USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 682 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 80 LYS NZ :NH3+ 134:sc= -0.554 (180deg=-2.18!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 164:sc= -1.33! (180deg=-1.5!) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.75! K(o=-0.97!,f=-1.8) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= -0.218 F(o=-1.7,f=-0.97) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.128) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.658 F(o=-1.4,f=-0.66) USER MOD Single : A 30 HIS : no HD1:sc= -1.98 K(o=-2,f=-4!) USER MOD Single : A 33 GLN : amide:sc= 0.0628 X(o=0.063,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0333 F(o=-0.55,f=-0.033) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 54 ASN : amide:sc= -0.798 K(o=-0.8,f=-4.6) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 79:sc= 0.868 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 65 SER OG : rot -130:sc= -1.72! USER MOD Single : A 67 HIS : no HD1:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 13:sc= 0.157 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N GLY A 11 -10.704 1.940 -5.562 1.00 0.00 N ATOM 132 CA GLY A 11 -9.365 2.300 -5.116 1.00 0.00 C ATOM 133 C GLY A 11 -8.604 3.093 -6.162 1.00 0.00 C ATOM 134 O GLY A 11 -9.183 3.501 -7.171 1.00 0.00 O ATOM 0 HA2 GLY A 11 -9.435 2.885 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.809 1.394 -4.874 1.00 0.00 H new ATOM 138 N ILE A 12 -7.305 3.316 -5.935 1.00 0.00 N ATOM 139 CA ILE A 12 -6.496 4.068 -6.884 1.00 0.00 C ATOM 140 C ILE A 12 -5.732 3.136 -7.818 1.00 0.00 C ATOM 141 O ILE A 12 -5.339 2.033 -7.432 1.00 0.00 O ATOM 142 CB ILE A 12 -5.493 4.992 -6.169 1.00 0.00 C ATOM 143 CG1 ILE A 12 -4.497 4.160 -5.347 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.231 6.008 -5.306 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.574 4.378 -3.849 1.00 0.00 C ATOM 0 H ILE A 12 -6.801 2.988 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.186 4.678 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.923 5.547 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.667 3.104 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.486 4.392 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.509 6.654 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.885 6.612 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.828 5.485 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.835 3.750 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.372 5.425 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.571 4.116 -3.494 1.00 0.00 H new ATOM 157 N SER A 13 -5.523 3.596 -9.045 1.00 0.00 N ATOM 158 CA SER A 13 -4.802 2.822 -10.049 1.00 0.00 C ATOM 159 C SER A 13 -3.299 2.915 -9.823 1.00 0.00 C ATOM 160 O SER A 13 -2.804 3.931 -9.325 1.00 0.00 O ATOM 161 CB SER A 13 -5.131 3.345 -11.446 1.00 0.00 C ATOM 162 OG SER A 13 -4.959 2.336 -12.426 1.00 0.00 O ATOM 0 H SER A 13 -5.845 4.507 -9.371 1.00 0.00 H new ATOM 0 HA SER A 13 -5.111 1.780 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.159 3.706 -11.469 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.490 4.195 -11.679 1.00 0.00 H new ATOM 0 HG SER A 13 -5.178 2.698 -13.310 1.00 0.00 H new ATOM 168 N VAL A 14 -2.566 1.873 -10.225 1.00 0.00 N ATOM 169 CA VAL A 14 -1.113 1.880 -10.093 1.00 0.00 C ATOM 170 C VAL A 14 -0.532 2.997 -10.962 1.00 0.00 C ATOM 171 O VAL A 14 0.577 3.480 -10.721 1.00 0.00 O ATOM 172 CB VAL A 14 -0.479 0.533 -10.496 1.00 0.00 C ATOM 173 CG1 VAL A 14 -0.792 0.200 -11.947 1.00 0.00 C ATOM 174 CG2 VAL A 14 1.025 0.563 -10.254 1.00 0.00 C ATOM 0 H VAL A 14 -2.952 1.025 -10.639 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.879 2.049 -9.042 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.910 -0.252 -9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.334 -0.754 -12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.872 0.133 -12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.394 0.982 -12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.459 -0.394 -10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.473 1.359 -10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.220 0.746 -9.197 1.00 0.00 H new ATOM 184 N ASN A 15 -1.316 3.413 -11.966 1.00 0.00 N ATOM 185 CA ASN A 15 -0.931 4.484 -12.870 1.00 0.00 C ATOM 186 C ASN A 15 -0.532 5.731 -12.086 1.00 0.00 C ATOM 187 O ASN A 15 0.377 6.460 -12.482 1.00 0.00 O ATOM 188 CB ASN A 15 -2.100 4.821 -13.789 1.00 0.00 C ATOM 189 CG ASN A 15 -1.657 5.307 -15.154 1.00 0.00 C ATOM 190 OD1 ASN A 15 -1.099 4.546 -15.943 1.00 0.00 O ATOM 191 ND2 ASN A 15 -1.907 6.580 -15.443 1.00 0.00 N ATOM 0 H ASN A 15 -2.232 3.012 -12.167 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.078 4.150 -13.460 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.727 3.938 -13.910 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.716 5.587 -13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.634 6.960 -16.349 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.372 7.176 -14.759 1.00 0.00 H new ATOM 198 N ASP A 16 -1.228 5.960 -10.968 1.00 0.00 N ATOM 199 CA ASP A 16 -0.966 7.106 -10.108 1.00 0.00 C ATOM 200 C ASP A 16 0.493 7.098 -9.644 1.00 0.00 C ATOM 201 O ASP A 16 0.907 6.229 -8.876 1.00 0.00 O ATOM 202 CB ASP A 16 -1.928 7.078 -8.913 1.00 0.00 C ATOM 203 CG ASP A 16 -1.949 8.378 -8.128 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.864 8.897 -7.798 1.00 0.00 O ATOM 205 OD2 ASP A 16 -3.058 8.875 -7.840 1.00 0.00 O ATOM 0 H ASP A 16 -1.983 5.358 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.132 8.027 -10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.935 6.861 -9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.645 6.264 -8.246 1.00 0.00 H new ATOM 210 N PRO A 17 1.296 8.067 -10.132 1.00 0.00 N ATOM 211 CA PRO A 17 2.726 8.179 -9.800 1.00 0.00 C ATOM 212 C PRO A 17 3.000 8.361 -8.309 1.00 0.00 C ATOM 213 O PRO A 17 4.061 7.969 -7.826 1.00 0.00 O ATOM 214 CB PRO A 17 3.188 9.420 -10.574 1.00 0.00 C ATOM 215 CG PRO A 17 1.938 10.165 -10.896 1.00 0.00 C ATOM 216 CD PRO A 17 0.875 9.124 -11.067 1.00 0.00 C ATOM 0 HA PRO A 17 3.254 7.263 -10.065 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.866 10.028 -9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.726 9.142 -11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.680 10.860 -10.097 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.057 10.755 -11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.113 9.512 -10.820 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.827 8.760 -12.093 1.00 0.00 H new ATOM 224 N ARG A 18 2.050 8.947 -7.585 1.00 0.00 N ATOM 225 CA ARG A 18 2.209 9.165 -6.152 1.00 0.00 C ATOM 226 C ARG A 18 1.967 7.866 -5.396 1.00 0.00 C ATOM 227 O ARG A 18 2.717 7.508 -4.492 1.00 0.00 O ATOM 228 CB ARG A 18 1.242 10.244 -5.660 1.00 0.00 C ATOM 229 CG ARG A 18 1.515 11.620 -6.244 1.00 0.00 C ATOM 230 CD ARG A 18 0.839 11.799 -7.594 1.00 0.00 C ATOM 231 NE ARG A 18 -0.261 12.761 -7.544 1.00 0.00 N ATOM 232 CZ ARG A 18 -0.109 14.084 -7.640 1.00 0.00 C ATOM 233 NH1 ARG A 18 1.101 14.618 -7.783 1.00 0.00 N ATOM 234 NH2 ARG A 18 -1.174 14.877 -7.588 1.00 0.00 N ATOM 0 H ARG A 18 1.164 9.278 -7.967 1.00 0.00 H new ATOM 0 HA ARG A 18 3.229 9.502 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.223 9.948 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.299 10.302 -4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.160 12.386 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.590 11.763 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.576 12.132 -8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.461 10.836 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.207 12.397 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.923 14.015 -7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.207 15.630 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.104 14.475 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.061 15.888 -7.661 1.00 0.00 H new ATOM 248 N VAL A 19 0.912 7.162 -5.791 1.00 0.00 N ATOM 249 CA VAL A 19 0.544 5.894 -5.180 1.00 0.00 C ATOM 250 C VAL A 19 1.653 4.852 -5.356 1.00 0.00 C ATOM 251 O VAL A 19 2.028 4.172 -4.403 1.00 0.00 O ATOM 252 CB VAL A 19 -0.772 5.355 -5.792 1.00 0.00 C ATOM 253 CG1 VAL A 19 -1.043 3.925 -5.343 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.943 6.251 -5.432 1.00 0.00 C ATOM 0 H VAL A 19 0.289 7.456 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 19 0.399 6.074 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.656 5.355 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.974 3.574 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.223 3.282 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.127 3.894 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.856 5.851 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.051 6.291 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.764 7.255 -5.816 1.00 0.00 H new ATOM 264 N LYS A 20 2.163 4.729 -6.582 1.00 0.00 N ATOM 265 CA LYS A 20 3.217 3.759 -6.895 1.00 0.00 C ATOM 266 C LYS A 20 4.519 4.040 -6.138 1.00 0.00 C ATOM 267 O LYS A 20 5.183 3.111 -5.672 1.00 0.00 O ATOM 268 CB LYS A 20 3.491 3.752 -8.403 1.00 0.00 C ATOM 269 CG LYS A 20 3.807 5.127 -8.970 1.00 0.00 C ATOM 270 CD LYS A 20 5.300 5.323 -9.173 1.00 0.00 C ATOM 271 CE LYS A 20 5.786 4.671 -10.459 1.00 0.00 C ATOM 272 NZ LYS A 20 7.111 5.201 -10.885 1.00 0.00 N ATOM 0 H LYS A 20 1.863 5.291 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 20 2.857 2.782 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.326 3.082 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.622 3.346 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.291 5.256 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.428 5.895 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.527 6.389 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.840 4.902 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.856 3.593 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.056 4.841 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.406 4.731 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.039 6.226 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.814 