USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 620 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 59 CYS SG : rot -55:sc= 0.84 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 171:sc= 1.1 (180deg=1.03) USER MOD Single : A 11 THR OG1 : rot -22:sc= 0.0764 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.36) USER MOD Single : A 45 HIS : no HE2:sc= -3.24! C(o=-3.2!,f=-7.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -78:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 78 ASN : amide:sc= -0.035 K(o=-0.035,f=-0.56) USER MOD Single : A 79 MET CE :methyl 156:sc= -0.492 (180deg=-0.504) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.105 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.025 -11.191 -9.397 1.00 0.00 N ATOM 114 CA THR A 11 -8.700 -10.136 -8.462 1.00 0.00 C ATOM 115 C THR A 11 -9.070 -8.807 -9.127 1.00 0.00 C ATOM 116 O THR A 11 -9.162 -8.755 -10.358 1.00 0.00 O ATOM 117 CB THR A 11 -7.204 -10.201 -8.102 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.362 -10.171 -9.246 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.826 -11.446 -7.295 1.00 0.00 C ATOM 0 HA THR A 11 -9.256 -10.242 -7.530 1.00 0.00 H new ATOM 0 HB THR A 11 -7.047 -9.310 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.868 -10.464 -10.032 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.758 -11.427 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.388 -11.459 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.062 -12.340 -7.873 1.00 0.00 H new ATOM 127 N SER A 12 -9.165 -7.725 -8.358 1.00 0.00 N ATOM 128 CA SER A 12 -9.375 -6.373 -8.862 1.00 0.00 C ATOM 129 C SER A 12 -8.294 -5.460 -8.304 1.00 0.00 C ATOM 130 O SER A 12 -7.754 -5.740 -7.232 1.00 0.00 O ATOM 131 CB SER A 12 -10.770 -5.899 -8.462 1.00 0.00 C ATOM 132 OG SER A 12 -11.716 -6.639 -9.199 1.00 0.00 O ATOM 0 H SER A 12 -9.096 -7.767 -7.341 1.00 0.00 H new ATOM 0 HA SER A 12 -9.309 -6.355 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.927 -6.040 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.881 -4.833 -8.663 1.00 0.00 H new ATOM 0 HG SER A 12 -12.620 -6.350 -8.955 1.00 0.00 H new ATOM 138 N ASP A 13 -7.978 -4.394 -9.037 1.00 0.00 N ATOM 139 CA ASP A 13 -6.952 -3.406 -8.724 1.00 0.00 C ATOM 140 C ASP A 13 -7.695 -2.130 -8.326 1.00 0.00 C ATOM 141 O ASP A 13 -8.275 -1.456 -9.180 1.00 0.00 O ATOM 142 CB ASP A 13 -6.042 -3.181 -9.957 1.00 0.00 C ATOM 143 CG ASP A 13 -4.609 -3.723 -9.849 1.00 0.00 C ATOM 144 OD1 ASP A 13 -4.111 -4.097 -8.763 1.00 0.00 O ATOM 145 OD2 ASP A 13 -3.905 -3.700 -10.890 1.00 0.00 O ATOM 0 H ASP A 13 -8.458 -4.187 -9.913 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.301 -3.733 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.518 -3.641 -10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.990 -2.110 -10.153 1.00 0.00 H new ATOM 150 N VAL A 14 -7.758 -1.821 -7.031 1.00 0.00 N ATOM 151 CA VAL A 14 -8.433 -0.632 -6.522 1.00 0.00 C ATOM 152 C VAL A 14 -7.421 0.505 -6.528 1.00 0.00 C ATOM 153 O VAL A 14 -6.620 0.626 -5.594 1.00 0.00 O ATOM 154 CB VAL A 14 -9.043 -0.869 -5.119 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.014 0.269 -4.786 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.826 -2.186 -5.055 1.00 0.00 C ATOM 0 H VAL A 14 -7.337 -2.396 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.279 -0.377 -7.160 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.218 -0.909 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.444 0.103 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.478 1.218 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.811 0.296 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.238 -2.316 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.638 -2.162 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.159 -3.017 -5.283 1.00 0.00 H new ATOM 166 N VAL A 15 -7.418 1.311 -7.590 1.00 0.00 N ATOM 167 CA VAL A 15 -6.625 2.527 -7.616 1.00 0.00 C ATOM 168 C VAL A 15 -7.335 3.616 -6.804 1.00 0.00 C ATOM 169 O VAL A 15 -8.559 3.784 -6.883 1.00 0.00 O ATOM 170 CB VAL A 15 -6.269 2.920 -9.062 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.452 3.460 -9.871 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.111 3.929 -9.073 1.00 0.00 C ATOM 0 H VAL A 15 -7.957 1.139 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.661 2.368 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.964 1.997 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.119 3.714 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.231 2.700 -9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.849 4.351 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.871 4.197 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.403 4.824 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.236 3.483 -8.601 1.00 0.00 H new ATOM 182 N ILE A 16 -6.563 4.366 -6.016 1.00 0.00 N ATOM 183 CA ILE A 16 -7.006 5.543 -5.271 1.00 0.00 C ATOM 184 C ILE A 16 -5.941 6.607 -5.505 1.00 0.00 C ATOM 185 O ILE A 16 -4.750 6.284 -5.502 1.00 0.00 O ATOM 186 CB ILE A 16 -7.159 5.222 -3.762 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.152 4.064 -3.525 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.626 6.465 -2.965 1.00 0.00 C ATOM 189 CD1 ILE A 16 -7.971 3.376 -2.179 1.00 0.00 C ATOM 0 H ILE A 16 -5.574 4.161 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.985 5.883 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.174 4.920 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.170 4.448 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.035 3.327 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.723 6.206 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.894 7.265 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.590 6.801 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.701 2.573 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.965 2.962 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.117 4.100 -1.378 1.00 0.00 H new ATOM 201 N HIS A 17 -6.354 7.866 -5.650 1.00 0.00 N ATOM 202 CA HIS A 17 -5.473 9.013 -5.828 1.00 0.00 C ATOM 203 C HIS A 17 -5.622 9.954 -4.627 1.00 0.00 C ATOM 204 O HIS A 17 -6.746 10.195 -4.189 1.00 0.00 O ATOM 205 CB HIS A 17 -5.841 9.712 -7.140 1.00 0.00 C ATOM 206 CG HIS A 17 -5.610 8.877 -8.380 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.494 8.926 -9.189 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.474 7.958 -8.918 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.683 8.044 -10.187 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.871 7.430 -10.066 1.00 0.00 N ATOM 0 H HIS A 17 -7.342 8.120 -5.646 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.430 8.700 -5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.892 10.000 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.261 10.631 -7.223 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.444 7.690 -8.527 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.974 7.855 -10.980 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.258 6.720 -10.687 1.00 0.00 H new ATOM 218 N ARG A 18 -4.524 10.497 -4.084 1.00 0.00 N ATOM 219 CA ARG A 18 -4.552 11.492 -3.006 1.00 0.00 C ATOM 220 C ARG A 18 -3.914 12.787 -3.492 1.00 0.00 C ATOM 221 O ARG A 18 -3.429 12.850 -4.624 1.00 0.00 O ATOM 222 CB ARG A 18 -3.891 10.967 -1.720 1.00 0.00 C ATOM 223 CG ARG A 18 -2.405 10.629 -1.881 1.00 0.00 C ATOM 224 CD ARG A 18 -1.729 10.247 -0.565 1.00 0.00 C ATOM 225 NE ARG A 18 -0.295 10.020 -0.797 1.00 0.00 N ATOM 226 CZ ARG A 18 0.529 9.117 -0.260 1.00 0.00 C ATOM 227 NH1 ARG A 18 0.117 8.392 0.775 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.751 8.974 -0.762 1.00 0.00 N ATOM 0 H ARG A 18 -3.580 10.254 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.591 11.695 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.001 11.715 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.423 10.076 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.301 9.806 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.888 11.487 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.868 11.039 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.189 9.347 -0.156 1.00 0.00 H new ATOM 0 HE ARG A 18 0.137 10.650 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.821 8.528 1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.739 7.700 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.050 9.551 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.390 8.288 -0.361 1.00 0.00 H new ATOM 242 N LYS A 19 -3.938 13.828 -2.661 1.00 0.00 N ATOM 243 CA LYS A 19 -3.183 15.059 -2.887 1.00 0.00 C ATOM 244 C LYS A 19 -1.867 14.981 -2.101 1.00 0.00 C ATOM 245 O LYS A 19 -1.733 14.124 -1.226 1.00 0.00 O ATOM 246 CB LYS A 19 -4.003 16.294 -2.505 1.00 0.00 C ATOM 247 CG LYS A 19 -5.210 16.553 -3.421 1.00 0.00 C ATOM 248 CD LYS A 19 -6.498 15.802 -3.047 1.00 0.00 C ATOM 249 CE LYS A 19 -6.718 14.464 -3.777 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.141 14.268 -4.132 1.00 0.00 N ATOM 0 H LYS A 19 -4.488 13.840 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.957 15.159 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.356 16.180 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.353 17.169 