USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 32 TYR OH : rot -45:sc= 0.107 USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -113:sc= -0.318 (180deg=-3.36!) USER MOD Single : A 17 ASN : amide:sc=-0.00276 K(o=-0.0028,f=-0.63) USER MOD Single : A 18 MET CE :methyl -178:sc= -0.11 (180deg=-0.129) USER MOD Single : A 20 ASN : amide:sc= -0.878 K(o=-0.88,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= -0.193 (180deg=-0.774) USER MOD Single : A 59 SER OG : rot 9:sc= 0.184 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -2.45 X(o=-2.5,f=-2.5!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 70 TYR OH : rot 24:sc= 1.3 USER MOD Single : A 72 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.45) USER MOD Single : A 78 SER OG : rot -80:sc= 1.3 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.929 USER MOD Single : A 89 SER OG : rot -19:sc= -1.42 USER MOD Single : A 90 THR OG1 : rot 51:sc= 1.07 USER MOD Single : A 96 GLN : amide:sc= 0.61 K(o=0.61,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.434 -12.366 7.446 1.00 0.00 N ATOM 105 CA LEU A 11 -2.952 -11.193 6.751 1.00 0.00 C ATOM 106 C LEU A 11 -4.433 -11.360 6.429 1.00 0.00 C ATOM 107 O LEU A 11 -5.228 -10.442 6.626 1.00 0.00 O ATOM 108 CB LEU A 11 -2.162 -10.948 5.464 1.00 0.00 C ATOM 109 CG LEU A 11 -2.310 -9.560 4.839 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.716 -8.499 5.751 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.649 -9.519 3.469 1.00 0.00 C ATOM 0 HA LEU A 11 -2.838 -10.332 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.106 -11.120 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.467 -11.691 4.727 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.372 -9.350 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.830 -7.518 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.234 -8.512 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.657 -8.705 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.764 -8.524 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.589 -9.750 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.120 -10.253 2.816 1.00 0.00 H new ATOM 123 N GLU A 12 -4.796 -12.540 5.934 1.00 0.00 N ATOM 124 CA GLU A 12 -6.183 -12.827 5.586 1.00 0.00 C ATOM 125 C GLU A 12 -7.102 -12.600 6.783 1.00 0.00 C ATOM 126 O GLU A 12 -8.214 -12.091 6.639 1.00 0.00 O ATOM 127 CB GLU A 12 -6.319 -14.269 5.091 1.00 0.00 C ATOM 128 CG GLU A 12 -6.131 -14.417 3.591 1.00 0.00 C ATOM 129 CD GLU A 12 -7.393 -14.106 2.811 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.890 -12.965 2.916 1.00 0.00 O ATOM 131 OE2 GLU A 12 -7.884 -15.004 2.095 1.00 0.00 O ATOM 0 H GLU A 12 -4.150 -13.311 5.765 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.480 -12.146 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.585 -14.891 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.304 -14.647 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.332 -13.753 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.812 -15.435 3.367 1.00 0.00 H new ATOM 138 N LYS A 13 -6.630 -12.982 7.965 1.00 0.00 N ATOM 139 CA LYS A 13 -7.408 -12.820 9.188 1.00 0.00 C ATOM 140 C LYS A 13 -7.664 -11.345 9.479 1.00 0.00 C ATOM 141 O LYS A 13 -8.812 -10.898 9.510 1.00 0.00 O ATOM 142 CB LYS A 13 -6.678 -13.464 10.369 1.00 0.00 C ATOM 143 CG LYS A 13 -6.822 -14.976 10.421 1.00 0.00 C ATOM 144 CD LYS A 13 -5.638 -15.624 11.119 1.00 0.00 C ATOM 145 CE LYS A 13 -5.663 -15.364 12.618 1.00 0.00 C ATOM 146 NZ LYS A 13 -6.487 -16.371 13.342 1.00 0.00 N ATOM 0 H LYS A 13 -5.712 -13.406 8.102 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.368 -13.316 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.620 -13.210 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.060 -13.039 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.742 -15.237 10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.909 -15.369 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.649 -16.698 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.710 -15.238 10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.645 -15.381 13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.060 -14.367 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.479 -16.159 14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.465 -16.338 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.094 -17.321 13.183 1.00 0.00 H new ATOM 160 N LEU A 14 -6.590 -10.593 9.689 1.00 0.00 N ATOM 161 CA LEU A 14 -6.698 -9.166 9.975 1.00 0.00 C ATOM 162 C LEU A 14 -7.489 -8.451 8.885 1.00 0.00 C ATOM 163 O LEU A 14 -8.491 -7.792 9.163 1.00 0.00 O ATOM 164 CB LEU A 14 -5.306 -8.544 10.103 1.00 0.00 C ATOM 165 CG LEU A 14 -5.263 -7.081 10.544 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.197 -6.982 12.060 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.079 -6.367 9.909 1.00 0.00 C ATOM 0 H LEU A 14 -5.634 -10.947 9.667 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.229 -9.049 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.730 -9.135 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.803 -8.627 9.140 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.178 -6.593 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.167 -5.933 12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.077 -7.456 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.299 -7.486 12.419 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.064 -5.327 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.153 -6.856 10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.170 -6.407 8.824 1.00 0.00 H new ATOM 179 N MET A 15 -7.033 -8.586 7.644 1.00 0.00 N ATOM 180 CA MET A 15 -7.701 -7.955 6.512 1.00 0.00 C ATOM 181 C MET A 15 -9.168 -8.369 6.446 1.00 0.00 C ATOM 182 O MET A 15 -10.029 -7.575 6.069 1.00 0.00 O ATOM 183 CB MET A 15 -6.995 -8.325 5.206 1.00 0.00 C ATOM 184 CG MET A 15 -5.651 -7.639 5.025 1.00 0.00 C ATOM 185 SD MET A 15 -5.778 -5.841 5.070 1.00 0.00 S ATOM 186 CE MET A 15 -4.449 -5.436 6.201 1.00 0.00 C ATOM 0 H MET A 15 -6.204 -9.126 7.397 1.00 0.00 H new ATOM 0 HA MET A 15 -7.653 -6.875 6.650 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.849 -9.405 5.175 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.641 -8.066 4.367 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.969 -7.971 5.808 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.216 -7.945 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.866 -5.024 7.120 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.881 -6.337 6.432 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.790 -4.700 5.740 1.00 0.00 H new ATOM 196 N GLU A 16 -9.443 -9.616 6.815 1.00 0.00 N ATOM 197 CA GLU A 16 -10.807 -10.133 6.796 1.00 0.00 C ATOM 198 C GLU A 16 -11.696 -9.360 7.766 1.00 0.00 C ATOM 199 O GLU A 16 -12.853 -9.070 7.466 1.00 0.00 O ATOM 200 CB GLU A 16 -10.816 -11.621 7.154 1.00 0.00 C ATOM 201 CG GLU A 16 -12.195 -12.154 7.503 1.00 0.00 C ATOM 202 CD GLU A 16 -12.142 -13.508 8.184 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.627 -13.580 9.320 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.615 -14.495 7.582 1.00 0.00 O ATOM 0 H GLU A 16 -8.741 -10.286 7.130 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.203 -10.006 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.417 -12.191 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.147 -11.787 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.701 -11.443 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.791 -12.232 6.594 1.00 0.00 H new ATOM 211 N ASN A 17 -11.145 -9.030 8.930 1.00 0.00 N ATOM 212 CA ASN A 17 -11.888 -8.292 9.945 1.00 0.00 C ATOM 213 C ASN A 17 -12.088 -6.839 9.523 1.00 0.00 C ATOM 214 O ASN A 17 -13.174 -6.282 9.676 1.00 0.00 O ATOM 215 CB ASN A 17 -11.154 -8.349 11.286 1.00 0.00 C ATOM 216 CG ASN A 17 -11.234 -9.719 11.931 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.275 -10.375 11.893 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.132 -10.158 12.527 1.00 0.00 N ATOM 0 H ASN A 17 -10.187 -9.262 9.193 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.867 -8.758 10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.108 -8.081 11.136 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.579 -7.607 11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.126 -11.073 12.978 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.291 -9.580 12.534 1.00 0.00 H new ATOM 225 N MET A 18 -11.032 -6.233 8.991 1.00 0.00 N ATOM 226 CA MET A 18 -11.092 -4.845 8.546 1.00 0.00 C ATOM 227 C MET A 18 -12.040 -4.695 7.361 1.00 0.00 C ATOM 228 O MET A 18 -12.969 -3.888 7.395 1.00 0.00 O ATOM 229 CB MET A 18 -9.696 -4.349 8.163 1.00 0.00 C ATOM 230 CG MET A 18 -9.673 -2.905 7.690 1.00 0.00 C ATOM 231 SD MET A 18 -8.056 -2.402 7.070 1.00 0.00 S ATOM 232 CE MET A 18 -8.051 -3.189 5.461 1.00 0.00 C ATOM 0 H MET A 18 -10.125 -6.680 8.857 1.00 0.00 H new ATOM 0 HA MET A 18 -11.471 -4.241 9.371 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.034 -4.452 9.023 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.296 -4.987 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.416 -2.773 6.904 1.00 0.00 H new ATOM 0 HG3 MET A 18 -9.961 -2.252 8.514 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.098 -3.000 4.966 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.191 -4.263 5.581 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.861 -2.783 4.855 1.00 0.00 H new ATOM 242 N ARG A 19 -11.800 -5.478 6.313 1.00 0.00 N ATOM 243 CA ARG A 19 -12.632 -5.430 5.117 1.00 0.00 C ATOM 244 C ARG A 19 -14.113 -5.412 5.486 1.00 0.00 C ATOM 245 O ARG A 19 -14.934 -4.840 4.770 1.00 0.00 O ATOM 246 CB ARG A 19 -12.335 -6.629 4.215 1.00 0.00 C ATOM 247 CG ARG A 19 -11.016 -6.518 3.469 1.00 0.00 C ATOM 248 CD ARG A 19 -10.765 -7.737 2.596 1.00 0.00 C ATOM 249 NE ARG A 19 -10.248 -8.865 3.366 1.00 0.00 N ATOM 250 CZ ARG A 19 -10.070 -10.081 2.861 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.365 -10.324 1.591 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.596 -11.056 3.625 1.00 0.00 N ATOM 0 H ARG A 19 -11.036 -6.153 6.269 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.398 -4.512 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.325 -7.535 4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.143 -6.738 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.021 -5.621 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.201 -6.407 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.693 -8.029 2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.056 -7.480 1.809 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.010 -8.711 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.729 -9.577 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.228 -11.258 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.367 -10.873 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.460 -11.989 3.236 1.00 0.00 H new ATOM 266 N ASN A 20 -14.446 -6.043 6.607 1.00 0.00 N ATOM 267 CA ASN A 20 -15.828 -6.100 7.070 1.00 0.00 C ATOM 268 C ASN A 20 -16.328 -4.713 7.462 1.00 0.00 C ATOM 269 O ASN A 20 -17.152 -4.119 6.766 1.00 0.00 O ATOM 270 CB ASN A 20 -15.950 -7.054 8.260 1.00 0.00 C ATOM 271 CG ASN A 20 -15.676 -8.495 7.877 1.00 0.00 C ATOM 272 OD1 ASN A 20 -15.896 -8.898 6.735 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.192 -9.280 8.833 1.00 0.00 N ATOM 0 H ASN A 20 -13.778 -6.522 7.