490 -2.338 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.051 -2.039 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.178 -1.448 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.856 -3.093 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.374 -4.299 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.595 -4.280 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.546 -3.799 6.511 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.161 -0.979 8.036 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.128 -0.082 8.544 1.00 0.00 C ATOM 1144 C LEU A 75 1.089 -0.078 7.625 1.00 0.00 C ATOM 1145 O LEU A 75 1.823 -1.063 7.545 1.00 0.00 O ATOM 1146 CB LEU A 75 0.286 -0.498 9.956 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.738 -0.232 11.061 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.596 -1.255 12.177 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.579 1.180 11.606 1.00 0.00 C ATOM 0 H LEU A 75 -0.947 -1.971 8.140 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.540 0.927 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.513 -1.564 9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.209 0.022 10.211 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.737 -0.325 10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.332 -1.050 12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.760 -2.255 11.777 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.406 -1.194 12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.315 1.352 12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.424 1.301 12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.731 1.900 10.802 1.00 0.00 H new ATOM 1161 N VAL A 76 1.299 1.038 6.934 1.00 0.00 N ATOM 1162 CA VAL A 76 2.430 1.172 6.023 1.00 0.00 C ATOM 1163 C VAL A 76 3.602 1.871 6.702 1.00 0.00 C ATOM 1164 O VAL A 76 3.421 2.620 7.663 1.00 0.00 O ATOM 1165 CB VAL A 76 2.041 1.957 4.757 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.780 1.377 4.135 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.855 3.432 5.081 1.00 0.00 C ATOM 0 H VAL A 76 0.701 1.862 6.988 1.00 0.00 H new ATOM 0 HA VAL A 76 2.728 0.163 5.738 1.00 0.00 H new ATOM 0 HB VAL A 76 2.850 1.866 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.521 1.945 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.953 0.335 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.039 1.435 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.580 3.972 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.065 3.545 5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.786 3.838 5.477 1.00 0.00 H new ATOM 1177 N LEU A 77 4.805 1.624 6.196 1.00 0.00 N ATOM 1178 CA LEU A 77 6.009 2.231 6.752 1.00 0.00 C ATOM 1179 C LEU A 77 7.032 2.515 5.657 1.00 0.00 C ATOM 1180 O LEU A 77 7.486 1.602 4.967 1.00 0.00 O ATOM 1181 CB LEU A 77 6.622 1.315 7.813 1.00 0.00 C ATOM 1182 CG LEU A 77 6.133 1.527 9.246 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.253 0.239 10.047 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.914 2.648 9.916 1.00 0.00 C ATOM 0 H LEU A 77 4.973 1.007 5.401 1.00 0.00 H new ATOM 0 HA LEU A 77 5.728 3.177 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.422 0.281 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.704 1.446 7.796 1.00 0.00 H new ATOM 0 HG LEU A 77 5.082 1.813 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.900 0.409 11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.649 -0.538 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.296 -0.078 10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.552 2.785 10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.973 2.391 9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.777 3.573 9.355 1.00 0.00 H new ATOM 1196 N ILE A 78 7.392 3.785 5.505 1.00 0.00 N ATOM 1197 CA ILE A 78 8.364 4.188 4.497 1.00 0.00 C ATOM 1198 C ILE A 78 9.767 4.268 5.087 1.00 0.00 C ATOM 1199 O ILE A 78 10.034 5.077 5.974 1.00 0.00 O ATOM 1200 CB ILE A 78 8.001 5.551 3.878 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.600 5.501 3.265 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.030 5.949 2.831 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.891 