USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 515 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 67 ASN : amide:sc= -0.605! C(o=-0.28!,f=-2.5!) USER MOD Set 1.2: A 71 CYS SG : rot 102:sc= 0.326 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -142:sc= 0.067 (180deg=0) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.0632 X(o=0.13,f=0) USER MOD Set 4.1: A 26 CYS SG : rot 91:sc= 0.966 USER MOD Set 4.2: A 28 CYS SG : rot 113:sc= 2.44 USER MOD Set 4.3: A 53 CYS SG : rot 135:sc= -1.1 USER MOD Set 4.4: A 58 CYS SG : rot 103:sc= -0.369 USER MOD Set 5.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0.0209 USER MOD Set 6.1: A 8 CYS SG : rot -137:sc= 0.194 USER MOD Set 6.2: A 11 CYS SG : rot 87:sc= 0.564 USER MOD Set 6.3: A 15 TYR OH : rot 36:sc= 1.38 USER MOD Set 6.4: A 31 CYS SG : rot -70:sc= -1.62 USER MOD Set 6.5: A 34 CYS SG : rot 89:sc= -1.01 USER MOD Single : A 7 SER OG : rot 17:sc= 0.798 USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 0.139 (180deg=0.054) USER MOD Single : A 19 GLN : amide:sc= -2.58 K(o=-2.6,f=-4.4!) USER MOD Single : A 20 MET CE :methyl 151:sc= -0.12 (180deg=-0.618) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.94 K(o=-1.9,f=-11!) USER MOD Single : A 27 GLN : amide:sc= -3.77! C(o=-3.8!,f=-5.5!) USER MOD Single : A 38 TYR OH : rot -99:sc= -2.46! USER MOD Single : A 44 LYS NZ :NH3+ -126:sc=-0.00992 (180deg=-1.14) USER MOD Single : A 49 THR OG1 : rot -110:sc= -1.01 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0909 K(o=-0.091,f=-2.1!) USER MOD Single : A 65 GLN :FLIP amide:sc= -10! C(o=-16!,f=-10!) USER MOD Single : A 72 MET CE :methyl -148:sc= -1.96 (180deg=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.632 -5.327 0.969 1.00 0.00 N ATOM 92 CA SER A 7 -14.592 -3.876 0.823 1.00 0.00 C ATOM 93 C SER A 7 -13.269 -3.428 0.209 1.00 0.00 C ATOM 94 O SER A 7 -13.246 -2.668 -0.758 1.00 0.00 O ATOM 95 CB SER A 7 -14.793 -3.200 2.180 1.00 0.00 C ATOM 96 OG SER A 7 -15.326 -4.108 3.128 1.00 0.00 O ATOM 0 HA SER A 7 -15.401 -3.580 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.841 -2.810 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.465 -2.349 2.070 1.00 0.00 H new ATOM 0 HG SER A 7 -15.201 -5.026 2.808 1.00 0.00 H new ATOM 102 N CYS A 8 -12.168 -3.906 0.780 1.00 0.00 N ATOM 103 CA CYS A 8 -10.840 -3.555 0.292 1.00 0.00 C ATOM 104 C CYS A 8 -10.623 -4.083 -1.123 1.00 0.00 C ATOM 105 O CYS A 8 -11.219 -5.084 -1.523 1.00 0.00 O ATOM 106 CB CYS A 8 -9.766 -4.116 1.227 1.00 0.00 C ATOM 107 SG CYS A 8 -8.111 -3.396 0.975 1.00 0.00 S ATOM 0 H CYS A 8 -12.170 -4.537 1.581 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.764 -2.468 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.072 -3.944 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.706 -5.195 1.088 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.217 -4.339 1.012 1.00 0.00 H new ATOM 112 N LYS A 9 -9.766 -3.404 -1.878 1.00 0.00 N ATOM 113 CA LYS A 9 -9.469 -3.804 -3.248 1.00 0.00 C ATOM 114 C LYS A 9 -7.971 -3.722 -3.526 1.00 0.00 C ATOM 115 O LYS A 9 -7.535 -3.832 -4.672 1.00 0.00 O ATOM 116 CB LYS A 9 -10.230 -2.917 -4.237 1.00 0.00 C ATOM 117 CG LYS A 9 -11.660 -2.623 -3.814 1.00 0.00 C ATOM 118 CD LYS A 9 -12.318 -1.613 -4.739 1.00 0.00 C ATOM 119 CE LYS A 9 -13.102 -0.569 -3.957 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.347 -1.136 -3.371 1.00 0.00 N ATOM 0 H LYS A 9 -9.265 -2.573 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.789 -4.838 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.694 -1.975 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.241 -3.402 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.238 -3.547 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.667 -2.242 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.556 -1.120 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.986 -2.130 