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.445 -6.471 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.252 -6.749 9.039 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.952 -6.977 8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.987 -10.259 8.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.025 -8.904 9.766 1.00 0.00 H new ATOM 280 N ASP A 21 -15.825 -4.203 8.580 1.00 0.00 N ATOM 281 CA ASP A 21 -16.219 -2.885 9.065 1.00 0.00 C ATOM 282 C ASP A 21 -15.898 -1.809 8.032 1.00 0.00 C ATOM 283 O ASP A 21 -16.502 -0.736 8.032 1.00 0.00 O ATOM 284 CB ASP A 21 -15.512 -2.571 10.384 1.00 0.00 C ATOM 285 CG ASP A 21 -16.342 -1.682 11.288 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.552 -1.954 11.439 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.783 -0.715 11.846 1.00 0.00 O ATOM 0 H ASP A 21 -15.143 -4.682 9.168 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.296 -2.893 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.287 -3.503 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.559 -2.084 10.175 1.00 0.00 H new ATOM 292 N ILE A 22 -14.944 -2.102 7.155 1.00 0.00 N ATOM 293 CA ILE A 22 -14.544 -1.159 6.118 1.00 0.00 C ATOM 294 C ILE A 22 -15.514 -1.192 4.942 1.00 0.00 C ATOM 295 O ILE A 22 -15.806 -0.161 4.336 1.00 0.00 O ATOM 296 CB ILE A 22 -13.122 -1.457 5.605 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.085 -0.724 6.459 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.992 -1.056 4.144 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.121 0.779 6.295 1.00 0.00 C ATOM 0 H ILE A 22 -14.434 -2.985 7.142 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.558 -0.167 6.570 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.939 -2.529 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.250 -0.971 7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.090 -1.086 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.982 -1.272 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.710 -1.618 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.191 0.011 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.360 1.233 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.926 1.036 5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.103 1.153 6.583 1.00 0.00 H new ATOM 311 N ALA A 23 -16.011 -2.383 4.625 1.00 0.00 N ATOM 312 CA ALA A 23 -16.951 -2.550 3.524 1.00 0.00 C ATOM 313 C ALA A 23 -18.372 -2.208 3.959 1.00 0.00 C ATOM 314 O ALA A 23 -19.238 -1.935 3.127 1.00 0.00 O ATOM 315 CB ALA A 23 -16.889 -3.972 2.987 1.00 0.00 C ATOM 0 H ALA A 23 -15.778 -3.247 5.115 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.666 -1.861 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.597 -4.082 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.881 -4.182 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.145 -4.673 3.782 1.00 0.00 H new ATOM 321 N SER A 24 -18.606 -2.224 5.267 1.00 0.00 N ATOM 322 CA SER A 24 -19.924 -1.920 5.812 1.00 0.00 C ATOM 323 C SER A 24 -20.015 -0.455 6.227 1.00 0.00 C ATOM 324 O SER A 24 -21.067 0.174 6.101 1.00 0.00 O ATOM 325 CB SER A 24 -20.223 -2.821 7.012 1.00 0.00 C ATOM 326 OG SER A 24 -21.619 -3.008 7.173 1.00 0.00 O ATOM 0 H SER A 24 -17.900 -2.444 5.969 1.00 0.00 H new ATOM 0 HA SER A 24 -20.664 -2.106 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.737 -3.787 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.805 -2.378 7.916 1.00 0.00 H new ATOM 0 HG SER A 24 -21.784 -3.589 7.945 1.00 0.00 H new ATOM 332 N HIS A 25 -18.906 0.083 6.723 1.00 0.00 N ATOM 333 CA HIS A 25 -18.859 1.475 7.157 1.00 0.00 C ATOM 334 C HIS A 25 -17.650 2.190 6.561 1.00 0.00 C ATOM 335 O HIS A 25 -16.842 2.790 7.270 1.00 0.00 O ATOM 336 CB HIS A 25 -18.812 1.555 8.683 1.00 0.00 C ATOM 337 CG HIS A 25 -20.161 1.470 9.329 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.727 2.514 10.030 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.059 0.458 9.375 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.913 2.147 10.482 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.138 0.904 10.097 1.00 0.00 N ATOM 0 H HIS A 25 -18.028 -0.423 6.835 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.763 1.970 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.185 0.748 9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.337 2.491 8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.947 -0.518 8.927 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.584 2.759 11.067 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -22.978 0.363 10.303 1.00 0.00 H new ATOM 349 N PRO A 26 -17.520 2.124 5.228 1.00 0.00 N ATOM 350 CA PRO A 26 -16.412 2.759 4.508 1.00 0.00 C ATOM 351 C PRO A 26 -16.190 4.203 4.942 1.00 0.00 C ATOM 352 O PRO A 26 -17.123 4.915 5.316 1.00 0.00 O ATOM 353 CB PRO A 26 -16.861 2.703 3.045 1.00 0.00 C ATOM 354 CG PRO A 26 -17.790 1.540 2.978 1.00 0.00 C ATOM 355 CD PRO A 26 -18.446 1.425 4.320 1.00 0.00 C ATOM 0 HA PRO A 26 -15.463 2.257 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.360 3.626 2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.012 2.570 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.535 1.686 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.247 0.627 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.433 1.887 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.581 0.383 4.611 1.00 0.00 H new ATOM 363 N PRO A 27 -14.926 4.649 4.893 1.00 0.00 N ATOM 364 CA PRO A 27 -14.553 6.014 5.277 1.00 0.00 C ATOM 365 C PRO A 27 -15.063 7.055 4.287 1.00 0.00 C ATOM 366 O PRO A 27 -15.418 6.728 3.154 1.00 0.00 O ATOM 367 CB PRO A 27 -13.022 5.977 5.274 1.00 0.00 C ATOM 368 CG PRO A 27 -12.672 4.881 4.327 1.00 0.00 C ATOM 369 CD PRO A 27 -13.764 3.856 4.457 1.00 0.00 C ATOM 0 HA PRO A 27 -14.984 6.300 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.604 6.930 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.629 5.779 6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.607 5.254 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.701 4.450 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.955 3.350 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.508 3.086 5.184 1.00 0.00 H new ATOM 377 N VAL A 28 -15.095 8.311 4.720 1.00 0.00 N ATOM 378 CA VAL A 28 -15.560 9.401 3.871 1.00 0.00 C ATOM 379 C VAL A 28 -14.457 9.875 2.931 1.00 0.00 C ATOM 380 O VAL A 28 -13.428 10.385 3.374 1.00 0.00 O ATOM 381 CB VAL A 28 -16.053 10.595 4.710 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.317 11.800 3.820 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.301 10.217 5.493 1.00 0.00 C ATOM 0 H VAL A 28 -14.804 8.599 5.654 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.391 9.012 3.283 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.273 10.863 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.665 12.634 4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.397 12.083 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.079 11.548 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.635 11.072 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.089 9.922 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.074 9.386 6.160 1.00 0.00 H new ATOM 393 N GLU A 29 -14.679 9.703 1.632 1.00 0.00 N ATOM 394 CA GLU A 29 -13.703 10.113 0.630 1.00 0.00 C ATOM 395 C GLU A 29 -13.345 11.588 0.790 1.00 0.00 C ATOM 396 O GLU A 29 -14.198 12.463 0.648 1.00 0.00 O ATOM 397 CB GLU A 29 -14.246 9.859 -0.778 1.00 0.00 C ATOM 398 CG GLU A 29 -15.154 10.964 -1.289 1.00 0.00 C ATOM 399 CD GLU A 29 -16.057 10.503 -2.416 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.559 10.348 -3.551 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.263 10.297 -2.164 1.00 0.00 O ATOM 0 H GLU A 29 -15.526 9.283 1.249 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.800 9.520 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.408 9.742 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.796 8.918 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.766 11.335 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.545 11.799 -1.635 1.00 0.00 H new ATOM 408 N GLY A 30 -12.077 11.855 1.088 1.00 0.00 N ATOM 409 CA GLY A 30 -11.629 13.224 1.263 1.00 0.00 C ATOM 410 C GLY A 30 -11.769 13.701 2.695 1.00 0.00 C ATOM 411 O GLY A 30 -11.930 14.895 2.946 1.00 0.00 O ATOM 0 H GLY A 30 -11.352 11.148 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.586 13.304 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.204 13.878 0.608 1.00 0.00 H new ATOM 415 N SER A 31 -11.710 12.765 3.638 1.00 0.00 N ATOM 416 CA SER A 31 -11.838 13.096 5.052 1.00 0.00 C ATOM 417 C SER A 31 -10.488 13.001 5.756 1.00 0.00 C ATOM 418 O SER A 31 -10.113 13.886 6.527 1.00 0.00 O ATOM 419 CB SER A 31 -12.844 12.162 5.727 1.00 0.00 C ATOM 420 OG SER A 31 -13.132 12.590 7.047 1.00 0.00 O ATOM 0 H SER A 31 -11.574 11.772 3.448 1.00 0.00 H new ATOM 0 HA SER A 31 -12.197 14.122 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.764 12.130 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.445 11.148 5.749 1.00 0.00 H new ATOM 0 HG SER A 31 -13.778 11.977 7.456 1.00 0.00 H new ATOM 426 N TYR A 32 -9.761 11.923 5.486 1.00 0.00 N ATOM 427 CA TYR A 32 -8.453 11.710 6.094 1.00 0.00 C ATOM 428 C TYR A 32 -7.358 12.404 5.289 1.00 0.00 C ATOM 429 O TYR A 32 -7.259 12.229 4.075 1.00 0.00 O ATOM 430 CB TYR A 32 -8.153 10.214 6.199 1.00 0.00 C ATOM 431 CG TYR A 32 -6.685 9.901 6.373 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.821 9.897 5.285 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.160 9.610 7.627 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.478 9.612 5.440 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.819 9.324 7.791 1.00 0.00 C ATOM 436 CZ TYR A 32 -3.982 9.326 6.695 1.00 0.00 C ATOM 437 OH TYR A 32 -2.645 9.042 6.853 1.00 0.00 O ATOM 0 H TYR A 32 -10.055 11.182 4.850 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.472 12.141 7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.706 9.799 