USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 828 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 29 TYR OH : rot 30:sc= -0.0555 USER MOD Set 1.2: A 80 ASN : amide:sc= -5.5! C(o=-5.8!,f=-10!) USER MOD Set 1.3: A 81 THR OG1 : rot 88:sc= -0.309 USER MOD Set 1.4: A 97 THR OG1 : rot -88:sc= 0.0713 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0.806) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -4.86! C(o=-7.6!,f=-4.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot -77:sc= 0.736 USER MOD Single : A 54 SER OG : rot -46:sc= -0.162 USER MOD Single : A 57 CYS SG : rot 80:sc= -6.59! USER MOD Single : A 59 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.5) USER MOD Single : A 63 GLN : amide:sc= -0.0963 K(o=-0.096,f=-1.6!) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-1.8,f=0) USER MOD Single : A 67 SER OG : rot -43:sc= 0.0135 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 72 SER OG : rot 180:sc= 0.402 USER MOD Single : A 77 SER OG : rot -110:sc= 0.867 USER MOD Single : A 79 TYR OH : rot 150:sc= -0.169 USER MOD Single : A 86 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 87 CYS SG : rot 74:sc= 0.844 USER MOD Single : A 89 HIS : no HD1:sc= -8! C(o=-8!,f=-12!) USER MOD Single : A 90 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.7) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0812) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.140 6.709 -3.694 1.00 0.00 N ATOM 95 CA SER A 6 -6.161 6.203 -5.056 1.00 0.00 C ATOM 96 C SER A 6 -5.459 4.845 -5.120 1.00 0.00 C ATOM 97 O SER A 6 -4.579 4.635 -5.953 1.00 0.00 O ATOM 98 CB SER A 6 -5.494 7.189 -6.020 1.00 0.00 C ATOM 99 OG SER A 6 -6.444 8.051 -6.640 1.00 0.00 O ATOM 0 HA SER A 6 -7.201 6.084 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.761 7.787 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.951 6.636 -6.787 1.00 0.00 H new ATOM 0 HG SER A 6 -5.981 8.666 -7.246 1.00 0.00 H new ATOM 105 N VAL A 7 -5.878 3.957 -4.229 1.00 0.00 N ATOM 106 CA VAL A 7 -5.301 2.625 -4.173 1.00 0.00 C ATOM 107 C VAL A 7 -6.420 1.586 -4.268 1.00 0.00 C ATOM 108 O VAL A 7 -6.638 0.999 -5.328 1.00 0.00 O ATOM 109 CB VAL A 7 -4.452 2.474 -2.910 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.799 1.092 -2.849 1.00 0.00 C ATOM 111 CG2 VAL A 7 -3.398 3.581 -2.822 1.00 0.00 C ATOM 0 H VAL A 7 -6.610 4.134 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.632 2.463 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.114 2.570 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.201 1.012 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.572 0.324 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.157 0.954 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.808 3.450 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.743 3.530 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.892 4.552 -2.797 1.00 0.00 H new ATOM 121 N LEU A 8 -7.099 1.390 -3.148 1.00 0.00 N ATOM 122 CA LEU A 8 -8.190 0.432 -3.092 1.00 0.00 C ATOM 123 C LEU A 8 -9.399 1.081 -2.416 1.00 0.00 C ATOM 124 O LEU A 8 -9.310 2.204 -1.923 1.00 0.00 O ATOM 125 CB LEU A 8 -7.731 -0.864 -2.420 1.00 0.00 C ATOM 126 CG LEU A 8 -6.300 -1.310 -2.728 1.00 0.00 C ATOM 127 CD1 LEU A 8 -5.513 -1.555 -1.439 1.00 0.00 C ATOM 128 CD2 LEU A 8 -6.293 -2.534 -3.646 1.00 0.00 C ATOM 0 H LEU A 8 -6.915 1.878 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.501 0.149 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.829 -0.745 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.411 -1.663 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.798 -0.504 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.499 -1.871 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.474 -0.635 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.004 -2.334 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.264 -2.830 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.818 -3.356 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.792 -2.288 -4.584 1.00 0.00 H new ATOM 140 N SER A 9 -10.502 0.346 -2.415 1.00 0.00 N ATOM 141 CA SER A 9 -11.727 0.836 -1.808 1.00 0.00 C ATOM 142 C SER A 9 -11.645 0.705 -0.286 1.00 0.00 C ATOM 143 O SER A 9 -10.637 0.246 0.248 1.00 0.00 O ATOM 144 CB SER A 9 -12.946 0.081 -2.341 1.00 0.00 C ATOM 145 OG SER A 9 -14.142 0.848 -2.225 1.00 0.00 O ATOM 0 H SER A 9 -10.572 -0.585 -2.825 1.00 0.00 H new ATOM 0 HA SER A 9 -11.842 1.888 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.782 -0.179 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.061 -0.855 -1.794 1.00 0.00 H new ATOM 0 HG SER A 9 -14.897 0.332 -2.578 1.00 0.00 H new ATOM 151 N GLY A 10 -12.721 1.115 0.370 1.00 0.00 N ATOM 152 CA GLY A 10 -12.784 1.050 1.821 1.00 0.00 C ATOM 153 C GLY A 10 -12.547 -0.379 2.315 1.00 0.00 C ATOM 154 O GLY A 10 -11.652 -0.620 3.123 1.00 0.00 O ATOM 0 H GLY A 10 -13.556 1.494 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.037 1.716 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.758 1.400 2.163 1.00 0.00 H new ATOM 158 N GLY A 11 -13.366 -1.289 1.809 1.00 0.00 N ATOM 159 CA GLY A 11 -13.258 -2.687 2.190 1.00 0.00 C ATOM 160 C GLY A 11 -11.845 -3.217 1.936 1.00 0.00 C ATOM 161 O GLY A 11 -11.282 -3.920 2.774 1.00 0.00 O ATOM 0 H GLY A 11 -14.107 -1.086 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.509 -2.801 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.979 -3.278 1.625 1.00 0.00 H new ATOM 165 N GLU A 12 -11.312 -2.857 0.778 1.00 0.00 N ATOM 166 CA GLU A 12 -9.975 -3.287 0.404 1.00 0.00 C ATOM 167 C GLU A 12 -8.947 -2.754 1.404 1.00 0.00 C ATOM 168 O GLU A 12 -7.985 -3.445 1.738 1.00 0.00 O ATOM 169 CB GLU A 12 -9.635 -2.843 -1.020 1.00 0.00 C ATOM 170 CG GLU A 12 -10.576 -3.493 -2.036 1.00 0.00 C ATOM 171 CD GLU A 12 -10.096 -4.897 -2.408 1.00 0.00 C ATOM 172 OE1 GLU A 12 -9.187 -4.978 -3.263 1.00 0.00 O ATOM 173 OE2 GLU A 12 -10.649 -5.857 -1.830 1.00 0.00 O ATOM 0 H GLU A 12 -11.781 -2.273 0.086 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.945 -4.376 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.708 -1.758 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.604 -3.110 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.583 -3.547 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.633 -2.875 -2.932 1.00 0.00 H new ATOM 180 N LEU A 13 -9.186 -1.531 1.856 1.00 0.00 N ATOM 181 CA LEU A 13 -8.293 -0.899 2.811 1.00 0.00 C ATOM 182 C LEU A 13 -8.389 -1.629 4.153 1.00 0.00 C ATOM 183 O LEU A 13 -7.370 -1.917 4.781 1.00 0.00 O ATOM 184 CB LEU A 13 -8.583 0.600 2.905 1.00 0.00 C ATOM 185 CG LEU A 13 -7.360 1.519 2.947 1.00 0.00 C ATOM 186 CD1 LEU A 13 -6.417 1.126 4.085 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.647 1.542 1.594 1.00 0.00 C ATOM 0 H LEU A 13 -9.985 -0.962 1.578 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.259 -0.980 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.198 0.885 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.178 0.779 3.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.702 2.534 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.557 1.795 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.943 1.202 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.078 0.100 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.781 2.202 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.319 0.534 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.332 1.906 0.828 1.00 0.00 H new ATOM 199 N ASP A 14 -9.621 -1.908 4.552 1.00 0.00 N ATOM 200 CA ASP A 14 -9.863 -2.598 5.808 1.00 0.00 C ATOM 201 C ASP A 14 -9.102 -3.926 5.809 1.00 0.00 C ATOM 202 O ASP A 14 -8.484 -4.291 6.807 1.00 0.00 O ATOM 203 CB ASP A 14 -11.350 -2.906 5.990 1.00 0.00 C ATOM 204 CG ASP A 14 -11.848 -2.857 7.436 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.462 -3.767 8.200 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.604 -1.910 7.743 1.00 0.00 O ATOM 0 H ASP A 14 -10.463 -1.669 4.028 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.527 -1.951 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.928 -2.196 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.553 -3.898 5.585 1.00 0.00 H new ATOM 211 N LYS A 15 -9.171 -4.612 4.678 1.00 0.00 N ATOM 212 CA LYS A 15 -8.497 -5.892 4.536 1.00 0.00 C ATOM 213 C LYS A 15 -6.986 -5.663 4.473 1.00 0.00 C ATOM 214 O LYS A 15 -6.214 -6.418 5.063 1.00 0.00 O ATOM 215 CB LYS A 15 -9.052 -6.660 3.335 1.00 0.00 C ATOM 216 CG LYS A 15 -10.339 -7.401 3.705 1.00 0.00 C ATOM 217 CD LYS A 15 -11.078 -7.876 2.452 1.00 0.00 C ATOM 218 CE LYS A 15 -12.466 -8.412 2.805 1.00 0.00 C ATOM 219 NZ LYS A 15 -13.472 -7.329 2.743 1.00 0.00 N ATOM 0 H LYS A 15 -9.683 -4.306 3.851 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.689 -6.522 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.249 -5.968 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.308 -7.372 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.101 -8.256 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.986 -6.745 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.172 -7.051 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.498 -8.655 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.740 -9.210 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.451 -8.846 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.408 -7.711 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.218 -6.580 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.498 -6.934 1.781 1.00 0.00 H new ATOM 233 N TRP A 16 -6.607 -4.616 3.754 1.00 0.00 N ATOM 234 CA TRP A 16 -5.201 -4.278 3.607 1.00 0.00 C ATOM 235 C TRP A 16 -4.614 -4.080 5.006 1.00 0.00 C ATOM 236 O TRP A 16 -3.434 -4.343 5.230 1.00 0.00 O ATOM 237 CB TRP A 16 -5.023 -3.055 2.705 1.00 0.00 C ATOM 238 CG TRP A 16 -3.817 -2.185 3.068 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.739 -1.232 4.007 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.512 -2.228 2.454 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.484 -0.660 4.044 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.714 -1.285 3.070 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.022 -3.036 1.414 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.378 -1.061 2.715 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.684 -2.801 1.071 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.132 -1.855 1.680 1.00 0.00 C ATOM 0 H TRP A 16 -7.249 -3.991 3.267 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.659 -5.085 3.113 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.919 -3.389 1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.926 -2.446 2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.556 -0.947 4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.178 0.084 4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.629 -3.779 0.