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.476 -0.166 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.356 0.263 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.001 -0.364 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.797 -1.771 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.113 -1.670 -2.510 1.00 0.00 H new ATOM 134 N LEU A 10 -7.189 -3.531 -2.470 1.00 0.00 N ATOM 135 CA LEU A 10 -5.739 -3.437 -2.600 1.00 0.00 C ATOM 136 C LEU A 10 -5.087 -4.805 -2.433 1.00 0.00 C ATOM 137 O LEU A 10 -4.019 -5.068 -2.986 1.00 0.00 O ATOM 138 CB LEU A 10 -5.177 -2.461 -1.565 1.00 0.00 C ATOM 139 CG LEU A 10 -5.343 -0.975 -1.882 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.267 -0.145 -0.610 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.287 -0.522 -2.880 1.00 0.00 C ATOM 0 H LEU A 10 -7.534 -3.438 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.512 -3.067 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.656 -2.663 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.114 -2.668 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.326 -0.827 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.387 0.910 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.060 -0.451 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.299 -0.298 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.420 0.538 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.295 -0.685 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.389 -1.094 -3.802 1.00 0.00 H new ATOM 153 N CYS A 11 -5.738 -5.675 -1.667 1.00 0.00 N ATOM 154 CA CYS A 11 -5.224 -7.018 -1.428 1.00 0.00 C ATOM 155 C CYS A 11 -6.269 -8.072 -1.783 1.00 0.00 C ATOM 156 O CYS A 11 -6.039 -9.271 -1.617 1.00 0.00 O ATOM 157 CB CYS A 11 -4.805 -7.173 0.036 1.00 0.00 C ATOM 158 SG CYS A 11 -6.143 -6.852 1.230 1.00 0.00 S ATOM 0 H CYS A 11 -6.623 -5.473 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.353 -7.166 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.430 -8.185 0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.979 -6.492 0.240 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.818 -7.945 1.430 1.00 0.00 H new ATOM 163 N LEU A 12 -7.417 -7.617 -2.273 1.00 0.00 N ATOM 164 CA LEU A 12 -8.498 -8.520 -2.653 1.00 0.00 C ATOM 165 C LEU A 12 -8.898 -9.412 -1.483 1.00 0.00 C ATOM 166 O LEU A 12 -8.840 -10.638 -1.576 1.00 0.00 O ATOM 167 CB LEU A 12 -8.075 -9.381 -3.845 1.00 0.00 C ATOM 168 CG LEU A 12 -7.873 -8.642 -5.169 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.635 -9.630 -6.301 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.073 -7.758 -5.475 1.00 0.00 C ATOM 0 H LEU A 12 -7.623 -6.628 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.360 -7.916 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.145 -9.888 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.829 -10.154 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.992 -8.006 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.493 -9.086 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.745 -10.221 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.496 -10.292 -6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.912 -7.240 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.970 -8.374 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.199 -7.026 -4.677 1.00 0.00 H new ATOM 182 N GLY A 13 -9.308 -8.789 -0.382 1.00 0.00 N ATOM 183 CA GLY A 13 -9.714 -9.543 0.789 1.00 0.00 C ATOM 184 C GLY A 13 -11.129 -9.218 1.225 1.00 0.00 C ATOM 185 O GLY A 13 -12.089 -9.535 0.525 1.00 0.00 O ATOM 0 H GLY A 13 -9.366 -7.776 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.639 -10.609 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.027 -9.333 1.609 1.00 0.00 H new ATOM 189 N GLU A 14 -11.257 -8.585 2.388 1.00 0.00 N ATOM 190 CA GLU A 14 -12.566 -8.220 2.917 1.00 0.00 C ATOM 191 C GLU A 14 -12.426 -7.413 4.205 1.00 0.00 C ATOM 192 O GLU A 14 -12.590 -6.193 4.206 1.00 0.00 O ATOM 193 CB GLU A 14 -13.404 -9.473 3.176 1.00 0.00 C ATOM 194 CG GLU A 14 -12.580 -10.746 3.282 1.00 0.00 C ATOM 195 CD GLU A 14 -13.298 -11.845 4.039 1.00 0.00 C ATOM 196 OE1 GLU A 14 -14.523 -11.998 3.842 1.00 0.00 O ATOM 197 OE2 GLU A 14 -12.638 -12.551 4.829 1.00 0.00 O ATOM 0 H GLU A 14 -10.472 -8.315 2.980 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.070 -7.602 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.969 -9.338 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.131 -9.587 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.335 -11.100 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.637 -10.523 3.781 1.00 0.00 H new ATOM 204 N TYR A 15 -12.122 -8.104 5.298 1.00 0.00 N ATOM 205 CA TYR A 15 -11.964 -7.454 6.593 1.00 0.00 C ATOM 206 C TYR A 15 -13.234 -6.709 6.989 1.00 0.00 C ATOM 207 O TYR A 15 -14.005 -6.252 6.145 1.00 0.00 O ATOM 208 CB TYR A 15 -10.780 -6.484 6.559 1.00 0.00 C ATOM 209 CG TYR A 15 -9.574 -7.026 5.825 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.439 -6.856 4.453 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.572 -7.708 6.503 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.339 -7.350 3.777 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.469 -8.204 5.836 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.357 -8.022 4.473 1.00 0.00 C ATOM 215 OH TYR A 15 -6.259 -8.516 3.805 1.00 0.00 O ATOM 0 H TYR A 15 -11.980 -9.114 5.313 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.772 -8.227 7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.096 -5.555 6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.493 -6.239 7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.206 -6.329 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.657 -7.853 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.249 -7.210 2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.698 -8.731 6.378 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.013 -7.902 3.082 1.00 0.00 H new ATOM 225 N PRO A 16 -13.459 -6.581 8.305 1.00 0.00 N ATOM 226 CA PRO A 16 -14.634 -5.892 8.844 1.00 0.00 C ATOM 227 C PRO A 16 -14.582 -4.386 8.609 1.00 0.00 C ATOM 228 O PRO A 16 -13.787 -3.901 7.803 1.00 0.00 O ATOM 229 CB PRO A 16 -14.572 -6.202 10.342 1.00 0.00 C ATOM 230 CG PRO A 16 -13.130 -6.463 10.615 1.00 0.00 C ATOM 231 CD PRO A 16 -12.583 -7.102 9.369 1.00 0.00 C ATOM 0 HA PRO A 16 -15.555 -6.223 8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.942 -5.366 10.935 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.186 -7.067 10.593 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.602 -5.537 10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.008 -7.120 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.541 -6.829 9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.622 -8.190 9.425 1.00 0.00 H new ATOM 239 N VAL A 17 -15.434 -3.651 9.317 1.00 0.00 N ATOM 240 CA VAL A 17 -15.484 -2.200 9.185 1.00 0.00 C ATOM 241 C VAL A 17 -14.789 -1.518 10.359 1.00 0.00 C ATOM 242 O VAL A 17 -14.720 -0.292 10.424 1.00 0.00 O ATOM 243 CB VAL A 17 -16.935 -1.693 9.098 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.806 -2.693 8.351 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.491 -1.425 10.489 1.00 0.00 C ATOM 0 H VAL A 17 -16.099 -4.037 9.988 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.964 -1.948 8.261 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.941 -0.755 8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.828 -2.318 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.418 -2.830 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -17.796 -3.648 8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.517 -1.067 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.473 -2.346 11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.882 -0.669 10.985 1.00 0.00 H new ATOM 255 N GLU A 18 -14.277 -2.323 11.285 1.00 0.00 N ATOM 256 CA GLU A 18 -13.587 -1.796 12.457 1.00 0.00 C ATOM 257 C GLU A 18 -12.075 -1.906 12.294 1.00 0.00 C ATOM 258 O GLU A 18 -11.314 -1.271 13.024 1.00 0.00 O ATOM 259 CB GLU A 18 -14.030 -2.544 13.716 1.00 0.00 C ATOM 260 CG GLU A 18 -15.519 -2.431 13.999 1.00 0.00 C ATOM 261 CD GLU A 18 -16.113 -3.723 14.526 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.711 -4.470 13.724 1.00 0.00 O ATOM 263 OE2 GLU A 18 -15.981 -3.986 15.740 1.00 0.00 O ATOM 0 H GLU A 18 -14.327 -3.341 11.247 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.849 -0.743 12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.767 -3.597 13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.476 -2.158 14.572 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.688 -1.635 14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.038 -2.143 13.085 1.00 0.00 H new ATOM 270 N GLN A 19 -11.646 -2.715 11.331 1.00 0.00 N ATOM 271 CA GLN A 19 -10.224 -2.909 11.072 1.00 0.00 C ATOM 272 C GLN A 19 -9.758 -2.033 9.914 1.00 0.00 C ATOM 273 O GLN A 19 -8.567 -1.973 9.608 1.00 0.00 O ATOM 274 CB GLN A 19 -9.936 -4.379 10.763 1.00 0.00 C ATOM 275 CG GLN A 19 -9.554 -5.194 11.988 1.00 0.00 C ATOM 276 CD GLN A 19 -10.426 -6.421 12.168 1.00 0.00 C ATOM 277 OE1 GLN A 19 -11.442 -6.378 12.861 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.033 -7.524 11.541 1.00 0.00 N ATOM 0 H GLN A 19 -12.263 -3.247 10.717 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.674 -2.619 11.967 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.817 -4.824 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.129 -4.437 10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.512 -5.503 11.904 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.630 -4.566 12.876 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.183 -7.515 10.977 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.581 -8.380 11.624 1.00 0.00 H new ATOM 287 N MET A 20 -10.703 -1.354 9.273 1.00 0.00 N ATOM 288 CA MET A 20 -10.388 -0.480 8.149 1.00 0.00 C ATOM 289 C MET A 20 -10.216 0.962 8.614 1.00 0.00 C ATOM 290 O MET A 20 -10.470 1.288 9.773 1.00 0.00 O ATOM 291 CB MET A 20 -11.489 -0.559 7.089 1.00 0.00 C ATOM 292 CG MET A 20 -12.234 -1.885 7.085 1.00 0.00 C ATOM 293 SD MET A 20 -12.942 -2.277 5.474 1.00 0.00 S ATOM 294 CE MET A 20 -11.463 -2.648 4.534 1.00 0.00 C ATOM 0 H MET A 20 -11.694 -1.392 9.513 1.00 0.00 H new ATOM 0 HA MET A 20 -9.448 -0.817 7.711 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.202 0.249 7.256 1.00 0.00 H new ATOM 0 HB3 MET A 20 -11.048 -0.396 6.106 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.552 -2.682 7.382 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.030 -1.853 7.829 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.701 -3.365 3.749 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.078 -1.732 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.708 -3.072 5.196 1.00 0.00 H new ATOM 304 N THR A 21 -9.780 1.826 7.700 1.00 0.00 N ATOM 305 CA THR A 21 -9.572 3.233 8.017 1.00 0.00 C ATOM 306 C THR A 21 -10.024 4.128 6.869 1.00 0.00 C ATOM 307 O THR A 21 -9.607 3.946 5.724 1.00 0.00 O ATOM 308 CB THR A 21 -8.092 3.526 8.329 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.757 3.022 9.627 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.813 5.020 8.272 1.00 0.00 C ATOM 0 H THR A 21 -9.565 1.575 6.735 1.00 0.00 H new ATOM 0 HA THR A 21 -10.172 3.450 8.901 1.00 0.00 H new ATOM 0 HB THR A 21 -7.479 3.029 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.814 3.210 9.818 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.762 5.203 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.042 5.395 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.435 5.534 9.005 1.00 0.00 H new ATOM 318 