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.518 9.715 5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.206 10.121 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.812 9.608 8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.820 9.613 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.428 9.100 8.772 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.360 8.413 6.158 1.00 0.00 H new ATOM 447 N ALA A 33 -6.538 13.192 5.976 1.00 0.00 N ATOM 448 CA ALA A 33 -5.448 13.911 5.328 1.00 0.00 C ATOM 449 C ALA A 33 -4.137 13.142 5.445 1.00 0.00 C ATOM 450 O ALA A 33 -3.566 13.001 6.527 1.00 0.00 O ATOM 451 CB ALA A 33 -5.302 15.301 5.928 1.00 0.00 C ATOM 0 H ALA A 33 -6.608 13.349 6.981 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.689 14.008 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.484 15.826 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.229 15.857 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.088 15.217 6.994 1.00 0.00 H new ATOM 457 N PRO A 34 -3.646 12.630 4.306 1.00 0.00 N ATOM 458 CA PRO A 34 -2.396 11.866 4.256 1.00 0.00 C ATOM 459 C PRO A 34 -1.172 12.741 4.505 1.00 0.00 C ATOM 460 O PRO A 34 -1.030 13.810 3.913 1.00 0.00 O ATOM 461 CB PRO A 34 -2.376 11.313 2.829 1.00 0.00 C ATOM 462 CG PRO A 34 -3.207 12.266 2.041 1.00 0.00 C ATOM 463 CD PRO A 34 -4.273 12.759 2.980 1.00 0.00 C ATOM 0 HA PRO A 34 -2.357 11.096 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.359 11.259 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.786 10.304 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.604 13.093 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.648 11.775 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.551 13.791 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.182 12.162 2.905 1.00 0.00 H new ATOM 471 N ARG A 35 -0.290 12.279 5.386 1.00 0.00 N ATOM 472 CA ARG A 35 0.922 13.019 5.714 1.00 0.00 C ATOM 473 C ARG A 35 2.163 12.163 5.480 1.00 0.00 C ATOM 474 O ARG A 35 2.126 10.942 5.636 1.00 0.00 O ATOM 475 CB ARG A 35 0.880 13.488 7.170 1.00 0.00 C ATOM 476 CG ARG A 35 -0.394 14.232 7.533 1.00 0.00 C ATOM 477 CD ARG A 35 -0.352 15.675 7.055 1.00 0.00 C ATOM 478 NE ARG A 35 0.397 16.533 7.969 1.00 0.00 N ATOM 479 CZ ARG A 35 -0.043 16.888 9.171 1.00 0.00 C ATOM 480 NH1 ARG A 35 -1.222 16.460 9.602 1.00 0.00 N ATOM 481 NH2 ARG A 35 0.697 17.672 9.945 1.00 0.00 N ATOM 0 H ARG A 35 -0.393 11.395 5.885 1.00 0.00 H new ATOM 0 HA ARG A 35 0.974 13.889 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.985 12.623 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.736 14.136 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.251 13.726 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.534 14.210 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.103 15.716 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.369 16.053 6.954 1.00 0.00 H new ATOM 0 HE ARG A 35 1.308 16.879 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.793 15.857 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.558 16.734 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.605 18.003 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.358 17.944 10.868 1.00 0.00 H new ATOM 495 N ARG A 36 3.261 12.811 5.103 1.00 0.00 N ATOM 496 CA ARG A 36 4.512 12.109 4.846 1.00 0.00 C ATOM 497 C ARG A 36 4.988 11.371 6.093 1.00 0.00 C ATOM 498 O ARG A 36 5.396 11.990 7.075 1.00 0.00 O ATOM 499 CB ARG A 36 5.587 13.093 4.380 1.00 0.00 C ATOM 500 CG ARG A 36 6.923 12.435 4.073 1.00 0.00 C ATOM 501 CD ARG A 36 7.707 13.225 3.036 1.00 0.00 C ATOM 502 NE ARG A 36 8.532 14.263 3.648 1.00 0.00 N ATOM 503 CZ ARG A 36 9.054 15.280 2.972 1.00 0.00 C ATOM 504 NH1 ARG A 36 8.838 15.395 1.669 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.795 16.185 3.600 1.00 0.00 N ATOM 0 H ARG A 36 3.309 13.821 4.969 1.00 0.00 H new ATOM 0 HA ARG A 36 4.333 11.377 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.233 13.610 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.733 13.850 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.509 12.353 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.756 11.421 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.342 12.546 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.015 13.682 2.329 1.00 0.00 H new ATOM 0 HE ARG A 36 8.717 14.204 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.270 14.701 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.240 16.177 1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.964 16.099 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.196 16.966 3.080 1.00 0.00 H new ATOM 519 N GLY A 37 4.933 10.043 6.047 1.00 0.00 N ATOM 520 CA GLY A 37 5.360 9.243 7.180 1.00 0.00 C ATOM 521 C GLY A 37 4.208 8.856 8.084 1.00 0.00 C ATOM 522 O GLY A 37 4.395 8.642 9.282 1.00 0.00 O ATOM 0 H GLY A 37 4.600 9.507 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.853 8.341 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.099 9.800 7.756 1.00 0.00 H new ATOM 526 N GLU A 38 3.011 8.767 7.511 1.00 0.00 N ATOM 527 CA GLU A 38 1.824 8.405 8.276 1.00 0.00 C ATOM 528 C GLU A 38 1.155 7.166 7.688 1.00 0.00 C ATOM 529 O GLU A 38 1.128 6.979 6.471 1.00 0.00 O ATOM 530 CB GLU A 38 0.832 9.570 8.301 1.00 0.00 C ATOM 531 CG GLU A 38 1.040 10.522 9.467 1.00 0.00 C ATOM 532 CD GLU A 38 0.658 9.905 10.798 1.00 0.00 C ATOM 533 OE1 GLU A 38 0.643 8.660 10.893 1.00 0.00 O ATOM 534 OE2 GLU A 38 0.375 10.668 11.746 1.00 0.00 O ATOM 0 H GLU A 38 2.838 8.941 6.521 1.00 0.00 H new ATOM 0 HA GLU A 38 2.135 8.179 9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.916 10.128 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.182 9.172 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.086 10.828 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.449 11.423 9.305 1.00 0.00 H new ATOM 541 N PHE A 39 0.617 6.320 8.561 1.00 0.00 N ATOM 542 CA PHE A 39 -0.051 5.098 8.129 1.00 0.00 C ATOM 543 C PHE A 39 -1.525 5.358 7.835 1.00 0.00 C ATOM 544 O PHE A 39 -2.136 6.256 8.415 1.00 0.00 O ATOM 545 CB PHE A 39 0.084 4.013 9.200 1.00 0.00 C ATOM 546 CG PHE A 39 1.492 3.528 9.389 1.00 0.00 C ATOM 547 CD1 PHE A 39 2.406 4.276 10.114 1.00 0.00 C ATOM 548 CD2 PHE A 39 1.904 2.324 8.840 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.703 3.832 10.290 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.199 1.875 9.012 1.00 0.00 C ATOM 551 CZ PHE A 39 4.100 2.630 9.737 1.00 0.00 C ATOM 0 H PHE A 39 0.631 6.459 9.571 1.00 0.00 H new ATOM 0 HA PHE A 39 0.429 4.756 7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.288 4.402 10.148 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.550 3.168 8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.101 5.217 10.547 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.204 1.730 8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.405 4.424 10.859 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.507 0.934 8.580 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.113 2.281 9.871 1.00 0.00 H new ATOM 561 N CYS A 40 -2.090 4.566 6.930 1.00 0.00 N ATOM 562 CA CYS A 40 -3.492 4.711 6.557 1.00 0.00 C ATOM 563 C CYS A 40 -3.918 3.600 5.602 1.00 0.00 C ATOM 564 O CYS A 40 -3.084 2.847 5.099 1.00 0.00 O ATOM 565 CB CYS A 40 -3.731 6.076 5.909 1.00 0.00 C ATOM 566 SG CYS A 40 -2.608 6.451 4.543 1.00 0.00 S ATOM 0 H CYS A 40 -1.599 3.817 6.442 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.093 4.637 7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.757 6.118 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.631 6.850 6.670 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.889 7.624 4.059 1.00 0.00 H new ATOM 572 N ILE A 41 -5.221 3.503 5.359 1.00 0.00 N ATOM 573 CA ILE A 41 -5.757 2.484 4.466 1.00 0.00 C ATOM 574 C ILE A 41 -6.014 3.052 3.075 1.00 0.00 C ATOM 575 O ILE A 41 -6.598 4.125 2.930 1.00 0.00 O ATOM 576 CB ILE A 41 -7.067 1.887 5.014 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.128 2.980 5.161 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.818 1.200 6.349 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.475 2.457 5.609 1.00 0.00 C ATOM 0 H ILE A 41 -5.925 4.118 5.768 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.007 1.696 4.401 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.434 1.143 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.778 3.721 5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.245 3.492 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.753 0.783 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.091 0.399 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.432 1.925 7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.178 3.286 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.847 1.738 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.372 1.970 6.579 1.00 0.00 H new ATOM 591 N ALA A 42 -5.574 2.324 2.054 1.00 0.00 N ATOM 592 CA ALA A 42 -5.760 2.753 0.673 1.00 0.00 C ATOM 593 C ALA A 42 -6.705 1.816 -0.071 1.00 0.00 C ATOM 594 O ALA A 42 -6.667 0.600 0.118 1.00 0.00 O ATOM 595 CB ALA A 42 -4.418 2.829 -0.041 1.00 0.00 C ATOM 0 H ALA A 42 -5.086 1.434 2.157 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.210 3.746 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.572 3.150 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.774 3.544 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.946 1.846 -0.034 1.00 0.00 H new ATOM 601 N LYS A 43 -7.554 2.390 -0.918 1.00 0.00 N ATOM 602 CA LYS A 43 -8.510 1.606 -1.691 1.00 0.00 C ATOM 603 C LYS A 43 -7.878 1.098 -2.983 1.00 0.00 C ATOM 604 O LYS A 43 -7.326 1.875 -3.763 1.00 0.00 O ATOM 605 CB LYS A 43 -9.747 2.447 -2.013 1.00 0.00 C ATOM 606 CG LYS A 43 -11.014 1.626 -2.181 1.00 0.00 C ATOM 607 CD LYS A 43 -12.241 2.513 -2.312 1.00 0.00 C ATOM 608 CE LYS A 43 -13.493 1.810 -1.810 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.726 2.355 -2.442 1.00 0.00 N ATOM 0 H LYS A 43 -7.599 3.395 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.808 0.747 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.899 3.175 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.565 3.010 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.925 0.994 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.134 0.962 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.088 3.433 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.376 2.798 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.419 0.743 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.561 1.919 -0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.557 1.850 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.811 3.368 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.673 