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.226 -0.317 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.257 -3.397 0.278 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.155 -1.733 1.356 1.00 0.00 H new ATOM 257 N GLU A 17 -5.465 -3.619 5.910 1.00 0.00 N ATOM 258 CA GLU A 17 -5.045 -3.384 7.281 1.00 0.00 C ATOM 259 C GLU A 17 -5.275 -4.636 8.129 1.00 0.00 C ATOM 260 O GLU A 17 -5.532 -4.539 9.329 1.00 0.00 O ATOM 261 CB GLU A 17 -5.771 -2.177 7.878 1.00 0.00 C ATOM 262 CG GLU A 17 -5.198 -1.814 9.249 1.00 0.00 C ATOM 263 CD GLU A 17 -6.315 -1.618 10.277 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.788 -0.467 10.388 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.670 -2.625 10.926 1.00 0.00 O ATOM 0 H GLU A 17 -6.443 -3.402 5.720 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.978 -3.161 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.680 -1.324 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.834 -2.398 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.524 -2.602 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.608 -0.901 9.170 1.00 0.00 H new ATOM 272 N LYS A 18 -5.174 -5.783 7.474 1.00 0.00 N ATOM 273 CA LYS A 18 -5.369 -7.053 8.153 1.00 0.00 C ATOM 274 C LYS A 18 -4.090 -7.886 8.041 1.00 0.00 C ATOM 275 O LYS A 18 -4.005 -8.977 8.604 1.00 0.00 O ATOM 276 CB LYS A 18 -6.613 -7.762 7.616 1.00 0.00 C ATOM 277 CG LYS A 18 -7.540 -8.182 8.760 1.00 0.00 C ATOM 278 CD LYS A 18 -8.054 -9.608 8.554 1.00 0.00 C ATOM 279 CE LYS A 18 -9.468 -9.603 7.971 1.00 0.00 C ATOM 280 NZ LYS A 18 -10.254 -10.736 8.509 1.00 0.00 N ATOM 0 H LYS A 18 -4.960 -5.860 6.480 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.555 -6.893 9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.147 -7.101 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.317 -8.640 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.006 -8.118 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.383 -7.493 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.383 -10.147 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.051 -10.140 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.964 -8.662 8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.420 -9.670 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.211 -10.718 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.788 -11.632 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.315 -10.656 9.544 1.00 0.00 H new ATOM 294 N ILE A 19 -3.127 -7.341 7.312 1.00 0.00 N ATOM 295 CA ILE A 19 -1.857 -8.020 7.120 1.00 0.00 C ATOM 296 C ILE A 19 -0.914 -7.664 8.271 1.00 0.00 C ATOM 297 O ILE A 19 -0.842 -6.507 8.685 1.00 0.00 O ATOM 298 CB ILE A 19 -1.285 -7.705 5.737 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.321 -7.972 4.642 1.00 0.00 C ATOM 300 CG2 ILE A 19 0.016 -8.473 5.494 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.897 -6.662 4.101 1.00 0.00 C ATOM 0 H ILE A 19 -3.201 -6.436 6.847 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.996 -9.101 7.144 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.044 -6.643 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.860 -8.534 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.126 -8.590 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.402 -8.231 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.751 -8.192 6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.177 -9.544 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.630 -6.880 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.378 -6.114 4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.093 -6.057 3.681 1.00 0.00 H new ATOM 313 N ARG A 20 -0.215 -8.679 8.756 1.00 0.00 N ATOM 314 CA ARG A 20 0.721 -8.487 9.851 1.00 0.00 C ATOM 315 C ARG A 20 2.160 -8.490 9.327 1.00 0.00 C ATOM 316 O ARG A 20 2.477 -9.208 8.381 1.00 0.00 O ATOM 317 CB ARG A 20 0.568 -9.585 10.905 1.00 0.00 C ATOM 318 CG ARG A 20 -0.871 -9.653 11.421 1.00 0.00 C ATOM 319 CD ARG A 20 -1.221 -11.069 11.883 1.00 0.00 C ATOM 320 NE ARG A 20 -2.574 -11.436 11.406 1.00 0.00 N ATOM 321 CZ ARG A 20 -3.711 -11.047 11.999 1.00 0.00 C ATOM 322 NH1 ARG A 20 -3.666 -10.276 13.094 1.00 0.00 N ATOM 323 NH2 ARG A 20 -4.893 -11.429 11.496 1.00 0.00 N ATOM 0 H ARG A 20 -0.278 -9.637 8.411 1.00 0.00 H new ATOM 0 HA ARG A 20 0.500 -7.524 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.850 -10.547 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.247 -9.394 11.736 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.998 -8.955 12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.558 -9.343 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.487 -11.778 11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.182 -11.126 12.971 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.645 -12.022 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.766 -9.985 13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.532 -9.980 13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.927 -12.016 10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.759 -11.133 11.947 1.00 0.00 H new ATOM 337 N LEU A 21 2.989 -7.679 9.966 1.00 0.00 N ATOM 338 CA LEU A 21 4.386 -7.578 9.576 1.00 0.00 C ATOM 339 C LEU A 21 5.161 -8.756 10.169 1.00 0.00 C ATOM 340 O LEU A 21 6.043 -9.314 9.517 1.00 0.00 O ATOM 341 CB LEU A 21 4.953 -6.211 9.963 1.00 0.00 C ATOM 342 CG LEU A 21 3.945 -5.062 10.032 1.00 0.00 C ATOM 343 CD1 LEU A 21 4.655 -3.707 9.994 1.00 0.00 C ATOM 344 CD2 LEU A 21 2.893 -5.189 8.929 1.00 0.00 C ATOM 0 H LEU A 21 2.721 -7.085 10.751 1.00 0.00 H new ATOM 0 HA LEU A 21 4.486 -7.642 8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.437 -6.303 10.935 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.729 -5.945 9.245 1.00 0.00 H new ATOM 0 HG LEU A 21 3.421 -5.124 10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.916 -2.907 10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.334 -3.628 10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.222 -3.619 9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.189 -4.360 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.382 -5.166 7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.357 -6.131 9.044 1.00 0.00 H new ATOM 356 N ARG A 22 4.806 -9.100 11.399 1.00 0.00 N ATOM 357 CA ARG A 22 5.458 -10.201 12.086 1.00 0.00 C ATOM 358 C ARG A 22 4.603 -11.467 11.990 1.00 0.00 C ATOM 359 O ARG A 22 3.382 -11.388 11.879 1.00 0.00 O ATOM 360 CB ARG A 22 5.697 -9.866 13.559 1.00 0.00 C ATOM 361 CG ARG A 22 6.710 -8.728 13.706 1.00 0.00 C ATOM 362 CD ARG A 22 7.358 -8.745 15.091 1.00 0.00 C ATOM 363 NE ARG A 22 8.784 -9.124 14.978 1.00 0.00 N ATOM 364 CZ ARG A 22 9.739 -8.318 14.496 1.00 0.00 C ATOM 365 NH1 ARG A 22 9.426 -7.083 14.079 1.00 0.00 N ATOM 366 NH2 ARG A 22 11.008 -8.745 14.430 1.00 0.00 N ATOM 0 H ARG A 22 4.075 -8.635 11.937 1.00 0.00 H new ATOM 0 HA ARG A 22 6.420 -10.371 11.603 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.755 -9.582 14.028 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.060 -10.751 14.082 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.480 -8.820 12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.213 -7.771 13.545 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.270 -7.763 15.555 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.836 -9.451 15.737 1.00 0.00 H new ATOM 0 HE ARG A 22 9.057 -10.057 15.286 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.461 -6.757 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.153 -6.469 13.712 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.247 -9.685 14.747 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.734 -8.130 14.063 1.00 0.00 H new ATOM 380 N PRO A 23 5.299 -12.634 12.037 1.00 0.00 N ATOM 381 CA PRO A 23 4.618 -13.915 11.957 1.00 0.00 C ATOM 382 C PRO A 23 3.910 -14.243 13.273 1.00 0.00 C ATOM 383 O PRO A 23 2.794 -14.760 13.270 1.00 0.00 O ATOM 384 CB PRO A 23 5.705 -14.918 11.601 1.00 0.00 C ATOM 385 CG PRO A 23 7.022 -14.246 11.952 1.00 0.00 C ATOM 386 CD PRO A 23 6.747 -12.766 12.169 1.00 0.00 C ATOM 0 HA PRO A 23 3.826 -13.924 11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.579 -15.846 12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.668 -15.175 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.450 -14.691 12.851 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.748 -14.386 11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.086 -12.440 13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.269 -12.154 11.433 1.00 0.00 H new ATOM 394 N GLY A 24 4.588 -13.930 14.367 1.00 0.00 N ATOM 395 CA GLY A 24 4.038 -14.184 15.688 1.00 0.00 C ATOM 396 C GLY A 24 3.128 -13.039 16.133 1.00 0.00 C ATOM 397 O GLY A 24 2.431 -13.150 17.140 1.00 0.00 O ATOM 0 H GLY A 24 5.514 -13.502 14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.475 -15.117 15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.849 -14.308 16.406 1.00 0.00 H new ATOM 401 N GLY A 25 3.165 -11.962 15.361 1.00 0.00 N ATOM 402 CA GLY A 25 2.352 -10.796 15.663 1.00 0.00 C ATOM 403 C GLY A 25 3.228 -9.590 16.005 1.00 0.00 C ATOM 404 O GLY A 25 4.435 -9.730 16.198 1.00 0.00 O ATOM 0 H GLY A 25 3.745 -11.873 14.527 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.718 -10.559 14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.689 -11.017 16.500 1.00 0.00 H new ATOM 408 N LYS A 26 2.587 -8.433 16.070 1.00 0.00 N ATOM 409 CA LYS A 26 3.293 -7.202 16.386 1.00 0.00 C ATOM 410 C LYS A 26 2.443 -6.006 15.955 1.00 0.00 C ATOM 411 O LYS A 26 2.067 -5.177 16.782 1.00 0.00 O ATOM 412 CB LYS A 26 4.694 -7.216 15.770 1.00 0.00 C ATOM 413 CG LYS A 26 5.209 -5.792 15.549 1.00 0.00 C ATOM 414 CD LYS A 26 5.457 -5.086 16.883 1.00 0.00 C ATOM 415 CE LYS A 26 4.922 -3.653 16.853 1.00 0.00 C ATOM 416 NZ LYS A 26 3.731 -3.527 17.723 1.00 0.00 N ATOM 0 H LYS A 26 1.586 -8.321 15.909 1.00 0.00 H new ATOM 0 HA LYS A 26 3.443 -7.114 17.462 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.378 -7.757 16.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.672 -7.750 14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.133 -5.821 14.972 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.485 -5.226 14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.975 -5.641 17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.525 -5.075 17.099 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.697 -2.962 17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.664 -3.376 15.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.252 -2.625 17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.078 -4.314 17.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.025 -3.553 18.720 1.00 0.00 H new ATOM 430 N LYS A 27 2.165 -5.954 14.660 1.00 0.00 N ATOM 431 CA LYS A 27 1.365 -4.874 14.109 1.00 0.00 C ATOM 432 C LYS A 27 0.970 -5.219 12.672 1.00 0.00 C ATOM 433 O LYS A 27 1.616 -6.043 12.027 1.00 0.00 O ATOM 434 CB LYS A 27 2.104 -3.540 14.241 1.00 0.00 C ATOM 435 CG LYS A 27 3.191 -3.409 13.172 1.00 0.00 C ATOM 436 CD LYS A 27 3.889 -2.050 13.264 1.00 0.00 C ATOM 437 CE LYS A 27 5.410 -2.210 13.209 1.00 0.00 C ATOM 438 NZ LYS A 27 6.075 -0.901 13.394 1.00 0.00 N ATOM 0 H LYS A 27 2.480 -6.643 13.977 1.00 0.00 H new ATOM 0 HA LYS A 27 0.440 -4.758 14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.396 -2.717 14.148 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.552 -3.464 15.232 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.923 -4.207 13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.750 -3.529 12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.557 -1.411 12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.605 -1.553 14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.737 -2.904 13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.702 -2.641 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.107 -1.027 13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.776 -0.250 12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.810 -0.505 14.318 1.00 0.00 H new ATOM 452 N GLN A 28 -0.090 -4.570 12.212 1.00 0.00 N ATOM 453 CA GLN A 28 -0.579 -4.798 10.863 1.00 0.00 C ATOM 454 C GLN A 28 -0.470 -3.517 10.034 1.00 0.00 C ATOM 455 O GLN A 28 -0.188 -2.447 10.574 1.00 0.00 O ATOM 456 CB GLN A 28 -2.018 -5.317 10.882 1.00 0.00 C ATOM 457 CG GLN A 28 -2.087 -6.721 11.486 1.00 0.00 C ATOM 458 CD GLN A 28 -3.158 -6.797 12.576 1.00 0.00 C ATOM 459 OE1 GLN A 28 -4.343 -6.912 12.310 1.00 0.00 O ATOM 460 NE2 GLN A 28 -2.676 -6.727 13.815 1.00 0.00 N ATOM 0 H GLN A 28 -0.623 -3.887 12.749 1.00 0.00 H new ATOM 0 HA GLN A 28 0.043 -5.563 10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.646 -4.638 11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.416 -5.334 9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.307 -7.447 10.703 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.117 -6.989 11.905 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.672 -6.631 13.967 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.311 -6.769 14.612 1.00 0.00 H new ATOM 469 N TYR A 29 -0.698 -3.666 8.738 1.00 0.00 N ATOM 470 CA TYR A 29 -0.629 -2.534 7.831 1.00 0.00 C ATOM 471 C TYR A 29 -1.698 -1.493 8.170 1.00 0.00 C ATOM 472 O TYR A 29 -2.588 -1.752 8.979 1.00 0.00 O ATOM 473 CB TYR A 29 -0.905 -3.095 6.434 1.00 0.00 C ATOM 474 CG TYR A 29 0.305 -3.770 5.785 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.672 -5.044 6.169 1.00 0.00 C ATOM 476 CD2 TYR A 29 1.027 -3.106 4.815 1.00 0.00 C ATOM 477 CE1 TYR A 29 1.810 -5.679 5.558 1.00 0.00 C ATOM 478 CE2 TYR A 29 2.166 -3.741 4.203 1.00 0.00 C ATOM 479 CZ TYR A 29 2.501 -4.997 4.605 1.00 0.00 C ATOM 480 OH TYR A 29 3.576 -5.598 4.028 1.00 0.00 O ATOM 0 H TYR A 29 -0.931 -4.554 8.294 1.00 0.00 H new ATOM 0 HA TYR A 29 0.343 -2.045 7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.720 -3.816 6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.246 -2.285 5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.106 -5.564 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.738 -2.110 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.109 -6.675 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.740 -3.232 3.443 1.00 0.00 H new ATOM 0 HH TYR A 29 3.441 -6.569 4.017 1.00 0.00 H new ATOM 490 N LYS A 30 -1.576 -0.337 7.534 1.00 0.00 N ATOM 491 CA LYS A 30 -2.521 0.744 7.758 1.00 0.00 C ATOM 492 C LYS A 30 -2.195 1.904 6.814 1.00 0.00 C ATOM 493 O LYS A 30 -1.259 1.819 6.020 1.00 0.00 O ATOM 494 CB LYS A 30 -2.541 1.140 9.235 1.00 0.00 C ATOM 495 CG LYS A 30 -1.161 1.614 9.695 1.00 0.00 C ATOM 496 CD LYS A 30 -0.789 0.992 11.042 1.00 0.00 C ATOM 497 CE LYS A 30 -1.278 1.861 12.202 1.00 0.00 C ATOM 498 NZ LYS A 30 -2.399 1.201 12.906 1.00 0.00 N ATOM 0 H LYS A 30 -0.837 -0.125 6.864 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.535 0.419 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.273 1.932 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.857 0.289 9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.413 1.347 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.155 2.701 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.226 -0.004 11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.292 0.871 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.460 2.042 12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.598 2.833 11.