N THR A 22 -10.879 5.096 7.180 1.00 0.00 N ATOM 319 CA THR A 22 -11.389 6.020 6.174 1.00 0.00 C ATOM 320 C THR A 22 -10.257 6.827 5.546 1.00 0.00 C ATOM 321 O THR A 22 -9.244 7.096 6.190 1.00 0.00 O ATOM 322 CB THR A 22 -12.424 6.989 6.773 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.508 6.251 7.351 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.958 7.936 5.710 1.00 0.00 C ATOM 0 H THR A 22 -11.234 5.261 8.122 1.00 0.00 H new ATOM 0 HA THR A 22 -11.872 5.416 5.406 1.00 0.00 H new ATOM 0 HB THR A 22 -11.932 7.578 7.547 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.162 6.874 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.688 8.611 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.135 8.516 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.435 7.361 4.916 1.00 0.00 H new ATOM 332 N ILE A 23 -10.440 7.211 4.288 1.00 0.00 N ATOM 333 CA ILE A 23 -9.435 7.989 3.574 1.00 0.00 C ATOM 334 C ILE A 23 -9.291 9.383 4.175 1.00 0.00 C ATOM 335 O ILE A 23 -8.431 9.619 5.024 1.00 0.00 O ATOM 336 CB ILE A 23 -9.781 8.121 2.079 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.671 6.760 1.387 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.867 9.137 1.411 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.295 6.139 1.490 1.00 0.00 C ATOM 0 H ILE A 23 -11.274 6.996 3.742 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.492 7.452 3.674 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.809 8.472 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.402 6.079 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.931 6.874 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.124 9.219 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.990 10.108 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.831 8.813 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.291 5.177 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.562 6.800 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.040 5.992 2.539 1.00 0.00 H new ATOM 351 N ALA A 24 -10.139 10.305 3.730 1.00 0.00 N ATOM 352 CA ALA A 24 -10.109 11.674 4.227 1.00 0.00 C ATOM 353 C ALA A 24 -10.848 12.617 3.283 1.00 0.00 C ATOM 354 O ALA A 24 -11.502 13.562 3.722 1.00 0.00 O ATOM 355 CB ALA A 24 -8.672 12.135 4.419 1.00 0.00 C ATOM 0 H ALA A 24 -10.855 10.128 3.026 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.617 11.695 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.665 13.160 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.174 11.485 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.145 12.091 3.466 1.00 0.00 H new ATOM 361 N GLN A 25 -10.737 12.354 1.985 1.00 0.00 N ATOM 362 CA GLN A 25 -11.394 13.180 0.980 1.00 0.00 C ATOM 363 C GLN A 25 -12.584 12.450 0.367 1.00 0.00 C ATOM 364 O GLN A 25 -13.715 12.937 0.412 1.00 0.00 O ATOM 365 CB GLN A 25 -10.401 13.571 -0.118 1.00 0.00 C ATOM 366 CG GLN A 25 -9.932 15.013 -0.028 1.00 0.00 C ATOM 367 CD GLN A 25 -9.161 15.298 1.245 1.00 0.00 C ATOM 368 OE1 GLN A 25 -9.125 14.475 2.160 1.00 0.00 O ATOM 369 NE2 GLN A 25 -8.538 16.470 1.311 1.00 0.00 N ATOM 0 H GLN A 25 -10.198 11.576 1.605 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.758 14.083 1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.535 12.912 -0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.865 13.409 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.302 15.240 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.796 15.676 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.594 17.122 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.003 16.717 2.144 1.00 0.00 H new ATOM 378 N CYS A 26 -12.325 11.279 -0.203 1.00 0.00 N ATOM 379 CA CYS A 26 -13.375 10.481 -0.825 1.00 0.00 C ATOM 380 C CYS A 26 -14.150 9.689 0.224 1.00 0.00 C ATOM 381 O CYS A 26 -15.345 9.442 0.071 1.00 0.00 O ATOM 382 CB CYS A 26 -12.774 9.526 -1.860 1.00 0.00 C ATOM 383 SG