6.837 3.266 1.00 0.00 C ATOM 0 H ILE A 78 7.025 4.553 6.067 1.00 0.00 H new ATOM 0 HA ILE A 78 8.343 3.427 3.717 1.00 0.00 H new ATOM 0 HB ILE A 78 8.005 6.304 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.674 5.139 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.997 4.779 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.759 6.914 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.013 6.021 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.056 5.197 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.904 6.726 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.785 7.192 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.472 7.558 2.691 1.00 0.00 H new ATOM 1215 N ASN A 79 10.663 3.423 4.586 1.00 0.00 N ATOM 1216 CA ASN A 79 12.041 3.398 5.062 1.00 0.00 C ATOM 1217 C ASN A 79 12.088 3.308 6.584 1.00 0.00 C ATOM 1218 O ASN A 79 12.864 4.009 7.234 1.00 0.00 O ATOM 1219 CB ASN A 79 12.788 4.647 4.590 1.00 0.00 C ATOM 1220 CG ASN A 79 12.604 4.905 3.107 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.740 3.997 2.287 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.294 6.148 2.757 1.00 0.00 N ATOM 0 H ASN A 79 10.459 2.747 3.850 1.00 0.00 H new ATOM 0 HA ASN A 79 12.527 2.514 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.436 5.512 5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.850 4.536 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.158 6.382 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.191 6.869 3.472 1.00 0.00 H new ATOM 1229 N ASP A 80 11.255 2.439 7.146 1.00 0.00 N ATOM 1230 CA ASP A 80 11.202 2.256 8.592 1.00 0.00 C ATOM 1231 C ASP A 80 10.806 3.552 9.291 1.00 0.00 C ATOM 1232 O ASP A 80 11.466 3.988 10.234 1.00 0.00 O ATOM 1233 CB ASP A 80 12.556 1.773 9.116 1.00 0.00 C ATOM 1234 CG ASP A 80 13.195 0.744 8.204 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.715 -0.408 8.182 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.177 1.090 7.514 1.00 0.00 O ATOM 0 H ASP A 80 10.607 1.850 6.622 1.00 0.00 H new ATOM 0 HA ASP A 80 10.446 1.502 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.226 2.626 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.426 1.343 10.109 1.00 0.00 H new ATOM 1241 N ALA A 81 9.724 4.165 8.821 1.00 0.00 N ATOM 1242 CA ALA A 81 9.240 5.412 9.401 1.00 0.00 C ATOM 1243 C ALA A 81 7.778 5.654 9.039 1.00 0.00 C ATOM 1244 O ALA A 81 7.427 5.746 7.863 1.00 0.00 O ATOM 1245 CB ALA A 81 10.100 6.578 8.939 1.00 0.00 C ATOM 0 H ALA A 81 9.166 3.818 8.040 1.00 0.00 H new ATOM 0 HA ALA A 81 9.310 5.331 10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.727 7.502 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.131 6.416 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.059 6.652 7.852 1.00 0.00 H new ATOM 1251 N ASP A 82 6.931 5.755 10.057 1.00 0.00 N ATOM 1252 CA ASP A 82 5.507 5.986 9.846 1.00 0.00 C ATOM 1253 C ASP A 82 5.280 6.985 8.716 1.00 0.00 C ATOM 1254 O ASP A 82 5.781 8.109 8.758 1.00 0.00 O ATOM 1255 CB ASP A 82 4.855 6.496 11.132 1.00 0.00 C ATOM 1256 CG ASP A 82 3.399 6.088 11.245 1.00 0.00 C ATOM 1257 OD1 ASP A 82 3.112 4.877 11.140 1.00 0.00 O ATOM 1258 OD2 ASP A 82 2.547 6.980 11.439 1.00 0.00 O ATOM 0 H ASP A 82 7.206 5.681 11.036 1.00 0.00 H new ATOM 0 HA ASP A 82 5.048 5.038 9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.405 6.112 11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.928 7.583 11.167 1.00 0.00 H new ATOM 1263 N TRP A 83 4.524 6.568 7.707 1.00 0.00 N ATOM 1264 CA TRP A 83 4.232 7.426 6.564 1.00 0.00 C ATOM 1265 C TRP A 83 3.350 8.600 6.976 1.00 0.00 C ATOM 1266 O TRP A 83 3.317 9.629 6.302 1.00 0.00 O ATOM 1267 CB TRP A 83 3.549 6.622 5.457 1.00 0.00 C ATOM 1268 CG TRP A 83 2.138 6.237 5.787 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.662 5.833 7.001 1.00 0.00 C ATOM 1270 CD2 TRP A 83 1.023 6.219 4.890 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.317 5.564 6.913 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.099 5.794 5.628 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.862 6.522 3.535 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.361 5.664 5.055 