2.228 -3.473 1.00 0.00 H new ATOM 623 N PHE A 44 -7.963 -0.209 -3.204 1.00 0.00 N ATOM 624 CA PHE A 44 -7.400 -0.821 -4.402 1.00 0.00 C ATOM 625 C PHE A 44 -8.393 -0.766 -5.559 1.00 0.00 C ATOM 626 O PHE A 44 -9.602 -0.672 -5.350 1.00 0.00 O ATOM 627 CB PHE A 44 -7.005 -2.272 -4.122 1.00 0.00 C ATOM 628 CG PHE A 44 -6.017 -2.826 -5.109 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.839 -2.151 -5.383 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.267 -4.022 -5.762 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.929 -2.658 -6.291 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.360 -4.534 -6.671 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.189 -3.852 -6.935 1.00 0.00 C ATOM 0 H PHE A 44 -8.417 -0.866 -2.569 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.510 -0.258 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.581 -2.338 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.901 -2.892 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.629 -1.218 -4.881 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.181 -4.560 -5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.015 -2.121 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.567 -5.467 -7.174 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.478 -4.251 -7.643 1.00 0.00 H new ATOM 643 N VAL A 45 -7.873 -0.825 -6.781 1.00 0.00 N ATOM 644 CA VAL A 45 -8.712 -0.783 -7.972 1.00 0.00 C ATOM 645 C VAL A 45 -9.911 -1.715 -7.833 1.00 0.00 C ATOM 646 O VAL A 45 -10.932 -1.534 -8.497 1.00 0.00 O ATOM 647 CB VAL A 45 -7.918 -1.171 -9.233 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.679 -0.299 -9.373 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.541 -2.645 -9.192 1.00 0.00 C ATOM 0 H VAL A 45 -6.874 -0.902 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.063 0.244 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.550 -1.005 -10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.130 -0.588 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.977 0.747 -9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.041 -0.431 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.980 -2.902 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.926 -2.839 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.446 -3.251 -9.143 1.00 0.00 H new ATOM 659 N ASP A 46 -9.780 -2.713 -6.965 1.00 0.00 N ATOM 660 CA ASP A 46 -10.853 -3.674 -6.737 1.00 0.00 C ATOM 661 C ASP A 46 -11.686 -3.279 -5.522 1.00 0.00 C ATOM 662 O ASP A 46 -12.260 -4.132 -4.847 1.00 0.00 O ATOM 663 CB ASP A 46 -10.276 -5.077 -6.542 1.00 0.00 C ATOM 664 CG ASP A 46 -11.241 -6.164 -6.975 1.00 0.00 C ATOM 665 OD1 ASP A 46 -12.463 -5.907 -6.975 1.00 0.00 O ATOM 666 OD2 ASP A 46 -10.773 -7.272 -7.313 1.00 0.00 O ATOM 0 H ASP A 46 -8.941 -2.877 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.500 -3.675 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.351 -5.169 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.020 -5.219 -5.492 1.00 0.00 H new ATOM 671 N GLY A 47 -11.746 -1.979 -5.248 1.00 0.00 N ATOM 672 CA GLY A 47 -12.510 -1.495 -4.114 1.00 0.00 C ATOM 673 C GLY A 47 -12.128 -2.185 -2.820 1.00 0.00 C ATOM 674 O GLY A 47 -12.913 -2.221 -1.873 1.00 0.00 O ATOM 0 H GLY A 47 -11.279 -1.253 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.357 -0.421 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.572 -1.648 -4.304 1.00 0.00 H new ATOM 678 N GLU A 48 -10.920 -2.737 -2.780 1.00 0.00 N ATOM 679 CA GLU A 48 -10.437 -3.433 -1.592 1.00 0.00 C ATOM 680 C GLU A 48 -9.456 -2.562 -0.813 1.00 0.00 C ATOM 681 O GLU A 48 -8.430 -2.137 -1.344 1.00 0.00 O ATOM 682 CB GLU A 48 -9.766 -4.751 -1.984 1.00 0.00 C ATOM 683 CG GLU A 48 -10.737 -5.798 -2.501 1.00 0.00 C ATOM 684 CD GLU A 48 -11.787 -6.179 -1.475 1.00 0.00 C ATOM 685 OE1 GLU A 48 -12.677 -5.346 -1.201 1.00 0.00 O ATOM 686 OE2 GLU A 48 -11.719 -7.307 -0.946 1.00 0.00 O ATOM 0 H GLU A 48 -10.258 -2.716 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.294 -3.646 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.016 -4.553 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.239 -5.152 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.230 -5.420 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.182 -6.689 -2.795 1.00 0.00 H new ATOM 693 N TRP A 49 -9.780 -2.300 0.448 1.00 0.00 N ATOM 694 CA TRP A 49 -8.928 -1.479 1.301 1.00 0.00 C ATOM 695 C TRP A 49 -7.730 -2.277 1.804 1.00 0.00 C ATOM 696 O TRP A 49 -7.848 -3.464 2.110 1.00 0.00 O ATOM 697 CB TRP A 49 -9.729 -0.937 2.486 1.00 0.00 C ATOM 698 CG TRP A 49 -10.727 0.112 2.098 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.031 -0.088 1.744 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.501 1.524 2.023 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.629 1.114 1.454 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.713 2.118 1.618 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.395 2.344 2.261 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.845 3.494 1.445 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.528 3.708 2.089 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.746 4.272 1.685 1.00 0.00 C ATOM 0 H TRP A 49 -10.626 -2.644 0.902 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.560 -0.643 0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.250 -1.762 2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.040 -0.519 3.220 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.520 -1.050 1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.599 1.238 1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.453 1.919 2.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.782 3.931 1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.679 4.351 2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.818 5.342 1.561 1.00 0.00 H new ATOM 717 N TYR A 50 -6.579 -1.620 1.888 1.00 0.00 N ATOM 718 CA TYR A 50 -5.360 -2.269 2.352 1.00 0.00 C ATOM 719 C TYR A 50 -4.487 -1.294 3.137 1.00 0.00 C ATOM 720 O TYR A 50 -4.580 -0.080 2.958 1.00 0.00 O ATOM 721 CB TYR A 50 -4.574 -2.833 1.167 1.00 0.00 C ATOM 722 CG TYR A 50 -5.311 -3.917 0.413 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.478 -5.183 0.962 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.842 -3.676 -0.849 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.149 -6.176 0.277 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.516 -4.663 -1.541 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.667 -5.912 -0.974 1.00 0.00 C ATOM 728 OH TYR A 50 -7.338 -6.898 -1.660 1.00 0.00 O ATOM 0 H TYR A 50 -6.465 -0.637 1.640 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.645 -3.087 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.337 -2.021 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.626 -3.233 1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.076 -5.394 1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.725 -2.700 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.268 -7.155 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.923 -4.458 -2.520 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.640 -6.548 -2.524 1.00 0.00 H new ATOM 738 N ARG A 51 -3.640 -1.836 4.006 1.00 0.00 N ATOM 739 CA ARG A 51 -2.751 -1.015 4.819 1.00 0.00 C ATOM 740 C ARG A 51 -1.603 -0.461 3.979 1.00 0.00 C ATOM 741 O ARG A 51 -1.023 -1.171 3.158 1.00 0.00 O ATOM 742 CB ARG A 51 -2.195 -1.831 5.987 1.00 0.00 C ATOM 743 CG ARG A 51 -3.098 -1.837 7.210 1.00 0.00 C ATOM 744 CD ARG A 51 -2.304 -2.052 8.488 1.00 0.00 C ATOM 745 NE ARG A 51 -2.179 -3.467 8.825 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.231 -4.258 8.336 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.328 -3.774 7.494 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.184 -5.536 8.689 1.00 0.00 N ATOM 0 H ARG A 51 -3.551 -2.840 4.165 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.328 -0.178 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.036 -2.858 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.220 -1.431 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.637 -0.892 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.845 -2.624 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.311 -1.618 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.790 -1.526 9.309 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.857 -3.870 9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.360 -2.792 7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.399 -4.384 7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.877 -5.912 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.455 -6.143 8.313 1.00 0.00 H new ATOM 762 N ALA A 52 -1.282 0.811 4.191 1.00 0.00 N ATOM 763 CA ALA A 52 -0.203 1.459 3.456 1.00 0.00 C ATOM 764 C ALA A 52 0.322 2.676 4.210 1.00 0.00 C ATOM 765 O ALA A 52 -0.422 3.338 4.933 1.00 0.00 O ATOM 766 CB ALA A 52 -0.678 1.861 2.068 1.00 0.00 C ATOM 0 H ALA A 52 -1.754 1.413 4.866 1.00 0.00 H new ATOM 0 HA ALA A 52 0.615 0.746 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.138 2.344 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.998 0.974 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.515 2.554 2.156 1.00 0.00 H new ATOM 772 N ARG A 53 1.608 2.963 4.038 1.00 0.00 N ATOM 773 CA ARG A 53 2.233 4.100 4.705 1.00 0.00 C ATOM 774 C ARG A 53 2.590 5.190 3.699 1.00 0.00 C ATOM 775 O ARG A 53 3.311 4.945 2.732 1.00 0.00 O ATOM 776 CB ARG A 53 3.488 3.651 5.455 1.00 0.00 C ATOM 777 CG ARG A 53 4.176 4.773 6.216 1.00 0.00 C ATOM 778 CD ARG A 53 5.336 4.250 7.050 1.00 0.00 C ATOM 779 NE ARG A 53 5.881 5.278 7.933 1.00 0.00 N ATOM 780 CZ ARG A 53 6.707 5.018 8.940 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.083 3.771 9.189 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.161 6.007 9.700 1.00 0.00 N ATOM 0 H ARG A 53 2.238 2.425 3.443 1.00 0.00 H new ATOM 0 HA ARG A 53 1.519 4.509 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.219 2.860 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.192 3.221 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.540 5.521 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.455 5.270 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.001 3.401 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.122 3.885 6.389 1.00 0.00 H new ATOM 0 HE ARG A 53 5.613 6.248 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.738 3.008 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.717 3.575 9.963 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.876 6.968 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.795 5.806 10.473 1.00 0.00 H new ATOM 796 N VAL A 54 2.081 6.395 3.935 1.00 0.00 N ATOM 797 CA VAL A 54 2.346 7.524 