5.017 -10.141 1.00 0.00 H new ATOM 286 N GLU A 21 4.885 5.316 -6.021 1.00 0.00 N ATOM 287 CA GLU A 21 6.113 5.692 -5.333 1.00 0.00 C ATOM 288 C GLU A 21 5.953 5.568 -3.827 1.00 0.00 C ATOM 289 O GLU A 21 6.839 5.062 -3.136 1.00 0.00 O ATOM 290 CB GLU A 21 6.528 7.115 -5.714 1.00 0.00 C ATOM 291 CG GLU A 21 5.549 8.195 -5.286 1.00 0.00 C ATOM 292 CD GLU A 21 6.006 9.580 -5.699 1.00 0.00 C ATOM 293 OE1 GLU A 21 6.908 10.127 -5.034 1.00 0.00 O ATOM 294 OE2 GLU A 21 5.469 10.113 -6.691 1.00 0.00 O ATOM 0 H GLU A 21 4.350 6.101 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 21 6.900 5.006 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.500 7.327 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.654 7.165 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.572 7.991 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.426 8.163 -4.203 1.00 0.00 H new ATOM 301 N ILE A 22 4.813 6.022 -3.325 1.00 0.00 N ATOM 302 CA ILE A 22 4.536 5.951 -1.901 1.00 0.00 C ATOM 303 C ILE A 22 4.435 4.486 -1.449 1.00 0.00 C ATOM 304 O ILE A 22 4.878 4.134 -0.351 1.00 0.00 O ATOM 305 CB ILE A 22 3.264 6.755 -1.539 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.487 8.235 -1.864 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.903 6.596 -0.066 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.208 9.011 -2.080 1.00 0.00 C ATOM 0 H ILE A 22 4.069 6.442 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 22 5.365 6.409 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 22 2.434 6.366 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.048 8.696 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.103 8.312 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.005 7.174 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.720 5.544 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.726 6.956 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.447 10.050 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.655 8.577 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.598 8.966 -1.177 1.00 0.00 H new ATOM 320 N ALA A 23 3.902 3.624 -2.329 1.00 0.00 N ATOM 321 CA ALA A 23 3.801 2.188 -2.046 1.00 0.00 C ATOM 322 C ALA A 23 5.198 1.597 -1.876 1.00 0.00 C ATOM 323 O ALA A 23 5.473 0.881 -0.910 1.00 0.00 O ATOM 324 CB ALA A 23 3.066 1.470 -3.167 1.00 0.00 C ATOM 0 H ALA A 23 3.535 3.898 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 23 3.237 2.053 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.002 0.406 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.061 1.881 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.607 1.607 -4.103 1.00 0.00 H new ATOM 330 N GLU A 24 6.079 1.924 -2.826 1.00 0.00 N ATOM 331 CA GLU A 24 7.468 1.462 -2.803 1.00 0.00 C ATOM 332 C GLU A 24 8.093 1.727 -1.437 1.00 0.00 C ATOM 333 O GLU A 24 8.654 0.823 -0.815 1.00 0.00 O ATOM 334 CB GLU A 24 8.276 2.148 -3.917 1.00 0.00 C ATOM 335 CG GLU A 24 9.195 3.272 -3.450 1.00 0.00 C ATOM 336 CD GLU A 24 9.860 4.004 -4.599 1.00 0.00 C ATOM 337 OE1 GLU A 24 9.232 4.927 -5.158 1.00 0.00 O ATOM 338 OE2 GLU A 24 11.011 3.657 -4.937 1.00 0.00 O ATOM 0 H GLU A 24 5.851 2.513 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 24 7.484 0.387 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.878 1.394 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.581 2.550 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.619 3.983 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.963 2.859 -2.796 1.00 0.00 H new ATOM 345 N PHE A 25 7.971 2.972 -0.972 1.00 0.00 N ATOM 346 CA PHE A 25 8.503 3.360 0.333 1.00 0.00 C ATOM 347 C PHE A 25 7.919 2.473 1.428 1.00 0.00 C ATOM 348 O PHE A 25 8.611 2.114 2.378 1.00 0.00 O ATOM 349 CB PHE A 25 8.188 4.828 0.643 1.00 0.00 C ATOM 350 CG PHE A 25 8.893 5.351 1.868 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.405 5.083 3.141 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.043 6.114 1.746 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.053 5.565 4.262 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.694 6.597 2.865 1.00 0.00 C ATOM 355 CZ PHE A 25 10.198 6.321 4.123 1.00 0.00 C ATOM 0 H PHE A 25 7.509 3.727 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 25 9.585 3.234 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.467 5.440 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.112 4.939 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.509 4.491 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.435 6.334 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.663 5.350 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.590 7.190 2.755 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.706 6.697 4.998 1.00 0.00 H new ATOM 365 N ALA A 26 6.639 2.124 1.282 1.00 0.00 N ATOM 366 CA ALA A 26 5.955 1.277 2.260 1.00 0.00 C ATOM 367 C ALA A 26 6.666 -0.065 2.452 1.00 0.00 C ATOM 368 O ALA A 26 6.901 -0.492 3.584 1.00 0.00 O ATOM 369 CB ALA A 26 4.505 1.058 1.848 1.00 0.00 C ATOM 0 H ALA A 26 6.056 2.415 0.497 1.00 0.00 H new ATOM 0 HA ALA A 26 5.979 1.797 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.009 0.426 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.994 2.019 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.473 0.572 0.873 1.00 0.00 H new ATOM 375 N LEU A 27 7.003 -0.727 1.344 1.00 0.00 N ATOM 376 CA LEU A 27 7.681 -2.025 1.399 1.00 0.00 C ATOM 377 C LEU A 27 9.106 -1.900 1.956 1.00 0.00 C ATOM 378 O LEU A 27 9.537 -2.730 2.758 1.00 0.00 O ATOM 379 CB LEU A 27 7.704 -2.675 0.003 1.00 0.00 C ATOM 380 CG LEU A 27 8.931 -3.532 -0.318 1.00 0.00 C ATOM 381 CD1 LEU A 27 8.993 -4.743 0.603 1.00 0.00 C ATOM 382 CD2 LEU A 27 8.901 -3.968 -1.776 1.00 0.00 C ATOM 0 H LEU A 27 6.819 -0.388 0.400 1.00 0.00 H new ATOM 0 HA LEU A 27 7.118 -2.664 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.814 -3.296 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.631 -1.885 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 27 9.827 -2.933 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.872 -5.340 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.056 -4.410 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.096 -5.347 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.779 -4.577 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.000 -4.552 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.903 -3.088 -2.419 1.00 0.00 H new ATOM 394 N LYS A 28 9.839 -0.877 1.513 1.00 0.00 N ATOM 395 CA LYS A 28 11.221 -0.670 1.955 1.00 0.00 C ATOM 396 C LYS A 28 11.322 -0.113 3.385 1.00 0.00 C ATOM 397 O LYS A 28 12.384 -0.202 4.003 1.00 0.00 O ATOM 398 CB LYS A 28 11.961 0.250 0.978 1.00 0.00 C ATOM 399 CG LYS A 28 11.448 1.679 0.963 1.00 0.00 C ATOM 400 CD LYS A 28 12.575 2.667 0.716 1.00 0.00 C ATOM 401 CE LYS A 28 12.046 4.075 0.505 1.00 0.00 C ATOM 402 NZ LYS A 28 11.766 4.362 -0.930 1.00 0.00 N ATOM 0 H LYS A 28 9.500 -0.180 0.850 1.00 0.00 H new ATOM 0 HA LYS A 28 11.693 -1.653 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.020 0.258 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.880 -0.164 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.690 1.787 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.966 1.905 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.260 2.658 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.146 2.357 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.133 4.209 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.772 4.795 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.988 5.048 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.618 4.756 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.496 3.482 -1.414 1.00 0.00 H new ATOM 416 N GLN A 29 10.234 0.459 3.914 1.00 0.00 N ATOM 417 CA GLN A 29 10.247 1.013 5.267 1.00 0.00 C ATOM 418 C GLN A 29 10.095 -0.096 6.314 1.00 0.00 C ATOM 419 O GLN A 29 10.749 -0.066 7.357 1.00 0.00 O ATOM 420 CB GLN A 29 9.124 2.038 5.423 1.00 0.00 C ATOM 421 CG GLN A 29 9.459 3.192 6.361 1.00 0.00 C ATOM 422 CD GLN A 29 9.987 2.739 7.711 1.00 0.00 C ATOM 423 OE1 GLN A 29 9.152 2.048 8.478 1.00 0.00 O flip ATOM 424 NE2 GLN A 29 11.134 3.011 8.062 1.00 0.00 N flip ATOM 0 H GLN A 29 9.342 0.549 3.428 1.00 0.00 H new ATOM 0 HA GLN A 29 11.207 1.505 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.877 2.442 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.233 1.531 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.201 3.833 5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.566 3.798 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.744 3.544 7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.475 2.703 8.973 1.00 0.00 H new ATOM 433 N HIS A 30 9.244 -1.082 6.018 1.00 0.00 N ATOM 434 CA HIS A 30 9.023 -2.208 6.922 1.00 0.00 C ATOM 435 C HIS A 30 9.741 -3.449 6.408 1.00 0.00 C ATOM 436 O HIS A 30 9.503 -3.893 5.284 1.00 0.00 O ATOM 437 CB HIS A 30 7.537 -2.504 7.077 1.00 0.00 C ATOM 438 CG HIS A 30 7.180 -2.974 8.451 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.378 -2.258 9.313 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.537 -4.095 9.115 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.257 -2.920 10.449 1.00 0.00 C ATOM 442 NE2 HIS A 30 6.950 -4.039 10.355 1.00 0.00 N ATOM 0 H HIS A 30 8.697 -1.121 5.158 1.00 0.00 H new ATOM 0 HA HIS A 30 9.426 -1.936 7.898 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.966 -1.605 6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.245 -3.263 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.167 -4.888 8.740 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.688 -2.600 11.309 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.036 -4.747 11.084 1.00 0.00 H new ATOM 451 N ALA A 31 10.625 -3.998 7.234 1.00 0.00 N ATOM 452 CA ALA A 31 11.389 -5.186 6.862 1.00 0.00 C ATOM 453 C ALA A 31 12.122 -5.783 8.066 1.00 0.00 C ATOM 454 O ALA A 31 13.290 -6.162 7.972 1.00 0.00 O ATOM 455 CB ALA A 31 12.369 -4.840 5.752 1.00 0.00 C ATOM 0 H ALA A 31 10.831 -3.640 8.167 1.00 0.00 H new ATOM 0 HA ALA A 31 10.692 -5.942 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.937 -5.729 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.821 -4.477 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.053 -4.065 6.099 1.00 0.00 H new ATOM 