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.421 17.622 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.935 16.282 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.490 15.614 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.349 16.452 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.109 14.437 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.384 13.643 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.254 13.358 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.718 14.270 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.452 15.039 -4.757 1.00 0.00 H new ATOM 264 N GLU A 20 -0.891 15.837 -2.416 1.00 0.00 N ATOM 265 CA GLU A 20 0.446 15.752 -1.820 1.00 0.00 C ATOM 266 C GLU A 20 0.465 16.179 -0.350 1.00 0.00 C ATOM 267 O GLU A 20 1.194 15.586 0.450 1.00 0.00 O ATOM 268 CB GLU A 20 1.473 16.580 -2.617 1.00 0.00 C ATOM 269 CG GLU A 20 2.228 15.734 -3.646 1.00 0.00 C ATOM 270 CD GLU A 20 3.460 16.392 -4.263 1.00 0.00 C ATOM 271 OE1 GLU A 20 3.789 17.561 -3.972 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.099 15.723 -5.110 1.00 0.00 O ATOM 0 H GLU A 20 -1.002 16.600 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 20 0.727 14.700 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.961 17.397 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.186 17.031 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.535 14.803 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.539 15.469 -4.448 1.00 0.00 H new ATOM 279 N ASN A 21 -0.295 17.212 0.022 1.00 0.00 N ATOM 280 CA ASN A 21 -0.273 17.800 1.370 1.00 0.00 C ATOM 281 C ASN A 21 -1.041 16.939 2.388 1.00 0.00 C ATOM 282 O ASN A 21 -1.528 17.442 3.400 1.00 0.00 O ATOM 283 CB ASN A 21 -0.823 19.239 1.312 1.00 0.00 C ATOM 284 CG ASN A 21 -0.527 20.023 2.591 1.00 0.00 C ATOM 285 OD1 ASN A 21 0.615 20.082 3.034 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.516 20.655 3.199 1.00 0.00 N ATOM 0 H ASN A 21 -0.952 17.671 -0.609 1.00 0.00 H new ATOM 0 HA ASN A 21 0.760 17.831 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.386 19.759 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.900 19.208 1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.332 21.197 4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.463 20.601 2.824 1.00 0.00 H new ATOM 293 N GLU A 22 -1.286 15.660 2.094 1.00 0.00 N ATOM 294 CA GLU A 22 -2.189 14.800 2.845 1.00 0.00 C ATOM 295 C GLU A 22 -1.908 13.326 2.561 1.00 0.00 C ATOM 296 O GLU A 22 -0.848 12.980 2.030 1.00 0.00 O ATOM 297 CB GLU A 22 -3.651 15.225 2.601 1.00 0.00 C ATOM 298 CG GLU A 22 -4.032 15.347 1.121 1.00 0.00 C ATOM 299 CD GLU A 22 -5.361 16.079 0.978 1.00 0.00 C ATOM 300 OE1 GLU A 22 -5.379 17.323 1.127 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.378 15.420 0.655 1.00 0.00 O ATOM 0 H GLU A 22 -0.847 15.186 1.305 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.010 14.923 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.312 14.500 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.825 16.184 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.253 15.884 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.105 14.356 0.674 1.00 0.00 H new ATOM 308 N GLY A 23 -2.802 12.453 3.026 1.00 0.00 N ATOM 309 CA GLY A 23 -2.692 11.008 2.984 1.00 0.00 C ATOM 310 C GLY A 23 -3.857 10.398 2.220 1.00 0.00 C ATOM 311 O GLY A 23 -4.618 11.098 1.547 1.00 0.00 O ATOM 0 H GLY A 23 -3.669 12.761 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.752 10.724 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.670 10.611 3.999 1.00 0.00 H new ATOM 315 N PHE A 24 -3.968 9.070 2.304 1.00 0.00 N ATOM 316 CA PHE A 24 -5.174 8.369 1.904 1.00 0.00 C ATOM 317 C PHE A 24 -6.101 8.384 3.127 1.00 0.00 C ATOM 318 O PHE A 24 -6.563 9.450 3.536 1.00 0.00 O ATOM 319 CB PHE A 24 -4.816 6.967 1.382 1.00 0.00 C ATOM 320 CG PHE A 24 -3.948 6.967 0.138 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.502 7.326 -1.106 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.592 6.597 0.212 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.716 7.290 -2.268 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.813 6.545 -0.954 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.373 6.894 -2.191 1.00 0.00 C ATOM 0 H PHE A 24 -3.226 8.461 2.649 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.695 8.844 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.300 6.419 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.737 6.426 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.536 7.630 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.151 6.353 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.145 7.567 -3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.780 6.235 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.769 6.858 -3.086 1.00 0.00 H new ATOM 335 N GLY A 25 -6.330 7.236 3.761 1.00 0.00 N ATOM 336 CA GLY A 25 -7.137 7.140 4.962 1.00 0.00 C ATOM 337 C GLY A 25 -7.758 5.758 5.059 1.00 0.00 C ATOM 338 O GLY A 25 -8.979 5.649 5.087 1.00 0.00 O ATOM 0 H GLY A 25 -5.954 6.341 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.522 7.334 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.919 7.899 4.947 1.00 0.00 H new ATOM 342 N PHE A 26 -6.936 4.710 5.094 1.00 0.00 N ATOM 343 CA PHE A 26 -7.395 3.335 5.210 1.00 0.00 C ATOM 344 C PHE A 26 -6.435 2.574 6.117 1.00 0.00 C ATOM 345 O PHE A 26 -5.217 2.682 5.960 1.00 0.00 O ATOM 346 CB PHE A 26 -7.528 2.694 3.820 1.00 0.00 C ATOM 347 CG PHE A 26 -6.238 2.480 3.044 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.520 1.274 3.177 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.765 3.477 2.168 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.337 1.073 2.446 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.587 3.269 1.429 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.871 2.069 1.572 1.00 0.00 C ATOM 0 H PHE A 26 -5.921 4.798 5.042 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.387 3.301 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.020 1.728 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.188 3.319 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.880 0.503 3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.309 4.404 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.785 0.151 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.233 4.032 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.962 1.912 1.010 1.00 0.00 H new ATOM 362 N VAL A 27 -6.975 1.811 7.064 1.00 0.00 N ATOM 363 CA VAL A 27 -6.211 1.147 8.106 1.00 0.00 C ATOM 364 C VAL A 27 -6.326 -0.356 7.882 1.00 0.00 C ATOM 365 O VAL A 27 -7.416 -0.932 7.995 1.00 0.00 O ATOM 366 CB VAL A 27 -6.693 1.570 9.507 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.686 1.067 10.545 1.00 0.00 C ATOM 368 CG2 VAL A 27 -6.852 3.094 9.656 1.00 0.00 C ATOM 0 H VAL A 27 -7.978 1.636 7.126 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.162 1.439 8.054 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.679 1.130 9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.015 1.359 11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.618 -0.019 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.707 1.502 10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.194 3.327 10.664 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.893 3.579 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.582 3.456 8.933 1.00 0.00 H new ATOM 378 N ILE A 28 -5.200 -0.982 7.541 1.00 0.00 N ATOM 379 CA ILE A 28 -5.089 -2.426 7.424 1.00 0.00 C ATOM 380 C ILE A 28 -5.074 -3.021 8.839 1.00 0.00 C ATOM 381 O ILE A 28 -4.287 -2.575 9.679 1.00 0.00 O ATOM 382 CB ILE A 28 -3.823 -2.806 6.623 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.808 -2.098 5.243 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.746 -4.331 6.475 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.662 -2.511 4.307 1.00 0.00 C ATOM 0 H ILE A 28 -4.331 -0.489 7.337 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.939 -2.833 6.877 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.941 -2.467 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.755 -2.296 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.753 -1.022 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.853 -4.597 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.701 -4.791 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.629 -4.690 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.741 -1.960 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.706 -2.286 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.724 -3.580 4.105 1.00 0.00 H new ATOM 397 N ILE A 29 -5.896 -4.040 9.094 1.00 0.00 N ATOM 398 CA ILE A 29 -5.908 -4.829 10.312 1.00 0.00 C ATOM 399 C ILE A 29 -5.648 -6.304 9.979 1.00 0.00 C ATOM 400 O ILE A 29 -5.726 -6.702 8.812 1.00 0.00 O ATOM 401 CB ILE A 29 -7.246 -4.629 11.054 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.464 -5.338 10.412 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.541 -3.135 11.272 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.677 -5.383 11.357 1.00 0.00 C ATOM 0 H ILE A 29 -6.600 -4.346 8.423 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.111 -4.496 10.977 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.104 -5.119 12.017 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.741 -4.820 9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.185 -6.354 10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.490 -3.024 11.797 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.743 -2.690 11.866 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.599 -2.631 10.307 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.505 -5.890 10.862 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.411 -5.924 12.265 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.975 -4.367 11.615 1.00 0.00 H new ATOM 616 N PRO A 44 -4.724 -12.172 6.775 1.00 0.00 N ATOM 617 CA PRO A 44 -3.806 -11.411 7.610 1.00 0.00 C ATOM 618 C PRO A 44 -3.798 -9.904 7.309 1.00 0.00 C ATOM 619 O PRO A 44 -3.241 -9.165 8.115 1.00 0.00 O ATOM 620 CB PRO A 44 -2.430 -12.035 7.362 1.00 0.00 C ATOM 621 CG PRO A 44 -2.519 -12.530 5.923 1.00 0.00 C ATOM 622 CD PRO A 44 -3.982 -12.944 5.786 1.00 0.00 C ATOM 0 HA PRO A 44 -4.112 -11.467 8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.630 -11.305 7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.228 -12.851 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.253 -11.748 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.845 -13.368 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.350 -12.742 4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.101 -14.013 5.960 1.00 0.00 H new ATOM 630 N HIS A 45 -4.361 -9.423 6.189 1.00 0.00 N ATOM 631 CA HIS A 45 -4.494 -7.995 5.880 1.00 0.00 C ATOM 632 C HIS A 45 -5.856 -7.717 5.262 1.00 0.00 C ATOM 633 O HIS A 45 -6.152 -8.200 4.167 1.00 0.00 O ATOM 634 CB HIS A 45 -3.445 -7.508 4.872 1.00 0.00 C ATOM 635 CG HIS A 45 -2.066 -7.238 5.409 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.413 -7.871 6.440 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.224 -6.287 4.915 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.185 -7.337 6.535 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.037 -6.361 5.628 1.00 0.00 N ATOM 0 H HIS A 45 -4.742 -10.028 5.462 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.360 -7.470 6.826 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.362 -8.253 4.081 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.816 -6.593 4.411 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.793 -8.613 7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.442 -5.599 4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.573 -7.648 7.239 1.00 0.00 H new ATOM 647 N LYS A 46 -6.665 -6.880 5.902 1.00 0.00 N ATOM 648 CA LYS A 46 -7.883 -6.341 5.295 1.00 0.00 C ATOM 649 C LYS A 46 -8.073 -4.911 5.752 1.00 0.00 C ATOM 650 O LYS A 46 -7.508 -4.512 6.769 1.00 0.00 O ATOM 651 CB LYS A 46 -9.118 -7.194 5.643 1.00 0.00 C ATOM 652 CG LYS A 46 -9.512 -7.165 7.131 1.00 0.00 C ATOM 653 CD LYS A 46 -10.984 -7.541 7.312 1.00 0.00 C ATOM 654 CE LYS A 46 -11.342 -7.420 8.792 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.754 -7.767 9.048 1.00 0.00 N ATOM 0 H LYS A 46 -6.498 -6.555 6.854 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.774 -6.368 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.963 -6.847 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.926 -8.226 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.884 -7.857 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.333 -6.170 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.618 -6.885 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.160 -8.558 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.696 -8.075 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.152 -6.401 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.956 -7.672 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.372 -7.126 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.930 -8.748 8.750 1.00 0.00 H new ATOM 669 N ILE A 47 -8.926 -4.163 5.063 1.00 0.00 N ATOM 670 CA ILE A 47 -9.423 -2.896 5.574 1.00 0.00 C ATOM 671 C ILE A 47 -10.219 -3.186 6.847 1.00 0.00 C ATOM 672 O ILE A 47 -11.159 -3.985 6.812 1.00 0.00 O ATOM 673 CB ILE A 47 -10.302 -2.202 4.516 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.615 -2.066 3.142 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.771 -0.829 5.021 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.313 -1.264 3.149 1.00 0.00 C ATOM 0 H ILE A 47 -9.288 -4.416 4.144 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.597 -2.222 5.801 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.166 -2.848 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.408 -3.064 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.312 -1.594 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.391 -0.354 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.352 -0.956 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.904 -0.201 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.905 -1.224 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.511 -0.252 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.593 -1.744 3.812 1.00 0.00 H new ATOM 688 N GLY A 48 -9.857 -2.524 7.947 1.00 0.00 N ATOM 689 CA GLY A 48 -10.600 -2.558 9.201 1.00 0.00 C ATOM 690 C GLY A 48 -11.260 -1.227 9.553 1.00 0.00 C ATOM 691 O GLY A 48 -12.231 -1.228 10.306 1.00 0.00 O ATOM 0 H GLY A 48 -9.023 -1.939 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.367 -3.330 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.924 -2.844 10.007 1.00 0.00 H new ATOM 695 N ARG A 49 -10.753 -0.103 9.043 1.00 0.00 N ATOM 696 CA ARG A 49 -11.319 1.230 9.238 1.00 0.00 C ATOM 697 C ARG A 49 -10.887 2.065 8.045 1.00 0.00 C ATOM 698 O ARG A 49 -9.772 1.878 7.550 1.00 0.00 O ATOM 699 CB ARG A 49 -10.771 1.819 10.557 1.00 0.00 C ATOM 700 CG ARG A 49 -11.251 3.249 10.879 1.00 0.00 C ATOM 701 CD ARG A 49 -10.673 3.790 12.193 1.00 0.00 C ATOM 702 NE ARG A 49 -10.999 2.926 13.335 1.00 0.00 N ATOM 703 CZ ARG A 49 -10.373 2.903 14.514 1.00 0.00 C ATOM 704 NH1 ARG A 49 -9.488 3.834 14.845 1.00 0.00 N ATOM 705 NH2 ARG A 49 -10.641 1.907 15.349 1.00 0.00 N ATOM 0 H ARG A 49 -9.912 -0.097 8.466 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.407 1.210 9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.058 1.162 11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.682 1.818 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.969 3.914 10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.339 3.258 10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.590 3.879 12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.061 4.792 12.374 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.780 2.281 13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.273 4.588 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.022 3.796 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.310 1.185 15.083 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.178 1.864 16.257 1.00 0.00 H new ATOM 719 N ILE A 50 -11.725 3.005 7.631 1.00 0.00 N ATOM 720 CA ILE A 50 -11.407 4.042 6.670 1.00 0.00 C ATOM 721 C ILE A 50 -11.809 5.369 7.314 1.00 0.00 C ATOM 722 O ILE A 50 -12.696 5.424 8.170 1.00 0.00 O ATOM 723 CB ILE A 50 -12.108 3.708 5.332 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.194 2.802 4.485 1.00 0.00 C ATOM 725 CG2 ILE A 50 -12.504 4.944 4.516 1.00 0.00 C ATOM 726 CD1 ILE A 50 -11.912 2.137 3.308 1.00 0.00 C ATOM 0 H ILE A 50 -12.684 3.065 7.972 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.348 4.114 6.422 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.036 3.197 5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.361 3.394 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.769 2.028 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.990 4.630 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.192 5.558 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.612 5.524 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.207 1.514 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.727 1.518 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.313 2.904 2.646 1.00 0.00 H new ATOM 738 N ILE A 51 -11.098 6.435 6.965 1.00 0.00 N ATOM 739 CA ILE A 51 -11.376 7.797 7.353 1.00 0.00 C ATOM 740 C ILE A 51 -12.518 8.292 6.468 1.00 0.00 C ATOM 741 O ILE A 51 -12.373 8.363 5.246 1.00 0.00 O ATOM 742 CB ILE A 51 -10.068 8.600 7.212 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.071 8.282 8.341 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.305 10.104 7.330 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.471 6.886 8.432 1.00 0.00 C ATOM 0 H ILE A 51 -10.271 6.360 6.373 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.699 7.906 8.388 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.681 8.321 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.245 8.989 8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.572 8.486 9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.357 10.631 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.989 10.427 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.739 10.329 8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.792 6.837 9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.269 