CYS A 26 -11.497 8.413 -1.191 1.00 0.00 S ATOM 0 H CYS A 26 -11.396 10.861 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.065 11.161 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.574 8.925 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.342 10.112 -2.671 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.052 7.308 -0.789 1.00 0.00 H new ATOM 388 N GLN A 27 -13.459 9.294 1.289 1.00 0.00 N ATOM 389 CA GLN A 27 -14.082 8.530 2.363 1.00 0.00 C ATOM 390 C GLN A 27 -14.219 7.061 1.977 1.00 0.00 C ATOM 391 O GLN A 27 -15.281 6.461 2.145 1.00 0.00 O ATOM 392 CB GLN A 27 -15.456 9.112 2.700 1.00 0.00 C ATOM 393 CG GLN A 27 -15.497 10.631 2.677 1.00 0.00 C ATOM 394 CD GLN A 27 -14.285 11.257 3.339 1.00 0.00 C ATOM 395 OE1 GLN A 27 -13.682 12.187 2.803 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.923 10.749 4.511 1.00 0.00 N ATOM 0 H GLN A 27 -12.468 9.490 1.431 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.441 8.597 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.188 8.727 1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.756 8.764 3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.560 10.973 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.400 10.974 3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.452 9.978 4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.116 11.130 5.004 1.00 0.00 H new ATOM 405 N CYS A 28 -13.138 6.487 1.460 1.00 0.00 N ATOM 406 CA CYS A 28 -13.136 5.088 1.050 1.00 0.00 C ATOM 407 C CYS A 28 -12.794 4.177 2.226 1.00 0.00 C ATOM 408 O CYS A 28 -12.609 4.641 3.351 1.00 0.00 O ATOM 409 CB CYS A 28 -12.136 4.870 -0.087 1.00 0.00 C ATOM 410 SG CYS A 28 -12.699 5.494 -1.703 1.00 0.00 S ATOM 0 H CYS A 28 -12.251 6.970 1.315 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.136 4.837 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.196 5.358 0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.928 3.804 -0.174 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.949 6.491 -2.068 1.00 0.00 H new ATOM 415 N ILE A 29 -12.712 2.879 1.955 1.00 0.00 N ATOM 416 CA ILE A 29 -12.390 1.903 2.989 1.00 0.00 C ATOM 417 C ILE A 29 -11.285 0.958 2.530 1.00 0.00 C ATOM 418 O ILE A 29 -11.381 0.343 1.467 1.00 0.00 O ATOM 419 CB ILE A 29 -13.627 1.074 3.385 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.611 0.779 4.886 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.675 -0.220 2.586 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.083 1.940 5.734 1.00 0.00 C ATOM 0 H ILE A 29 -12.864 2.479 1.029 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.046 2.466 3.857 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.522 1.653 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.243 -0.087 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.598 0.509 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.554 -0.795 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.728 0.011 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.777 -0.805 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.045 1.660 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.437 2.801 5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.107 2.196 5.463 1.00 0.00 H new ATOM 434 N PHE A 30 -10.236 0.845 3.338 1.00 0.00 N ATOM 435 CA PHE A 30 -9.112 -0.026 3.015 1.00 0.00 C ATOM 436 C PHE A 30 -8.410 -0.501 4.283 1.00 0.00 C ATOM 437 O PHE A 30 -8.178 0.279 5.208 1.00 0.00 O ATOM 438 CB PHE A 30 -8.117 0.705 2.111 1.00 0.00 C ATOM 439 CG PHE A 30 -8.703 1.131 0.795 1.00 0.00 C ATOM 440 CD1 PHE A 30 -9.105 2.441 0.593 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.853 0.222 -0.240 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.645 2.838 -0.615 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.392 0.613 -1.451 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.789 1.922 -1.638 1.00 0.00 C ATOM 0 H