461 N GLU A 32 11.421 -5.862 9.195 1.00 0.00 N ATOM 462 CA GLU A 32 11.989 -6.408 10.425 1.00 0.00 C ATOM 463 C GLU A 32 12.176 -7.925 10.326 1.00 0.00 C ATOM 464 O GLU A 32 13.160 -8.471 10.826 1.00 0.00 O ATOM 465 CB GLU A 32 11.092 -6.029 11.615 1.00 0.00 C ATOM 466 CG GLU A 32 10.594 -7.200 12.454 1.00 0.00 C ATOM 467 CD GLU A 32 9.155 -7.028 12.899 1.00 0.00 C ATOM 468 OE1 GLU A 32 8.808 -5.933 13.391 1.00 0.00 O ATOM 469 OE2 GLU A 32 8.373 -7.989 12.753 1.00 0.00 O ATOM 0 H GLU A 32 10.453 -5.553 9.283 1.00 0.00 H new ATOM 0 HA GLU A 32 12.978 -5.977 10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.644 -5.348 12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.229 -5.480 11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.684 -8.120 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.231 -7.310 13.332 1.00 0.00 H new ATOM 476 N GLN A 33 11.225 -8.592 9.675 1.00 0.00 N ATOM 477 CA GLN A 33 11.277 -10.050 9.503 1.00 0.00 C ATOM 478 C GLN A 33 11.747 -10.444 8.092 1.00 0.00 C ATOM 479 O GLN A 33 11.842 -11.632 7.781 1.00 0.00 O ATOM 480 CB GLN A 33 9.911 -10.689 9.801 1.00 0.00 C ATOM 481 CG GLN A 33 8.742 -9.717 9.773 1.00 0.00 C ATOM 482 CD GLN A 33 7.401 -10.409 9.908 1.00 0.00 C ATOM 483 OE1 GLN A 33 6.969 -11.128 9.007 1.00 0.00 O ATOM 484 NE2 GLN A 33 6.731 -10.193 11.035 1.00 0.00 N ATOM 0 H GLN A 33 10.407 -8.149 9.256 1.00 0.00 H new ATOM 0 HA GLN A 33 12.007 -10.429 10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.727 -11.480 9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.951 -11.162 10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.856 -8.995 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.764 -9.156 8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.127 -9.590 11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.821 -10.631 11.179 1.00 0.00 H new ATOM 493 N ASN A 34 12.058 -9.445 7.252 1.00 0.00 N ATOM 494 CA ASN A 34 12.540 -9.679 5.888 1.00 0.00 C ATOM 495 C ASN A 34 11.497 -10.378 5.003 1.00 0.00 C ATOM 496 O ASN A 34 11.344 -11.600 5.050 1.00 0.00 O ATOM 497 CB ASN A 34 13.841 -10.490 5.925 1.00 0.00 C ATOM 498 CG ASN A 34 14.379 -10.811 4.543 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.153 -11.900 4.014 1.00 0.00 O ATOM 500 ND2 ASN A 34 15.098 -9.864 3.950 1.00 0.00 N ATOM 0 H ASN A 34 11.982 -8.459 7.500 1.00 0.00 H new ATOM 0 HA ASN A 34 12.729 -8.704 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.594 -9.933 6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.668 -11.420 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.487 -10.025 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.261 -8.976 4.424 1.00 0.00 H new ATOM 507 N LEU A 35 10.801 -9.586 4.181 1.00 0.00 N ATOM 508 CA LEU A 35 9.790 -10.102 3.257 1.00 0.00 C ATOM 509 C LEU A 35 9.854 -9.353 1.927 1.00 0.00 C ATOM 510 O LEU A 35 10.398 -8.249 1.855 1.00 0.00 O ATOM 511 CB LEU A 35 8.392 -10.011 3.882 1.00 0.00 C ATOM 512 CG LEU A 35 7.636 -8.697 3.659 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.258 -8.968 3.076 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.513 -7.923 4.962 1.00 0.00 C ATOM 0 H LEU A 35 10.923 -8.574 4.138 1.00 0.00 H new ATOM 0 HA LEU A 35 9.998 -11.154 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.786 -10.826 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.485 -10.175 4.956 1.00 0.00 H new ATOM 0 HG LEU A 35 8.202 -8.093 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.735 -8.024 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.362 -9.483 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.688 -9.592 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.973 -6.993 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.970 -8.523 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.508 -7.697 5.346 1.00 0.00 H new ATOM 526 N ILE A 36 9.333 -9.974 0.868 1.00 0.00 N ATOM 527 CA ILE A 36 9.379 -9.374 -0.464 1.00 0.00 C ATOM 528 C ILE A 36 7.989 -9.071 -1.010 1.00 0.00 C ATOM 529 O ILE A 36 7.148 -9.961 -1.100 1.00 0.00 O ATOM 530 CB ILE A 36 10.096 -10.311 -1.456 1.00 0.00 C ATOM 531 CG1 ILE A 36 10.931 -11.361 -0.710 1.00 0.00 C ATOM 532 CG2 ILE A 36 10.956 -9.507 -2.418 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.381 -12.507 -1.587 1.00 0.00 C ATOM 0 H ILE A 36 8.877 -10.886 0.907 1.00 0.00 H new ATOM 0 HA ILE A 36 9.926 -8.437 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 36 9.342 -10.841 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.808 -10.877 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.345 -11.757 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.455 -10.183 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.327 -8.814 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.703 -8.946 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.966 -13.211 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.509 -13.015 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.994 -12.122 -2.402 1.00 0.00 H new ATOM 545 N LEU A 37 7.763 -7.815 -1.399 1.00 0.00 N ATOM 546 CA LEU A 37 6.479 -7.413 -1.959 1.00 0.00 C ATOM 547 C LEU A 37 6.447 -7.654 -3.466 1.00 0.00 C ATOM 548 O LEU A 37 7.256 -7.100 -4.212 1.00 0.00 O ATOM 549 CB LEU A 37 6.194 -5.942 -1.668 1.00 0.00 C ATOM 550 CG LEU A 37 4.773 -5.489 -2.001 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.892 -5.536 -0.761 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.787 -4.094 -2.603 1.00 0.00 C ATOM 0 H LEU A 37 8.451 -7.065 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 37 5.707 -8.020 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.383 -5.751 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.898 -5.331 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 37 4.355 -6.174 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.884 -5.210 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.857 -6.556 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.303 -4.876 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.767 -3.787 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.224 -3.394 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.381 -4.098 -3.517 1.00 0.00 H new ATOM 564 N ALA A 38 5.498 -8.475 -3.903 1.00 0.00 N ATOM 565 CA ALA A 38 5.335 -8.792 -5.315 1.00 0.00 C ATOM 566 C ALA A 38 4.912 -7.558 -6.104 1.00 0.00 C ATOM 567 O ALA A 38 5.314 -7.390 -7.256 1.00 0.00 O ATOM 568 CB ALA A 38 4.321 -9.913 -5.494 1.00 0.00 C ATOM 0 H ALA A 38 4.824 -8.936 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 38 6.297 -9.128 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.211 -10.138 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.666 -10.803 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.359 -9.602 -5.087 1.00 0.00 H new ATOM 574 N GLY A 39 4.108 -6.688 -5.481 1.00 0.00 N ATOM 575 CA GLY A 39 3.675 -5.480 -6.168 1.00 0.00 C ATOM 576 C GLY A 39 2.364 -4.908 -5.655 1.00 0.00 C ATOM 577 O GLY A 39 1.591 -5.594 -4.984 1.00 0.00 O ATOM 0 H GLY A 39 3.756 -6.798 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.452 -4.722 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.573 -5.697 -7.231 1.00 0.00 H new ATOM 581 N VAL A 40 2.123 -3.639 -5.993 1.00 0.00 N ATOM 582 CA VAL A 40 0.907 -2.929 -5.596 1.00 0.00 C ATOM 583 C VAL A 40 -0.320 -3.518 -6.300 1.00 0.00 C ATOM 584 O VAL A 40 -0.279 -3.803 -7.497 1.00 0.00 O ATOM 585 CB VAL A 40 1.033 -1.419 -5.930 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.300 -0.690 -5.779 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.108 -0.768 -5.062 1.00 0.00 C ATOM 0 H VAL A 40 2.766 -3.076 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 40 0.780 -3.047 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 40 1.330 -1.337 -6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.168 0.364 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.033 -1.129 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.652 -0.784 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.183 0.291 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.842 -0.877 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.067 -1.253 -5.246 1.00 0.00 H new ATOM 597 N ASP A 41 -1.406 -3.707 -5.546 1.00 0.00 N ATOM 598 CA ASP A 41 -2.638 -4.272 -6.098 1.00 0.00 C ATOM 599 C ASP A 41 -3.759 -3.231 -6.157 1.00 0.00 C ATOM 600 O ASP A 41 -4.205 -2.853 -7.241 1.00 0.00 O ATOM 601 CB ASP A 41 -3.082 -5.478 -5.263 1.00 0.00 C ATOM 602 CG ASP A 41 -2.307 -6.736 -5.605 1.00 0.00 C ATOM 603 OD1 ASP A 41 -1.091 -6.779 -5.325 1.00 0.00 O ATOM 604 OD2 ASP A 41 -2.916 -7.679 -6.153 1.00 0.00 O ATOM 0 H ASP A 41 -1.456 -3.477 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.430 -4.594 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.952 -5.251 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.146 -5.655 -5.423 1.00 0.00 H new ATOM 609 N ALA A 42 -4.211 -2.776 -4.987 1.00 0.00 N ATOM 610 CA ALA A 42 -5.282 -1.781 -4.901 1.00 0.00 C ATOM 611 C ALA A 42 -5.157 -0.976 -3.612 1.00 0.00 C ATOM 612 O ALA A 42 -4.712 -1.505 -2.594 1.00 0.00 O ATOM 613 CB ALA A 42 -6.642 -2.460 -4.976 1.00 0.00 C ATOM 0 H ALA A 42 -3.851 -3.082 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.190 -1.097 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.428 -1.708 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.730 -2.996 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.743 -3.164 -4.150 1.00 0.00 H new ATOM 619 N GLY A 43 -5.533 0.304 -3.654 1.00 0.00 N ATOM 620 CA GLY A 43 -5.420 1.128 -2.465 1.00 0.00 C ATOM 621 C GLY A 43 -6.489 2.189 -2.324 1.00 0.00 C ATOM 622 O GLY A 43 -7.475 2.209 -3.060 1.00 0.00 O ATOM 0 H GLY A 43 -5.907 0.776 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.452 0.482 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.444 1.614 -2.468 1.00 0.00 H new ATOM 626 N GLN A 44 -6.277 3.061 -1.340 1.00 0.00 N ATOM 627 CA GLN A 44 -7.200 4.138 -1.018 1.00 0.00 C ATOM 628 C GLN A 44 -6.452 5.410 -0.622 1.00 0.00 C ATOM 629 O GLN A 44 -5.347 5.346 -0.086 1.00 0.00 O ATOM 630 CB GLN A 44 -8.094 3.684 0.131 1.00 0.00 C ATOM 631 CG GLN A 44 -9.199 2.745 -0.314 1.00 0.00 C ATOM 632 CD GLN A 44 -10.499 3.467 -0.611 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.938 3.414 -1.864 1.00 0.00 O flip