6.155 8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.922 6.665 7.516 1.00 0.00 H new ATOM 757 N ASP A 52 -13.641 8.621 7.099 1.00 0.00 N ATOM 758 CA ASP A 52 -14.849 9.182 6.509 1.00 0.00 C ATOM 759 C ASP A 52 -14.481 10.423 5.687 1.00 0.00 C ATOM 760 O ASP A 52 -14.167 11.484 6.234 1.00 0.00 O ATOM 761 CB ASP A 52 -15.869 9.513 7.619 1.00 0.00 C ATOM 762 CG ASP A 52 -16.366 8.277 8.372 1.00 0.00 C ATOM 763 OD1 ASP A 52 -15.560 7.696 9.138 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.537 7.870 8.203 1.00 0.00 O ATOM 0 H ASP A 52 -13.736 8.493 8.106 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.313 8.456 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.412 10.203 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.722 10.028 7.177 1.00 0.00 H new ATOM 769 N GLY A 53 -14.485 10.296 4.361 1.00 0.00 N ATOM 770 CA GLY A 53 -14.216 11.379 3.427 1.00 0.00 C ATOM 771 C GLY A 53 -12.765 11.452 2.960 1.00 0.00 C ATOM 772 O GLY A 53 -12.419 12.393 2.249 1.00 0.00 O ATOM 0 H GLY A 53 -14.682 9.409 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.861 11.262 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.483 12.325 3.898 1.00 0.00 H new ATOM 776 N SER A 54 -11.919 10.473 3.288 1.00 0.00 N ATOM 777 CA SER A 54 -10.639 10.312 2.599 1.00 0.00 C ATOM 778 C SER A 54 -10.882 9.967 1.127 1.00 0.00 C ATOM 779 O SER A 54 -11.974 9.510 0.780 1.00 0.00 O ATOM 780 CB SER A 54 -9.810 9.211 3.269 1.00 0.00 C ATOM 781 OG SER A 54 -10.527 7.998 3.398 1.00 0.00 O ATOM 0 H SER A 54 -12.096 9.785 4.020 1.00 0.00 H new ATOM 0 HA SER A 54 -10.085 11.249 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.906 9.035 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.492 9.549 4.256 1.00 0.00 H new ATOM 0 HG SER A 54 -11.146 8.063 4.155 1.00 0.00 H new ATOM 787 N PRO A 55 -9.863 10.049 0.254 1.00 0.00 N ATOM 788 CA PRO A 55 -9.975 9.534 -1.107 1.00 0.00 C ATOM 789 C PRO A 55 -10.300 8.035 -1.152 1.00 0.00 C ATOM 790 O PRO A 55 -10.861 7.583 -2.148 1.00 0.00 O ATOM 791 CB PRO A 55 -8.634 9.819 -1.782 1.00 0.00 C ATOM 792 CG PRO A 55 -7.667 10.056 -0.624 1.00 0.00 C ATOM 793 CD PRO A 55 -8.554 10.646 0.474 1.00 0.00 C ATOM 0 HA PRO A 55 -10.803 10.022 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.315 8.980 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.695 10.691 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.194 9.129 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.867 10.741 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.170 10.404 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.598 11.733 0.406 1.00 0.00 H new ATOM 801 N ALA A 56 -9.975 7.262 -0.106 1.00 0.00 N ATOM 802 CA ALA A 56 -10.384 5.867 -0.019 1.00 0.00 C ATOM 803 C ALA A 56 -11.908 5.804 -0.020 1.00 0.00 C ATOM 804 O ALA A 56 -12.496 5.249 -0.944 1.00 0.00 O ATOM 805 CB ALA A 56 -9.781 5.200 1.223 1.00 0.00 C ATOM 0 H ALA A 56 -9.428 7.588 0.691 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.010 5.314 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.100 4.159 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.693 5.244 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.121 5.722 2.117 1.00 0.00 H new ATOM 811 N ASP A 57 -12.543 6.424 0.973 1.00 0.00 N ATOM 812 CA ASP A 57 -13.996 6.372 1.106 1.00 0.00 C ATOM 813 C ASP A 57 -14.680 7.086 -0.060 1.00 0.00 C ATOM 814 O ASP A 57 -15.639 6.579 -0.632 1.00 0.00 O ATOM 815 CB ASP A 57 -14.436 6.997 2.434 1.00 0.00 C ATOM 816 CG ASP A 57 -15.696 6.304 2.952 1.00 0.00 C ATOM 817 OD1 ASP A 57 -15.635 5.105 3.312 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.746 6.969 3.053 1.00 0.00 O ATOM 0 H ASP A 57 -12.073 6.968 1.697 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.296 5.324 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.636 6.909 3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.628 8.061 2.298 1.00 0.00 H new ATOM 823 N ARG A 58 -14.161 8.254 -0.462 1.00 0.00 N ATOM 824 CA ARG A 58 -14.782 9.086 -1.491 1.00 0.00 C ATOM 825 C ARG A 58 -14.688 8.469 -2.869 1.00 0.00 C ATOM 826 O ARG A 58 -15.483 8.845 -3.738 1.00 0.00 O ATOM 827 CB ARG A 58 -14.155 10.489 -1.564 1.00 0.00 C ATOM 828 CG ARG A 58 -14.479 11.371 -0.350 1.00 0.00 C ATOM 829 CD ARG A 58 -15.045 12.741 -0.759 1.00 0.00 C ATOM 830 NE ARG A 58 -14.213 13.858 -0.305 1.00 0.00 N ATOM 831 CZ ARG A 58 -14.518 15.152 -0.435 1.00 0.00 C ATOM 832 NH1 ARG A 58 -15.733 15.552 -0.804 1.00 0.00 N ATOM 833 NH2 ARG A 58 -13.570 16.045 -0.197 1.00 0.00 N ATOM 0 H ARG A 58 -13.299 8.645 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.828 9.162 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.073 10.390 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.504 10.987 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.200 10.858 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.576 11.516 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.138 12.781 -1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.049 12.851 -0.349 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.328 13.629 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.460 14.863 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.937 16.547 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.637 15.737 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.773 17.041 -0.288 1.00 0.00 H new ATOM 847 N CYS A 59 -13.730 7.570 -3.117 1.00 0.00 N ATOM 848 CA CYS A 59 -13.719 6.870 -4.388 1.00 0.00 C ATOM 849 C CYS A 59 -14.826 5.819 -4.443 1.00 0.00 C ATOM 850 O CYS A 59 -15.144 5.387 -5.543 1.00 0.00 O ATOM 851 CB CYS A 59 -12.320 6.328 -4.722 1.00 0.00 C ATOM 852 SG CYS A 59 -11.958 4.718 -3.965 1.00 0.00 S ATOM 0 H CYS A 59 -12.979 7.321 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.946 7.582 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.223 6.240 -5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.573 7.050 -4.393 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.142 4.792 -2.680 1.00 0.00 H new ATOM 858 N ALA A 60 -15.404 5.430 -3.296 1.00 0.00 N ATOM 859 CA ALA A 60 -16.367 4.351 -3.139 1.00 0.00 C ATOM 860 C ALA A 60 -15.981 3.151 -4.012 1.00 0.00 C ATOM 861 O ALA A 60 -16.670 2.809 -4.975 1.00 0.00 O ATOM 862 CB ALA A 60 -17.782 4.883 -3.383 1.00 0.00 C ATOM 0 H ALA A 60 -15.195 5.891 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.354 3.976 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.501 4.072 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.003 5.672 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.851 5.284 -4.394 1.00 0.00 H new ATOM 868 N LYS A 61 -14.850 2.533 -3.667 1.00 0.00 N ATOM 869 CA LYS A 61 -14.392 1.257 -4.216 1.00 0.00 C ATOM 870 C LYS A 61 -13.807 0.420 -3.092 1.00 0.00 C ATOM 871 O LYS A 61 -14.109 -0.761 -2.979 1.00 0.00 O ATOM 872 CB LYS A 61 -13.344 1.423 -5.329 1.00 0.00 C ATOM 873 CG LYS A 61 -13.833 2.249 -6.522 1.00 0.00 C ATOM 874 CD LYS A 61 -12.995 2.041 -7.790 1.00 0.00 C ATOM 875 CE LYS A 61 -11.512 2.399 -7.663 1.00 0.00 C ATOM 876 NZ LYS A 61 -11.310 3.854 -7.513 1.00 0.00 N ATOM 0 H LYS A 61 -14.208 2.920 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.255 0.765 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.456 1.897 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.043 0.436 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.870 1.989 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.817 3.305 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.075 0.996 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.428 2.637 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.086 1.882 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.976 2.047 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.315 4.044 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.553 4.332 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.920 4.212 -6.751 1.00 0.00 H new ATOM 890 N LEU A 62 -12.986 1.042 -2.244 1.00 0.00 N ATOM 891 CA LEU A 62 -12.295 0.383 -1.152 1.00 0.00 C ATOM 892 C LEU A 62 -13.158 0.549 0.089 1.00 0.00 C ATOM 893 O LEU A 62 -13.443 1.687 0.467 1.00 0.00 O ATOM 894 CB LEU A 62 -10.934 1.069 -0.952 1.00 0.00 C ATOM 895 CG LEU A 62 -10.025 0.319 0.033 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.505 -0.976 -0.595 1.00 0.00 C ATOM 897 CD2 LEU A 62 -8.822 1.184 0.422 1.00 0.00 C ATOM 0 H LEU A 62 -12.784 2.040 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.129 -0.675 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.429 1.150 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.094 2.084 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.617 0.089 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.863 -1.494 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.347 -1.617 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.934 -0.741 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.190 0.635 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.247 1.431 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.172 2.102 0.894 1.00 0.00 H new ATOM 909 N LYS A 63 -13.575 -0.548 0.718 1.00 0.00 N ATOM 910 CA LYS A 63 -14.473 -0.524 1.869 1.00 0.00 C ATOM 911 C LYS A 63 -13.950 -1.427 2.975 