3.050 1.00 0.00 C ATOM 798 C VAL A 54 3.842 7.696 2.813 1.00 0.00 C ATOM 799 O VAL A 54 4.610 7.902 3.753 1.00 0.00 O ATOM 800 CB VAL A 54 1.775 8.834 3.625 1.00 0.00 C ATOM 801 CG1 VAL A 54 2.090 10.003 2.705 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.275 8.708 3.847 1.00 0.00 C ATOM 0 H VAL A 54 1.483 6.615 4.731 1.00 0.00 H new ATOM 0 HA VAL A 54 1.853 7.306 2.103 1.00 0.00 H new ATOM 0 HB VAL A 54 2.247 9.024 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.679 10.920 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.170 10.104 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.647 9.825 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.112 9.642 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.217 8.494 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.078 7.898 4.549 1.00 0.00 H new ATOM 812 N GLU A 55 4.250 7.610 1.551 1.00 0.00 N ATOM 813 CA GLU A 55 5.655 7.756 1.191 1.00 0.00 C ATOM 814 C GLU A 55 5.960 9.187 0.758 1.00 0.00 C ATOM 815 O GLU A 55 6.987 9.755 1.130 1.00 0.00 O ATOM 816 CB GLU A 55 6.021 6.783 0.067 1.00 0.00 C ATOM 817 CG GLU A 55 5.933 5.322 0.475 1.00 0.00 C ATOM 818 CD GLU A 55 6.751 4.415 -0.424 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.321 4.170 -1.570 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.822 3.952 0.020 1.00 0.00 O ATOM 0 H GLU A 55 3.628 7.440 0.761 1.00 0.00 H new ATOM 0 HA GLU A 55 6.255 7.525 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.359 6.955 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.035 6.997 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.277 5.214 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.890 5.005 0.453 1.00 0.00 H new ATOM 827 N LYS A 56 5.060 9.765 -0.031 1.00 0.00 N ATOM 828 CA LYS A 56 5.231 11.130 -0.515 1.00 0.00 C ATOM 829 C LYS A 56 3.887 11.743 -0.897 1.00 0.00 C ATOM 830 O LYS A 56 3.219 11.274 -1.819 1.00 0.00 O ATOM 831 CB LYS A 56 6.174 11.151 -1.720 1.00 0.00 C ATOM 832 CG LYS A 56 5.868 12.260 -2.712 1.00 0.00 C ATOM 833 CD LYS A 56 7.009 12.459 -3.695 1.00 0.00 C ATOM 834 CE LYS A 56 6.848 13.750 -4.483 1.00 0.00 C ATOM 835 NZ LYS A 56 6.674 14.927 -3.588 1.00 0.00 N ATOM 0 H LYS A 56 4.205 9.309 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 56 5.666 11.723 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.199 11.263 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.117 10.191 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.955 12.020 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.684 13.190 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.956 12.477 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.049 11.614 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.723 13.901 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.986 13.666 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.221 15.730 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.667 15.184 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.012 14.690 -2.633 1.00 0.00 H new ATOM 849 N VAL A 57 3.498 12.794 -0.183 1.00 0.00 N ATOM 850 CA VAL A 57 2.235 13.474 -0.449 1.00 0.00 C ATOM 851 C VAL A 57 2.429 14.633 -1.420 1.00 0.00 C ATOM 852 O VAL A 57 2.993 15.667 -1.063 1.00 0.00 O ATOM 853 CB VAL A 57 1.600 14.006 0.849 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.248 14.641 0.560 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.466 12.889 1.873 1.00 0.00 C ATOM 0 H VAL A 57 4.039 13.194 0.584 1.00 0.00 H new ATOM 0 HA VAL A 57 1.567 12.738 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 57 2.253 14.773 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.186 15.011 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.377 15.470 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.417 13.897 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.015 13.283 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.834 12.098 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.452 12.485 2.101 1.00 0.00 H new ATOM 865 N GLU A 58 1.957 14.453 -2.650 1.00 0.00 N ATOM 866 CA GLU A 58 2.079 15.485 -3.673 1.00 0.00 C ATOM 867 C GLU A 58 0.922 16.476 -3.586 1.00 0.00 C ATOM 868 O GLU A 58 1.118 17.650 -3.271 1.00 0.00 O ATOM 869 CB GLU A 58 2.120 14.852 -5.065 1.00 0.00 C ATOM 870 CG GLU A 58 3.523 14.507 -5.536 1.00 0.00 C ATOM 871 CD GLU A 58 4.304 15.726 -5.984 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.671 16.548 -5.118 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.550 15.858 -7.202 1.00 0.00 O ATOM 0 H GLU A 58 1.487 13.603 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 58 3.010 16.024 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.514 13.946 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.664 15.537 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.062 14.012 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.461 13.797 -6.360 1.00 0.00 H new ATOM 880 N SER A 59 -0.285 15.995 -3.870 1.00 0.00 N ATOM 881 CA SER A 59 -1.473 16.838 -3.829 1.00 0.00 C ATOM 882 C SER A 59 -2.697 16.032 -3.404 1.00 0.00 C ATOM 883 O SER A 59 -2.711 14.802 -3.457 1.00 0.00 O ATOM 884 CB SER A 59 -1.719 17.477 -5.197 1.00 0.00 C ATOM 885 OG SER A 59 -0.827 18.555 -5.424 1.00 0.00 O ATOM 0 H SER A 59 -0.465 15.025 -4.131 1.00 0.00 H new ATOM 0 HA SER A 59 -1.304 17.625 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.596 16.728 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.747 17.833 -5.256 1.00 0.00 H new ATOM 0 HG SER A 59 -0.144 18.568 -4.721 1.00 0.00 H new ATOM 891 N PRO A 60 -3.751 16.741 -2.973 1.00 0.00 N ATOM 892 CA PRO A 60 -5.000 16.113 -2.531 1.00 0.00 C ATOM 893 C PRO A 60 -5.498 15.059 -3.514 1.00 0.00 C ATOM 894 O PRO A 60 -6.348 14.235 -3.177 1.00 0.00 O ATOM 895 CB PRO A 60 -5.981 17.286 -2.462 1.00 0.00 C ATOM 896 CG PRO A 60 -5.125 18.483 -2.231 1.00 0.00 C ATOM 897 CD PRO A 60 -3.805 18.210 -2.884 1.00 0.00 C ATOM 0 HA PRO A 60 -4.879 15.585 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.552 17.380 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.701 17.153 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.587 19.375 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.997 18.665 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.743 18.672 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.978 18.605 -2.294 1.00 0.00 H new ATOM 905 N ALA A 61 -4.964 15.091 -4.730 1.00 0.00 N ATOM 906 CA ALA A 61 -5.353 14.137 -5.761 1.00 0.00 C ATOM 907 C ALA A 61 -4.255 13.105 -5.997 1.00 0.00 C ATOM 908 O ALA A 61 -4.507 12.025 -6.531 1.00 0.00 O ATOM 909 CB ALA A 61 -5.683 14.864 -7.056 1.00 0.00 C ATOM 0 H ALA A 61 -4.260 15.768 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.243 13.610 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.972 14.139 -7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.506 15.557 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.808 15.417 -7.396 1.00 0.00 H new ATOM 915 N LYS A 62 -3.034 13.445 -5.595 1.00 0.00 N ATOM 916 CA LYS A 62 -1.896 12.549 -5.762 1.00 0.00 C ATOM 917 C LYS A 62 -1.191 12.312 -4.430 1.00 0.00 C ATOM 918 O LYS A 62 -0.620 13.234 -3.847 1.00 0.00 O ATOM 919 CB LYS A 62 -0.909 13.127 -6.778 1.00 0.00 C ATOM 920 CG LYS A 62 -1.415 13.085 -8.209 1.00 0.00 C ATOM 921 CD LYS A 62 -0.275 12.918 -9.199 1.00 0.00 C ATOM 922 CE LYS A 62 -0.771 12.392 -10.537 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.288 13.486 -11.406 1.00 0.00 N ATOM 0 H LYS A 62 -2.808 14.335 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.269 11.594 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.688 14.160 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.028 12.574 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.120 12.262 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.959 14.003 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.224 13.876 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.466 12.232 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.042 11.876 -11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.559 11.658 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.616 13.087 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.080 13.963 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.529 14.173 -11.587 1.00 0.00 H new ATOM 937 N ILE A 63 -1.234 11.071 -3.955 1.00 0.00 N ATOM 938 CA ILE A 63 -0.597 10.714 -2.694 1.00 0.00 C ATOM 939 C ILE A 63 0.199 9.420 -2.827 1.00 0.00 C ATOM 940 O ILE A 63 -0.374 8.336 -2.944 1.00 0.00 O ATOM 941 CB ILE A 63 -1.633 10.553 -1.566 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.727 11.614 -1.693 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.954 10.645 -0.207 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.300 12.984 -1.213 1.00 0.00 C ATOM 0 H ILE A 63 -1.703 10.297 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 63 0.080 11.530 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.095 9.570 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.035 11.683 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.600 11.294 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.699 10.529 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.207 9.856 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.469 11.616 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.126 13.685 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.020 12.930 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.446 13.325 -1.799 1.00 0.00 H new ATOM 956 N HIS A 64 1.522 9.541 -2.807 1.00 0.00 N ATOM 957 CA HIS A 64 2.398 8.380 -2.923 1.00 0.00 C ATOM 958 C HIS A 64 2.361 7.542 -1.649 1.00 0.00 C ATOM 959 O HIS A 64 2.642 8.039 -0.558 1.00 0.00 O ATOM 960 CB HIS A 64 3.832 8.823 -3.215 1.00 0.00 C ATOM 961 CG HIS A 64 3.958 9.674 -4.441 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.770 9.344 -5.505 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.368 10.847 -4.769 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.676 10.278 -6.434 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.831 11.202 -6.012 1.00 0.00 N ATOM 0 H HIS A 64 2.011 10.431 -2.712 1.00 0.00 H new ATOM 0 HA HIS A 64 2.040 7.767 -3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.214 9.377 -2.357 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.460 7.940 -3.330 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.352 8.509 -5.565 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.664 11.401 -4.165 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.201 10.285 -7.378 1.00 0.00 H new ATOM 973 N VAL A 65 2.011 6.267 -1.794 1.00 0.00 N ATOM 974 CA VAL A 65 1.937 5.360 -0.655 1.00 0.00 C ATOM 975 C VAL A 65 2.565 4.011 -0.985 1.00 0.00 C ATOM 976 