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.719 1.804 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.185 1.050 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.082 0.284 13.281 1.00 0.00 H new ATOM 512 N LEU A 31 -2.986 2.961 6.932 1.00 0.00 N ATOM 513 CA LEU A 31 -2.793 4.135 6.100 1.00 0.00 C ATOM 514 C LEU A 31 -1.362 4.650 6.274 1.00 0.00 C ATOM 515 O LEU A 31 -0.844 5.357 5.412 1.00 0.00 O ATOM 516 CB LEU A 31 -3.865 5.186 6.400 1.00 0.00 C ATOM 517 CG LEU A 31 -4.536 5.825 5.182 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.514 6.563 4.316 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.322 4.785 4.381 1.00 0.00 C ATOM 0 H LEU A 31 -3.761 3.028 7.591 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.914 3.879 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.637 4.724 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.413 5.977 6.998 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.252 6.567 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.018 7.007 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.038 7.348 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.757 5.860 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.789 5.265 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.645 4.003 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.093 4.345 5.014 1.00 0.00 H new ATOM 531 N LYS A 32 -0.765 4.276 7.396 1.00 0.00 N ATOM 532 CA LYS A 32 0.594 4.690 7.695 1.00 0.00 C ATOM 533 C LYS A 32 1.554 4.029 6.703 1.00 0.00 C ATOM 534 O LYS A 32 2.445 4.686 6.165 1.00 0.00 O ATOM 535 CB LYS A 32 0.932 4.405 9.159 1.00 0.00 C ATOM 536 CG LYS A 32 2.226 5.110 9.571 1.00 0.00 C ATOM 537 CD LYS A 32 2.565 4.823 11.036 1.00 0.00 C ATOM 538 CE LYS A 32 3.803 5.606 11.475 1.00 0.00 C ATOM 539 NZ LYS A 32 3.433 6.987 11.861 1.00 0.00 N ATOM 0 H LYS A 32 -1.199 3.690 8.109 1.00 0.00 H new ATOM 0 HA LYS A 32 0.699 5.768 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.113 4.739 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.036 3.330 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.045 4.777 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.122 6.185 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.718 5.090 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.739 3.755 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.280 5.102 12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.531 5.631 10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.285 7.505 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.998 7.470 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.755 6.957 12.649 1.00 0.00 H new ATOM 553 N HIS A 33 1.339 2.740 6.491 1.00 0.00 N ATOM 554 CA HIS A 33 2.173 1.983 5.572 1.00 0.00 C ATOM 555 C HIS A 33 1.870 2.408 4.134 1.00 0.00 C ATOM 556 O HIS A 33 2.770 2.463 3.297 1.00 0.00 O ATOM 557 CB HIS A 33 2.000 0.479 5.795 1.00 0.00 C ATOM 558 CG HIS A 33 2.222 0.040 7.223 1.00 0.00 C ATOM 559 ND1 HIS A 33 2.226 0.754 8.384 1.00 0.00 N flip ATOM 560 CD2 HIS A 33 2.478 -1.275 7.572 1.00 0.00 C flip ATOM 561 CE1 HIS A 33 2.469 -0.079 9.389 1.00 0.00 C flip ATOM 562 NE2 HIS A 33 2.625 -1.339 8.886 1.00 0.00 N flip ATOM 0 H HIS A 33 0.599 2.200 6.940 1.00 0.00 H new ATOM 0 HA HIS A 33 3.223 2.202 5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.994 0.190 5.489 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.696 -0.056 5.149 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.069 1.758 8.467 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.546 -2.108 6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.533 0.195 10.432 1.00 0.00 H new ATOM 571 N ILE A 34 0.601 2.700 3.892 1.00 0.00 N ATOM 572 CA ILE A 34 0.168 3.119 2.570 1.00 0.00 C ATOM 573 C ILE A 34 0.795 4.475 2.239 1.00 0.00 C ATOM 574 O ILE A 34 1.255 4.695 1.119 1.00 0.00 O ATOM 575 CB ILE A 34 -1.358 3.108 2.478 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.901 1.679 2.547 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.837 3.842 1.223 1.00 0.00 C ATOM 578 CD1 ILE A 34 -2.005 1.062 1.151 1.00 0.00 C ATOM 0 H ILE A 34 -0.142 2.655 4.589 1.00 0.00 H new ATOM 0 HA ILE A 34 0.514 2.414 1.814 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.756 3.646 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.248 1.068 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.883 1.682 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.926 3.819 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.496 4.877 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.430 3.353 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.394 0.047 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.678 1.661 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.018 1.038 0.689 1.00 0.00 H new ATOM 590 N VAL A 35 0.793 5.351 3.234 1.00 0.00 N ATOM 591 CA VAL A 35 1.355 6.679 3.063 1.00 0.00 C ATOM 592 C VAL A 35 2.870 6.568 2.882 1.00 0.00 C ATOM 593 O VAL A 35 3.461 7.306 2.095 1.00 0.00 O ATOM 594 CB VAL A 35 0.957 7.572 4.241 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.889 8.779 4.353 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.503 8.015 4.124 1.00 0.00 C ATOM 0 H VAL A 35 0.411 5.166 4.161 1.00 0.00 H new ATOM 0 HA VAL A 35 0.954 7.150 2.166 1.00 0.00 H new ATOM 0 HB VAL A 35 1.057 6.986 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.584 9.397 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.912 8.436 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.836 9.366 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.760 8.648 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.640 8.575 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.150 7.138 4.116 1.00 0.00 H new ATOM 606 N TRP A 36 3.456 5.640 3.626 1.00 0.00 N ATOM 607 CA TRP A 36 4.892 5.423 3.557 1.00 0.00 C ATOM 608 C TRP A 36 5.230 4.942 2.144 1.00 0.00 C ATOM 609 O TRP A 36 6.143 5.467 1.508 1.00 0.00 O ATOM 610 CB TRP A 36 5.351 4.451 4.645 1.00 0.00 C ATOM 611 CG TRP A 36 6.819 4.036 4.530 1.00 0.00 C ATOM 612 CD1 TRP A 36 7.907 4.808 4.662 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.318 2.711 4.253 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.066 4.080 4.489 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.697 2.765 4.233 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.629 1.508 4.026 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.504 1.646 3.991 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.449 0.399 3.785 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.839 0.436 3.762 1.00 0.00 C ATOM 0 H TRP A 36 2.963 5.031 4.279 1.00 0.00 H new ATOM 0 HA TRP A 36 5.433 6.350 3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.189 4.911 5.620 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.728 3.558 4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.880 5.866 4.877 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.019 4.441 4.540 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.551 1.444 4.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.582 1.713 3.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.969 -0.551 3.604 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.403 -0.465 3.568 1.00 0.00 H new ATOM 630 N ALA A 37 4.477 3.949 1.696 1.00 0.00 N ATOM 631 CA ALA A 37 4.686 3.391 0.370 1.00 0.00 C ATOM 632 C ALA A 37 4.512 4.494 -0.676 1.00 0.00 C ATOM 633 O ALA A 37 5.214 4.514 -1.685 1.00 0.00 O ATOM 634 CB ALA A 37 3.723 2.222 0.150 1.00 0.00 C ATOM 0 H ALA A 37 3.721 3.516 2.227 1.00 0.00 H new ATOM 0 HA ALA A 37 5.699 3.001 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.880 1.804 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.907 1.453 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.696 2.576 0.237 1.00 0.00 H new ATOM 640 N SER A 38 3.572 5.386 -0.398 1.00 0.00 N ATOM 641 CA SER A 38 3.297 6.490 -1.303 1.00 0.00 C ATOM 642 C SER A 38 4.513 7.413 -1.386 1.00 0.00 C ATOM 643 O SER A 38 4.875 7.873 -2.469 1.00 0.00 O ATOM 644 CB SER A 38 2.064 7.276 -0.853 1.00 0.00 C ATOM 645 OG SER A 38 1.746 8.333 -1.755 1.00 0.00 O ATOM 0 H SER A 38 2.992 5.367 0.441 1.00 0.00 H new ATOM 0 HA SER A 38 3.092 6.079 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.213 6.600 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.239 7.688 0.141 1.00 0.00 H new ATOM 0 HG SER A 38 0.952 8.810 -1.434 1.00 0.00 H new ATOM 651 N ARG A 39 5.112 7.657 -0.230 1.00 0.00 N ATOM 652 CA ARG A 39 6.281 8.517 -0.159 1.00 0.00 C ATOM 653 C ARG A 39 7.436 7.911 -0.958 1.00 0.00 C ATOM 654 O ARG A 39 8.131 8.617 -1.686 1.00 0.00 O ATOM 655 CB ARG A 39 6.726 8.724 1.291 1.00 0.00 C ATOM 656 CG ARG A 39 7.511 10.028 1.442 1.00 0.00 C ATOM 657 CD ARG A 39 7.582 10.458 2.909 1.00 0.00 C ATOM 658 NE ARG A 39 7.622 11.934 3.002 1.00 0.00 N ATOM 659 CZ ARG A 39 7.539 12.617 4.153 1.00 0.00 C ATOM 660 NH1 ARG A 39 7.413 11.960 5.313 1.00 0.00 N ATOM 661 NH2 ARG A 39 7.584 13.956 4.142 1.00 0.00 N ATOM 0 H ARG A 39 4.810 7.274 0.666 1.00 0.00 H new ATOM 0 HA ARG A 39 6.008 9.483 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.853 8.743 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.344 7.884 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.519 9.898 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.037 10.812 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.718 10.074 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.468 10.032 3.379 1.00 0.00 H new ATOM 0 HE ARG A 39 7.719 12.465 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.380 10.941 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.350 12.479 6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.681 14.456 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.521 14.476 5.017 1.00 0.00 H new ATOM 675 N GLU A 40 7.606 6.606 -0.795 1.00 0.00 N ATOM 676 CA GLU A 40 8.665 5.897 -1.491 1.00 0.00 C ATOM 677 C GLU A 40 8.377 5.856 -2.993 1.00 0.00 C ATOM 678 O GLU A 40 9.290 5.983 -3.808 1.00 0.00 O ATOM 679 CB GLU A 40 8.842 4.485 -0.928 1.00 0.00 C ATOM 680 CG GLU A 40 10.260 3.968 -1.179 1.00 0.00 C ATOM 681 CD GLU A 40 11.303 4.951 -0.644 1.00 0.00 C ATOM 682 OE1 GLU A 40 11.579 4.880 0.574 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.804 5.751 -1.464 1.00 0.00 O ATOM 0 H GLU A 40 7.027 6.022 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 40 9.600 6.435 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.636 4.488 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.119 3.812 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.388 2.998 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.412 3.816 -2.248 1.00 0.00 H new ATOM 690 N LEU A 41 7.105 5.677 -3.315 1.00 0.00 N ATOM 691 CA LEU A 41 6.685 5.618 -4.705 1.00 0.00 C ATOM 692 C LEU A 41 7.094 6.911 -5.412 1.00 0.00 C ATOM 693 O LEU A 41 7.702 6.873 -6.481 1.00 0.00 O ATOM 694 CB LEU A 41 5.189 5.311 -4.801 1.00 0.00 C ATOM 695 CG LEU A 41 4.817 3.843 -5.022 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.343 3.342 -6.368 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.300 2.974 -3.859 1.00 0.00 C ATOM 0 H LEU A 41 6.350 5.571 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 