ATOM 634 NE2 GLN A 44 -11.105 4.067 0.277 1.00 0.00 N flip ATOM 0 H GLN A 44 -5.452 3.036 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.799 4.367 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.483 3.187 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.538 4.559 0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.876 2.207 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.372 2.000 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.733 4.083 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.979 4.548 0.063 1.00 0.00 H new ATOM 643 N ILE A 45 -7.067 6.562 -0.885 1.00 0.00 N ATOM 644 CA ILE A 45 -6.466 7.852 -0.555 1.00 0.00 C ATOM 645 C ILE A 45 -7.442 8.717 0.246 1.00 0.00 C ATOM 646 O ILE A 45 -8.596 8.896 -0.150 1.00 0.00 O ATOM 647 CB ILE A 45 -6.018 8.596 -1.834 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.866 7.835 -2.494 1.00 0.00 C ATOM 649 CG2 ILE A 45 -5.606 10.033 -1.527 1.00 0.00 C ATOM 650 CD1 ILE A 45 -4.358 8.478 -3.762 1.00 0.00 C ATOM 0 H ILE A 45 -7.984 6.628 -1.327 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.586 7.663 0.059 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.862 8.639 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.043 7.753 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.195 6.820 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.297 10.527 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.450 10.569 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.776 10.030 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.543 7.881 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.167 8.535 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.997 9.483 -3.541 1.00 0.00 H new ATOM 662 N ILE A 46 -6.967 9.249 1.375 1.00 0.00 N ATOM 663 CA ILE A 46 -7.791 10.095 2.238 1.00 0.00 C ATOM 664 C ILE A 46 -7.363 11.553 2.120 1.00 0.00 C ATOM 665 O ILE A 46 -6.229 11.911 2.474 1.00 0.00 O ATOM 666 CB ILE A 46 -7.702 9.662 3.719 1.00 0.00 C ATOM 667 CG1 ILE A 46 -7.894 8.149 3.853 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.736 10.405 4.553 1.00 0.00 C ATOM 669 CD1 ILE A 46 -7.028 7.523 4.923 1.00 0.00 C ATOM 0 H ILE A 46 -6.015 9.108 1.712 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.823 9.983 1.905 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.709 9.915 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.941 7.942 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.673 7.677 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.660 10.089 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.555 11.478 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.735 10.182 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.216 6.450 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.978 7.699 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.265 7.968 5.889 1.00 0.00 H new ATOM 681 N LYS A 47 -8.273 12.383 1.598 1.00 0.00 N ATOM 682 CA LYS A 47 -7.999 13.803 1.402 1.00 0.00 C ATOM 683 C LYS A 47 -9.164 14.700 1.840 1.00 0.00 C ATOM 684 O LYS A 47 -10.304 14.257 1.978 1.00 0.00 O ATOM 685 CB LYS A 47 -7.672 14.073 -0.071 1.00 0.00 C ATOM 686 CG LYS A 47 -8.663 13.452 -1.045 1.00 0.00 C ATOM 687 CD LYS A 47 -8.188 12.091 -1.528 1.00 0.00 C ATOM 688 CE LYS A 47 -8.954 11.629 -2.758 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.187 10.874 -2.399 1.00 0.00 N ATOM 0 H LYS A 47 -9.205 12.091 1.305 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.145 14.050 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.642 15.150 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.675 13.690 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.635 13.349 -0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.800 14.115 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.124 12.138 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.308 11.359 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.223 12.495 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.309 10.999 -3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.678 10.578 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.930 10.033 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.815 11.482 -1.836 1.00 0.00 H new ATOM 703 N GLY A 48 -8.837 15.976 2.020 1.00 0.00 N ATOM 704 CA GLY A 48 -9.800 17.001 2.405 1.00 0.00 C ATOM 705 C GLY A 48 -9.253 18.362 2.023 1.00 0.00 C ATOM 706 O GLY A 48 -9.742 19.010 1.097 1.00 0.00 O ATOM 0 H GLY A 48 -7.888 16.330 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.754 16.826 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.986 16.958 3.478 1.00 0.00 H new ATOM 710 N ILE A 49 -8.176 18.740 2.704 1.00 0.00 N ATOM 711 CA ILE A 49 -7.450 19.971 2.429 1.00 0.00 C ATOM 712 C ILE A 49 -6.024 19.557 2.069 1.00 0.00 C ATOM 713 O ILE A 49 -5.299 19.025 2.913 1.00 0.00 O ATOM 714 CB ILE A 49 -7.460 20.937 3.642 1.00 0.00 C ATOM 715 CG1 ILE A 49 -7.004 22.335 3.217 1.00 0.00 C ATOM 716 CG2 ILE A 49 -6.586 20.407 4.772 1.00 0.00 C ATOM 717 CD1 ILE A 49 -7.978 23.430 3.600 1.00 0.00 C ATOM 0 H ILE A 49 -7.780 18.194 3.469 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.924 20.518 1.614 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.483 21.004 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.035 22.546 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.860 22.349 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.612 21.104 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.960 19.436 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.560 20.301 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.591 24.393 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.941 23.243 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.104 23.443 4.683 1.00 0.00 H new ATOM 729 N PRO A 50 -5.617 19.688 0.795 1.00 0.00 N ATOM 730 CA PRO A 50 -4.309 19.215 0.370 1.00 0.00 C ATOM 731 C PRO A 50 -3.155 20.191 0.536 1.00 0.00 C ATOM 732 O PRO A 50 -3.073 21.227 -0.125 1.00 0.00 O ATOM 733 CB PRO A 50 -4.527 18.894 -1.097 1.00 0.00 C ATOM 734 CG PRO A 50 -5.528 19.911 -1.544 1.00 0.00 C ATOM 735 CD PRO A 50 -6.410 20.197 -0.344 1.00 0.00 C ATOM 0 HA PRO A 50 -3.995 18.379 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.600 18.970 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.901 17.879 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.033 20.819 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.118 19.534 -2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.619 21.262 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.372 19.690 -0.422 1.00 0.00 H new ATOM 743 N HIS A 51 -2.227 19.769 1.376 1.00 0.00 N ATOM 744 CA HIS A 51 -0.983 20.479 1.630 1.00 0.00 C ATOM 745 C HIS A 51 0.162 19.524 1.266 1.00 0.00 C ATOM 746 O HIS A 51 1.271 19.619 1.791 1.00 0.00 O ATOM 747 CB HIS A 51 -0.892 20.906 3.099 1.00 0.00 C ATOM 748 CG HIS A 51 -0.747 22.384 3.289 1.00 0.00 C ATOM 749 ND1 HIS A 51 0.331 22.957 3.928 1.00 0.00 N ATOM 750 CD2 HIS A 51 -1.555 23.409 2.927 1.00 0.00 C ATOM 751 CE1 HIS A 51 0.179 24.269 3.953 1.00 0.00 C ATOM 752 NE2 HIS A 51 -0.957 24.568 3.352 1.00 0.00 N ATOM 0 H HIS A 51 -2.317 18.906 1.912 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.929 21.389 1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.786 20.567 3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.042 20.404 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.495 23.329 2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.867 24.977 4.391 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.330 25.509 3.224 1.00 0.00 H new ATOM 761 N TRP A 52 -0.169 18.567 0.382 1.00 0.00 N ATOM 762 CA TRP A 52 0.740 17.526 -0.071 1.00 0.00 C ATOM 763 C TRP A 52 1.176 16.623 1.084 1.00 0.00 C ATOM 764 O TRP A 52 2.300 16.125 1.119 1.00 0.00 O ATOM 765 CB TRP A 52 1.928 18.096 -0.844 1.00 0.00 C ATOM 766 CG TRP A 52 2.318 17.236 -2.013 1.00 0.00 C ATOM 767 CD1 TRP A 52 3.564 17.124 -2.558 1.00 0.00 C ATOM 768 CD2 TRP A 52 1.465 16.355 -2.776 1.00 0.00 C ATOM 769 NE1 TRP A 52 3.547 16.232 -3.601 1.00 0.00 N ATOM 770 CE2 TRP A 52 2.276 15.746 -3.754 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.099 16.016 -2.731 1.00 0.00 C ATOM 772 CZ2 TRP A 52 1.777 14.821 -4.667 1.00 0.00 C ATOM 773 CZ3 TRP A 52 -0.388 15.097 -3.640 1.00 0.00 C ATOM 774 CH2 TRP A 52 0.449 14.507 -4.594 1.00 0.00 C ATOM 0 H TRP A 52 -1.096 18.503 -0.039 1.00 0.00 H new ATOM 0 HA TRP A 52 0.191 16.900 -0.775 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.680 19.096 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 52 2.780 18.198 -0.172 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.438 17.660 -2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.352 15.973 -4.171 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.556 16.466 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.418 14.367 -5.