O VAL A 65 2.936 3.750 -2.130 1.00 0.00 O ATOM 977 CB VAL A 65 0.481 5.140 -0.206 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.001 6.310 0.639 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.423 4.936 -1.412 1.00 0.00 C ATOM 0 H VAL A 65 1.774 5.840 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 65 2.493 5.827 0.158 1.00 0.00 H new ATOM 0 HB VAL A 65 0.441 4.239 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.032 6.136 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.630 6.405 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.053 7.228 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.448 4.782 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.379 5.817 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.090 4.063 -1.973 1.00 0.00 H new ATOM 989 N PHE A 66 2.682 3.156 0.025 1.00 0.00 N ATOM 990 CA PHE A 66 3.265 1.832 -0.157 1.00 0.00 C ATOM 991 C PHE A 66 2.514 0.788 0.664 1.00 0.00 C ATOM 992 O PHE A 66 2.453 0.874 1.891 1.00 0.00 O ATOM 993 CB PHE A 66 4.743 1.843 0.240 1.00 0.00 C ATOM 994 CG PHE A 66 5.302 0.476 0.509 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.819 -0.291 -0.523 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.311 -0.043 1.794 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.334 -1.550 -0.278 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.825 -1.302 2.044 1.00 0.00 C ATOM 999 CZ PHE A 66 6.338 -2.056 1.007 1.00 0.00 C ATOM 0 H PHE A 66 2.381 3.356 0.979 1.00 0.00 H new ATOM 0 HA PHE A 66 3.181 1.568 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.321 2.313 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.867 2.459 1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.819 0.099 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.912 0.542 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.733 -2.138 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.825 -1.696 3.050 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.741 -3.039 1.200 1.00 0.00 H new ATOM 1009 N TYR A 67 1.944 -0.197 -0.021 1.00 0.00 N ATOM 1010 CA TYR A 67 1.194 -1.256 0.644 1.00 0.00 C ATOM 1011 C TYR A 67 2.112 -2.112 1.510 1.00 0.00 C ATOM 1012 O TYR A 67 2.916 -2.893 0.999 1.00 0.00 O ATOM 1013 CB TYR A 67 0.485 -2.133 -0.390 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.611 -1.415 -1.143 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.309 -0.493 -2.138 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.950 -1.660 -0.862 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.308 0.166 -2.829 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.955 -1.007 -1.549 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.629 -0.095 -2.531 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.627 0.559 -3.217 1.00 0.00 O ATOM 0 H TYR A 67 1.987 -0.284 -1.036 1.00 0.00 H new ATOM 0 HA TYR A 67 0.448 -0.790 1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.220 -2.506 -1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.060 -3.002 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.724 -0.288 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.209 -2.373 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.056 0.881 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.990 -1.210 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.500 0.261 -2.887 1.00 0.00 H new ATOM 1030 N ILE A 68 1.986 -1.960 2.824 1.00 0.00 N ATOM 1031 CA ILE A 68 2.803 -2.719 3.763 1.00 0.00 C ATOM 1032 C ILE A 68 2.244 -4.123 3.966 1.00 0.00 C ATOM 1033 O ILE A 68 2.635 -4.830 4.895 1.00 0.00 O ATOM 1034 CB ILE A 68 2.896 -2.013 5.128 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.590 -2.186 5.906 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.216 -0.538 4.941 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.663 -1.679 7.330 1.00 0.00 C ATOM 0 H ILE A 68 1.326 -1.318 3.263 1.00 0.00 H new ATOM 0 HA ILE A 68 3.801 -2.786 3.330 1.00 0.00 H new ATOM 0 HB ILE A 68 3.702 -2.469 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.792 -1.660 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.321 -3.242 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.278 -0.053 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.169 -0.435 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.430 -0.067 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.702 -1.834 7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.438 -2.222 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.901 -0.615 7.326 1.00 0.00 H new ATOM 1049 N ASP A 69 1.328 -4.522 3.090 1.00 0.00 N ATOM 1050 CA ASP A 69 0.716 -5.844 3.172 1.00 0.00 C ATOM 1051 C ASP A 69 1.214 -6.743 2.044 1.00 0.00 C ATOM 1052 O ASP A 69 1.288 -7.962 2.196 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.808 -5.728 3.114 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.348 -4.706 4.095 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.171 -4.904 5.315 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.949 -3.709 3.643 1.00 0.00 O ATOM 0 H ASP A 69 0.993 -3.949 2.315 1.00 0.00 H new ATOM 0 HA ASP A 69 1.002 -6.292 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.110 -5.453 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.252 -6.701 3.326 1.00 0.00 H new ATOM 1061 N TYR A 70 1.552 -6.133 0.913 1.00 0.00 N ATOM 1062 CA TYR A 70 2.038 -6.878 -0.241 1.00 0.00 C ATOM 1063 C TYR A 70 3.464 -6.466 -0.594 1.00 0.00 C ATOM 1064 O TYR A 70 4.283 -7.295 -0.989 1.00 0.00 O ATOM 1065 CB TYR A 70 1.119 -6.655 -1.443 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.297 -7.137 -1.220 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.160 -6.450 -0.375 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.772 -8.278 -1.854 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.454 -6.887 -0.167 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.065 -8.722 -1.653 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.902 -8.023 -0.809 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.191 -8.460 -0.606 1.00 0.00 O ATOM 0 H TYR A 70 1.498 -5.124 0.772 1.00 0.00 H new ATOM 0 HA TYR A 70 2.038 -7.937 0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.099 -5.592 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.537 -7.168 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.813 -5.559 0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.119 -8.828 -2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.111 -6.342 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.418 -9.611 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.749 -7.708 -0.317 1.00 0.00 H new ATOM 1082 N GLY A 71 3.754 -5.176 -0.448 1.00 0.00 N ATOM 1083 CA GLY A 71 5.081 -4.675 -0.755 1.00 0.00 C ATOM 1084 C GLY A 71 5.137 -3.965 -2.093 1.00 0.00 C ATOM 1085 O GLY A 71 6.060 -4.178 -2.878 1.00 0.00 O ATOM 0 H GLY A 71 3.094 -4.470 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.398 -3.989 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.788 -5.505 -0.758 1.00 0.00 H new ATOM 1089 N ASN A 72 4.146 -3.118 -2.354 1.00 0.00 N ATOM 1090 CA ASN A 72 4.085 -2.376 -3.608 1.00 0.00 C ATOM 1091 C ASN A 72 3.749 -0.909 -3.356 1.00 0.00 C ATOM 1092 O ASN A 72 3.380 -0.529 -2.245 1.00 0.00 O ATOM 1093 CB ASN A 72 3.045 -2.996 -4.543 1.00 0.00 C ATOM 1094 CG ASN A 72 3.396 -2.808 -6.006 1.00 0.00 C ATOM 1095 OD1 ASN A 72 4.529 -3.053 -6.420 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.423 -2.370 -6.796 1.00 0.00 N ATOM 0 H ASN A 72 3.375 -2.929 -1.714 1.00 0.00 H new ATOM 0 HA ASN A 72 5.066 -2.430 -4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.956 -4.061 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.071 -2.549 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.600 -2.224 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.499 -2.180 -6.409 1.00 0.00 H new ATOM 1103 N ARG A 73 3.878 -0.091 -4.396 1.00 0.00 N ATOM 1104 CA ARG A 73 3.589 1.333 -4.287 1.00 0.00 C ATOM 1105 C ARG A 73 2.519 1.749 -5.293 1.00 0.00 C ATOM 1106 O ARG A 73 2.328 1.093 -6.316 1.00 0.00 O ATOM 1107 CB ARG A 73 4.861 2.153 -4.512 1.00 0.00 C ATOM 1108 CG ARG A 73 6.051 1.664 -3.704 1.00 0.00 C ATOM 1109 CD ARG A 73 7.363 1.934 -4.424 1.00 0.00 C ATOM 1110 NE ARG A 73 7.442 1.228 -5.700 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.489 1.298 -6.515 1.00 0.00 C ATOM 1112 NH1 ARG A 73 9.539 2.039 -6.189 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.486 0.627 -7.660 1.00 0.00 N ATOM 0 H ARG A 73 4.181 -0.391 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 73 3.214 1.526 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.117 2.128 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.662 3.194 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.060 2.158 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.951 0.595 -3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.469 3.005 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.195 1.629 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 73 6.650 0.650 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.544 2.557 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.341 2.091 -6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.679 0.057 -7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.290 0.681 -8.285 1.00 0.00 H new ATOM 1127 N GLU A 74 1.825 2.842 -4.993 1.00 0.00 N ATOM 1128 CA GLU A 74 0.773 3.343 -5.870 1.00 0.00 C ATOM 1129 C GLU A 74 0.391 4.773 -5.499 1.00 0.00 C ATOM 1130 O GLU A 74 0.159 5.082 -4.331 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.458 2.438 -5.796 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.489 2.723 -6.876 1.00 0.00 C ATOM 1133 CD GLU A 74 -1.142 2.070 -8.200 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -1.033 0.827 -8.237 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.979 2.803 -9.198 1.00 0.00 O ATOM 0 H GLU A 74 1.972 3.397 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 74 1.155 3.341 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.140 1.399 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.926 2.555 -4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.465 2.368 -6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.573 3.800 -7.017 1.00 0.00 H new ATOM 1142 N VAL A 75 0.328 5.642 -6.504 1.00 0.00 N ATOM 1143 CA VAL A 75 -0.027 7.039 -6.284 1.00 0.00 C ATOM 1144 C VAL A 75 -1.539 7.234 -6.319 1.00 0.00 C ATOM 1145 O VAL A 75 -2.134 7.368 -7.390 1.00 0.00 O ATOM 1146 CB VAL A 75 0.622 7.955 -7.339 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.188 9.398 -7.132 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.138 7.833 -7.288 1.00 0.00 C ATOM 0 H VAL A 75 0.518 5.403 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 