1.00 0.00 C ATOM 912 O LYS A 63 -13.129 -2.331 2.784 1.00 0.00 O ATOM 913 CB LYS A 63 -15.881 -0.979 1.437 1.00 0.00 C ATOM 914 CG LYS A 63 -16.695 0.141 0.777 1.00 0.00 C ATOM 915 CD LYS A 63 -17.087 1.215 1.806 1.00 0.00 C ATOM 916 CE LYS A 63 -18.412 1.867 1.408 1.00 0.00 C ATOM 917 NZ LYS A 63 -19.113 2.423 2.581 1.00 0.00 N ATOM 0 H LYS A 63 -13.295 -1.488 0.439 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.524 0.495 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.790 -1.813 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.421 -1.348 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.113 0.595 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.593 -0.277 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.177 0.766 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.305 1.972 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.226 2.660 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.049 1.131 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.008 2.858 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.312 1.661 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.515 3.143 3.034 1.00 0.00 H new ATOM 931 N VAL A 64 -14.486 -1.202 4.169 1.00 0.00 N ATOM 932 CA VAL A 64 -14.238 -2.047 5.326 1.00 0.00 C ATOM 933 C VAL A 64 -14.784 -3.443 5.002 1.00 0.00 C ATOM 934 O VAL A 64 -15.944 -3.587 4.603 1.00 0.00 O ATOM 935 CB VAL A 64 -14.849 -1.411 6.591 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.495 -2.248 7.824 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.324 0.019 6.824 1.00 0.00 C ATOM 0 H VAL A 64 -15.111 -0.419 4.361 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.174 -2.143 5.541 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.928 -1.377 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.931 -1.790 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.890 -3.257 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.412 -2.293 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.779 0.431 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.241 -0.006 6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.581 0.645 5.969 1.00 0.00 H new ATOM 947 N GLY A 65 -13.921 -4.458 5.097 1.00 0.00 N ATOM 948 CA GLY A 65 -14.220 -5.828 4.739 1.00 0.00 C ATOM 949 C GLY A 65 -13.247 -6.305 3.678 1.00 0.00 C ATOM 950 O GLY A 65 -13.000 -7.512 3.584 1.00 0.00 O ATOM 0 H GLY A 65 -12.967 -4.334 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.154 -6.467 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.242 -5.902 4.368 1.00 0.00 H new ATOM 954 N ASP A 66 -12.674 -5.382 2.897 1.00 0.00 N ATOM 955 CA ASP A 66 -11.946 -5.753 1.706 1.00 0.00 C ATOM 956 C ASP A 66 -10.557 -6.239 2.093 1.00 0.00 C ATOM 957 O ASP A 66 -9.641 -5.482 2.409 1.00 0.00 O ATOM 958 CB ASP A 66 -11.984 -4.689 0.597 1.00 0.00 C ATOM 959 CG ASP A 66 -13.413 -4.377 0.144 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.282 -5.282 0.221 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.697 -3.218 -0.218 1.00 0.00 O ATOM 0 H ASP A 66 -12.707 -4.379 3.078 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.457 -6.590 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.511 -3.775 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.401 -5.035 -0.257 1.00 0.00 H new ATOM 966 N ARG A 67 -10.437 -7.556 2.137 1.00 0.00 N ATOM 967 CA ARG A 67 -9.231 -8.368 2.129 1.00 0.00 C ATOM 968 C ARG A 67 -8.276 -7.879 1.042 1.00 0.00 C ATOM 969 O ARG A 67 -8.713 -7.553 -0.064 1.00 0.00 O ATOM 970 CB ARG A 67 -9.680 -9.822 1.899 1.00 0.00 C ATOM 971 CG ARG A 67 -10.605 -10.295 3.041 1.00 0.00 C ATOM 972 CD ARG A 67 -11.623 -11.328 2.562 1.00 0.00 C ATOM 973 NE ARG A 67 -12.796 -10.703 1.918 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.742 -11.327 1.204 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.598 -12.600 0.850 1.00 0.00 N ATOM 976 NH2 ARG A 67 -14.840 -10.674 0.829 1.00 0.00 N ATOM 0 H ARG A 67 -11.269 -8.144 2.184 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.686 -8.295 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.202 -9.900 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.807 -10.472 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.002 -10.724 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.130 -9.437 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.144 -12.007 1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.954 -11.929 3.409 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.896 -9.694 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.760 -13.113 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.326 -13.064 0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.963 -9.694 1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.558 -11.153 0.285 1.00 0.00 H new ATOM 990 N ILE A 68 -6.989 -7.802 1.374 1.00 0.00 N ATOM 991 CA ILE A 68 -5.940 -7.247 0.519 1.00 0.00 C ATOM 992 C ILE A 68 -4.933 -8.363 0.248 1.00 0.00 C ATOM 993 O ILE A 68 -4.660 -9.202 1.114 1.00 0.00 O ATOM 994 CB ILE A 68 -5.249 -6.021 1.168 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.233 -4.947 1.675 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.316 -5.315 0.160 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.635 -4.087 2.784 1.00 0.00 C ATOM 0 H ILE A 68 -6.636 -8.134 2.272 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.378 -6.887 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.702 -6.434 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.529 -4.308 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.138 -5.431 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.843 -4.458 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.548 -6.012 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.897 -4.976 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.368 -3.347 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.364 -4.720 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.746 -3.579 2.411 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.378 -8.359 -0.965 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.456 -9.360 -1.467 1.00 0.00 C ATOM 1011 C LEU A 69 -2.100 -8.750 -1.782 1.00 0.00 C ATOM 1012 O LEU A 69 -1.078 -9.322 -1.402 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.041 -10.033 -2.718 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.214 -10.949 -2.346 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -6.551 -10.212 -2.232 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -5.381 -12.046 -3.398 1.00 0.00 C ATOM 0 H LEU A 69 -4.571 -7.625 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.313 -10.111 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.377 -9.272 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.266 -10.612 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.965 -11.361 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.336 -10.921 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.479 -9.445 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.792 -9.745 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.217 -12.690 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.577 -11.592 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.468 -12.640 -3.453 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.080 -7.618 -2.487 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.863 -6.960 -2.939 1.00 0.00 C ATOM 1030 C ALA A 70 -1.102 -5.452 -3.020 1.00 0.00 C ATOM 1031 O ALA A 70 -2.248 -4.997 -2.949 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.465 -7.521 -4.314 1.00 0.00 C ATOM 0 H ALA A 70 -2.930 -7.126 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.052 -7.147 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.446 -7.031 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.292 -8.594 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.267 -7.336 -5.028 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.034 -4.684 -3.211 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.057 -3.236 -3.342 1.00 0.00 C ATOM 1040 C VAL A 71 0.913 -2.843 -4.449 1.00 0.00 C ATOM 1041 O VAL A 71 2.075 -3.221 -4.391 1.00 0.00 O ATOM 1042 CB VAL A 71 0.232 -2.592 -1.977 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.656 -2.802 -1.461 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.084 -1.092 -1.998 1.00 0.00 C ATOM 0 H VAL A 71 0.907 -5.071 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.038 -2.864 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.429 -3.111 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.768 -2.313 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.850 -3.869 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.366 -2.373 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.130 -0.661 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.531 -0.601 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.137 -0.945 -2.237 1.00 0.00 H new ATOM 1054 N ASN A 72 0.446 -2.127 -5.476 1.00 0.00 N ATOM 1055 CA ASN A 72 1.240 -1.799 -6.665 1.00 0.00 C ATOM 1056 C ASN A 72 1.900 -3.042 -7.292 1.00 0.00 C ATOM 1057 O ASN A 72 2.985 -2.957 -7.864 1.00 0.00 O ATOM 1058 CB ASN A 72 2.220 -0.637 -6.366 1.00 0.00 C ATOM 1059 CG ASN A 72 1.764 0.615 -7.089 1.00 0.00 C ATOM 1060 OD1 ASN A 72 2.131 0.870 -8.230 1.00 0.00 O ATOM 1061 ND2 ASN A 72 0.890 1.383 -6.465 1.00 0.00 N ATOM 0 H ASN A 72 -0.503 -1.755 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 72 0.565 -1.435 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.264 -0.453 -5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.227 -0.906 -6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.508 2.205 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.597 1.154 -5.515 1.00 0.00 H new ATOM 1068 N GLY A 73 1.248 -4.204 -7.170 1.00 0.00 N ATOM 1069 CA GLY A 73 1.763 -5.476 -7.656 1.00 0.00 C ATOM 1070 C GLY A 73 2.792 -6.132 -6.730 1.00 0.00 C ATOM 1071 O GLY A 73 3.376 -7.142 -7.126 1.00 0.00 O ATOM 0 H GLY A 73 0.334 -4.281 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.928 -6.163 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.218 -5.321 -8.634 1.00 0.00 H new ATOM 1075 N GLN A 74 3.042 -5.602 -5.526 1.00 0.00 N ATOM 1076 CA GLN A 74 3.970 -6.199 -4.573 1.00 0.00 C ATOM 1077 C GLN A 74 3.199 -6.931 -3.491 1.00 0.00 C ATOM 1078 O GLN A 74 2.241 -6.390 -2.932 1.00 0.00 O ATOM 1079 CB GLN A 74 4.879 -5.138 -3.943 1.00 0.00 C ATOM 1080 CG GLN A 74 6.071 -4.765 -4.832 1.00 0.00 C ATOM 1081 CD GLN A 74 7.169 -5.834 -4.796 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.966 -6.984 -5.181 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.341 -5.494 -4.286 1.00 0.00 N ATOM 0 H GLN A 74 2.602 -4.745 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 74 4.601 -6.907 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.293 -4.242 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.248 -5.506 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.730 -4.630 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.483 -3.810 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.501 -4.538 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.085 -6.188 -4.210 1.00 0.00 H new ATOM 1092 N SER A 75 3.648 -8.138 -3.158 1.00 0.00 N ATOM 1093 CA SER A 75 3.177 -8.865 -1.994 1.00 0.00 C ATOM 1094 C SER A 75 3.331 -8.011 -0.739 1.00 0.00 C ATOM 1095 O SER A 75 4.407 -7.487 -0.452 1.00 0.00 O ATOM 1096 CB SER A 75 3.928 -10.196 -1.845 1.00 0.00 C ATOM 1097 OG SER A 75 5.199 -10.196 -2.475 1.00 0.00 O ATOM 0 H SER A 75 4.355 -8.639 -3.696 1.00 0.00 H new ATOM 0 HA SER A 75 2.119 -9.089 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.055 -10.417 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.321 -10.997 -2.267 1.00 0.00 H new ATOM 0 HG SER A 75 5.629 -11.067 -2.345 1.00 0.00 H new ATOM 1103 N ILE A 76 2.249 -7.905 0.020 1.00 0.00 N ATOM 1104 CA ILE A 76 2.243 -7.416 1.396 1.00 0.00 C ATOM 1105 C ILE A 76 2.416 -8.585 2.379 1.00 0.00 C ATOM 1106 O ILE A 76 2.770 -8.379 3.537 1.00 0.00 O ATOM 1107 CB ILE A 76 0.945 -6.616 1.657 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.290 -7.478 1.292 1.00 0.00 C ATOM 1109 CG2 ILE A 76 0.936 -5.327 0.817 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.673 -6.888 1.527 1.00 0.00 C ATOM 0 H ILE A 76 1.321 -8.165 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 76 3.085 -6.742 1.552 1.00 0.00 H new ATOM 0 HB ILE A 76 0.905 -6.354 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.214 -7.739 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.225 -8.409 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.017 -4.773 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.794 -4.711 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.990 -5.582 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.432 -7.609 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.795 -6.656 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.784 -5.976 0.941 1.00 0.00 H new ATOM 1122 N ILE A 77 2.182 -9.825 1.937 1.00 0.00 N ATOM 1123 CA ILE A 77 2.340 -11.010 2.770 1.00 0.00 C ATOM 1124 C ILE A 77 3.832 -11.179 3.064 1.00 0.00 C ATOM 1125 O ILE A 77 4.648 -11.049 2.150 1.00 0.00 O ATOM 1126 CB ILE A 77 1.710 -12.241 2.091 1.00 0.00 C ATOM 1127 CG1 ILE A 77 0.207 -11.956 1.867 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.894 -13.489 2.978 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.528 -13.030 1.079 1.00 0.00 C ATOM 0 H ILE A 77 1.876 -10.030 0.986 1.00 0.00 H new ATOM 0 HA ILE A 77 1.812 -10.899 3.717 1.00 0.00 H new ATOM 0 HB ILE A 77 2.197 -12.432 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.276 -11.840 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.104 -11.005 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.445 -14.353 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.957 -13.672 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.410 -13.326 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.575 -12.748 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.075 -13.132 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.461 -13.980 1.609 1.00 0.00 H new ATOM 1141 N ASN A 78 4.154 -11.486 4.323 1.00 0.00 N ATOM 1142 CA ASN A 78 5.460 -11.741 4.938 1.00 0.00 C ATOM 1143 C ASN A 78 6.193 -10.461 5.323 1.00 0.00 C ATOM 1144 O ASN A 78 6.935 -10.486 6.304 1.00 0.00 O ATOM 1145 CB ASN A 78 6.406 -12.647 4.119 1.00 0.00 C ATOM 1146 CG ASN A 78 6.048 -14.120 4.164 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.746 -14.647 5.230 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.110 -14.810 3.036 1.00 0.00 N ATOM 0 H ASN A 78 3.415 -11.572 5.021 1.00 0.00 H new ATOM 0 HA ASN A 78 5.198 -12.294 5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.401 -12.315 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.423 -12.520 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.904 -15.809 3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.364 -14.343 2.166 1.00 0.00 H new ATOM 1155 N MET A 79 6.001 -9.357 4.601 1.00 0.00 N ATOM 1156 CA MET A 79 6.659 -8.092 4.912 1.00 0.00 C ATOM 1157 C MET A 79 6.197 -7.540 6.274 1.00 0.00 C ATOM 1158 O MET A 79 5.075 -7.832 6.705 1.00 0.00 O ATOM 1159 CB MET A 79 6.384 -7.089 3.780 1.00 0.00 C ATOM 1160 CG MET A 79 7.528 -7.100 2.773 1.00 0.00 C ATOM 1161 SD MET A 79 7.129 -6.553 1.094 1.00 0.00 S ATOM 1162 CE MET A 79 7.422 -4.783 1.275 1.00 0.00 C ATOM 0 H MET A 79 5.387 -9.316 3.788 1.00 0.00 H new ATOM 0 HA MET A 79 7.734 -8.258 4.988 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.449 -7.342 3.281 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.264 -6.088 4.193 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.327 -6.467 3.158 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.924 -8.114 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.644 -4.349 0.300 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.533 -4.308 1.690 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.266 -4.621 1.945 1.00 0.00 H new ATOM 1172 N PRO A 80 7.026 -6.725 6.954 1.00 0.00 N ATOM 1173 CA PRO A 80 6.626 -6.048 8.178 1.00 0.00 C ATOM 1174 C PRO A 80 5.730 -4.849 7.844 1.00 0.00 C ATOM 1175 O PRO A 80 5.898 -4.216 6.797 1.00 0.00 O ATOM 1176 CB PRO A 80 7.939 -5.595 8.818 1.00 0.00 C ATOM 1177 CG PRO A 80 8.847 -5.325 7.620 1.00 0.00 C ATOM 1178 CD PRO A 80 8.391 -6.361 6.589 1.00 0.00 C ATOM 0 HA PRO A 80 6.052 -6.688 8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.801 -4.701 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.353 -6.364 9.470 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.728 -4.308 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.899 -5.450 7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.428 -5.949 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.043 -7.234 6.600 1.00 0.00 H new ATOM 1186 N HIS A 81 4.843 -4.487 8.779 1.00 0.00 N ATOM 1187 CA HIS A 81 3.865 -3.415 8.599 1.00 0.00 C ATOM 1188 C HIS A 81 4.529 -2.117 8.132 1.00 0.00 C ATOM 1189 O HIS A 81 4.009 -1.475 7.231 1.00 0.00 O ATOM 1190 CB HIS A 81 3.060 -3.205 9.892 1.00 0.00 C ATOM 1191 CG HIS A 81 1.896 -2.248 9.762 1.00 0.00 C ATOM 1192 ND1 HIS A 81 0.725 -2.497 9.084 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.777 -1.006 10.328 1.00 0.00 C ATOM 1194 CE1 HIS A 81 -0.090 -1.448 9.255 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.505 -0.508 10.013 1.00 0.00 N ATOM 0 H HIS A 81 4.786 -4.938 9.692 1.00 0.00 H new ATOM 0 HA HIS A 81 3.173 -3.715 7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.683 -4.170 10.230 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.732 -2.836 10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.530 -0.500 10.914 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.085 -1.368 8.843 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.110 0.387 10.301 1.00 0.00 H new ATOM 1203 N ALA A 82 5.682 -1.748 8.701 1.00 0.00 N ATOM 1204 CA ALA A 82 6.423 -0.548 8.326 1.00 0.00 C ATOM 1205 C ALA A 82 6.765 -0.503 6.840 1.00 0.00 C ATOM 1206 O ALA A 82 6.652 0.568 6.247 1.00 0.00 O ATOM 1207 CB ALA A 82 7.713 -0.446 9.148 1.00 0.00 C ATOM 0 H ALA A 82 6.129 -2.285 9.444 1.00 0.00 H new ATOM 0 HA ALA A 82 5.772 0.300 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.258 0.453 8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.466 -0.396 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.334 -1.322 8.961 1.00 0.00 H new ATOM 1213 N ASP A 83 