41 7.188 4.800 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.709 5.653 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.770 5.898 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 41 3.730 3.766 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.065 2.296 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.910 3.937 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.429 3.435 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.023 1.936 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.384 3.051 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.838 3.316 -2.933 1.00 0.00 H new ATOM 709 N GLU A 42 6.745 8.026 -4.788 1.00 0.00 N ATOM 710 CA GLU A 42 7.068 9.328 -5.343 1.00 0.00 C ATOM 711 C GLU A 42 8.585 9.528 -5.382 1.00 0.00 C ATOM 712 O GLU A 42 9.114 10.110 -6.328 1.00 0.00 O ATOM 713 CB GLU A 42 6.388 10.447 -4.552 1.00 0.00 C ATOM 714 CG GLU A 42 6.638 11.809 -5.202 1.00 0.00 C ATOM 715 CD GLU A 42 5.339 12.397 -5.759 1.00 0.00 C ATOM 716 OE1 GLU A 42 4.534 11.598 -6.283 1.00 0.00 O ATOM 717 OE2 GLU A 42 5.182 13.632 -5.648 1.00 0.00 O ATOM 0 H GLU A 42 6.241 8.054 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 42 6.689 9.369 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.316 10.258 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.764 10.454 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.066 12.493 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.368 11.704 -6.005 1.00 0.00 H new ATOM 724 N ARG A 43 9.241 9.034 -4.343 1.00 0.00 N ATOM 725 CA ARG A 43 10.686 9.151 -4.246 1.00 0.00 C ATOM 726 C ARG A 43 11.361 8.262 -5.293 1.00 0.00 C ATOM 727 O ARG A 43 12.516 8.488 -5.653 1.00 0.00 O ATOM 728 CB ARG A 43 11.178 8.750 -2.853 1.00 0.00 C ATOM 729 CG ARG A 43 11.105 9.933 -1.885 1.00 0.00 C ATOM 730 CD ARG A 43 12.502 10.357 -1.429 1.00 0.00 C ATOM 731 NE ARG A 43 12.399 11.310 -0.302 1.00 0.00 N ATOM 732 CZ ARG A 43 13.447 11.934 0.253 1.00 0.00 C ATOM 733 NH1 ARG A 43 14.684 11.708 -0.212 1.00 0.00 N ATOM 734 NH2 ARG A 43 13.259 12.782 1.272 1.00 0.00 N ATOM 0 H ARG A 43 8.799 8.552 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 43 10.948 10.194 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.574 7.926 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.205 8.389 -2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.606 10.773 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.503 9.661 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.075 9.481 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.040 10.818 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 43 11.472 11.504 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.827 11.061 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.482 12.183 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.318 12.953 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.057 13.257 1.694 1.00 0.00 H new ATOM 748 N PHE A 44 10.613 7.269 -5.752 1.00 0.00 N ATOM 749 CA PHE A 44 11.125 6.346 -6.750 1.00 0.00 C ATOM 750 C PHE A 44 10.942 6.908 -8.161 1.00 0.00 C ATOM 751 O PHE A 44 11.095 6.186 -9.146 1.00 0.00 O ATOM 752 CB PHE A 44 10.317 5.053 -6.620 1.00 0.00 C ATOM 753 CG PHE A 44 10.977 3.995 -5.733 1.00 0.00 C ATOM 754 CD1 PHE A 44 11.563 4.359 -4.561 1.00 0.00 C ATOM 755 CD2 PHE A 44 10.975 2.690 -6.116 1.00 0.00 C ATOM 756 CE1 PHE A 44 12.174 3.377 -3.738 1.00 0.00 C ATOM 757 CE2 PHE A 44 11.587 1.708 -5.293 1.00 0.00 C ATOM 758 CZ PHE A 44 12.173 2.072 -4.121 1.00 0.00 C ATOM 0 H PHE A 44 9.656 7.084 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 44 12.190 6.178 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.333 5.290 -6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.160 4.633 -7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.563 5.395 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.508 2.401 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.640 3.666 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.587 0.672 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.637 1.325 -3.495 1.00 0.00 H new ATOM 768 N ALA A 45 10.615 8.191 -8.217 1.00 0.00 N ATOM 769 CA ALA A 45 10.409 8.857 -9.490 1.00 0.00 C ATOM 770 C ALA A 45 9.300 8.140 -10.263 1.00 0.00 C ATOM 771 O ALA A 45 9.326 8.092 -11.492 1.00 0.00 O ATOM 772 CB ALA A 45 11.728 8.897 -10.265 1.00 0.00 C ATOM 0 H ALA A 45 10.488 8.787 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 45 10.090 9.888 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.573 9.397 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.474 9.443 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.078 7.880 -10.440 1.00 0.00 H new ATOM 778 N VAL A 46 8.353 7.598 -9.511 1.00 0.00 N ATOM 779 CA VAL A 46 7.238 6.885 -10.110 1.00 0.00 C ATOM 780 C VAL A 46 5.924 7.495 -9.616 1.00 0.00 C ATOM 781 O VAL A 46 5.857 8.019 -8.505 1.00 0.00 O ATOM 782 CB VAL A 46 7.352 5.390 -9.811 1.00 0.00 C ATOM 783 CG1 VAL A 46 7.081 5.104 -8.333 1.00 0.00 C ATOM 784 CG2 VAL A 46 6.415 4.578 -10.707 1.00 0.00 C ATOM 0 H VAL A 46 8.335 7.638 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 46 7.257 6.988 -11.195 1.00 0.00 H new ATOM 0 HB VAL A 46 8.375 5.082 -10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.169 4.033 -8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.806 5.639 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.075 5.436 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.516 3.518 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.385 4.891 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.675 4.746 -11.752 1.00 0.00 H new ATOM 794 N ASN A 47 4.912 7.407 -10.466 1.00 0.00 N ATOM 795 CA ASN A 47 3.604 7.944 -10.130 1.00 0.00 C ATOM 796 C ASN A 47 2.914 7.008 -9.136 1.00 0.00 C ATOM 797 O ASN A 47 2.972 5.788 -9.282 1.00 0.00 O ATOM 798 CB ASN A 47 2.717 8.050 -11.372 1.00 0.00 C ATOM 799 CG ASN A 47 2.719 9.476 -11.927 1.00 0.00 C ATOM 800 OD1 ASN A 47 3.341 10.378 -11.390 1.00 0.00 O ATOM 801 ND2 ASN A 47 1.992 9.628 -13.029 1.00 0.00 N ATOM 0 H ASN A 47 4.971 6.972 -11.387 1.00 0.00 H new ATOM 0 HA ASN A 47 3.746 8.936 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.071 7.358 -12.136 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.698 7.755 -11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.930 10.542 -13.477 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.496 8.830 -13.427 1.00 0.00 H new ATOM 808 N PRO A 48 2.259 7.631 -8.120 1.00 0.00 N ATOM 809 CA PRO A 48 1.558 6.868 -7.100 1.00 0.00 C ATOM 810 C PRO A 48 0.246 6.302 -7.646 1.00 0.00 C ATOM 811 O PRO A 48 -0.151 5.192 -7.290 1.00 0.00 O ATOM 812 CB PRO A 48 1.354 7.841 -5.952 1.00 0.00 C ATOM 813 CG PRO A 48 1.528 9.230 -6.544 1.00 0.00 C ATOM 814 CD PRO A 48 2.168 9.074 -7.914 1.00 0.00 C ATOM 0 HA PRO A 48 2.118 5.994 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.363 7.725 -5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.077 7.663 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.565 9.733 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.154 9.845 -5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.565 9.547 -8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.152 9.541 -7.947 1.00 0.00 H new ATOM 822 N GLY A 49 -0.392 7.088 -8.500 1.00 0.00 N ATOM 823 CA GLY A 49 -1.652 6.679 -9.098 1.00 0.00 C ATOM 824 C GLY A 49 -1.465 5.440 -9.976 1.00 0.00 C ATOM 825 O GLY A 49 -2.351 4.591 -10.054 1.00 0.00 O ATOM 0 H GLY A 49 -0.060 8.007 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.379 6.467 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.057 7.495 -9.696 1.00 0.00 H new ATOM 829 N LEU A 50 -0.306 5.376 -10.616 1.00 0.00 N ATOM 830 CA LEU A 50 0.008 4.256 -11.486 1.00 0.00 C ATOM 831 C LEU A 50 0.110 2.979 -10.648 1.00 0.00 C ATOM 832 O LEU A 50 0.092 1.875 -11.189 1.00 0.00 O ATOM 833 CB LEU A 50 1.262 4.553 -12.310 1.00 0.00 C ATOM 834 CG LEU A 50 2.403 3.541 -12.182 1.00 0.00 C ATOM 835 CD1 LEU A 50 2.840 3.388 -10.724 1.00 0.00 C ATOM 836 CD2 LEU A 50 2.021 2.200 -12.809 1.00 0.00 C ATOM 0 H LEU A 50 0.427 6.082 -10.549 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.791 4.100 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.976 4.618 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.639 5.534 -12.021 1.00 0.00 H new ATOM 0 HG LEU A 50 3.260 3.923 -12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.652 2.663 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.183 4.350 -10.344 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.997 3.041 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.850 1.500 -12.704 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.142 1.800 -12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.799 2.343 -13.866 1.00 0.00 H new ATOM 848 N LEU A 51 0.215 3.173 -9.342 1.00 0.00 N ATOM 849 CA LEU A 51 0.320 2.051 -8.424 1.00 0.00 C ATOM 850 C LEU A 51 -1.081 1.632 -7.975 1.00 0.00 C ATOM 851 O LEU A 51 -1.232 0.690 -7.198 1.00 0.00 O ATOM 852 CB LEU A 51 1.260 2.392 -7.267 1.00 0.00 C ATOM 853 CG LEU A 51 0.612 2.499 -5.885 1.00 0.00 C ATOM 854 CD1 LEU A 51 0.555 1.132 -5.200 1.00 0.00 C ATOM 855 CD2 LEU A 51 1.326 3.542 -5.023 1.00 0.00 C ATOM 0 H LEU A 51 0.230 4.091 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 51 0.766 1.191 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.040 1.632 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.750 3.339 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.416 2.838 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.090 1.235 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.032 0.444 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.566 0.741 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.845 3.598 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.371 3.257 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.272 4.516 -5.510 1.00 0.00 H new ATOM 867 N GLU A 52 -2.071 2.353 -8.483 1.00 0.00 N ATOM 868 CA GLU A 52 -3.454 2.067 -8.144 1.00 0.00 C ATOM 869 C GLU A 52 -3.943 0.832 -8.902 1.00 0.00 C ATOM 870 O GLU A 52 -5.063 0.370 -8.688 1.00 0.00 O ATOM 871 CB GLU A 52 -4.349 3.275 -8.429 1.00 0.00 C ATOM 872 CG GLU A 52 -4.763 3.316 -9.901 1.00 0.00 C ATOM 873 CD GLU A 52 -5.264 4.707 -10.292 1.00 0.00 C ATOM 874 OE1 GLU A 52 -4.757 5.682 -9.696 1.00 0.00 O ATOM 875 OE2 GLU A 52 -6.144 4.766 -11.179 1.00 0.00 O ATOM 0 H GLU A 52 -1.942 3.134 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.510 1.858 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.237 3.231 -7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.820 4.193 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.915 3.042 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.546 2.579 -10.083 1.00 0.00 H new ATOM 882 N THR A 53 -3.079 0.331 -9.774 1.00 0.00 N ATOM 883 CA THR A 53 -3.409 -0.841 -10.565 1.00 0.00 C ATOM 884 C THR A 53 -2.543 -2.031 -10.143 1.00 0.00 C ATOM 885 O THR A 53 -1.370 -1.862 -9.815 1.00 0.00 O ATOM 886 CB THR A 53 -3.257 -0.473 -12.042 1.00 0.00 C ATOM 887 OG1 THR A 53 -1.849 -0.487 -12.261 1.00 0.00 O ATOM 888 CG2 THR A 53 -3.665 0.974 -12.330 1.00 0.00 C ATOM 0 H THR A 53 -2.151 0.716 -9.949 1.00 0.00 H new ATOM 0 HA THR A 53 -4.440 -1.153 -10.397 1.00 0.00 H new ATOM 0 HB THR A 53 -3.861 -1.148 -12.648 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.452 0.328 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.538 1.183 -13.392 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.709 1.119 -12.054 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.038 1.651 -11.749 1.00 0.00 H new ATOM 896 N SER A 54 -3.155 -3.205 -10.166 1.00 0.00 N ATOM 897 CA SER A 54 -2.456 -4.421 -9.790 1.00 0.00 C ATOM 898 C SER A 54 -1.209 -4.598 -10.660 1.00 0.00 C ATOM 899 O SER A 54 -0.196 -5.122 -10.201 1.00 0.00 O ATOM 900 CB SER A 54 -3.367 -5.643 -9.915 1.00 0.00 C ATOM 901 OG SER A 54 -3.048 -6.647 -8.956 1.00 0.00 O ATOM 0 H SER A 54 -4.128 -3.340 -10.439 1.00 0.00 H new ATOM 0 HA SER A 54 -2.155 -4.332 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.405 -5.336 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.279 -6.059 -10.919 1.00 0.00 H new ATOM 0 HG SER A 54 -2.078 -6.788 -8.940 1.00 0.00 H new ATOM 907 N GLU A 55 -1.326 -4.150 -11.902 1.00 0.00 N ATOM 908 CA GLU A 55 -0.221 -4.253 -12.841 1.00 0.00 C ATOM 909 C GLU A 55 0.901 -3.289 -12.447 1.00 0.00 C ATOM 910 O GLU A 55 2.077 -3.643 -12.505 1.00 0.00 O