PHE A 30 -10.141 1.346 4.221 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.500 -0.898 2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.742 1.584 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.262 0.055 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.995 3.161 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.545 -0.804 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.954 3.863 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.503 -0.105 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.212 2.229 -2.583 1.00 0.00 H new ATOM 454 N CYS A 31 -8.075 -1.787 4.321 1.00 0.00 N ATOM 455 CA CYS A 31 -7.401 -2.368 5.475 1.00 0.00 C ATOM 456 C CYS A 31 -6.102 -1.626 5.777 1.00 0.00 C ATOM 457 O CYS A 31 -5.263 -1.437 4.896 1.00 0.00 O ATOM 458 CB CYS A 31 -7.109 -3.850 5.229 1.00 0.00 C ATOM 459 SG CYS A 31 -5.728 -4.155 4.080 1.00 0.00 S ATOM 0 H CYS A 31 -8.260 -2.446 3.565 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.062 -2.273 6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.887 -4.329 6.183 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.007 -4.326 4.835 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.082 -3.815 2.876 1.00 0.00 H new ATOM 464 N THR A 32 -5.942 -1.209 7.029 1.00 0.00 N ATOM 465 CA THR A 32 -4.746 -0.488 7.448 1.00 0.00 C ATOM 466 C THR A 32 -3.502 -1.042 6.762 1.00 0.00 C ATOM 467 O THR A 32 -2.739 -0.298 6.144 1.00 0.00 O ATOM 468 CB THR A 32 -4.552 -0.560 8.974 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.803 -0.340 9.637 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.538 0.472 9.440 1.00 0.00 C ATOM 0 H THR A 32 -6.626 -1.358 7.771 1.00 0.00 H new ATOM 0 HA THR A 32 -4.886 0.553 7.156 1.00 0.00 H new ATOM 0 HB THR A 32 -4.177 -1.553 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.672 -0.389 10.607 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.418 0.402 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.580 0.285 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.888 1.470 9.178 1.00 0.00 H new ATOM 478 N LEU A 33 -3.303 -2.350 6.875 1.00 0.00 N ATOM 479 CA LEU A 33 -2.151 -3.004 6.265 1.00 0.00 C ATOM 480 C LEU A 33 -1.921 -2.490 4.846 1.00 0.00 C ATOM 481 O LEU A 33 -0.783 -2.254 4.437 1.00 0.00 O ATOM 482 CB LEU A 33 -2.351 -4.520 6.243 1.00 0.00 C ATOM 483 CG LEU A 33 -2.153 -5.242 7.577 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.325 -6.167 7.863 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.845 -6.020 7.573 1.00 0.00 C ATOM 0 H LEU A 33 -3.925 -2.979 7.383 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.272 -2.769 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.360 -4.728 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.661 -4.947 5.515 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.106 -4.495 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.166 -6.672 8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.245 -5.585 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.405 -6.909 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.720 -6.527 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.863 -6.758 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.014 -5.333 7.416 1.00 0.00 H new ATOM 497 N CYS A 34 -3.007 -2.316 4.102 1.00 0.00 N ATOM 498 CA CYS A 34 -2.926 -1.829 2.731 1.00 0.00 C ATOM 499 C CYS A 34 -2.730 -0.315 2.702 1.00 0.00 C ATOM 500 O CYS A 34 -1.721 0.182 2.199 1.00 0.00 O ATOM 501 CB CYS A 34 -4.191 -2.205 1.957 1.00 0.00 C ATOM 502 SG CYS A 34 -4.180 -3.901 1.293 1.00 0.00 S ATOM 0 H CYS A 34 -3.955 -2.505 4.426 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.065 -2.299 2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.054 -2.089 2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.321 -1.504 1.132 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.671 -4.717 2.178 1.00 0.00 H