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.391 6.392 2.968 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.490 5.967 3.727 1.00 0.00 C ATOM 0 H TRP A 83 4.102 5.641 7.657 1.00 0.00 H new ATOM 0 HA TRP A 83 5.176 7.820 6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.553 7.207 4.537 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.128 5.719 5.263 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.255 5.739 7.899 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.275 5.245 7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.702 6.852 2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.209 5.335 5.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.526 6.622 1.921 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.457 5.877 3.255 1.00 0.00 H new ATOM 1287 N GLU A 84 2.637 8.437 8.086 1.00 0.00 N ATOM 1288 CA GLU A 84 1.754 9.485 8.586 1.00 0.00 C ATOM 1289 C GLU A 84 2.557 10.693 9.061 1.00 0.00 C ATOM 1290 O GLU A 84 2.119 11.836 8.924 1.00 0.00 O ATOM 1291 CB GLU A 84 0.890 8.951 9.730 1.00 0.00 C ATOM 1292 CG GLU A 84 0.158 7.663 9.391 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.727 7.179 10.523 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -0.202 6.970 11.637 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.943 7.010 10.296 1.00 0.00 O ATOM 0 H GLU A 84 2.653 7.591 8.655 1.00 0.00 H new ATOM 0 HA GLU A 84 1.107 9.800 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.521 8.781 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.160 9.711 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.451 7.819 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.886 6.889 9.148 1.00 0.00 H new ATOM 1302 N LEU A 85 3.733 10.431 9.620 1.00 0.00 N ATOM 1303 CA LEU A 85 4.598 11.495 10.117 1.00 0.00 C ATOM 1304 C LEU A 85 5.128 12.347 8.967 1.00 0.00 C ATOM 1305 O LEU A 85 5.231 13.569 9.082 1.00 0.00 O ATOM 1306 CB LEU A 85 5.765 10.903 10.909 1.00 0.00 C ATOM 1307 CG LEU A 85 5.531 10.713 12.408 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.288 9.870 12.651 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.748 10.073 13.060 1.00 0.00 C ATOM 0 H LEU A 85 4.110 9.491 9.741 1.00 0.00 H new ATOM 0 HA LEU A 85 4.008 12.132 10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.018 9.935 10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.633 11.549 10.776 1.00 0.00 H new ATOM 0 HG LEU A 85 5.375 11.693 12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.137 9.745 13.723 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.420 10.368 12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.415 8.892 12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.564 9.945 14.127 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.935 9.100 12.605 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.617 10.714 12.916 1.00 0.00 H new ATOM 1321 N LEU A 86 5.461 11.694 7.859 1.00 0.00 N ATOM 1322 CA LEU A 86 5.978 12.391 6.687 1.00 0.00 C ATOM 1323 C LEU A 86 4.839 12.909 5.815 1.00 0.00 C ATOM 1324 O LEU A 86 4.644 14.117 5.683 1.00 0.00 O ATOM 1325 CB LEU A 86 6.877 11.460 5.871 1.00 0.00 C ATOM 1326 CG LEU A 86 7.809 10.552 6.675 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.139 9.294 5.887 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.081 11.296 7.054 1.00 0.00 C ATOM 0 H LEU A 86 5.382 10.683 7.748 1.00 0.00 H new ATOM 0 HA LEU A 86 6.564 13.243 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.243 10.833 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.484 12.069 5.201 1.00 0.00 H new ATOM 0 HG LEU A 86 7.297 10.258 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.803 8.660 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.220 8.751 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.631 9.568 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.733 10.635 7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.596 11.620 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.827 12.167 7.659 1.00 0.00 H new ATOM 1340 N GLY A 87 4.088 11.986 5.221 1.00 0.00 N ATOM 1341 CA GLY A 87 2.976 12.370 4.371 1.00 0.00 C ATOM 1342 C GLY A 87 2.241 11.172 3.802 1.00 0.00 C ATOM 1343 O GLY