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.434 14.829 -3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.037 13.789 -5.287 1.00 0.00 H new ATOM 785 N ASP A 53 0.235 16.399 2.004 1.00 0.00 N ATOM 786 CA ASP A 53 0.426 15.530 3.165 1.00 0.00 C ATOM 787 C ASP A 53 -0.647 14.428 3.160 1.00 0.00 C ATOM 788 O ASP A 53 -1.069 13.947 4.214 1.00 0.00 O ATOM 789 CB ASP A 53 0.353 16.349 4.457 1.00 0.00 C ATOM 790 CG ASP A 53 1.246 15.789 5.546 1.00 0.00 C ATOM 791 OD1 ASP A 53 2.455 16.097 5.539 1.00 0.00 O ATOM 792 OD2 ASP A 53 0.736 15.041 6.404 1.00 0.00 O ATOM 0 H ASP A 53 -0.692 16.822 1.962 1.00 0.00 H new ATOM 0 HA ASP A 53 1.411 15.066 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.642 17.379 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.677 16.372 4.812 1.00 0.00 H new ATOM 797 N ASN A 54 -1.113 14.079 1.954 1.00 0.00 N ATOM 798 CA ASN A 54 -2.176 13.087 1.751 1.00 0.00 C ATOM 799 C ASN A 54 -1.966 11.797 2.542 1.00 0.00 C ATOM 800 O ASN A 54 -0.834 11.343 2.728 1.00 0.00 O ATOM 801 CB ASN A 54 -2.302 12.761 0.258 1.00 0.00 C ATOM 802 CG ASN A 54 -3.745 12.705 -0.205 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.576 12.029 0.398 1.00 0.00 O ATOM 804 ND2 ASN A 54 -4.053 13.420 -1.281 1.00 0.00 N ATOM 0 H ASN A 54 -0.760 14.480 1.085 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.095 13.537 2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.767 13.514 -0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.822 11.803 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.009 13.421 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.333 13.968 -1.752 1.00 0.00 H new ATOM 811 N TYR A 55 -3.082 11.199 2.984 1.00 0.00 N ATOM 812 CA TYR A 55 -3.040 9.945 3.732 1.00 0.00 C ATOM 813 C TYR A 55 -3.317 8.776 2.793 1.00 0.00 C ATOM 814 O TYR A 55 -4.400 8.684 2.214 1.00 0.00 O ATOM 815 CB TYR A 55 -4.077 9.967 4.861 1.00 0.00 C ATOM 816 CG TYR A 55 -3.491 9.771 6.243 1.00 0.00 C ATOM 817 CD1 TYR A 55 -2.191 10.166 6.533 1.00 0.00 C ATOM 818 CD2 TYR A 55 -4.242 9.194 7.257 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.656 9.989 7.794 1.00 0.00 C ATOM 820 CE2 TYR A 55 -3.717 9.015 8.522 1.00 0.00 C ATOM 821 CZ TYR A 55 -2.423 9.413 8.786 1.00 0.00 C ATOM 822 OH TYR A 55 -1.894 9.240 10.046 1.00 0.00 O ATOM 0 H TYR A 55 -4.021 11.567 2.834 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.049 9.826 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.607 10.919 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.815 9.186 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.589 10.619 5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.255 8.879 7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.643 10.300 8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.316 8.566 9.300 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.563 8.822 10.627 1.00 0.00 H new ATOM 832 N TYR A 56 -2.332 7.895 2.631 1.00 0.00 N ATOM 833 CA TYR A 56 -2.472 6.749 1.740 1.00 0.00 C ATOM 834 C TYR A 56 -2.686 5.447 2.516 1.00 0.00 C ATOM 835 O TYR A 56 -2.101 5.234 3.579 1.00 0.00 O ATOM 836 CB TYR A 56 -1.234 6.630 0.842 1.00 0.00 C ATOM 837 CG TYR A 56 -1.059 7.784 -0.132 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.637 9.031 0.311 1.00 0.00 C ATOM 839 CD2 TYR A 56 -1.314 7.627 -1.494 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.476 10.085 -0.566 1.00 0.00 C ATOM 841 CE2 TYR A 56 -1.154 8.678 -2.375 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.737 9.905 -1.907 1.00 0.00 C ATOM 843 OH TYR A 56 -0.580 10.953 -2.785 1.00 0.00 O ATOM 0 H TYR A 56 -1.431 7.954 3.105 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.356 6.914 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.347 6.563 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.296 5.699 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.431 9.179 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.642 6.668 -1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.147 11.047 -0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.355 8.539 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.804 10.657 -3.692 1.00 0.00 H new ATOM 853 N ASN A 57 -3.528 4.581 1.954 1.00 0.00 N ATOM 854 CA ASN A 57 -3.845 3.278 2.542 1.00 0.00 C ATOM 855 C ASN A 57 -4.032 2.267 1.416 1.00 0.00 C ATOM 856 O ASN A 57 -4.991 2.373 0.662 1.00 0.00 O ATOM 857 CB ASN A 57 -5.128 3.378 3.376 1.00 0.00 C ATOM 858 CG ASN A 57 -5.335 2.173 4.276 1.00 0.00 C ATOM 859 OD1 ASN A 57 -5.607 1.069 3.805 1.00 0.00 O ATOM 860 ND2 ASN A 57 -5.210 2.379 5.583 1.00 0.00 N ATOM 0 H ASN A 57 -4.012 4.763 1.075 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.032 2.958 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.091 4.280 3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.984 3.480 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.341 1.606 6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.983 3.310 5.933 1.00 0.00 H new ATOM 867 N LEU A 58 -3.114 1.309 1.269 1.00 0.00 N ATOM 868 CA LEU A 58 -3.232 0.345 0.168 1.00 0.00 C ATOM 869 C LEU A 58 -2.943 -1.100 0.571 1.00 0.00 C ATOM 870 O LEU A 58 -2.410 -1.379 1.646 1.00 0.00 O ATOM 871 CB LEU A 58 -2.296 0.740 -0.977 1.00 0.00 C ATOM 872 CG LEU A 58 -2.448 2.175 -1.486 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.525 3.113 -0.726 1.00 0.00 C ATOM 874 CD2 LEU A 58 -2.165 2.240 -2.980 1.00 0.00 C ATOM 0 H LEU A 58 -2.305 1.179 1.876 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.275 0.382 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.267 0.597 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.462 0.058 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.476 2.495 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.648 4.128 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.773 3.087 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.491 2.797 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.277 3.267 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.147 1.901 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.868 1.598 -3.512 1.00 0.00 H new ATOM 886 N ILE A 59 -3.303 -2.007 -0.344 1.00 0.00 N ATOM 887 CA ILE A 59 -3.107 -3.445 -0.173 1.00 0.00 C ATOM 888 C ILE A 59 -2.250 -3.998 -1.317 1.00 0.00 C ATOM 889 O ILE A 59 -2.620 -3.870 -2.486 1.00 0.00 O ATOM 890 CB ILE A 59 -4.457 -4.197 -0.174 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.408 -3.604 0.872 1.00 0.00 C ATOM 892 CG2 ILE A 59 -4.242 -5.688 0.055 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.310 -4.252 2.236 1.00 0.00 C ATOM 0 H ILE A 59 -3.742 -1.758 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.610 -3.596 0.785 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.920 -4.074 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.201 -2.539 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.432 -3.697 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.205 -6.199 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.613 -6.091 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.754 -5.842 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.015 -3.775 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.547 -5.313 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.297 -4.136 2.622 1.00 0.00 H new ATOM 905 N LEU A 60 -1.113 -4.609 -0.987 1.00 0.00 N ATOM 906 CA LEU A 60 -0.224 -5.170 -2.004 1.00 0.00 C ATOM 907 C LEU A 60 0.062 -6.650 -1.736 1.00 0.00 C ATOM 908 O LEU A 60 -0.239 -7.165 -0.658 1.00 0.00 O ATOM 909 CB LEU A 60 1.102 -4.399 -2.063 1.00 0.00 C ATOM 910 CG LEU A 60 1.032 -2.895 -1.774 1.00 0.00 C ATOM 911 CD1 LEU A 60 0.835 -2.639 -0.288 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.297 -2.217 -2.270 1.00 0.00 C ATOM 0 H LEU A 60 -0.786 -4.728 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.734 -5.077 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.792 -4.852 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.533 -4.536 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 60 0.175 -2.476 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.788 -1.565 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.095 -3.103 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.670 -3.065 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.242 -1.148 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.162 -2.642 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.396 -2.373 -3.344 1.00 0.00 H new ATOM 924 N SER A 61 0.657 -7.320 -2.724 1.00 0.00 N ATOM 925 CA SER A 61 1.001 -8.739 -2.603 1.00 0.00 C ATOM 926 C SER A 61 2.475 -8.902 -2.242 1.00 0.00 C ATOM 927 O SER A 61 3.307 -8.098 -2.669 1.00 0.00 O ATOM 928 CB SER A 61 0.704 -9.481 -3.908 1.00 0.00 C ATOM 929 OG SER A 61 -0.665 -9.370 -4.260 1.00 0.00 O ATOM 0 H SER A 61 0.911 -6.902 -3.619 1.00 0.00 H new ATOM 0 HA SER A 61 0.390 -9.168 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.322 -9.076 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.971 -10.532 -3.801 1.00 0.00 H new ATOM 0 HG SER A 61 -0.830 -8.491 -4.660 1.00 0.00 H new ATOM 935 N ALA A 62 2.791 -9.937 -1.449 1.00 0.00 N ATOM 936 CA ALA A 62 4.171 -10.191 -1.023 1.00 0.00 C ATOM 937 C ALA A 62 4.416 -11.660 -0.667 1.00 0.00 C ATOM 938 O ALA A 62 3.532 -12.345 -0.149 1.00 0.00 O ATOM 939 CB ALA A 62 4.518 -9.305 0.164 1.00 0.00 C ATOM 0 H ALA A 62 2.111 -10.608 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 62 4.818 -9.953 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.544 -9.499 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.417 -8.258 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.841 -9.522 0.990 1.00 0.00 H new ATOM 945 N LYS A 63 5.642 -12.121 -0.935 1.00 0.00 N ATOM 946 CA LYS A 63 6.056 -13.489 -0.642 1.00 0.00 C ATOM 947 C LYS A 63 7.551 -13.535 -0.322 1.00 0.00 C ATOM 948 O LYS A 63 8.278 -12.565 -0.562 1.00 0.00 O ATOM 949 CB LYS A 63 5.718 -14.437 -1.801 1.00 0.00 C ATOM 950 CG LYS A 63 6.104 -13.923 -3.179 1.00 0.00 C ATOM 951 CD LYS A 63 7.597 -14.066 -3.438 1.00 0.00 C ATOM 952 CE LYS A 63 8.229 -12.738 -3.825 1.00 0.00 C ATOM 953 NZ LYS A 63 8.637 -12.713 -5.257 1.00 0.00 N ATOM 0 H LYS A 63 6.373 -11.552 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 63 5.501 -13.829 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.219 -15.390 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.646 -14.634 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.549 -14.471 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.818 -12.875 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.086 -14.455 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.761 -14.793 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.522 -11.931 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.100 -12.554 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.063 -11.791 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.331 -13.467 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.802 -12.863 -5.859 1.00 0.00 H new ATOM 967 N HIS A 64 7.997 -14.650 0.251 1.00 0.00 N ATOM 968 CA HIS A 64 9.396 -14.817 0.625 1.00 0.00 C ATOM 969 C HIS A 64 10.149 -15.727 -0.354 1.00 0.00 C ATOM 970 O HIS A 64 11.365 -15.884 -0.237 1.00 0.00 O ATOM 971 CB HIS A 64 9.486 -15.394 2.036 1.00 0.00 C ATOM 972 CG HIS A 64 8.998 -14.460 3.098 1.00 0.00 C ATOM 973 ND1 HIS A 64 7.686 -14.048 3.192 1.00 0.00 N ATOM 974 CD2 HIS A 64 9.651 -13.861 4.120 1.00 0.00 C ATOM 975 CE1 HIS A 64 7.554 -13.237 4.225 1.00 0.00 C ATOM 976 NE2 HIS A 64 8.731 -13.108 4.806 1.00 0.00 N ATOM 0 H HIS A 64 7.406 -15.453 0.466 1.00 0.00 H new ATOM 0 HA HIS A 64 9.866 -13.834 0.591 