7.184 -1.622 6.239 1.00 0.00 N ATOM 1214 CA ASP A 83 7.643 -1.595 4.851 1.00 0.00 C ATOM 1215 C ASP A 83 6.461 -1.594 3.886 1.00 0.00 C ATOM 1216 O ASP A 83 6.524 -0.972 2.833 1.00 0.00 O ATOM 1217 CB ASP A 83 8.643 -2.715 4.546 1.00 0.00 C ATOM 1218 CG ASP A 83 9.646 -2.236 3.494 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.447 -1.320 3.800 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.663 -2.773 2.363 1.00 0.00 O ATOM 0 H ASP A 83 7.214 -2.540 6.683 1.00 0.00 H new ATOM 0 HA ASP A 83 8.186 -0.662 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.167 -3.006 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.116 -3.598 4.185 1.00 0.00 H new ATOM 1225 N ILE A 84 5.343 -2.211 4.274 1.00 0.00 N ATOM 1226 CA ILE A 84 4.070 -2.152 3.551 1.00 0.00 C ATOM 1227 C ILE A 84 3.499 -0.724 3.664 1.00 0.00 C ATOM 1228 O ILE A 84 3.024 -0.153 2.681 1.00 0.00 O ATOM 1229 CB ILE A 84 3.134 -3.219 4.161 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.662 -4.640 3.843 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.674 -3.106 3.678 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.352 -5.601 4.985 1.00 0.00 C ATOM 0 H ILE A 84 5.296 -2.779 5.120 1.00 0.00 H new ATOM 0 HA ILE A 84 4.189 -2.367 2.489 1.00 0.00 H new ATOM 0 HB ILE A 84 3.134 -3.038 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.207 -5.004 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.738 -4.604 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.074 -3.886 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.275 -2.129 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.639 -3.223 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.732 -6.593 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.828 -5.246 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.274 -5.653 5.134 1.00 0.00 H new ATOM 1244 N VAL A 85 3.569 -0.100 4.844 1.00 0.00 N ATOM 1245 CA VAL A 85 3.257 1.309 5.061 1.00 0.00 C ATOM 1246 C VAL A 85 4.094 2.154 4.106 1.00 0.00 C ATOM 1247 O VAL A 85 3.546 3.051 3.443 1.00 0.00 O ATOM 1248 CB VAL A 85 3.433 1.639 6.556 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.791 3.097 6.881 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.180 1.219 7.336 1.00 0.00 C ATOM 0 H VAL A 85 3.853 -0.580 5.698 1.00 0.00 H new ATOM 0 HA VAL A 85 2.218 1.543 4.830 1.00 0.00 H new ATOM 0 HB VAL A 85 4.304 1.063 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.890 3.215 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.734 3.356 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.003 3.755 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.312 1.456 8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.314 1.756 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.023 0.147 7.221 1.00 0.00 H new ATOM 1260 N LYS A 86 5.394 1.856 4.011 1.00 0.00 N ATOM 1261 CA LYS A 86 6.281 2.504 3.072 1.00 0.00 C ATOM 1262 C LYS A 86 5.867 2.252 1.638 1.00 0.00 C ATOM 1263 O LYS A 86 5.819 3.219 0.897 1.00 0.00 O ATOM 1264 CB LYS A 86 7.740 2.090 3.325 1.00 0.00 C ATOM 1265 CG LYS A 86 8.587 3.330 3.616 1.00 0.00 C ATOM 1266 CD LYS A 86 8.277 3.900 5.013 1.00 0.00 C ATOM 1267 CE LYS A 86 8.823 5.329 5.063 1.00 0.00 C ATOM 1268 NZ LYS A 86 8.590 6.005 6.359 1.00 0.00 N ATOM 0 H LYS A 86 5.851 1.153 4.592 1.00 0.00 H new ATOM 0 HA LYS A 86 6.206 3.579 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.791 1.398 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.135 1.565 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.645 3.075 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.395 4.091 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.203 3.894 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.738 3.287 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.894 5.308 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.360 5.914 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.984 6.967 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.568 6.056 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.054 5.468 7.119 1.00 0.00 H new ATOM 1282 N LEU A 87 5.492 1.041 1.233 1.00 0.00 N ATOM 1283 CA LEU A 87 5.137 0.714 -0.129 1.00 0.00 C ATOM 1284 C LEU A 87 3.945 1.556 -0.591 1.00 0.00 C ATOM 1285 O LEU A 87 3.920 2.011 -1.733 1.00 0.00 O ATOM 1286 CB LEU A 87 4.786 -0.781 -0.128 1.00 0.00 C ATOM 1287 CG LEU A 87 5.890 -1.823 -0.402 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.561 -2.636 -1.655 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.316 -1.292 -0.552 1.00 0.00 C ATOM 0 H LEU A 87 5.428 0.245 1.867 1.00 0.00 H new ATOM 0 HA LEU A 87 5.955 0.926 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.352 -1.014 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.003 -0.933 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 87 5.888 -2.426 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.351 -3.366 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.613 -3.154 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.485 -1.968 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.996 -2.123 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.358 -0.592 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.613 -0.782 0.365 1.00 0.00 H new ATOM 1301 N ILE A 88 2.972 1.813 0.289 1.00 0.00 N ATOM 1302 CA ILE A 88 1.822 2.648 -0.021 1.00 0.00 C ATOM 1303 C ILE A 88 2.286 4.098 -0.160 1.00 0.00 C ATOM 1304 O ILE A 88 1.902 4.776 -1.115 1.00 0.00 O ATOM 1305 CB ILE A 88 0.784 2.506 1.096 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.249 1.061 1.257 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.405 3.450 0.881 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.304 0.778 2.658 1.00 0.00 C ATOM 0 H ILE A 88 2.966 1.443 1.239 1.00 0.00 H new ATOM 0 HA ILE A 88 1.363 2.337 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 88 1.313 2.774 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.536 0.886 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.052 0.356 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.122 3.323 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.053 4.481 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.887 3.218 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.663 -0.250 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.485 0.922 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.128 1.460 2.869 1.00 0.00 H new ATOM 1320 N LYS A 89 3.057 4.597 0.822 1.00 0.00 N ATOM 1321 CA LYS A 89 3.599 5.944 0.811 1.00 0.00 C ATOM 1322 C LYS A 89 4.376 6.190 -0.480 1.00 0.00 C ATOM 1323 O LYS A 89 4.114 7.183 -1.153 1.00 0.00 O ATOM 1324 CB LYS A 89 4.441 6.118 2.089 1.00 0.00 C ATOM 1325 CG LYS A 89 5.032 7.517 2.143 1.00 0.00 C ATOM 1326 CD LYS A 89 5.520 7.921 3.543 1.00 0.00 C ATOM 1327 CE LYS A 89 6.473 9.125 3.508 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.906 10.334 2.877 1.00 0.00 N ATOM 0 H LYS A 89 3.317 4.061 1.650 1.00 0.00 H new ATOM 0 HA LYS A 89 2.812 6.698 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.821 5.943 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.240 5.377 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.866 7.578 1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.282 8.233 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.660 8.160 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.026 7.074 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.770 9.368 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.378 8.841 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.611 11.098 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.648 10.123 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.059 10.634 3.400 1.00 0.00 H new ATOM 1342 N ASP A 90 5.262 5.266 -0.821 1.00 0.00 N ATOM 1343 CA ASP A 90 6.155 5.282 -1.962 1.00 0.00 C ATOM 1344 C ASP A 90 5.407 5.203 -3.283 1.00 0.00 C ATOM 1345 O ASP A 90 5.985 5.573 -4.299 1.00 0.00 O ATOM 1346 CB ASP A 90 7.149 4.119 -1.852 1.00 0.00 C ATOM 1347 CG ASP A 90 8.401 4.362 -2.689 1.00 0.00 C ATOM 1348 OD1 ASP A 90 9.170 5.269 -2.313 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.684 3.593 -3.643 1.00 0.00 O ATOM 0 H ASP A 90 5.382 4.422 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 90 6.688 6.233 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.431 3.980 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.667 3.197 -2.178 1.00 0.00 H new ATOM 1354 N ALA A 91 4.135 4.783 -3.294 1.00 0.00 N ATOM 1355 CA ALA A 91 3.367 4.758 -4.535 1.00 0.00 C ATOM 1356 C ALA A 91 3.078 6.173 -5.093 1.00 0.00 C ATOM 1357 O ALA A 91 2.630 6.292 -6.234 1.00 0.00 O ATOM 1358 CB ALA A 91 2.116 3.894 -4.348 1.00 0.00 C ATOM 0 H ALA A 91 3.627 4.462 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 91 3.973 4.292 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.544 3.877 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.411 2.878 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.501 4.311 -3.550 1.00 0.00 H new ATOM 1364 N GLY A 92 3.361 7.244 -4.339 1.00 0.00 N ATOM 1365 CA GLY A 92 3.379 8.623 -4.813 1.00 0.00 C ATOM 1366 C GLY A 92 2.127 9.389 -4.407 1.00 0.00 C ATOM 1367 O GLY A 92 2.105 10.027 -3.353 1.00 0.00 O ATOM 0 H GLY A 92 3.591 7.165 