A 87 2.614 10.649 2.753 1.00 0.00 O ATOM 0 H GLY A 87 4.230 10.980 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.279 12.982 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.345 12.989 3.553 1.00 0.00 H new ATOM 1347 N GLU A 88 1.195 10.737 4.498 1.00 0.00 N ATOM 1348 CA GLU A 88 0.408 9.591 4.056 1.00 0.00 C ATOM 1349 C GLU A 88 0.336 9.536 2.533 1.00 0.00 C ATOM 1350 O GLU A 88 0.855 8.609 1.909 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.004 9.658 4.642 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.052 9.418 6.142 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.414 8.948 6.614 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -2.868 7.882 6.148 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -3.027 9.646 7.448 1.00 0.00 O ATOM 0 H GLU A 88 0.873 11.160 5.369 1.00 0.00 H new ATOM 0 HA GLU A 88 0.899 8.686 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.432 10.637 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.631 8.918 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.302 8.675 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.789 10.339 6.662 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.311 10.533 1.940 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.453 10.598 0.490 1.00 0.00 C ATOM 1364 C LEU A 89 0.311 11.790 -0.078 1.00 0.00 C ATOM 1365 O LEU A 89 0.621 11.831 -1.269 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.930 10.694 0.106 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.845 9.614 0.682 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.305 10.013 0.529 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.582 8.276 0.007 1.00 0.00 C ATOM 0 H LEU A 89 -0.746 11.308 2.441 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.033 9.685 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.305 11.667 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.005 10.663 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.628 9.511 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.941 9.232 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.484 10.948 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.537 10.146 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.243 7.519 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.770 8.365 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.545 7.984 0.170 1.00 0.00 H new ATOM 1381 N ASP A 90 0.613 12.757 0.781 1.00 0.00 N ATOM 1382 CA ASP A 90 1.344 13.949 0.366 1.00 0.00 C ATOM 1383 C ASP A 90 2.798 13.612 0.050 1.00 0.00 C ATOM 1384 O ASP A 90 3.463 14.328 -0.698 1.00 0.00 O ATOM 1385 CB ASP A 90 1.281 15.018 1.458 1.00 0.00 C ATOM 1386 CG ASP A 90 2.450 15.981 1.394 1.00 0.00 C ATOM 1387 OD1 ASP A 90 3.501 15.680 1.999 1.00 0.00 O ATOM 1388 OD2 ASP A 90 2.315 17.034 0.737 1.00 0.00 O ATOM 0 H ASP A 90 0.363 12.739 1.770 1.00 0.00 H new ATOM 0 HA ASP A 90 0.875 14.337 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.349 15.576 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.265 14.535 2.435 1.00 0.00 H new ATOM 1393 N TYR A 91 3.285 12.518 0.625 1.00 0.00 N ATOM 1394 CA TYR A 91 4.661 12.088 0.408 1.00 0.00 C ATOM 1395 C TYR A 91 4.858 11.596 -1.022 1.00 0.00 C ATOM 1396 O TYR A 91 3.996 10.919 -1.581 1.00 0.00 O ATOM 1397 CB TYR A 91 5.034 10.982 1.396 1.00 0.00 C ATOM 1398 CG TYR A 91 6.500 10.610 1.364 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.057 9.999 0.247 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.326 10.869 2.450 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.395 9.657 0.214 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.666 10.532 2.425 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.195 9.926 1.304 1.00 0.00 C ATOM 1404 OH TYR A 91 10.529 9.587 1.276 1.00 0.00 O ATOM 0 H TYR A 91 2.747 11.913 1.245 1.00 0.00 H new ATOM 0 HA TYR A 91 5.313 12.946 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.771 11.303 2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.438 10.096 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.434 9.788 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.914 11.342 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.812 