75 0.349 7.310 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 75 0.287 7.638 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.656 10.031 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.896 9.468 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.492 9.731 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.581 8.486 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.493 8.124 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.427 6.801 -7.488 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.155 7.251 -5.143 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.599 7.430 -5.038 1.00 0.00 C ATOM 1160 C LEU A 76 -3.935 8.749 -4.347 1.00 0.00 C ATOM 1161 O LEU A 76 -3.165 9.267 -3.538 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.223 6.265 -4.268 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.766 4.866 -4.682 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.841 3.909 -3.503 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.605 4.352 -5.843 1.00 0.00 C ATOM 0 H LEU A 76 -1.677 7.143 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.012 7.453 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.005 6.398 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.306 6.320 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.728 4.926 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.512 2.918 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.196 4.268 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.869 3.853 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.265 3.355 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.652 4.308 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.499 5.025 -6.694 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.112 9.303 -4.671 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.578 10.567 -4.092 1.00 0.00 C ATOM 1179 C PRO A 77 -5.938 10.429 -2.616 1.00 0.00 C ATOM 1180 O PRO A 77 -5.921 9.330 -2.063 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.824 10.898 -4.917 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.308 9.580 -5.417 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.079 8.740 -5.628 1.00 0.00 C ATOM 0 HA PRO A 77 -4.810 11.339 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.581 11.393 -4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.586 11.571 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.981 9.113 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.866 9.696 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.274 7.686 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.716 8.809 -6.654 1.00 0.00 H new ATOM 1191 N SER A 78 -6.263 11.553 -1.984 1.00 0.00 N ATOM 1192 CA SER A 78 -6.624 11.558 -0.571 1.00 0.00 C ATOM 1193 C SER A 78 -8.034 11.012 -0.369 1.00 0.00 C ATOM 1194 O SER A 78 -8.537 10.957 0.754 1.00 0.00 O ATOM 1195 CB SER A 78 -6.527 12.975 -0.004 1.00 0.00 C ATOM 1196 OG SER A 78 -7.351 13.872 -0.728 1.00 0.00 O ATOM 0 H SER A 78 -6.284 12.471 -2.428 1.00 0.00 H new ATOM 0 HA SER A 78 -5.924 10.913 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.823 12.971 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.492 13.315 -0.042 1.00 0.00 H new ATOM 0 HG SER A 78 -6.895 14.142 -1.553 1.00 0.00 H new ATOM 1202 N THR A 79 -8.669 10.608 -1.465 1.00 0.00 N ATOM 1203 CA THR A 79 -10.021 10.067 -1.410 1.00 0.00 C ATOM 1204 C THR A 79 -10.005 8.578 -1.081 1.00 0.00 C ATOM 1205 O THR A 79 -10.806 8.102 -0.277 1.00 0.00 O ATOM 1206 CB THR A 79 -10.766 10.279 -2.742 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.028 9.685 -3.815 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.968 11.761 -3.018 1.00 0.00 C ATOM 0 H THR A 79 -8.268 10.645 -2.402 1.00 0.00 H new ATOM 0 HA THR A 79 -10.544 10.605 -0.620 1.00 0.00 H new ATOM 0 HB THR A 79 -11.744 9.803 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.509 9.822 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.496 11.886 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.555 12.204 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.999 12.256 -3.075 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.088 7.849 -1.708 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.968 6.413 -1.482 1.00 0.00 C ATOM 1218 C ARG A 80 -8.258 6.128 -0.162 1.00 0.00 C ATOM 1219 O ARG A 80 -8.097 4.972 0.231 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.208 5.756 -2.635 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.327 6.508 -3.950 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.065 5.597 -5.139 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.436 6.226 -6.404 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.692 6.392 -6.802 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.693 5.977 -6.038 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.950 6.974 -7.966 1.00 0.00 N ATOM 0 H ARG A 80 -8.417 8.228 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.973 5.993 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.155 5.676 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.580 4.741 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.324 6.940 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.619 7.336 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.009 5.329 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.627 4.671 -5.016 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.689 6.556 -7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.499 5.529 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.657 6.106 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.183 7.295 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.915 7.101 -8.270 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.835 7.188 0.517 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.141 7.053 1.793 1.00 0.00 C ATOM 1242 C LEU A 81 -8.086 7.325 2.959 1.00 0.00 C ATOM 1243 O LEU A 81 -8.915 8.232 2.901 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.950 8.011 1.853 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.858 7.791 0.805 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.826 8.906 0.868 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.195 6.436 1.003 1.00 0.00 C ATOM 0 H LEU A 81 -7.960 8.151 0.205 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.779 6.028 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.323 9.030 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.497 7.935 2.842 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.319 7.807 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.057 8.733 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.312 9.863 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.368 8.923 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.421 6.296 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.747 6.392 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.942 5.648 0.907 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.954 6.533 4.019 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.802 6.706 5.184 1.00 0.00 C ATOM 1261 C GLY A 82 -8.057 6.466 6.483 1.00 0.00 C ATOM 1262 O GLY A 82 -6.927 5.977 6.479 1.00 0.00 O ATOM 0 H GLY A 82 -7.275 5.775 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.212 7.716 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.646 6.020 5.120 1.00 0.00 H new ATOM 1266 N THR A 83 -8.691 6.814 7.599 1.00 0.00 N ATOM 1267 CA THR A 83 -8.081 6.638 8.910 1.00 0.00 C ATOM 1268 C THR A 83 -7.939 5.160 9.256 1.00 0.00 C ATOM 1269 O THR A 83 -8.933 4.450 9.413 1.00 0.00 O ATOM 1270 CB THR A 83 -8.903 7.334 10.011 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.374 8.602 9.542 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.069 7.530 11.268 1.00 0.00 C ATOM 0 H THR A 83 -9.627 7.219 7.620 1.00 0.00 H new ATOM 0 HA THR A 83 -7.092 7.094 8.862 1.00 0.00 H new ATOM 0 HB THR A 83 -9.754 6.698 10.255 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.897 9.038 10.247 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.671 8.023 12.031 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.737 6.560 11.639 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.201 8.147 11.036 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.697 4.701 9.375 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.425 3.306 9.703 1.00 0.00 C ATOM 1282 C LEU A 84 -6.794 3.006 11.153 1.00 0.00 C ATOM 1283 O LEU A 84 -6.197 3.551 12.081 1.00 0.00 O ATOM 1284 CB LEU A 84 -4.949 2.984 9.464 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.440 1.677 10.073 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.220 0.493 9.523 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -2.951 1.509 9.805 1.00 0.00 C ATOM 0 H LEU A 84 -5.863 5.275 9.249 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.037 2.680 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.774 2.953 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.350 3.804 9.861 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.593 1.716 11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.844 -0.428 9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.276 0.609 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.100 0.449 8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.605 0.574 10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.775 1.491 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.405 2.342 10.248 1.00 0.00 H new ATOM 1299 N SER A 85 -7.780 2.135 11.338 1.00 0.00 N ATOM 1300 CA SER A 85 -8.230 1.763 12.675 1.00 0.00 C ATOM 1301 C SER A 85 -7.121 1.051 13.443 1.00 0.00 C ATOM 1302 O SER A 85 -6.321 0.304 12.879 1.00 0.00 O ATOM 1303 CB SER A 85 -9.464 0.863 12.588 1.00 0.00 C ATOM 1304 OG SER A 85 -9.843 0.391 13.870 1.00 0.00 O ATOM 0 H SER A 85 -8.283 1.674 10.580 1.00 0.00 H new ATOM 0 HA SER A 85 -8.491 2.676 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.291 1.416 12.142 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.256 0.017 11.933 1.00 0.00 H new ATOM 0 HG SER A 85 -10.635 -0.180 13.787 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.070 1.288 14.762 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.064 0.679 15.638 1.00 0.00 C ATOM 1312 C PRO A 86 -6.281 -0.820 15.815 1.00 0.00 C ATOM 1313 O PRO A 86 -5.368 -1.546 16.206 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.263 1.409 16.968 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.681 1.866 16.941 1.00 0.00 C ATOM 1316 CD PRO A 86 -7.992 2.167 15.501 1.00 0.00 C ATOM 0 HA PRO A 86 -5.057 0.774 15.231 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.076 0.748 17.814 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.577 2.251 17.064 