ATOM 911 CB GLU A 55 -0.692 -3.991 -14.272 1.00 0.00 C ATOM 912 CG GLU A 55 -0.263 -5.124 -15.207 1.00 0.00 C ATOM 913 CD GLU A 55 0.069 -4.589 -16.601 1.00 0.00 C ATOM 914 OE1 GLU A 55 -0.745 -3.790 -17.111 1.00 0.00 O ATOM 915 OE2 GLU A 55 1.131 -4.990 -17.125 1.00 0.00 O ATOM 0 H GLU A 55 -2.168 -3.715 -12.280 1.00 0.00 H new ATOM 0 HA GLU A 55 0.170 -5.270 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.777 -3.892 -14.289 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.280 -3.046 -14.627 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.607 -5.633 -14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.061 -5.863 -15.278 1.00 0.00 H new ATOM 922 N GLY A 56 0.497 -2.089 -12.057 1.00 0.00 N ATOM 923 CA GLY A 56 1.453 -1.072 -11.654 1.00 0.00 C ATOM 924 C GLY A 56 2.145 -1.457 -10.346 1.00 0.00 C ATOM 925 O GLY A 56 3.347 -1.243 -10.187 1.00 0.00 O ATOM 0 H GLY A 56 -0.480 -1.798 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.198 -0.938 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.943 -0.116 -11.532 1.00 0.00 H new ATOM 929 N CYS A 57 1.358 -2.019 -9.440 1.00 0.00 N ATOM 930 CA CYS A 57 1.880 -2.436 -8.150 1.00 0.00 C ATOM 931 C CYS A 57 2.906 -3.546 -8.383 1.00 0.00 C ATOM 932 O CYS A 57 3.987 -3.533 -7.794 1.00 0.00 O ATOM 933 CB CYS A 57 0.763 -2.882 -7.204 1.00 0.00 C ATOM 934 SG CYS A 57 1.450 -3.230 -5.544 1.00 0.00 S ATOM 0 H CYS A 57 0.362 -2.195 -9.574 1.00 0.00 H new ATOM 0 HA CYS A 57 2.364 -1.591 -7.661 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.001 -2.105 -7.136 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.275 -3.773 -7.599 1.00 0.00 H new ATOM 0 HG CYS A 57 1.620 -2.113 -4.902 1.00 0.00 H new ATOM 940 N ARG A 58 2.533 -4.482 -9.244 1.00 0.00 N ATOM 941 CA ARG A 58 3.408 -5.598 -9.563 1.00 0.00 C ATOM 942 C ARG A 58 4.637 -5.107 -10.332 1.00 0.00 C ATOM 943 O ARG A 58 5.736 -5.627 -10.149 1.00 0.00 O ATOM 944 CB ARG A 58 2.677 -6.649 -10.399 1.00 0.00 C ATOM 945 CG ARG A 58 2.974 -8.060 -9.890 1.00 0.00 C ATOM 946 CD ARG A 58 2.432 -9.118 -10.853 1.00 0.00 C ATOM 947 NE ARG A 58 3.434 -9.407 -11.903 1.00 0.00 N ATOM 948 CZ ARG A 58 3.208 -10.202 -12.958 1.00 0.00 C ATOM 949 NH1 ARG A 58 2.015 -10.793 -13.109 1.00 0.00 N ATOM 950 NH2 ARG A 58 4.176 -10.407 -13.861 1.00 0.00 N ATOM 0 H ARG A 58 1.637 -4.490 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 58 3.722 -6.052 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.603 -6.464 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.980 -6.564 -11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.050 -8.188 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.527 -8.197 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.192 -10.030 -10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.506 -8.767 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 58 4.354 -8.974 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.278 -10.638 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.844 -11.398 -13.912 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.085 -9.958 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.004 -11.012 -14.664 1.00 0.00 H new ATOM 964 N GLN A 59 4.407 -4.111 -11.175 1.00 0.00 N ATOM 965 CA GLN A 59 5.481 -3.544 -11.972 1.00 0.00 C ATOM 966 C GLN A 59 6.548 -2.927 -11.065 1.00 0.00 C ATOM 967 O GLN A 59 7.733 -3.222 -11.206 1.00 0.00 O ATOM 968 CB GLN A 59 4.941 -2.511 -12.965 1.00 0.00 C ATOM 969 CG GLN A 59 4.695 -3.144 -14.335 1.00 0.00 C ATOM 970 CD GLN A 59 5.986 -3.732 -14.908 1.00 0.00 C ATOM 971 OE1 GLN A 59 7.087 -3.386 -14.509 1.00 0.00 O ATOM 972 NE2 GLN A 59 5.792 -4.635 -15.865 1.00 0.00 N ATOM 0 H GLN A 59 3.493 -3.683 -11.323 1.00 0.00 H new ATOM 0 HA GLN A 59 5.942 -4.347 -12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.012 -2.087 -12.584 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.651 -1.689 -13.062 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.942 -3.927 -14.248 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.297 -2.395 -15.020 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.844 -4.879 -16.152 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.591 -5.084 -16.312 1.00 0.00 H new ATOM 981 N ILE A 60 6.087 -2.083 -10.154 1.00 0.00 N ATOM 982 CA ILE A 60 6.987 -1.421 -9.224 1.00 0.00 C ATOM 983 C ILE A 60 7.741 -2.477 -8.413 1.00 0.00 C ATOM 984 O ILE A 60 8.964 -2.428 -8.308 1.00 0.00 O ATOM 985 CB ILE A 60 6.222 -0.414 -8.362 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.553 0.653 -9.231 1.00 0.00 C ATOM 987 CG2 ILE A 60 7.133 0.201 -7.298 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.315 1.226 -8.539 1.00 0.00 C ATOM 0 H ILE A 60 5.102 -1.842 -10.040 1.00 0.00 H new ATOM 0 HA ILE A 60 7.734 -0.840 -9.765 1.00 0.00 H new ATOM 0 HB ILE A 60 5.429 -0.946 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.262 1.455 -9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.270 0.221 -10.191 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.564 0.913 -6.700 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.522 -0.587 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.963 0.716 -7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.858 1.982 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.598 0.426 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.605 1.679 -7.591 1.00 0.00 H new ATOM 1000 N LEU A 61 6.977 -3.408 -7.859 1.00 0.00 N ATOM 1001 CA LEU A 61 7.557 -4.474 -7.060 1.00 0.00 C ATOM 1002 C LEU A 61 8.606 -5.215 -7.892 1.00 0.00 C ATOM 1003 O LEU A 61 9.641 -5.627 -7.369 1.00 0.00 O ATOM 1004 CB LEU A 61 6.460 -5.383 -6.502 1.00 0.00 C ATOM 1005 CG LEU A 61 6.938 -6.628 -5.751 1.00 0.00 C ATOM 1006 CD1 LEU A 61 7.093 -6.341 -4.257 1.00 0.00 C ATOM 1007 CD2 LEU A 61 6.011 -7.816 -6.014 1.00 0.00 C ATOM 0 H LEU A 61 5.962 -3.446 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 61 8.071 -4.063 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.835 -4.795 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.825 -5.703 -7.328 1.00 0.00 H new ATOM 0 HG LEU A 61 7.923 -6.899 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.434 -7.242 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.823 -5.545 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.133 -6.031 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.373 -8.688 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.003 -7.572 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.996 -8.036 -7.081 1.00 0.00 H new ATOM 1019 N GLY A 62 8.302 -5.364 -9.173 1.00 0.00 N ATOM 1020 CA GLY A 62 9.206 -6.048 -10.082 1.00 0.00 C ATOM 1021 C GLY A 62 10.399 -5.160 -10.441 1.00 0.00 C ATOM 1022 O GLY A 62 11.458 -5.660 -10.817 1.00 0.00 O ATOM 0 H GLY A 62 7.442 -5.023 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.560 -6.971 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.671 -6.329 -10.989 1.00 0.00 H new ATOM 1026 N GLN A 63 10.187 -3.859 -10.312 1.00 0.00 N ATOM 1027 CA GLN A 63 11.232 -2.897 -10.618 1.00 0.00 C ATOM 1028 C GLN A 63 12.298 -2.904 -9.520 1.00 0.00 C ATOM 1029 O GLN A 63 13.492 -2.835 -9.810 1.00 0.00 O ATOM 1030 CB GLN A 63 10.649 -1.495 -10.806 1.00 0.00 C ATOM 1031 CG GLN A 63 11.575 -0.626 -11.660 1.00 0.00 C ATOM 1032 CD GLN A 63 11.226 0.857 -11.511 1.00 0.00 C ATOM 1033 OE1 GLN A 63 10.572 1.275 -10.570 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.699 1.624 -12.489 1.00 0.00 N ATOM 0 H GLN A 63 9.307 -3.448 -10.000 1.00 0.00 H new ATOM 0 HA GLN A 63 11.703 -3.188 -11.557 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.670 -1.565 -11.280 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.499 -1.026 -9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.611 -0.791 -11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.492 -0.919 -12.706 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.240 1.208 -13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.521 2.628 -12.481 1.00 0.00 H new ATOM 1043 N LEU A 64 11.829 -2.989 -8.285 1.00 0.00 N ATOM 1044 CA LEU A 64 12.728 -3.006 -7.143 1.00 0.00 C ATOM 1045 C LEU A 64 13.015 -4.456 -6.747 1.00 0.00 C ATOM 1046 O LEU A 64 13.905 -4.718 -5.939 1.00 0.00 O ATOM 1047 CB LEU A 64 12.161 -2.159 -6.002 1.00 0.00 C ATOM 1048 CG LEU A 64 10.765 -2.546 -5.508 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.765 -3.958 -4.918 1.00 0.00 C ATOM 1050 CD2 LEU A 64 10.225 -1.511 -4.520 1.00 0.00 C ATOM 0 H LEU A 64 10.838 -3.047 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 64 13.683 -2.550 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.850 -2.212 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.134 -1.119 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 64 10.090 -2.554 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.761 -4.209 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.076 -4.671 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.458 -4.001 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.232 -1.811 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.893 -1.445 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.165 -0.538 -5.009 1.00 0.00 H new ATOM 1062 N GLN A 65 12.246 -5.361 -7.336 1.00 0.00 N ATOM 1063 CA GLN A 65 12.408 -6.776 -7.056 1.00 0.00 C ATOM 1064 C GLN A 65 13.891 -7.123 -6.906 1.00 0.00 C ATOM 1065 O GLN A 65 14.296 -7.717 -5.908 1.00 0.00 O ATOM 1066 CB GLN A 65 11.754 -7.629 -8.145 1.00 0.00 C ATOM 1067 CG GLN A 65 10.547 -8.392 -7.593 1.00 0.00 C ATOM 1068 CD GLN A 65 10.962 -9.764 -7.061 1.00 0.00 C ATOM 1069 OE1 GLN A 65 11.777 -9.714 -6.010 1.00 0.00 O flip ATOM 1070 NE2 GLN A 65 10.569 -10.801 -7.570 1.00 0.00 N flip ATOM 0 H GLN A 65 11.509 -5.140 -8.006 1.00 0.00 H new ATOM 0 HA GLN A 65 11.906 -6.999 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.439 -6.992 -8.971 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.482 -8.334 -8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.081 -7.814 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.799 -8.513 -8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.944 -10.769 -8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.865 -11.700 -7.190 1.00 0.00 H new ATOM 1079 N PRO A 66 14.681 -6.724 -7.938 1.00 0.00 N ATOM 1080 CA PRO A 66 16.110 -6.986 -7.932 1.00 0.00 C ATOM 1081 C PRO A 66 16.835 -6.044 -6.968 1.00 0.00 C ATOM 1082 O PRO A 66 17.845 -6.415 -6.373 1.00 0.00 O ATOM 1083 CB PRO A 66 16.549 -6.811 -9.376 1.00 0.00 C ATOM 1084 CG PRO A 66 15.450 -6.009 -10.052 1.00 0.00 C ATOM 1085 CD PRO A 66 14.237 -6.017 -9.136 1.00 0.00 C ATOM 0 HA PRO A 66 16.353 -7.987 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.504 -6.289 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.683 -7.777 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.782 -4.987 -10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.200 -6.444 -11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.912 -5.004 -8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.391 -6.522 -9.603 1.00 0.00 H new ATOM 1093 N SER A 67 16.291 -4.842 -6.844 1.00 0.00 N ATOM 1094 CA SER A 67 16.873 -3.843 -5.963 1.00 0.00 C ATOM 1095 C SER A 67 16.961 -4.392 -4.537 1.00 0.00 C ATOM 1096 O SER A 67 17.693 -3.856 -3.707 1.00 0.00 O ATOM 1097 CB SER A 67 16.059 -2.548 -5.986 1.00 0.00 C ATOM 1098 OG SER A 67 16.760 -1.468 -5.375 1.00 0.00 O ATOM 0 H SER A 67 15.453 -4.537 -7.339 1.00 0.00 H new ATOM 0 HA SER A 67 17.877 -3.614 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.820 -2.288 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.112 -2.705 -5.469 1.00 0.00 H new ATOM 0 HG SER A 67 17.189 -1.781 -4.551 1.00 0.00 H new ATOM 1104 N LEU A 68 16.202 -5.451 -4.297 1.00 0.00 N ATOM 1105 CA LEU A 68 16.185 -6.077 -2.986 1.00 0.00 C ATOM 1106 C LEU A 68 17.561 -6.679 -2.695 1.00 0.00 C ATOM 1107 O LEU A 68 18.067 -6.569 -1.579 1.00 0.00 O ATOM 1108 CB LEU A 68 15.039 -7.087 -2.889 1.00 0.00 C ATOM 1109 CG LEU A 68 13.644 -6.551 -3.215 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.632 -7.692 -3.335 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.205 -5.502 -2.189 1.00 0.00 C ATOM 0 H LEU A 68 15.594 -5.891 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 68 15.991 -5.334 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.254 -7.917 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.023 -7.493 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 68 13.688 -6.055 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.649 -7.283 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.940 -8.370 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.585 -8.237 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.210 -5.137 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.183 -5.951 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.909 -4.670 -2.195 1.00 0.00 H new ATOM 1123 N GLN A 69 18.127 -7.302 -3.717 1.00 0.00 N ATOM 1124 CA GLN A 69 19.435 -7.922 -3.585 1.00 0.00 C ATOM 1125 C GLN A 69 20.334 -7.076 -2.681 1.00 0.00 C ATOM 1126 O GLN A 69 20.669 -7.487 -1.571 1.00 0.00 O ATOM 1127 CB GLN A 69 20.081 -8.137 -4.955 1.00 0.00 C ATOM 1128 CG GLN A 69 20.698 -9.532 -5.057 1.00 0.00 C ATOM 1129 CD GLN A 69 22.227 -9.459 -5.036 1.00 0.00 C ATOM 1130 OE1 GLN A 69 22.863 -9.524 -3.997 1.00 0.00 O ATOM 1131 NE2 GLN A 69 22.778 -9.323 -6.239 1.00 0.00 N ATOM 0 H GLN A 69 17.704 -7.391 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 69 19.307 -8.901 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.333 -8.008 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.850 -7.382 -5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 69 20.349 -10.149 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.366 -10.014 -5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 69 22.186 -9.275 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 69 23.792 -9.267 -6.332 1.00 0.00 H new ATOM 1140 N THR A 70 20.700 -5.908 -3.190 1.00 0.00 N ATOM 1141 CA THR A 70 21.554 -5.000 -2.443 1.00 0.00 C ATOM 1142 C THR A 70 20.781 -3.740 -2.053 1.00 0.00 C ATOM 1143 O THR A 70 21.335 -2.642 -2.053 1.00 0.00 O ATOM 1144 CB THR A 70 22.796 -4.714 -3.290 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.564 -3.821 -2.489 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.473 -3.904 -4.546 1.00 0.00 C ATOM 0 H THR A 70 20.420 -5.570 -4.111 1.00 0.00 H new ATOM 0 HA THR A 70 21.880 -5.447 -1.504 1.00 0.00 H new ATOM 0 HB THR A 70 23.265 -5.655 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 70 23.063 -2.989 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.388 -3.729 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.765 -4.457 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 70 22.035 -2.948 -4.260 1.00 0.00 H new ATOM 1154 N GLY A 71 19.511 -3.939 -1.731 1.00 0.00 N ATOM 1155 CA GLY A 71 18.655 -2.831 -1.341 1.00 0.00 C ATOM 1156 C GLY A 71 18.835 -2.497 0.141 1.00 0.00 C ATOM 1157 O GLY A 71 19.665 -3.098 0.821 1.00 0.00 O ATOM 0 H GLY A 71 19.054 -4.851 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.889 -1.955 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.613 -3.085 -1.537 1.00 0.00 H new ATOM 1161 N SER A 72 18.042 -1.538 0.598 1.00 0.00 N ATOM 1162 CA SER A 72 18.102 -1.116 1.987 1.00 0.00 C ATOM 1163 C SER A 72 16.954 -1.746 2.777 1.00 0.00 C ATOM 1164 O SER A 72 16.016 -2.285 2.191 1.00 0.00 O ATOM 1165 CB SER A 72 18.052 0.409 2.102 1.00 0.00 C ATOM 1166 OG SER A 72 16.725 0.910 1.968 1.00 0.00 O ATOM 0 H SER A 72 17.355 -1.042 0.031 1.00 0.00 H new ATOM 0 HA SER A 72 19.050 -1.454 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.459 0.714 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.686 0.852 1.334 1.00 0.00 H new ATOM 0 HG SER A 72 16.734 1.887 2.049 1.00 0.00 H new ATOM 1172 N GLU A 73 17.064 -1.658 4.094 1.00 0.00 N ATOM 1173 CA GLU A 73 16.046 -2.214 4.970 1.00 0.00 C ATOM 1174 C GLU A 73 14.676 -1.621 4.633 1.00 0.00 C ATOM 1175 O GLU A 73 13.680 -2.341 4.585 1.00 0.00 O ATOM 1176 CB GLU A 73 16.399 -1.977 6.440 1.00 0.00 C ATOM 1177 CG GLU A 73 17.420 -3.005 6.930 1.00 0.00 C ATOM 1178 CD GLU A 73 16.723 -4.246 7.493 1.00 0.00 C ATOM 1179 OE1 GLU A 73 16.124 -4.114 8.582 1.00 0.00 O ATOM 1180 OE2 GLU A 73 16.804 -5.296 6.821 1.00 0.00 O ATOM 0 H GLU A 73 17.843 -1.210 4.576 1.00 0.00 H new ATOM 0 HA GLU A 73 16.004 -3.291 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.802 -0.972 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.497 -2.036 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.075 -3.293 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.051 -2.558 7.698 1.00 0.00 H new ATOM 1187 N GLU A 74 14.670 -0.316 4.408 1.00 0.00 N ATOM 1188 CA GLU A 74 13.439 0.382 4.077 1.00 0.00 C ATOM 1189 C GLU A 74 12.939 -0.051 2.697 1.00 0.00 C ATOM 1190 O GLU A 74 11.750 -0.307 2.516 1.00 0.00 O ATOM 1191 CB GLU A 74 13.634 1.897 4.139 1.00 0.00 C ATOM 1192 CG GLU A 74 13.077 2.468 5.445 1.00 0.00 C ATOM 1193 CD GLU A 74 14.100 2.352 6.576 1.00 0.00 C ATOM 1194 OE1 GLU A 74 15.077 3.132 6.539 1.00 0.00 O ATOM 1195 OE2 GLU A 74 13.884 1.486 7.451 1.00 0.00 O ATOM 0 H GLU A 74 15.499 0.277 4.448 1.00 0.00 H new ATOM 0 HA GLU A 74 12.683 0.116 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.695 2.134 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.136 2.367 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.805 3.514 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.166 1.936 5.719 1.00 0.00 H new ATOM 1202 N LEU A 75 13.872 -0.119 1.759 1.00 0.00 N ATOM 1203 CA LEU A 75 13.541 -0.516 0.401 1.00 0.00 C ATOM 1204 C LEU A 75 12.876 -1.894 0.425 1.00 0.00 C ATOM 1205 O LEU A 75 11.878 -2.118 -0.257 1.00 0.00 O ATOM 1206 CB LEU A 75 14.780 -0.446 -0.494 1.00 0.00 C ATOM 1207 CG LEU A 75 14.523 -0.530 -2.001 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.441 0.425 -2.767 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.651 -1.970 -2.499 1.00 0.00 C ATOM 0 H LEU A 75 14.858 0.094 1.913 1.00 0.00 H new ATOM 0 HA LEU A 75 12.822 0.178 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.302 0.488 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.453 -1.257 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 75 13.497 -0.213 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.238 0.346 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.258 1.448 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.481 0.162 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.464 -2.002 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.657 -2.337 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.924 -2.599 -1.985 1.00 0.00 H new ATOM 1221 N ARG A 76 13.458 -2.783 1.218 1.00 0.00 N ATOM 1222 CA ARG A 76 12.934 -4.132 1.339 1.00 0.00 C ATOM 1223 C ARG A 76 11.505 -4.101 1.883 1.00 0.00 C ATOM 1224 O ARG A 76 10.602 -4.698 1.301 1.00 0.00 O ATOM 1225 CB ARG A 76 13.808 -4.980 2.268 1.00 0.00 C ATOM 1226 CG ARG A 76 14.777 -5.851 1.465 1.00 0.00 C ATOM 1227 CD ARG A 76 15.868 -6.430 2.366 1.00 0.00 C ATOM 1228 NE ARG A 76 15.284 -7.419 3.299 1.00 0.00 N ATOM 1229 CZ ARG A 76 14.842 -8.629 2.932 1.00 0.00 C ATOM 1230 NH1 ARG A 76 14.916 -9.008 1.648 1.00 0.00 N ATOM 1231 NH2 ARG A 76 14.326 -9.461 3.847 1.00 0.00 N ATOM 0 H ARG A 76 14.287 -2.595 1.782 1.00 0.00 H new ATOM 0 HA ARG A 76 12.937 -4.579 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.369 -4.330 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.176 -5.612 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.230 -6.661 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.232 -5.258 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.640 -6.903 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.350 -5.629 2.927 1.00 0.00 H new ATOM 0 HE ARG A 76 15.214 -7.163 4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.309 -8.375 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.580 -9.929 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.270 -9.173 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.990 -10.382 3.567 1.00 0.00 H new ATOM 1245 N SER A 77 11.345 -3.397 2.994 1.00 0.00 N ATOM 1246 CA SER A 77 10.040 -3.279 3.624 1.00 0.00 C ATOM 1247 C SER A 77 9.021 -2.739 2.619 1.00 0.00 C ATOM 1248 O SER A 77 7.849 -3.112 2.656 1.00 0.00 O ATOM 1249 CB SER A 77 10.102 -2.373 4.855 1.00 0.00 C ATOM 1250 OG SER A 77 8.818 -1.869 5.212 1.00 0.00 O ATOM 0 H SER A 77 12.097 -2.903 3.474 1.00 0.00 H new ATOM 0 HA SER A 77 9.728 -4.271 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.519 -2.930 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.777 -1.540 4.658 1.00 0.00 H new ATOM 0 HG SER A 77 8.779 -0.908 5.021 1.00 0.00 H new ATOM 1256 N LEU A 78 9.503 -1.870 1.743 1.00 0.00 N ATOM 1257 CA LEU A 78 8.649 -1.276 0.729 1.00 0.00 C ATOM 1258 C LEU A 78 8.196 -2.360 -0.250 1.00 0.00 C ATOM 1259 O LEU A 78 7.014 -2.449 -0.579 1.00 0.00 O ATOM 1260 CB LEU A 78 9.356 -0.098 0.056 1.00 0.00 C ATOM 1261 CG LEU A 78 8.480 1.114 -0.269 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.098 0.675 -0.757 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.390 2.063 0.929 1.00 0.00 C ATOM 0 H LEU A 78 10.475 -1.563 1.715 1.00 0.00 H new ATOM 0 HA LEU A 78 7.750 -0.861 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.169 0.230 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.809 -0.453 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 78 8.949 1.667 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.495 1.555 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.205 0.070 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.608 0.087 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.762 2.916 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.956 1.536 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.388 2.414 1.191 1.00 0.00 H new ATOM 1275 N TYR A 79 9.159 -3.159 -0.686 1.00 0.00 N ATOM 1276 CA TYR A 79 8.873 -4.234 -1.621 1.00 0.00 C ATOM 1277 C TYR A 79 7.811 -5.181 -1.059 1.00 0.00 C ATOM 1278 O TYR A 79 6.901 -5.595 -1.776 1.00 0.00 O ATOM 1279 CB TYR A 79 10.184 -5.003 -1.793 1.00 0.00 C ATOM 1280 CG TYR A 79 9.998 -6.475 -2.163 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.858 -6.843 -3.486 1.00 0.00 C ATOM 1282 CD2 TYR A 79 9.972 -7.437 -1.174 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.683 -8.229 -3.834 1.00 0.00 C ATOM 1284 CE2 TYR A 79 9.797 -8.823 -1.521 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.662 -9.151 -2.835 1.00 0.00 C ATOM 1286 OH TYR A 79 9.496 -10.461 -3.164 1.00 0.00 O ATOM 0 H TYR A 79 10.138 -3.083 -0.409 1.00 0.00 H new ATOM 0 HA TYR A 79 8.496 -3.834 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.779 -4.517 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.754 -4.941 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.880 -6.091 -4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.083 -7.150 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.571 -8.530 -4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.773 -9.585 -0.756 1.00 0.00 H new ATOM 0 HH TYR A 79 9.952 -11.024 -2.504 1.00 0.00 H new ATOM 1296 N ASN A 80 7.961 -5.496 0.219 1.00 0.00 N ATOM 1297 CA ASN A 80 7.026 -6.386 0.886 1.00 0.00 C ATOM 1298 C ASN A 80 5.641 -5.737 0.912 1.00 0.00 C ATOM 1299 O ASN A 80 4.637 -6.397 0.646 1.00 0.00 O ATOM 1300 CB ASN A 80 7.452 -6.650 2.331 1.00 0.00 C ATOM 1301 CG ASN A 80 8.272 -7.937 2.434 1.00 0.00 C ATOM 1302 OD1 ASN A 80 7.779 -8.990 2.804 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.549 -7.794 2.090 1.00 0.00 N ATOM 0 H ASN A 80 8.717 -5.151 0.811 1.00 0.00 H new ATOM 0 HA ASN A 80 7.008 -7.328 0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.040 -5.810 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.569 -6.725 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.180 -8.595 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.897 -6.884 1.789 1.00 0.00 H new ATOM 1310 N THR A 81 5.631 -4.452 1.236 1.00 0.00 N ATOM 1311 CA THR A 81 4.385 -3.707 1.299 1.00 0.00 C ATOM 1312 C THR A 81 3.694 -3.703 -0.066 1.00 0.00 C ATOM 1313 O THR A 81 2.494 -3.951 -0.159 1.00 0.00 O ATOM 1314 CB THR A 81 4.700 -2.304 1.825 1.00 0.00 C ATOM 1315 OG1 THR A 81 4.802 -2.478 3.236 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.527 -1.337 1.653 1.00 0.00 C ATOM 0 H THR A 81 6.465 -3.908 1.457 1.00 0.00 H new ATOM 0 HA THR A 81 3.678 -4.177 1.983 1.00 0.00 H new ATOM 0 HB THR A 81 5.574 -1.910 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.724 -2.715 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.803 -0.357 2.042 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.279 -1.251 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.662 -1.713 2.199 1.00 0.00 H new ATOM 1324 N ILE A 82 4.484 -3.418 -1.091 1.00 0.00 N ATOM 1325 CA ILE A 82 3.964 -3.378 -2.447 1.00 0.00 C ATOM 1326 C ILE A 82 3.390 -4.749 -2.809 1.00 0.00 C ATOM 1327 O ILE A 82 2.333 -4.839 -3.431 1.00 0.00 O ATOM 1328 CB ILE A 82 5.037 -2.885 -3.419 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.474 -1.458 -3.075 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.562 -3.006 -4.868 1.00 0.00 C ATOM 1331 CD1 ILE A 82 6.798 -1.111 -3.760 1.00 0.00 C ATOM 0 H ILE A 82 5.480 -3.213 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 82 3.147 -2.660 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 82 5.913 -3.524 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.703 -0.753 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.581 -1.357 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.344 -2.649 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.341 -4.049 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.663 -2.406 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.086 -0.093 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.572 -1.803 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.680 -1.190 -4.841 1.00 0.00 H new ATOM 1343 N ALA A 83 4.113 -5.783 -2.404 1.00 0.00 N ATOM 1344 CA ALA A 83 3.690 -7.146 -2.677 1.00 0.00 C ATOM 1345 C ALA A 83 2.290 -7.366 -2.099 1.00 0.00 C ATOM 1346 O ALA A 83 1.404 -7.870 -2.786 1.00 0.00 O ATOM 1347 CB ALA A 83 4.717 -8.124 -2.106 1.00 0.00 C ATOM 0 H ALA A 83 4.990 -5.704 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 83 3.635 -7.323 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.399 -9.146 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.687 -7.945 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.798 -7.979 -1.029 1.00 0.00 H new ATOM 1353 N VAL A 84 2.136 -6.977 -0.842 1.00 0.00 N ATOM 1354 CA VAL A 84 0.859 -7.126 -0.164 1.00 0.00 C ATOM 1355 C VAL A 84 -0.196 -6.285 -0.884 1.00 0.00 C ATOM 1356 O VAL A 84 -1.333 -6.722 -1.055 1.00 0.00 O ATOM 1357 CB VAL A 84 1.007 -6.763 1.314 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.346 -6.398 1.927 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.674 -7.898 2.094 1.00 0.00 C ATOM 0 H VAL A 84 2.874 -6.559 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 84 0.526 -8.163 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 84 1.652 -5.887 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.212 -6.144 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.766 -5.543 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.025 -7.247 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.767 -7.614 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.067 -8.800 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.664 -8.090 1.681 1.00 0.00 H new ATOM 1369 N LEU A 85 0.216 -5.091 -1.286 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.680 -4.186 -1.983 1.00 0.00 C ATOM 1371 C LEU A 85 -1.188 -4.858 -3.260 1.00 0.00 C ATOM 1372 O LEU A 85 -2.375 -4.788 -3.572 1.00 0.00 O ATOM 1373 CB LEU A 85 0.005 -2.839 -2.229 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.925 -1.654 -2.498 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.782 -1.900 -3.741 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -1.777 -1.335 -1.269 1.00 0.00 C ATOM 0 H LEU A 85 1.159 -4.730 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.553 -3.968 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.621 -2.603 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.680 -2.946 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.310 -0.777 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.434 -1.043 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.135 -2.040 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.389 -2.793 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.429 -0.489 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.384 -2.203 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.127 -1.085 -0.431 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.263 -5.495 -3.963 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.602 -6.182 -5.198 1.00 0.00 C ATOM 1390 C TYR A 86 -1.605 -7.308 -4.942 1.00 0.00 C ATOM 1391 O TYR A 86 -2.579 -7.457 -5.679 1.00 0.00 O ATOM 1392 CB TYR A 86 0.704 -6.785 -5.718 1.00 0.00 C ATOM 1393 CG TYR A 86 0.521 -7.744 -6.896 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.380 -7.246 -8.175 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.496 -9.107 -6.678 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.209 -8.149 -9.284 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.324 -10.010 -7.787 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.188 -9.486 -9.036 1.00 0.00 C ATOM 1399 OH TYR A 86 0.025 -10.339 -10.081 1.00 0.00 O ATOM 0 H TYR A 86 0.721 -5.550 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.055 -5.491 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.370 -5.977 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.197 -7.316 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.398 -6.180 -8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.605 -9.496 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.100 -7.773 -10.290 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.303 -11.078 -7.631 1.00 0.00 H new ATOM 0 HH TYR A 86 0.031 -11.263 -9.753 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.332 -8.074 -3.896 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.198 -9.183 -3.534 1.00 0.00 C ATOM 1411 C CYS A 87 -3.610 -8.637 -3.312 1.00 0.00 C ATOM 1412 O CYS A 87 -4.590 -9.255 -3.724 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.675 -9.931 -2.306 1.00 0.00 C ATOM 1414 SG CYS A 87 0.098 -10.332 -2.524 1.00 0.00 S ATOM 0 H CYS A 87 -0.523 -7.948 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.215 -9.914 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.811 -9.321 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.248 -10.846 -2.157 1.00 0.00 H new ATOM 0 HG CYS A 87 0.808 -9.252 -2.381 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.669 -7.486 -2.660 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.945 -6.849 -2.378 1.00 0.00 C ATOM 1422 C VAL A 88 -5.594 -6.415 -3.693 1.00 0.00 C ATOM 1423 O VAL A 88 -6.813 -6.494 -3.843 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.746 -5.692 -1.397 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -6.088 -5.200 -0.852 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -3.806 -6.092 -0.258 1.00 0.00 C ATOM 0 H VAL A 88 -2.854 -6.977 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.626 -7.551 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.281 -4.869 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.919 -4.377 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.712 -4.856 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.591 -6.016 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.682 -5.251 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.229 -6.939 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.836 -6.372 -0.668 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.752 -5.966 -4.612 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.230 -5.519 -5.910 1.00 0.00 C ATOM 1438 C HIS A 89 -5.901 -6.685 -6.638 1.00 0.00 C ATOM 1439 O HIS A 89 -6.922 -6.503 -7.299 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.095 -4.888 -6.719 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.900 -3.413 -6.458 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.953 -2.553 -6.202 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.766 -2.658 -6.415 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.463 -1.336 -6.016 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -3.107 -1.403 -6.149 1.00 0.00 N ATOM 0 H HIS A 89 -3.742 -5.902 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.980 -4.739 -5.777 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.167 -5.412 -6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.294 -5.035 -7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.760 -3.020 -6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.036 -0.447 -5.798 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.462 -0.618 -6.059 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.300 -7.856 -6.495 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.827 -9.052 -7.132 1.00 0.00 C ATOM 1456 C GLN A 90 -6.873 -9.714 -6.233 1.00 0.00 C ATOM 1457 O GLN A 90 -7.507 -10.691 -6.630 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.702 -10.030 -7.477 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.328 -9.934 -8.958 1.00 0.00 C ATOM 1460 CD GLN A 90 -3.588 -11.191 -9.419 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -2.981 -11.906 -8.639 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -3.673 -11.420 -10.725 1.00 0.00 N ATOM 0 H GLN A 90 -4.452 -8.003 -5.947 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.310 -8.761 -8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.828 -9.816 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.015 -11.047 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.229 -9.798 -9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.701 -9.058 -9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.198 -10.781 -11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.214 -12.235 -11.131 1.00 0.00 H new ATOM 1471 N ARG A 91 -7.021 -9.156 -5.041 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.981 -9.680 -4.083 1.00 0.00 C ATOM 1473 C ARG A 91 -7.520 -11.044 -3.564 1.00 0.00 C ATOM 1474 O ARG A 91 -8.249 -12.029 -3.663 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.366 -9.825 -4.715 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.466 -9.501 -3.702 1.00 0.00 C ATOM 1477 CD ARG A 91 -11.832 -9.975 -4.205 1.00 0.00 C ATOM 1478 NE ARG A 91 -12.678 -8.809 -4.544 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.630 -8.161 -5.716 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -11.774 -8.560 -6.667 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -13.436 -7.114 -5.936 1.00 0.00 N ATOM 0 H ARG A 91 -6.493 -8.346 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.044 -8.974 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.450 -9.159 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.496 -10.842 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.240 -9.979 -2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.494 -8.426 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.706 -10.610 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.321 -10.580 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.339 -8.478 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.160 -9.357 -6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.737 -8.067 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.086 -6.810 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.399 -6.621 -6.828 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.311 -11.057 -3.021 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.744 -12.283 -2.485 1.00 0.00 C ATOM 1497 C ILE A 92 -5.679 -12.186 -0.960 1.00 0.00 C ATOM 1498 O ILE A 92 -5.146 -11.219 -0.418 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.394 -12.580 -3.141 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.581 -13.119 -4.561 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.560 -13.526 -2.275 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -3.769 -12.302 -5.569 1.00 0.00 C ATOM 0 H ILE A 92 -5.708 -10.238 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.382 -13.134 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.841 -11.644 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.272 -14.164 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.637 -13.089 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.606 -13.721 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.382 -13.067 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.097 -14.465 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.920 -12.706 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.097 -11.263 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.711 -12.355 -5.312 1.00 0.00 H new ATOM 1514 N ASP A 93 -6.230 -13.201 -0.310 1.00 0.00 N ATOM 1515 CA ASP A 93 -6.240 -13.242 1.142 1.00 0.00 C ATOM 1516 C ASP A 93 -4.800 -13.251 1.659 1.00 0.00 C ATOM 1517 O ASP A 93 -3.966 -14.013 1.171 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.933 -14.507 1.653 1.00 0.00 C ATOM 1519 CG ASP A 93 -6.486 -15.806 0.979 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -6.888 -16.008 -0.187 