9.181 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.295 10.742 3.277 1.00 0.00 H new ATOM 0 HH TYR A 91 10.950 9.846 2.122 1.00 0.00 H new ATOM 1414 N GLN A 92 6.001 11.941 -1.608 1.00 0.00 N ATOM 1415 CA GLN A 92 6.312 11.535 -2.973 1.00 0.00 C ATOM 1416 C GLN A 92 7.582 10.691 -3.013 1.00 0.00 C ATOM 1417 O GLN A 92 8.655 11.146 -2.616 1.00 0.00 O ATOM 1418 CB GLN A 92 6.474 12.764 -3.869 1.00 0.00 C ATOM 1419 CG GLN A 92 5.430 13.840 -3.619 1.00 0.00 C ATOM 1420 CD GLN A 92 5.587 15.031 -4.544 1.00 0.00 C ATOM 1421 OE1 GLN A 92 5.194 14.982 -5.710 1.00 0.00 O ATOM 1422 NE2 GLN A 92 6.164 16.110 -4.028 1.00 0.00 N ATOM 0 H GLN A 92 6.726 12.500 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 92 5.484 10.931 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.466 13.189 -3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.420 12.453 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.435 13.413 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.501 14.176 -2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.475 16.107 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.296 16.942 -4.603 1.00 0.00 H new ATOM 1431 N LEU A 93 7.453 9.460 -3.496 1.00 0.00 N ATOM 1432 CA LEU A 93 8.591 8.551 -3.588 1.00 0.00 C ATOM 1433 C LEU A 93 9.584 9.027 -4.644 1.00 0.00 C ATOM 1434 O LEU A 93 9.191 9.490 -5.714 1.00 0.00 O ATOM 1435 CB LEU A 93 8.113 7.137 -3.922 1.00 0.00 C ATOM 1436 CG LEU A 93 7.200 6.476 -2.889 1.00 0.00 C ATOM 1437 CD1 LEU A 93 7.038 4.994 -3.191 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.750 6.678 -1.484 1.00 0.00 C ATOM 0 H LEU A 93 6.572 9.068 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 93 9.095 8.539 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.586 7.169 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.988 6.503 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 93 6.219 6.947 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.385 4.540 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.599 4.870 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.013 4.508 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.087 6.201 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.743 6.233 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.814 7.745 -1.268 1.00 0.00 H new ATOM 1450 N GLN A 94 10.871 8.908 -4.334 1.00 0.00 N ATOM 1451 CA GLN A 94 11.919 9.325 -5.258 1.00 0.00 C ATOM 1452 C GLN A 94 12.406 8.148 -6.097 1.00 0.00 C ATOM 1453 O GLN A 94 12.123 8.067 -7.292 1.00 0.00 O ATOM 1454 CB GLN A 94 13.092 9.937 -4.489 1.00 0.00 C ATOM 1455 CG GLN A 94 12.676 11.019 -3.505 1.00 0.00 C ATOM 1456 CD GLN A 94 12.246 12.300 -4.192 1.00 0.00 C ATOM 1457 OE1 GLN A 94 12.142 12.355 -5.418 1.00 0.00 O ATOM 1458 NE2 GLN A 94 11.995 13.339 -3.405 1.00 0.00 N ATOM 0 H GLN A 94 11.213 8.527 -3.452 1.00 0.00 H new ATOM 0 HA GLN A 94 11.500 10.076 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.613 9.147 -3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.802 10.358 -5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.856 10.649 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.508 11.233 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.094 13.249 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.703 14.228 -3.811 1.00 0.00 H new ATOM 1467 N ASP A 95 13.138 7.239 -5.463 1.00 0.00 N ATOM 1468 CA ASP A 95 13.663 6.066 -6.152 1.00 0.00 C ATOM 1469 C ASP A 95 14.274 5.081 -5.159 1.00 0.00 C ATOM 1470 O ASP A 95 14.555 5.435 -4.014 1.00 0.00 O ATOM 1471 CB ASP A 95 14.710 6.481 -7.187 1.00 0.00 C ATOM 1472 CG ASP A 95 14.968 5.398 -8.216 1.00 0.00 C ATOM 1473 OD1 ASP A 95 14.023 4.646 -8.536 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.114 5.303 -8.702 1.00 0.00 O ATOM 0 H ASP A 95 13.381 7.292 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 95 12.835 5.574 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.377 7.387 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.643 6.724 -6.678 1.00 0.00 H new ATOM 1479 N GLN A 96 14.476 3.846 -5.606 1.00 0.00 N ATOM 1480 CA GLN A 96 15.051 2.811 -4.755 1.00 0.00 C ATOM 1481 C GLN A 96 14.521 2.921 -3.330 1.00 0.00 C