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.906 -16.316 2.080 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.522 -15.659 2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 64 10.701 -13.957 4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.638 -12.760 4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.926 -12.541 5.631 1.00 0.00 H new ATOM 985 N SER A 65 9.433 -16.327 -1.314 1.00 0.00 N ATOM 986 CA SER A 65 10.070 -17.219 -2.288 1.00 0.00 C ATOM 987 C SER A 65 9.399 -17.142 -3.663 1.00 0.00 C ATOM 988 O SER A 65 8.177 -17.012 -3.770 1.00 0.00 O ATOM 989 CB SER A 65 10.060 -18.662 -1.785 1.00 0.00 C ATOM 990 OG SER A 65 8.872 -18.953 -1.073 1.00 0.00 O ATOM 0 H SER A 65 8.427 -16.213 -1.436 1.00 0.00 H new ATOM 0 HA SER A 65 11.101 -16.884 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.156 -19.344 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.923 -18.830 -1.140 1.00 0.00 H new ATOM 0 HG SER A 65 9.098 -19.369 -0.215 1.00 0.00 H new ATOM 996 N PRO A 66 10.211 -17.239 -4.736 1.00 0.00 N ATOM 997 CA PRO A 66 9.730 -17.182 -6.126 1.00 0.00 C ATOM 998 C PRO A 66 8.834 -18.360 -6.506 1.00 0.00 C ATOM 999 O PRO A 66 7.985 -18.235 -7.388 1.00 0.00 O ATOM 1000 CB PRO A 66 11.019 -17.212 -6.954 1.00 0.00 C ATOM 1001 CG PRO A 66 12.027 -17.852 -6.065 1.00 0.00 C ATOM 1002 CD PRO A 66 11.672 -17.423 -4.672 1.00 0.00 C ATOM 0 HA PRO A 66 9.111 -16.300 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.885 -17.781 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.327 -16.207 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.999 -18.938 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.037 -17.535 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.951 -18.177 -3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.182 -16.501 -4.393 1.00 0.00 H new ATOM 1010 N HIS A 67 9.031 -19.504 -5.851 1.00 0.00 N ATOM 1011 CA HIS A 67 8.239 -20.697 -6.142 1.00 0.00 C ATOM 1012 C HIS A 67 7.042 -20.843 -5.196 1.00 0.00 C ATOM 1013 O HIS A 67 6.433 -21.914 -5.135 1.00 0.00 O ATOM 1014 CB HIS A 67 9.122 -21.947 -6.065 1.00 0.00 C ATOM 1015 CG HIS A 67 10.007 -22.133 -7.258 1.00 0.00 C ATOM 1016 ND1 HIS A 67 10.158 -23.343 -7.902 1.00 0.00 N ATOM 1017 CD2 HIS A 67 10.798 -21.256 -7.922 1.00 0.00 C ATOM 1018 CE1 HIS A 67 11.003 -23.202 -8.908 1.00 0.00 C ATOM 1019 NE2 HIS A 67 11.405 -21.946 -8.942 1.00 0.00 N ATOM 0 H HIS A 67 9.730 -19.629 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 67 7.846 -20.587 -7.153 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.741 -21.889 -5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.485 -22.825 -5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.927 -20.209 -7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.312 -23.983 -9.587 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.060 -21.551 -9.617 1.00 0.00 H new ATOM 1028 N GLU A 68 6.697 -19.780 -4.458 1.00 0.00 N ATOM 1029 CA GLU A 68 5.568 -19.847 -3.533 1.00 0.00 C ATOM 1030 C GLU A 68 4.559 -18.726 -3.762 1.00 0.00 C ATOM 1031 O GLU A 68 4.820 -17.764 -4.486 1.00 0.00 O ATOM 1032 CB GLU A 68 6.048 -19.824 -2.089 1.00 0.00 C ATOM 1033 CG GLU A 68 6.270 -21.210 -1.512 1.00 0.00 C ATOM 1034 CD GLU A 68 7.083 -21.191 -0.235 1.00 0.00 C ATOM 1035 OE1 GLU A 68 6.566 -20.703 0.790 1.00 0.00 O ATOM 1036 OE2 GLU A 68 8.236 -21.664 -0.261 1.00 0.00 O ATOM 0 H GLU A 68 7.176 -18.880 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 68 5.061 -20.792 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.979 -19.260 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.316 -19.296 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.304 -21.676 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.778 -21.829 -2.251 1.00 0.00 H new ATOM 1043 N PHE A 69 3.396 -18.890 -3.137 1.00 0.00 N ATOM 1044 CA PHE A 69 2.290 -17.942 -3.244 1.00 0.00 C ATOM 1045 C PHE A 69 2.610 -16.575 -2.654 1.00 0.00 C ATOM 1046 O PHE A 69 3.584 -16.404 -1.921 1.00 0.00 O ATOM 1047 CB PHE A 69 1.067 -18.502 -2.517 1.00 0.00 C ATOM 1048 CG PHE A 69 0.202 -19.380 -3.361 1.00 0.00 C ATOM 1049 CD1 PHE A 69 0.740 -20.457 -4.047 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -1.153 -19.130 -3.460 1.00 0.00 C ATOM 1051 CE1 PHE A 69 -0.068 -21.268 -4.821 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -1.965 -19.933 -4.228 1.00 0.00 C ATOM 1053 CZ PHE A 69 -1.423 -21.006 -4.912 1.00 0.00 C ATOM 0 H PHE A 69 3.193 -19.690 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 69 2.099 -17.808 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.402 -19.068 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.468 -17.671 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.798 -20.664 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.581 -18.293 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.358 -22.105 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.023 -19.726 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.057 -21.638 -5.516 1.00 0.00 H new ATOM 1063 N SER A 70 1.731 -15.621 -2.963 1.00 0.00 N ATOM 1064 CA SER A 70 1.832 -14.254 -2.466 1.00 0.00 C ATOM 1065 C SER A 70 0.535 -13.891 -1.754 1.00 0.00 C ATOM 1066 O SER A 70 -0.554 -14.191 -2.251 1.00 0.00 O ATOM 1067 CB SER A 70 2.084 -13.266 -3.611 1.00 0.00 C ATOM 1068 OG SER A 70 2.975 -13.800 -4.576 1.00 0.00 O ATOM 0 H SER A 70 0.926 -15.779 -3.569 1.00 0.00 H new ATOM 0 HA SER A 70 2.673 -14.193 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.138 -13.014 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.495 -12.340 -3.209 1.00 0.00 H new ATOM 0 HG SER A 70 3.112 -13.145 -5.292 1.00 0.00 H new ATOM 1074 N LYS A 71 0.646 -13.259 -0.593 1.00 0.00 N ATOM 1075 CA LYS A 71 -0.532 -12.872 0.176 1.00 0.00 C ATOM 1076 C LYS A 71 -0.712 -11.359 0.178 1.00 0.00 C ATOM 1077 O LYS A 71 0.164 -10.622 -0.273 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.435 -13.408 1.605 1.00 0.00 C ATOM 1079 CG LYS A 71 -0.430 -14.934 1.688 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.536 -15.565 0.844 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.895 -15.426 1.512 1.00 0.00 C ATOM 1082 NZ LYS A 71 -4.007 -15.848 0.615 1.00 0.00 N ATOM 0 H LYS A 71 1.535 -13.004 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.409 -13.311 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.475 -13.025 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.274 -13.024 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.537 -15.310 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.550 -15.239 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.562 -15.091 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.315 -16.620 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.915 -16.028 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.046 -14.389 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.914 -15.737 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.006 -15.257 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.878 -16.845 0.348 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.860 -10.903 0.670 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.158 -9.475 0.709 1.00 0.00 C ATOM 1098 C PHE A 72 -1.683 -8.841 2.008 1.00 0.00 C ATOM 1099 O PHE A 72 -1.628 -9.498 3.045 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.662 -9.238 0.543 1.00 0.00 C ATOM 1101 CG PHE A 72 -4.230 -9.789 -0.736 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -3.479 -9.799 -1.901 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -5.517 -10.296 -0.769 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -4.003 -10.305 -3.074 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -6.047 -10.803 -1.940 1.00 0.00 C ATOM 1106 CZ PHE A 72 -5.289 -10.808 -3.094 1.00 0.00 C ATOM 0 H PHE A 72 -2.597 -11.499 1.046 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.623 -9.007 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.186 -9.690 1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.857 -8.166 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.473 -9.407 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.114 -10.295 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.408 -10.307 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.053 -11.195 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.701 -11.204 -4.010 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.350 -7.554 1.935 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.891 -6.795 3.091 1.00 0.00 C ATOM 1118 C TYR A 73 -1.469 -5.380 3.030 1.00 0.00 C ATOM 1119 O TYR A 73 -1.547 -4.794 1.955 1.00 0.00 O ATOM 1120 CB TYR A 73 0.641 -6.703 3.116 1.00 0.00 C ATOM 1121 CG TYR A 73 1.377 -8.028 3.063 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.381 -8.809 1.912 1.00 0.00 C ATOM 1123 CD2 TYR A 73 2.088 -8.486 4.165 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.065 -10.007 1.867 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.777 -9.682 4.124 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.761 -10.439 2.974 1.00 0.00 C ATOM 1127 OH TYR A 73 3.447 -11.628 2.928 1.00 0.00 O ATOM 0 H TYR A 73 -1.391 -7.011 1.073 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.228 -7.307 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.965 -6.094 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.941 -6.177 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.840 -8.473 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.102 -7.896 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.054 -10.604 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.326 -10.022 4.990 1.00 0.00 H new ATOM 0 HH TYR A 73 3.512 -11.933 1.999 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.863 -4.838 4.180 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.424 -3.487 4.252 1.00 0.00 C ATOM 1139 C ASN A 74 -1.497 -2.553 5.027 1.00 0.00 C ATOM 1140 O ASN A 74 -1.115 -2.850 6.160 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.803 -3.514 4.914 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.582 -2.230 4.694 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -5.352 -1.823 5.698 1.00 0.00 O flip ATOM 1144 ND2 ASN A 74 -4.493 -1.608 3.635 1.00 0.00 N flip ATOM 0 H ASN A 74 -1.804 -5.315 5.080 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.525 -3.112 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.375 -4.354 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.685 -3.684 5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.890 -1.955 2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.022 -0.746 3.504 1.00 0.00 H new ATOM 1151 N VAL A 75 -1.139 -1.423 4.412 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.255 -0.451 5.055 1.00 0.00 C ATOM 1153 C VAL A 75 -0.786 0.969 4.947 1.00 0.00 C ATOM 1154 O VAL A 75 -1.286 1.387 3.896 1.00 0.00 O ATOM 1155 CB VAL A 75 1.175 -0.470 4.465 1.00 0.00 C ATOM 1156 CG1 VAL A 75 1.928 -1.702 4.932 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.145 -0.398 2.945 1.00 0.00 C ATOM 0 H VAL A 75 -1.446 -1.161 3.475 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.221 -0.753 6.102 1.00 0.00 H new ATOM 0 HB VAL A 75 1.701 0.413 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.932 -1.698 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.995 -1.697 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.399 -2.597 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.165 -0.413 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.595 -1.253 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.653 0.524 2.634 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.628 1.715 6.037 1.00 0.00 N ATOM 1168 CA VAL A 76 -1.034 3.109 6.085 1.00 0.00 C ATOM 1169 C VAL A 76 0.214 3.963 5.958 1.00 0.00 C ATOM 1170 O VAL A 76 1.059 3.973 6.854 1.00 0.00 O ATOM 1171 CB VAL A 76 -1.774 3.477 7.393 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -2.824 4.544 7.126 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -2.412 2.251 8.035 1.00 0.00 C ATOM 0 H VAL A 76 -0.217 1.370 6.904 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.733 3.287 5.268 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.038 3.874 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.336 4.792 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.342 5.437 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.548 4.169 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.923 2.545 8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.131 1.811 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.639 1.519 8.270 1.00 0.00 H new ATOM 1183 N VAL A 77 0.350 4.641 4.827 1.00 0.00 N ATOM 1184 CA VAL A 77 1.522 5.462 4.570 1.00 0.00 C ATOM 1185 C VAL A 77 1.167 6.943 4.513 1.00 0.00 C ATOM 1186 O VAL A 77 0.158 7.329 3.921 1.00 0.00 O ATOM 1187 CB VAL A 77 2.214 5.041 3.257 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.597 5.652 3.168 1.00 0.00 C ATOM 1189 CG2 VAL A 77 2.299 3.523 3.156 1.00 0.00 C ATOM 0 H VAL A 77 -0.337 4.638 4.073 1.00 0.00 H new ATOM 0 HA VAL A 77 2.211 5.305 5.400 1.00 0.00 H new ATOM 0 HB VAL A 77 1.616 5.409 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.071 5.345 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.517 6.739 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.200 5.313 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.790 3.247 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.873 3.134 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.295 3.100 3.176 1.00 0.00 H new ATOM 1199 N LEU A 78 2.005 7.762 5.145 1.00 0.00 N ATOM 1200 CA LEU A 78 1.799 9.203 5.189 1.00 0.00 C ATOM 1201 C LEU A 78 2.882 9.937 4.394 1.00 0.00 C ATOM 1202 O LEU A 78 4.073 9.668 4.557 1.00 0.00 O ATOM 1203 CB LEU A 78 1.793 9.676 6.646 1.00 0.00 C ATOM 1204 CG LEU A 78 2.031 11.174 6.856 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.083 12.000 5.996 1.00 0.00 C ATOM 1206 CD2 LEU A 78 1.866 11.538 8.323 1.00 0.00 C ATOM 0 H LEU A 78 2.840 7.445 5.637 1.00 0.00 H new ATOM 0 HA LEU A 78 0.837 9.432 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.833 9.413 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.559 9.125 7.191 1.00 0.00 H new ATOM 0 HG LEU A 78 3.053 11.401 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.271 13.061 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.246 11.763 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.052 11.768 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.039 12.606 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.855 11.291 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.586 10.978 8.920 1.00 0.00 H new ATOM 1218 N GLU A 79 2.453 10.867 3.539 1.00 0.00 N ATOM 1219 CA GLU A 79 3.371 11.653 2.717 1.00 0.00 C ATOM 1220 C GLU A 79 3.755 12.949 3.450 1.00 0.00 C ATOM 1221 O GLU A 79 2.880 13.666 3.935 1.00 0.00 O ATOM 1222 CB GLU A 79 2.697 11.953 1.367 1.00 0.00 C ATOM 1223 CG GLU A 79 2.889 13.377 0.879 1.00 0.00 C ATOM 1224 CD GLU A 79 2.186 13.651 -0.435 1.00 0.00 C ATOM 1225 OE1 GLU A 79 0.938 13.587 -0.472 1.00 0.00 O ATOM 1226 OE2 GLU A 79 2.886 13.938 -1.426 1.00 0.00 O ATOM 0 H GLU A 79 1.469 11.094 3.398 1.00 0.00 H new ATOM 0 HA GLU A 79 4.288 11.092 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.091 11.267 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.629 11.751 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.517 14.068 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.955 13.575 0.763 1.00 0.00 H new ATOM 1233 N LYS A 80 5.060 13.241 3.548 1.00 0.00 N ATOM 1234 CA LYS A 80 5.516 14.449 4.251 1.00 0.00 C ATOM 1235 C LYS A 80 6.414 15.339 3.400 1.00 0.00 C ATOM 1236 O LYS A 80 7.261 14.859 2.640 1.00 0.00 O ATOM 1237 CB LYS A 80 6.283 14.085 5.525 1.00 0.00 C ATOM 1238 CG LYS A 80 6.256 15.170 6.590 1.00 0.00 C ATOM 1239 CD LYS A 80 7.272 14.900 7.689 1.00 0.00 C ATOM 1240 CE LYS A 80 6.927 13.643 8.474 1.00 0.00 C ATOM 1241 NZ LYS A 80 7.441 12.411 7.811 1.00 0.00 N ATOM 0 H LYS A 80 5.808 12.668 3.157 1.00 0.00 H new ATOM 0 HA LYS A 80 4.608 15.003 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.863 13.170 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.319 13.870 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.464 16.137 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.258 15.231 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.264 14.795 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.312 15.753 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.346 13.716 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.845 13.570 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.903 11.804 8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.650 11.895 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.129 12.673 7.077 1.00 0.00 H new ATOM 1255 N ALA A 81 6.250 16.645 3.596 1.00 0.00 N ATOM 1256 CA ALA A 81 7.061 17.649 2.920 1.00 0.00 C ATOM 1257 C ALA A 81 8.137 18.166 3.875 1.00 0.00 C ATOM 1258 O ALA A 81 9.227 18.547 3.448 1.00 0.00 O ATOM 1259 CB ALA A 81 6.193 18.794 2.421 1.00 0.00 C ATOM 0 H ALA A 81 5.551 17.035 4.228 1.00 0.00 H new ATOM 0 HA ALA A 81 7.542 17.192 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.818 19.533 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.452 18.410 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.686 19.261 3.265 1.00 0.00 H new ATOM 1265 N SER A 82 7.819 18.156 5.179 1.00 0.00 N ATOM 1266 CA SER A 82 8.747 18.603 6.215 1.00 0.00 C ATOM 1267 C SER A 82 10.081 17.869 6.102 1.00 0.00 C ATOM 1268 O SER A 82 11.141 18.489 6.201 1.00 0.00 O ATOM 1269 CB SER A 82 8.144 18.380 7.602 1.00 0.00 C ATOM 1270 OG SER A 82 8.825 19.141 8.584 1.00 0.00 O ATOM 0 H SER A 82 6.918 17.840 5.537 1.00 0.00 H new ATOM 0 HA SER A 82 8.925 19.669 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.089 18.655 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.195 17.322 7.858 1.00 0.00 H new ATOM 0 HG SER A 82 8.419 18.981 9.461 1.00 0.00 H new ATOM 1276 N ASP A 83 10.031 16.549 5.879 1.00 0.00 N ATOM 1277 CA ASP A 83 11.256 15.764 5.735 1.00 0.00 C ATOM 1278 C ASP A 83 11.521 15.407 4.265 1.00 0.00 C ATOM 1279 O ASP A 83 12.417 14.614 3.971 1.00 0.00 O ATOM 1280 CB ASP A 83 11.188 14.493 6.586 1.00 0.00 C ATOM 1281 CG ASP A 83 12.440 14.290 7.419 1.00 0.00 C ATOM 1282 OD1 ASP A 83 13.462 13.845 6.855 1.00 0.00 O ATOM 1283 OD2 ASP A 83 12.399 14.579 8.633 1.00 0.00 O ATOM 0 H ASP A 83 9.168 16.012 5.796 1.00 0.00 H new ATOM 0 HA ASP A 83 12.085 16.378 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.321 14.545 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.043 13.630 5.936 1.00 0.00 H new ATOM 1288 N ASN A 84 10.739 16.003 3.350 1.00 0.00 N ATOM 1289 CA ASN A 84 10.879 15.762 1.911 1.00 0.00 C ATOM 1290 C ASN A 84 11.046 14.272 1.609 1.00 0.00 C ATOM 1291 O ASN A 84 12.047 13.849 1.024 1.00 0.00 O ATOM 1292 CB ASN A 84 12.055 16.566 1.347 1.00 0.00 C ATOM 1293 CG ASN A 84 11.610 17.576 0.308 1.00 0.00 C ATOM 1294 OD1 ASN A 84 11.496 17.255 -0.874 1.00 0.00 O ATOM 1295 ND2 ASN A 84 11.349 18.804 0.742 1.00 0.00 N ATOM 0 H ASN A 84 9.997 16.661 3.589 1.00 0.00 H new ATOM 0 HA ASN A 84 9.963 16.096 1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.563 17.084 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.779 15.884 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.041 19.522 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.456 19.029 1.731 1.00 0.00 H new ATOM 1302 N SER A 85 10.055 13.480 2.016 1.00 0.00 N ATOM 1303 CA SER A 85 10.080 12.042 1.801 1.00 0.00 C ATOM 1304 C SER A 85 8.757 11.406 2.228 1.00 0.00 C ATOM 1305 O SER A 85 7.809 12.101 2.601 1.00 0.00 O ATOM 1306 CB SER A 85 11.246 11.411 2.575 1.00 0.00 C ATOM 1307 OG SER A 85 10.929 11.239 3.947 1.00 0.00 O ATOM 0 H SER A 85 9.222 13.817 2.499 1.00 0.00 H new ATOM 0 HA SER A 85 10.221 11.857 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.496 10.446 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.130 12.042 2.481 1.00 0.00 H new ATOM 0 HG SER A 85 11.691 10.834 4.411 1.00 0.00 H new ATOM 1313 N LEU A 86 8.712 10.082 2.185 1.00 0.00 N ATOM 1314 CA LEU A 86 7.521 9.335 2.580 1.00 0.00 C ATOM 1315 C LEU A 86 7.701 8.771 3.986 1.00 0.00 C ATOM 1316 O LEU A 86 8.812 8.767 4.519 1.00 0.00 O ATOM 1317 CB LEU A 86 7.236 8.190 1.598 1.00 0.00 C ATOM 1318 CG LEU A 86 7.327 8.536 0.106 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.549 9.808 -0.203 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.780 8.672 -0.332 1.00 0.00 C ATOM 0 H LEU A 86 9.490 9.498 1.879 