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -5.752 -16.567 1.645 1.00 0.00 O ATOM 0 H ASP A 93 -6.673 -14.001 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.780 -12.365 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.756 -14.592 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.008 -14.395 1.515 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.552 -12.396 2.640 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.227 -12.296 3.228 1.00 0.00 C ATOM 1528 C VAL A 94 -3.347 -12.320 4.753 1.00 0.00 C ATOM 1529 O VAL A 94 -4.404 -12.011 5.301 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.514 -11.048 2.704 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.714 -11.364 1.439 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.510 -9.913 2.455 1.00 0.00 C ATOM 0 H VAL A 94 -5.246 -11.766 3.043 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.615 -13.150 2.937 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.812 -10.716 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.217 -10.460 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.967 -12.125 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.387 -11.732 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.978 -9.037 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.247 -10.231 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.016 -9.661 3.387 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.249 -12.690 5.396 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.218 -12.758 6.847 1.00 0.00 C ATOM 1544 C LYS A 95 -0.984 -12.014 7.362 1.00 0.00 C ATOM 1545 O LYS A 95 -1.077 -11.227 8.303 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.301 -14.212 7.317 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.649 -14.497 7.982 1.00 0.00 C ATOM 1548 CD LYS A 95 -4.169 -15.883 7.593 1.00 0.00 C ATOM 1549 CE LYS A 95 -5.504 -16.179 8.281 1.00 0.00 C ATOM 1550 NZ LYS A 95 -6.580 -15.340 7.707 1.00 0.00 N ATOM 0 H LYS A 95 -1.374 -12.946 4.938 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.090 -12.260 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.162 -14.881 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.494 -14.417 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.545 -14.434 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.372 -13.737 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.293 -15.939 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.437 -16.641 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.755 -17.233 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.418 -15.989 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.500 -15.657 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.425 -14.347 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.572 -15.426 6.671 1.00 0.00 H new ATOM 1564 N ASP A 96 0.143 -12.290 6.723 1.00 0.00 N ATOM 1565 CA ASP A 96 1.394 -11.658 7.104 1.00 0.00 C ATOM 1566 C ASP A 96 2.188 -11.305 5.845 1.00 0.00 C ATOM 1567 O ASP A 96 1.936 -11.855 4.775 1.00 0.00 O ATOM 1568 CB ASP A 96 2.250 -12.597 7.956 1.00 0.00 C ATOM 1569 CG ASP A 96 2.212 -14.067 7.532 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.109 -14.651 7.603 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.288 -14.574 7.146 1.00 0.00 O ATOM 0 H ASP A 96 0.216 -12.943 5.943 1.00 0.00 H new ATOM 0 HA ASP A 96 1.157 -10.764 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.283 -12.252 7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.921 -12.524 8.993 1.00 0.00 H new ATOM 1576 N THR A 97 3.131 -10.390 6.015 1.00 0.00 N ATOM 1577 CA THR A 97 3.963 -9.959 4.905 1.00 0.00 C ATOM 1578 C THR A 97 4.739 -11.144 4.328 1.00 0.00 C ATOM 1579 O THR A 97 4.804 -11.315 3.112 1.00 0.00 O ATOM 1580 CB THR A 97 4.864 -8.826 5.402 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.462 -8.312 4.216 1.00 0.00 O ATOM 1582 CG2 THR A 97 6.049 -9.339 6.224 1.00 0.00 C ATOM 0 H THR A 97 3.337 -9.935 6.905 1.00 0.00 H new ATOM 0 HA THR A 97 3.358 -9.576 4.083 1.00 0.00 H new ATOM 0 HB THR A 97 4.277 -8.133 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.284 -8.809 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.656 -8.496 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.680 -9.881 7.095 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.655 -10.006 5.611 1.00 0.00 H new ATOM 1590 N LYS A 98 5.309 -11.932 5.228 1.00 0.00 N ATOM 1591 CA LYS A 98 6.078 -13.096 4.823 1.00 0.00 C ATOM 1592 C LYS A 98 5.171 -14.061 4.058 1.00 0.00 C ATOM 1593 O LYS A 98 5.584 -14.648 3.059 1.00 0.00 O ATOM 1594 CB LYS A 98 6.768 -13.730 6.033 1.00 0.00 C ATOM 1595 CG LYS A 98 8.276 -13.851 5.804 1.00 0.00 C ATOM 1596 CD LYS A 98 8.800 -15.199 6.304 1.00 0.00 C ATOM 1597 CE LYS A 98 10.165 -15.042 6.976 1.00 0.00 C ATOM 1598 NZ LYS A 98 10.712 -16.363 7.356 1.00 0.00 N ATOM 0 H LYS A 98 5.254 -11.787 6.236 1.00 0.00 H new ATOM 0 HA LYS A 98 6.879 -12.805 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.579 -13.127 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.345 -14.717 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.496 -13.743 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.792 -13.042 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.090 -15.630 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.880 -15.895 5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.854 -14.538 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.071 -14.413 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.639 -16.237 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.061 -16.830 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.821 -16.951 6.505 1.00 0.00 H new ATOM 1612 N GLU A 99 3.951 -14.197 4.557 1.00 0.00 N ATOM 1613 CA GLU A 99 2.981 -15.081 3.933 1.00 0.00 C ATOM 1614 C GLU A 99 2.631 -14.580 2.530 1.00 0.00 C ATOM 1615 O GLU A 99 2.399 -15.376 1.622 1.00 0.00 O ATOM 1616 CB GLU A 99 1.725 -15.213 4.796 1.00 0.00 C ATOM 1617 CG GLU A 99 0.663 -16.062 4.093 1.00 0.00 C ATOM 1618 CD GLU A 99 -0.611 -15.251 3.845 1.00 0.00 C ATOM 1619 OE1 GLU A 99 -0.528 -14.293 3.048 1.00 0.00 O ATOM 1620 OE2 GLU A 99 -1.640 -15.610 4.459 1.00 0.00 O ATOM 0 H GLU A 99 3.612 -13.710 5.386 1.00 0.00 H new ATOM 0 HA GLU A 99 3.427 -16.072 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.983 -15.666 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.321 -14.224 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.055 -16.429 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.430 -16.936 4.701 1.00 0.00 H new ATOM 1627 N ALA A 100 2.608 -13.262 2.396 1.00 0.00 N ATOM 1628 CA ALA A 100 2.292 -12.645 1.119 1.00 0.00 C ATOM 1629 C ALA A 100 3.454 -12.866 0.150 1.00 0.00 C ATOM 1630 O ALA A 100 3.242 -13.036 -1.050 1.00 0.00 O ATOM 1631 CB ALA A 100 1.981 -11.161 1.331 1.00 0.00 C ATOM 0 H ALA A 100 2.803 -12.604 3.151 1.00 0.00 H new ATOM 0 HA ALA A 100 1.406 -13.103 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.744 -10.698 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.129 -11.060 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.848 -10.666 1.768 1.00 0.00 H new ATOM 1637 N LEU A 101 4.656 -12.854 0.705 1.00 0.00 N ATOM 1638 CA LEU A 101 5.853 -13.051 -0.097 1.00 0.00 C ATOM 1639 C LEU A 101 5.896 -14.496 -0.596 1.00 0.00 C ATOM 1640 O LEU A 101 6.113 -14.741 -1.780 1.00 0.00 O ATOM 1641 CB LEU A 101 7.098 -12.634 0.690 1.00 0.00 C ATOM 1642 CG LEU A 101 7.404 -11.135 0.715 1.00 0.00 C ATOM 1643 CD1 LEU A 101 8.786 -10.868 1.317 1.00 0.00 C ATOM 1644 CD2 LEU A 101 7.257 -10.521 -0.678 1.00 0.00 C ATOM 0 H LEU A 101 4.828 -12.711 1.700 1.00 0.00 H new ATOM 0 HA LEU A 101 5.831 -12.411 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.986 -12.979 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.960 -13.154 0.271 1.00 0.00 H new ATOM 0 HG LEU A 101 6.672 -10.648 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.979 -9.795 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.818 -11.248 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.547 -11.370 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.480 -9.455 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.950 -11.007 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.236 -10.663 -1.032 1.00 0.00 H new ATOM 1656 N ASP A 102 5.685 -15.416 0.335 1.00 0.00 N ATOM 1657 CA ASP A 102 5.696 -16.830 0.004 1.00 0.00 C ATOM 1658 C ASP A 102 4.495 -17.152 -0.888 1.00 0.00 C ATOM 1659 O ASP A 102 4.576 -18.021 -1.754 1.00 0.00 O ATOM 1660 CB ASP A 102 5.592 -17.691 1.265 1.00 0.00 C ATOM 1661 CG ASP A 102 6.172 -19.102 1.134 1.00 0.00 C ATOM 1662 OD1 ASP A 102 7.074 -19.268 0.286 1.00 0.00 O ATOM 1663 OD2 ASP A 102 5.700 -19.980 1.888 1.00 0.00 O ATOM 0 H ASP A 102 5.506 -15.209 1.318 1.00 0.00 H new ATOM 0 HA ASP A 102 6.634 -17.049 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.103 -17.178 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.542 -17.771 1.547 1.00 0.00 H new ATOM 1668 N LYS A 103 3.410 -16.433 -0.646 1.00 0.00 N ATOM 1669 CA LYS A 103 2.194 -16.629 -1.416 1.00 0.00 C ATOM 1670 C LYS A 103 2.454 -16.254 -2.877 1.00 0.00 C ATOM 1671 O LYS A 103 2.123 -17.015 -3.785 1.00 0.00 O ATOM 1672 CB LYS A 103 1.028 -15.866 -0.784 1.00 0.00 C ATOM 1673 CG LYS A 103 -0.263 -16.084 -1.573 1.00 0.00 C ATOM 1674 CD LYS A 103 -1.209 -17.028 -0.827 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.304 -18.382 -1.535 1.00 0.00 C ATOM 1676 NZ LYS A 103 -1.704 -19.438 -0.580 1.00 0.00 N ATOM 0 H LYS A 103 3.347 -15.713 0.073 1.00 0.00 H new ATOM 0 HA LYS A 103 1.901 -17.679 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.889 -16.196 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.262 -14.802 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.757 -15.127 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.029 -16.498 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.855 -17.171 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.200 -16.578 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.029 -18.324 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.343 -18.633 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.764 -20.350 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.998 -19.503 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.632 -19.204 -0.172 1.00 0.00 H new ATOM 1690 N ILE A 104 3.046 -15.082 -3.056 1.00 0.00 N ATOM 1691 CA ILE A 104 3.354 -14.598 -4.391 1.00 0.00 C ATOM 1692 C ILE A 104 4.477 -15.446 -4.991 1.00 0.00 C ATOM 1693 O ILE A 104 4.495 -15.697 -6.195 1.00 0.00 O ATOM 1694 CB ILE A 104 3.667 -13.100 -4.358 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.076 -12.389 -5.577 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.172 -12.857 -4.227 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.008 -11.377 -5.157 1.00 0.00 C ATOM 0 H ILE A 104 3.320 -14.454 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 104 2.488 -14.707 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 104 3.193 -12.672 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.869 -11.880 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.640 -13.123 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.367 -11.785 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.535 -13.310 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.688 -13.303 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.604 -10.886 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.205 -11.893 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.453 -10.631 -4.499 1.00 0.00 H new ATOM 1709 N GLU A 105 5.387 -15.865 -4.123 1.00 0.00 N ATOM 1710 CA GLU A 105 6.510 -16.682 -4.552 1.00 0.00 C ATOM 1711 C GLU A 105 6.016 -18.029 -5.082 1.00 0.00 C ATOM 1712 O GLU A 105 6.532 -18.537 -6.077 1.00 0.00 O ATOM 1713 CB GLU A 105 7.513 -16.875 -3.413 1.00 0.00 C ATOM 1714 CG GLU A 105 8.734 -15.973 -3.600 1.00 0.00 C ATOM 1715 CD GLU A 105 8.429 -14.539 -3.161 1.00 0.00 C ATOM 1716 OE1 GLU A 105 7.771 -13.831 -3.954 1.00 0.00 O ATOM 1717 OE2 GLU A 105 8.859 -14.184 -2.042 1.00 0.00 O ATOM 0 H GLU A 105 5.369 -15.654 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 105 7.024 -16.163 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.034 -16.652 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.829 -17.918 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.571 -16.364 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.039 -15.980 -4.647 1.00 0.00 H new