ATOM 1482 O GLN A 96 15.184 2.510 -2.377 1.00 0.00 O ATOM 1483 CB GLN A 96 16.578 2.913 -4.754 1.00 0.00 C ATOM 1484 CG GLN A 96 17.238 2.172 -5.906 1.00 0.00 C ATOM 1485 CD GLN A 96 17.278 2.991 -7.180 1.00 0.00 C ATOM 1486 OE1 GLN A 96 16.191 2.954 -7.943 1.00 0.00 O flip ATOM 1487 NE2 GLN A 96 18.274 3.651 -7.477 1.00 0.00 N flip ATOM 0 H GLN A 96 14.250 3.538 -6.552 1.00 0.00 H new ATOM 0 HA GLN A 96 14.759 1.841 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.864 3.964 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.960 2.518 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.254 1.899 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.698 1.243 -6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.088 3.651 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.285 4.198 -8.338 1.00 0.00 H new ATOM 1496 N ASP A 97 13.323 3.477 -3.190 1.00 0.00 N ATOM 1497 CA ASP A 97 12.703 3.641 -1.881 1.00 0.00 C ATOM 1498 C ASP A 97 12.129 2.318 -1.382 1.00 0.00 C ATOM 1499 O ASP A 97 11.824 1.425 -2.173 1.00 0.00 O ATOM 1500 CB ASP A 97 11.601 4.699 -1.943 1.00 0.00 C ATOM 1501 CG ASP A 97 11.406 5.411 -0.618 1.00 0.00 C ATOM 1502 OD1 ASP A 97 12.311 6.172 -0.215 1.00 0.00 O ATOM 1503 OD2 ASP A 97 10.349 5.208 0.014 1.00 0.00 O ATOM 0 H ASP A 97 12.761 3.822 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 97 13.471 3.970 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.847 5.431 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.664 4.227 -2.240 1.00 0.00 H new ATOM 1508 N SER A 98 11.985 2.199 -0.066 1.00 0.00 N ATOM 1509 CA SER A 98 11.452 0.984 0.538 1.00 0.00 C ATOM 1510 C SER A 98 10.074 1.236 1.141 1.00 0.00 C ATOM 1511 O SER A 98 9.910 2.103 2.000 1.00 0.00 O ATOM 1512 CB SER A 98 12.406 0.464 1.616 1.00 0.00 C ATOM 1513 OG SER A 98 12.448 1.344 2.726 1.00 0.00 O ATOM 0 H SER A 98 12.230 2.930 0.602 1.00 0.00 H new ATOM 0 HA SER A 98 11.354 0.232 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.085 -0.525 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.406 0.353 1.198 1.00 0.00 H new ATOM 0 HG SER A 98 12.574 2.263 2.410 1.00 0.00 H new ATOM 1519 N ILE A 99 9.087 0.474 0.684 1.00 0.00 N ATOM 1520 CA ILE A 99 7.723 0.613 1.178 1.00 0.00 C ATOM 1521 C ILE A 99 7.243 -0.675 1.839 1.00 0.00 C ATOM 1522 O ILE A 99 7.204 -1.732 1.208 1.00 0.00 O ATOM 1523 CB ILE A 99 6.749 0.990 0.046 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.419 1.958 -0.931 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.480 1.601 0.620 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.747 3.303 -0.320 1.00 0.00 C ATOM 0 H ILE A 99 9.206 -0.247 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 99 7.736 1.414 1.917 1.00 0.00 H new ATOM 0 HB ILE A 99 6.478 0.085 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.337 1.505 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.763 2.108 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.802 1.862 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.996 0.881 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.732 2.499 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.220 3.938 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.830 3.777 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.428 3.165 0.520 1.00 0.00 H new ATOM 1538 N LEU A 100 6.876 -0.579 3.112 1.00 0.00 N ATOM 1539 CA LEU A 100 6.396 -1.736 3.860 1.00 0.00 C ATOM 1540 C LEU A 100 4.908 -1.607 4.166 1.00 0.00 C ATOM 1541 O LEU A 100 4.405 -0.509 4.406 1.00 0.00 O ATOM 1542 CB LEU A 100 7.185 -1.891 5.161 1.00 0.00 C ATOM 1543 CG LEU A 100 6.568 -2.811 6.215 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.614 -4.259 5.751 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.285 -2.653 7.547 1.00 0.00 C ATOM 0 H LEU A 100 6.902 0.288 3.648 1.00 0.00 H new ATOM 0 HA LEU A 100 6.546 -2.623 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.179 -2.266 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.317 -0.903 5.602 1.00 0.00 H new ATOM 0 HG LEU A 100 5.525 -2.527 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.171 -4.900 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.054 -4.361 