1.00 0.00 H new ATOM 0 HA LEU A 86 6.673 10.020 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.935 7.380 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.236 7.807 1.800 1.00 0.00 H new ATOM 0 HG LEU A 86 6.878 7.718 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.628 10.033 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.501 9.667 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.960 10.636 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.819 8.917 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.260 9.465 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.302 7.731 -0.158 1.00 0.00 H new ATOM 1332 N LYS A 87 6.612 8.299 4.589 1.00 0.00 N ATOM 1333 CA LYS A 87 6.678 7.741 5.935 1.00 0.00 C ATOM 1334 C LYS A 87 5.669 6.616 6.129 1.00 0.00 C ATOM 1335 O LYS A 87 4.462 6.814 5.984 1.00 0.00 O ATOM 1336 CB LYS A 87 6.453 8.837 6.978 1.00 0.00 C ATOM 1337 CG LYS A 87 6.302 8.312 8.398 1.00 0.00 C ATOM 1338 CD LYS A 87 4.845 8.305 8.836 1.00 0.00 C ATOM 1339 CE LYS A 87 4.506 9.522 9.683 1.00 0.00 C ATOM 1340 NZ LYS A 87 4.892 10.799 9.019 1.00 0.00 N ATOM 0 H LYS A 87 5.682 8.292 4.170 1.00 0.00 H new ATOM 0 HA LYS A 87 7.675 7.320 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.290 9.534 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.559 9.401 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.706 7.302 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.885 8.930 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.201 8.283 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.640 7.398 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.436 9.531 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.015 9.446 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.411 11.593 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.922 10.929 9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.613 10.768 8.018 1.00 0.00 H new ATOM 1354 N LEU A 88 6.179 5.440 6.480 1.00 0.00 N ATOM 1355 CA LEU A 88 5.341 4.275 6.724 1.00 0.00 C ATOM 1356 C LEU A 88 4.753 4.343 8.133 1.00 0.00 C ATOM 1357 O LEU A 88 5.473 4.207 9.123 1.00 0.00 O ATOM 1358 CB LEU A 88 6.165 2.995 6.542 1.00 0.00 C ATOM 1359 CG LEU A 88 5.375 1.692 6.352 1.00 0.00 C ATOM 1360 CD1 LEU A 88 5.926 0.601 7.257 1.00 0.00 C ATOM 1361 CD2 LEU A 88 3.886 1.893 6.610 1.00 0.00 C ATOM 0 H LEU A 88 7.177 5.270 6.602 1.00 0.00 H new ATOM 0 HA LEU A 88 4.520 4.264 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.816 3.128 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.811 2.878 7.412 1.00 0.00 H new ATOM 0 HG LEU A 88 5.492 1.384 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.355 -0.316 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.973 0.420 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.845 0.916 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.361 0.949 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.737 2.238 7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.494 2.636 5.916 1.00 0.00 H new ATOM 1373 N VAL A 89 3.443 4.568 8.214 1.00 0.00 N ATOM 1374 CA VAL A 89 2.761 4.670 9.503 1.00 0.00 C ATOM 1375 C VAL A 89 2.541 3.294 10.134 1.00 0.00 C ATOM 1376 O VAL A 89 2.863 3.090 11.305 1.00 0.00 O ATOM 1377 CB VAL A 89 1.398 5.394 9.385 1.00 0.00 C ATOM 1378 CG1 VAL A 89 0.959 5.927 10.741 1.00 0.00 C ATOM 1379 CG2 VAL A 89 1.459 6.522 8.360 1.00 0.00 C ATOM 0 H VAL A 89 2.834 4.683 7.404 1.00 0.00 H new ATOM 0 HA VAL A 89 3.417 5.259 10.144 1.00 0.00 H new ATOM 0 HB VAL A 89 0.661 4.669 9.041 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.001 6.433 10.640 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.860 5.099 11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.703 6.631 11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.487 7.012 8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.213 7.248 8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.721 6.113 7.384 1.00 0.00 H new ATOM 1389 N ALA A 90 1.987 2.354 9.362 1.00 0.00 N ATOM 1390 CA ALA A 90 1.726 1.008 9.876 1.00 0.00 C ATOM 1391 C ALA A 90 1.784 -0.059 8.779 1.00 0.00 C ATOM 1392 O ALA A 90 1.411 0.191 7.632 1.00 0.00 O ATOM 1393 CB ALA A 90 0.372 0.973 10.567 1.00 0.00 C ATOM 0 H ALA A 90 1.714 2.498 8.390 1.00 0.00 H new ATOM 0 HA ALA A 90 2.514 0.775 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.183 -0.031 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.368 1.682 11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.407 1.243 9.854 1.00 0.00 H new ATOM 1399 N PHE A 91 2.240 -1.257 9.159 1.00 0.00 N ATOM 1400 CA PHE A 91 2.336 -2.390 8.236 1.00 0.00 C ATOM 1401 C PHE A 91 1.589 -3.589 8.823 1.00 0.00 C ATOM 1402 O PHE A 91 1.900 -4.044 9.925 1.00 0.00 O ATOM 1403 CB PHE A 91 3.811 -2.720 7.947 1.00 0.00 C ATOM 1404 CG PHE A 91 4.026 -3.523 6.694 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.447 -4.772 6.539 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.815 -3.025 5.669 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.651 -5.506 5.388 1.00 0.00 C ATOM 1408 CE2 PHE A 91 5.021 -3.755 4.516 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.438 -4.997 4.376 1.00 0.00 C ATOM 0 H PHE A 91 2.550 -1.467 10.108 1.00 0.00 H new ATOM 0 HA PHE A 91 1.870 -2.131 7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.372 -1.789 7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.222 -3.270 8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.829 -5.176 7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.274 -2.053 5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.194 -6.479 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.638 -3.354 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.598 -5.571 3.475 1.00 0.00 H new ATOM 1419 N VAL A 92 0.563 -4.059 8.103 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.277 -5.164 8.581 1.00 0.00 C ATOM 1421 C VAL A 92 -0.501 -6.246 7.520 1.00 0.00 C ATOM 1422 O VAL A 92 -0.670 -5.942 6.341 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.658 -4.622 9.018 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.422 -5.656 9.831 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.508 -3.325 9.803 1.00 0.00 C ATOM 0 H VAL A 92 0.295 -3.692 7.190 1.00 0.00 H new ATOM 0 HA VAL A 92 0.255 -5.616 9.418 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.233 -4.412 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.389 -5.247 10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.575 -6.552 9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.851 -5.912 10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.493 -2.963 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.905 -3.506 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.019 -2.577 9.179 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.535 -7.533 7.935 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.773 -8.659 7.024 1.00 0.00 C ATOM 1437 C PRO A 93 -2.262 -8.832 6.715 1.00 0.00 C ATOM 1438 O PRO A 93 -3.104 -8.689 7.604 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.255 -9.849 7.821 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.552 -9.490 9.233 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.367 -7.996 9.330 1.00 0.00 C ATOM 0 HA PRO A 93 -0.289 -8.528 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.755 -10.773 7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.813 -10.001 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.569 -9.776 9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.117 -10.011 9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.103 -7.543 9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.617 -7.739 9.722 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.587 -9.122 5.455 1.00 0.00 N ATOM 1450 CA LEU A 94 -3.982 -9.292 5.048 1.00 0.00 C ATOM 1451 C LEU A 94 -4.301 -10.738 4.648 1.00 0.00 C ATOM 1452 O LEU A 94 -4.924 -10.978 3.611 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.314 -8.340 3.894 1.00 0.00 C ATOM 1454 CG LEU A 94 -4.968 -7.015 4.302 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.482 -7.163 4.359 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -4.428 -6.531 5.641 1.00 0.00 C ATOM 0 H LEU A 94 -1.909 -9.243 4.703 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.603 -9.051 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.395 -8.120 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.978 -8.855 3.200 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.721 -6.268 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.930 -6.213 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.856 -7.455 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.746 -7.927 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.908 -5.589 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.638 -7.276 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.351 -6.381 5.566 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.887 -11.699 5.474 1.00 0.00 N ATOM 1469 CA PHE A 95 -4.152 -13.114 5.191 1.00 0.00 C ATOM 1470 C PHE A 95 -4.265 -13.942 6.477 1.00 0.00 C ATOM 1471 O PHE A 95 -4.418 -15.178 6.370 1.00 0.00 O ATOM 1472 CB PHE A 95 -3.064 -13.689 4.276 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.752 -13.940 4.964 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -1.034 -12.892 5.511 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -1.238 -15.223 5.060 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.173 -13.117 6.142 1.00 0.00 C ATOM 1477 CE2 PHE A 95 -0.032 -15.454 5.690 1.00 0.00 C ATOM 1478 CZ PHE A 95 0.675 -14.400 6.232 1.00 0.00 C ATOM 1479 OXT PHE A 95 -4.209 -13.353 7.577 1.00 0.00 O ATOM 0 H PHE A 95 -3.371 -11.528 6.337 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.113 -13.172 4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.422 -14.625 3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.901 -13.001 3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.422 -11.886 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.787 -16.051 4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.724 -12.290 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.358 -16.459 5.759 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.619 -14.578 6.726 1.00 0.00 H new