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.258 9.130 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.471 8.631 -5.899 1.00 0.00 H new ATOM 1371 N LEU A 93 1.094 9.335 -5.248 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.263 9.883 -5.013 1.00 0.00 C ATOM 1373 C LEU A 93 -1.303 8.861 -5.359 1.00 0.00 C ATOM 1374 O LEU A 93 -2.395 8.858 -4.809 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.607 11.089 -5.909 1.00 0.00 C ATOM 1376 CG LEU A 93 0.267 12.278 -5.583 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.173 13.378 -6.642 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.048 12.881 -4.219 1.00 0.00 C ATOM 0 H LEU A 93 1.174 8.887 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.261 10.174 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.478 10.816 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.655 11.357 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 93 1.283 11.884 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.819 14.210 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.490 12.982 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.857 13.727 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.609 13.731 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.086 13.214 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.107 12.130 -3.445 1.00 0.00 H new ATOM 1390 N SER A 94 -0.932 7.992 -6.268 1.00 0.00 N ATOM 1391 CA SER A 94 -1.721 6.855 -6.662 1.00 0.00 C ATOM 1392 C SER A 94 -1.251 5.701 -5.777 1.00 0.00 C ATOM 1393 O SER A 94 -0.126 5.701 -5.270 1.00 0.00 O ATOM 1394 CB SER A 94 -1.486 6.609 -8.164 1.00 0.00 C ATOM 1395 OG SER A 94 -0.185 7.022 -8.581 1.00 0.00 O ATOM 0 H SER A 94 -0.045 8.061 -6.768 1.00 0.00 H new ATOM 0 HA SER A 94 -2.795 6.988 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.616 5.549 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.238 7.147 -8.741 1.00 0.00 H new ATOM 0 HG SER A 94 -0.078 6.847 -9.539 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.117 4.735 -5.511 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.750 3.423 -5.043 1.00 0.00 C ATOM 1403 C VAL A 95 -2.839 2.496 -5.565 1.00 0.00 C ATOM 1404 O VAL A 95 -3.996 2.917 -5.657 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.602 3.422 -3.510 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -2.910 3.638 -2.738 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -0.974 2.101 -3.082 1.00 0.00 C ATOM 0 H VAL A 95 -3.124 4.854 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.779 3.088 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.971 4.275 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.707 3.622 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.339 4.602 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.614 2.844 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.863 2.085 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.615 1.276 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.005 1.996 -3.549 1.00 0.00 H new ATOM 1417 N THR A 96 -2.481 1.255 -5.885 1.00 0.00 N ATOM 1418 CA THR A 96 -3.378 0.292 -6.485 1.00 0.00 C ATOM 1419 C THR A 96 -3.364 -0.975 -5.624 1.00 0.00 C ATOM 1420 O THR A 96 -2.379 -1.720 -5.628 1.00 0.00 O ATOM 1421 CB THR A 96 -2.950 0.090 -7.945 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.786 1.330 -8.610 1.00 0.00 O ATOM 1423 CG2 THR A 96 -4.044 -0.666 -8.681 1.00 0.00 C ATOM 0 H THR A 96 -1.541 0.892 -5.729 1.00 0.00 H new ATOM 0 HA THR A 96 -4.415 0.626 -6.514 1.00 0.00 H new ATOM 0 HB THR A 96 -2.006 -0.455 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.512 1.170 -9.537 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.748 -0.814 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.199 -1.635 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.970 -0.092 -8.646 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.406 -1.179 -4.815 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.524 -2.291 -3.870 1.00 0.00 C ATOM 1433 C LEU A 97 -5.216 -3.450 -4.574 1.00 0.00 C ATOM 1434 O LEU A 97 -6.329 -3.277 -5.064 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.370 -1.867 -2.658 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.648 -0.849 -1.758 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.671 -0.023 -0.979 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.691 -1.543 -0.779 1.00 0.00 C ATOM 0 H LEU A 97 -5.214 -0.557 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.532 -2.585 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.308 -1.436 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.624 -2.749 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.060 -0.194 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.152 0.695 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.316 0.510 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.276 -0.684 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.198 -0.794 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.254 -2.227 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.941 -2.102 -1.338 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.579 -4.622 -4.622 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.199 -5.800 -5.218 1.00 0.00 C ATOM 1452 C ARG A 98 -6.093 -6.482 -4.189 1.00 0.00 C ATOM 1453 O ARG A 98 -5.639 -6.771 -3.075 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.143 -6.751 -5.789 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.797 -7.962 -6.468 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.769 -8.849 -7.174 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.435 -8.344 -8.516 1.00 0.00 N ATOM 1458 CZ ARG A 98 -3.277 -9.084 -9.621 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -3.415 -10.405 -9.601 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.971 -8.514 -10.776 1.00 0.00 N ATOM 0 H ARG A 98 -3.639 -4.777 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.822 -5.492 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.521 -6.219 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.485 -7.090 -4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.332 -8.550 -5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.535 -7.617 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.863 -8.904 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.160 -9.863 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.312 -7.336 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.647 -10.880 -8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.289 -10.944 -10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.853 -7.502 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.853 -9.087 -11.612 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.324 -6.801 -4.582 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.339 -7.453 -3.758 1.00 0.00 C ATOM 1476 C ILE A 99 -8.890 -8.700 -4.466 1.00 0.00 C ATOM 1477 O ILE A 99 -8.718 -8.845 -5.673 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.407 -6.432 -3.340 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.302 -5.973 -4.511 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.793 -5.208 -2.628 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.757 -6.113 -4.087 1.00 0.00 C ATOM 0 H ILE A 99 -7.656 -6.603 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.897 -7.821 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.045 -6.961 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.081 -4.938 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -10.106 -6.576 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.586 -4.513 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.267 -5.535 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.092 -4.711 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.406 -5.793 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.967 -7.155 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.942 -5.492 -3.211 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.496 -9.622 -3.705 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.163 -10.836 -4.220 1.00 0.00 C ATOM 1495 C ILE A 100 -11.447 -10.473 -4.981 1.00 0.00 C ATOM 1496 O ILE A 100 -11.610 -10.920 -6.117 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.389 -11.890 -3.083 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -9.113 -12.714 -2.965 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.567 -12.863 -3.306 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.964 -13.532 -1.678 1.00 0.00 C ATOM 0 H ILE A 100 -9.540 -9.547 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.503 -11.317 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.637 -11.325 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.063 -13.396 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.259 -12.041 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.636 -13.550 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.495 -12.298 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.403 -13.429 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.021 -14.078 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.974 -12.862 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.791 -14.238 -1.598 1.00 0.00 H new