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.650 -4.555 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.832 -3.315 8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.337 -2.910 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.200 -1.620 7.886 1.00 0.00 H new ATOM 1557 N PHE A 101 4.207 -2.737 4.158 1.00 0.00 N ATOM 1558 CA PHE A 101 2.776 -2.750 4.437 1.00 0.00 C ATOM 1559 C PHE A 101 2.423 -3.866 5.415 1.00 0.00 C ATOM 1560 O PHE A 101 2.871 -5.004 5.264 1.00 0.00 O ATOM 1561 CB PHE A 101 1.984 -2.925 3.139 1.00 0.00 C ATOM 1562 CG PHE A 101 2.183 -1.804 2.160 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.315 -1.756 1.362 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.238 -0.798 2.037 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.500 -0.724 0.461 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.418 0.235 1.137 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.550 0.272 0.347 1.00 0.00 C ATOM 0 H PHE A 101 4.607 -3.655 3.961 1.00 0.00 H new ATOM 0 HA PHE A 101 2.511 -1.795 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.276 -3.864 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.923 -3.004 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.061 -2.533 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.350 -0.822 2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.387 -0.697 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.674 1.013 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.692 1.078 -0.358 1.00 0.00 H new ATOM 1577 N ILE A 102 1.618 -3.533 6.419 1.00 0.00 N ATOM 1578 CA ILE A 102 1.205 -4.506 7.422 1.00 0.00 C ATOM 1579 C ILE A 102 -0.314 -4.633 7.471 1.00 0.00 C ATOM 1580 O ILE A 102 -1.031 -3.633 7.470 1.00 0.00 O ATOM 1581 CB ILE A 102 1.722 -4.126 8.822 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.250 -4.205 8.863 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.111 -5.036 9.877 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.841 -3.780 10.189 1.00 0.00 C ATOM 0 H ILE A 102 1.239 -2.596 6.559 1.00 0.00 H new ATOM 0 HA ILE A 102 1.639 -5.463 7.131 1.00 0.00 H new ATOM 0 HB ILE A 102 1.423 -3.100 9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.559 -5.228 8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.660 -3.575 8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.486 -4.755 10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.026 -4.935 9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.383 -6.070 9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.927 -3.861 10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.562 -2.747 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.460 -4.425 10.981 1.00 0.00 H new ATOM 1596 N SER A 103 -0.798 -5.871 7.516 1.00 0.00 N ATOM 1597 CA SER A 103 -2.232 -6.129 7.564 1.00 0.00 C ATOM 1598 C SER A 103 -2.651 -6.614 8.949 1.00 0.00 C ATOM 1599 O SER A 103 -2.091 -7.574 9.480 1.00 0.00 O ATOM 1600 CB SER A 103 -2.620 -7.168 6.510 1.00 0.00 C ATOM 1601 OG SER A 103 -3.985 -7.045 6.151 1.00 0.00 O ATOM 0 H SER A 103 -0.218 -6.710 7.520 1.00 0.00 H new ATOM 0 HA SER A 103 -2.751 -5.194 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.995 -7.044 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.431 -8.170 6.896 1.00 0.00 H new ATOM 0 HG SER A 103 -4.207 -7.719 5.475 1.00 0.00 H new ATOM 1607 N THR A 104 -3.639 -5.941 9.530 1.00 0.00 N ATOM 1608 CA THR A 104 -4.133 -6.301 10.854 1.00 0.00 C ATOM 1609 C THR A 104 -5.653 -6.419 10.860 1.00 0.00 C ATOM 1610 O THR A 104 -6.214 -7.314 11.493 1.00 0.00 O ATOM 1611 CB THR A 104 -3.706 -5.267 11.913 1.00 0.00 C ATOM 1612 OG1 THR A 104 -4.172 -5.669 13.206 1.00 0.00 O ATOM 1613 CG2 THR A 104 -4.254 -3.889 11.576 1.00 0.00 C ATOM 0 H THR A 104 -4.113 -5.144 9.105 1.00 0.00 H new ATOM 0 HA THR A 104 -3.695 -7.268 11.103 1.00 0.00 H new ATOM 0 HB THR A 104 -2.617 -5.215 11.920 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.895 -5.007 13.874 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.939 -3.176 12.338 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.873 -3.574 10.605 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.343 -3.928 11.544 1.00 0.00 H new