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.347 1.096 17.331 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.818 2.751 17.563 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.033 1.950 15.261 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.822 3.217 15.264 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.495 -1.276 15.525 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.830 -2.689 15.651 1.00 0.00 C ATOM 1326 C ALA A 87 -7.282 -3.490 14.474 1.00 0.00 C ATOM 1327 O ALA A 87 -6.914 -4.656 14.622 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.337 -2.867 15.756 1.00 0.00 C ATOM 0 H ALA A 87 -8.263 -0.688 15.201 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.366 -3.067 16.562 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.573 -3.927 15.850 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.706 -2.335 16.633 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.814 -2.467 14.861 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.230 -2.857 13.307 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.728 -3.512 12.104 1.00 0.00 C ATOM 1336 C PHE A 88 -5.323 -3.023 11.766 1.00 0.00 C ATOM 1337 O PHE A 88 -4.650 -3.586 10.902 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.668 -3.252 10.926 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.120 -3.442 11.264 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.568 -4.635 11.806 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.036 -2.427 11.039 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.902 -4.814 12.118 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.371 -2.599 11.349 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.805 -3.794 11.889 1.00 0.00 C ATOM 0 H PHE A 88 -7.529 -1.892 13.168 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.685 -4.584 12.295 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.517 -2.233 10.569 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.404 -3.920 10.106 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.866 -5.435 11.987 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.702 -1.491 10.616 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.238 -5.750 12.540 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.075 -1.800 11.169 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.848 -3.931 12.132 1.00 0.00 H new ATOM 1354 N SER A 89 -4.887 -1.972 12.452 1.00 0.00 N ATOM 1355 CA SER A 89 -3.563 -1.404 12.222 1.00 0.00 C ATOM 1356 C SER A 89 -2.482 -2.471 12.363 1.00 0.00 C ATOM 1357 O SER A 89 -2.582 -3.367 13.202 1.00 0.00 O ATOM 1358 CB SER A 89 -3.299 -0.260 13.202 1.00 0.00 C ATOM 1359 OG SER A 89 -3.291 -0.727 14.540 1.00 0.00 O ATOM 0 H SER A 89 -5.431 -1.496 13.172 1.00 0.00 H new ATOM 0 HA SER A 89 -3.533 -1.015 11.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.342 0.208 12.971 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.065 0.507 13.086 1.00 0.00 H new ATOM 0 HG SER A 89 -3.746 -1.594 14.587 1.00 0.00 H new ATOM 1365 N THR A 90 -1.446 -2.368 11.536 1.00 0.00 N ATOM 1366 CA THR A 90 -0.346 -3.324 11.567 1.00 0.00 C ATOM 1367 C THR A 90 0.133 -3.564 12.994 1.00 0.00 C ATOM 1368 O THR A 90 0.781 -4.571 13.279 1.00 0.00 O ATOM 1369 CB THR A 90 0.842 -2.840 10.713 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.901 -3.803 10.757 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.352 -1.495 11.208 1.00 0.00 C ATOM 0 H THR A 90 -1.346 -1.632 10.837 1.00 0.00 H new ATOM 0 HA THR A 90 -0.726 -4.258 11.152 1.00 0.00 H new ATOM 0 HB THR A 90 0.499 -2.724 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.546 -4.690 10.539 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.190 -1.174 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.552 -0.757 11.146 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.680 -1.589 12.243 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.190 -2.634 13.887 1.00 0.00 N ATOM 1380 CA ARG A 91 0.209 -2.746 15.284 1.00 0.00 C ATOM 1381 C ARG A 91 -0.079 -4.145 15.822 1.00 0.00 C ATOM 1382 O ARG A 91 0.560 -4.600 16.770 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.523 -1.702 16.130 1.00 0.00 C ATOM 1384 CG ARG A 91 0.123 -0.327 16.095 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.900 0.775 16.319 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.411 2.076 15.868 1.00 0.00 N ATOM 1387 CZ ARG A 91 0.534 2.764 16.498 1.00 0.00 C ATOM 1388 NH1 ARG A 91 1.089 2.279 17.600 1.00 0.00 N ATOM 1389 NH2 ARG A 91 0.925 3.941 16.026 1.00 0.00 N ATOM 0 H ARG A 91 -0.727 -1.795 13.667 1.00 0.00 H new ATOM 0 HA ARG A 91 1.282 -2.566 15.345 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.552 -1.620 15.780 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.565 -2.048 17.163 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.897 -0.268 16.861 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.614 -0.179 15.133 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.820 0.529 15.788 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.149 0.829 17.379 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.818 2.478 15.023 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.790 1.375 17.966 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.815 2.810 18.082 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.500 4.318 15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.651 4.469 16.510 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.045 -4.821 15.209 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.418 -6.168 15.625 1.00 0.00 C ATOM 1405 C VAL A 92 -0.773 -7.218 14.727 1.00 0.00 C ATOM 1406 O VAL A 92 -0.364 -8.283 15.193 1.00 0.00 O ATOM 1407 CB VAL A 92 -2.946 -6.359 15.605 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.331 -7.652 16.307 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.640 -5.167 16.247 1.00 0.00 C ATOM 0 H VAL A 92 -1.584 -4.458 14.423 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.057 -6.296 16.646 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.273 -6.425 14.567 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.414 -7.770 16.283 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.863 -8.495 15.799 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.992 -7.619 17.343 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.719 -5.319 16.224 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.309 -5.067 17.281 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.389 -4.260 15.696 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.686 -6.913 13.437 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.090 -7.830 12.472 1.00 0.00 C ATOM 1421 C LEU A 93 1.111 -7.191 11.783 1.00 0.00 C ATOM 1422 O LEU A 93 1.087 -6.023 11.396 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.128 -8.249 11.429 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.803 -9.509 10.627 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.866 -10.740 11.519 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.755 -9.652 9.449 1.00 0.00 C ATOM 0 H LEU A 93 -1.021 -6.037 13.035 1.00 0.00 H new ATOM 0 HA LEU A 93 0.252 -8.714 13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.081 -8.401 11.935 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.266 -7.423 10.731 1.00 0.00 H new ATOM 0 HG LEU A 93 0.211 -9.418 10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.632 -11.628 10.931 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.143 -10.640 12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.868 -10.836 11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.509 -10.554 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.779 -9.720 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.660 -8.784 8.797 1.00 0.00 H new ATOM 1438 N PRO A 94 2.188 -7.975 11.624 1.00 0.00 N ATOM 1439 CA PRO A 94 3.419 -7.507 10.979 1.00 0.00 C ATOM 1440 C PRO A 94 3.239 -7.284 9.481 1.00 0.00 C ATOM 1441 O PRO A 94 2.547 -8.048 8.809 1.00 0.00 O ATOM 1442 CB PRO A 94 4.408 -8.647 11.234 1.00 0.00 C ATOM 1443 CG PRO A 94 3.556 -9.856 11.411 1.00 0.00 C ATOM 1444 CD PRO A 94 2.288 -9.377 12.062 1.00 0.00 C ATOM 0 HA PRO A 94 3.745 -6.545 11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.097 -8.767 10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.013 -8.456 12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.347 -10.330 10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.057 -10.599 12.032 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.426 -9.961 11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.339 -9.456 13.148 1.00 0.00 H new ATOM 1452 N ALA A 95 3.866 -6.232 8.965 1.00 0.00 N ATOM 1453 CA ALA A 95 3.777 -5.910 7.546 1.00 0.00 C ATOM 1454 C ALA A 95 4.319 -7.049 6.689 1.00 0.00 C ATOM 1455 O ALA A 95 5.524 -7.299 6.665 1.00 0.00 O ATOM 1456 CB ALA A 95 4.527 -4.620 7.249 1.00 0.00 C ATOM 0 H ALA A 95 4.441 -5.588 9.508 1.00 0.00 H new ATOM 0 HA ALA A 95 2.725 -5.771 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.452 -4.392 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.091 -3.805 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.576 -4.738 7.522 1.00 0.00 H new ATOM 1462 N GLN A 96 3.423 -7.735 5.989 1.00 0.00 N ATOM 1463 CA GLN A 96 3.813 -8.849 5.132 1.00 0.00 C ATOM 1464 C GLN A 96 4.552 -8.351 3.895 1.00 0.00 C ATOM 1465 O GLN A 96 5.089 -9.142 3.120 1.00 0.00 O ATOM 1466 CB GLN A 96 2.581 -9.654 4.714 1.00 0.00 C ATOM 1467 CG GLN A 96 1.680 -10.035 5.878 1.00 0.00 C ATOM 1468 CD GLN A 96 2.310 -11.068 6.791 1.00 0.00 C ATOM 1469 OE1 GLN A 96 2.715 -12.143 6.346 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.398 -10.748 8.076 1.00 0.00 N ATOM 0 H GLN A 96 2.422 -7.540 5.998 1.00 0.00 H new ATOM 0 HA GLN A 96 4.484 -9.493 5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.005 -9.073 3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.906 -10.561 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.442 -9.142 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.738 -10.424 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.050 -9.846 8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.814 -11.404 8.738 1.00 0.00 H new ATOM 1479 N ALA A 97 4.576 -7.034 3.716 1.00 0.00 N ATOM 1480 CA ALA A 97 5.251 -6.430 2.574 1.00 0.00 C ATOM 1481 C ALA A 97 6.729 -6.804 2.549 1.00 0.00 C ATOM 1482 O ALA A 97 7.340 -7.035 3.594 1.00 0.00 O ATOM 1483 CB ALA A 97 5.087 -4.918 2.603 1.00 0.00 C ATOM 0 H ALA A 97 4.136 -6.365 4.348 1.00 0.00 H new ATOM 0 HA ALA A 97 4.790 -6.817 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.596 -4.480 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.027 -4.666 2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.520 -4.523 3.522 1.00 0.00 H new