new ATOM 507 N LEU A 35 -3.701 0.411 3.245 1.00 0.00 N ATOM 508 CA LEU A 35 -3.636 1.868 3.283 1.00 0.00 C ATOM 509 C LEU A 35 -2.381 2.339 4.010 1.00 0.00 C ATOM 510 O LEU A 35 -2.026 3.517 3.961 1.00 0.00 O ATOM 511 CB LEU A 35 -4.879 2.436 3.968 1.00 0.00 C ATOM 512 CG LEU A 35 -5.361 3.798 3.465 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.671 3.738 1.977 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.583 4.254 4.248 1.00 0.00 C ATOM 0 H LEU A 35 -4.542 0.015 3.665 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.596 2.232 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.692 1.720 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.676 2.517 5.036 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.563 4.524 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.012 4.716 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.772 3.457 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.451 2.998 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.912 5.225 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.386 3.527 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.328 4.337 5.304 1.00 0.00 H new ATOM 526 N LYS A 36 -1.711 1.410 4.684 1.00 0.00 N ATOM 527 CA LYS A 36 -0.493 1.728 5.420 1.00 0.00 C ATOM 528 C LYS A 36 0.741 1.513 4.548 1.00 0.00 C ATOM 529 O LYS A 36 1.393 2.471 4.134 1.00 0.00 O ATOM 530 CB LYS A 36 -0.395 0.866 6.681 1.00 0.00 C ATOM 531 CG LYS A 36 0.897 1.065 7.454 1.00 0.00 C ATOM 532 CD LYS A 36 1.802 -0.152 7.352 1.00 0.00 C ATOM 533 CE LYS A 36 2.576 -0.381 8.641 1.00 0.00 C ATOM 534 NZ LYS A 36 3.691 -1.350 8.453 1.00 0.00 N ATOM 0 H LYS A 36 -1.991 0.431 4.736 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.535 2.779 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.238 1.094 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.483 -0.184 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.420 1.941 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.669 1.263 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.203 -1.034 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.500 -0.019 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.976 0.568 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.899 -0.751 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.772 -1.954 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.500 -1.942 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.582 -0.832 8.312 1.00 0.00 H new ATOM 548 N GLN A 37 1.054 0.251 4.273 1.00 0.00 N ATOM 549 CA GLN A 37 2.208 -0.088 3.451 1.00 0.00 C ATOM 550 C GLN A 37 2.282 0.811 2.220 1.00 0.00 C ATOM 551 O GLN A 37 3.346 0.974 1.622 1.00 0.00 O ATOM 552 CB GLN A 37 2.144 -1.554 3.022 1.00 0.00 C ATOM 553 CG GLN A 37 3.354 -2.367 3.451 1.00 0.00 C ATOM 554 CD GLN A 37 3.022 -3.385 4.525 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.100 -3.092 5.719 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.649 -4.589 4.106 1.00 0.00 N ATOM 0 H GLN A 37 0.524 -0.553 4.608 1.00 0.00 H new ATOM 0 HA GLN A 37 3.106 0.069 4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.245 -2.007 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.050 -1.603 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.768 -2.881 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.127 -1.693 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.598 -4.788 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.413 -5.314 4.783 1.00 0.00 H new ATOM 565 N TYR A 38 1.147 1.392 1.849 1.00 0.00 N ATOM 566 CA TYR A 38 1.083 2.272 0.689 1.00 0.00 C ATOM 567 C TYR A 38 1.551 3.680 1.045 1.00 0.00 C ATOM 568 O TYR A 38 2.462 4.222 0.419 1.00 0.00 O ATOM 569 CB TYR A 38 -0.343 2.321 0.138 1.00 0.00 C ATOM 570 CG TYR A 38 -0.786 3.707 -0.273 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.976 4.247 0.203 1.00 0.00 C ATOM 572 CD2 TYR A 38 -0.017 4.477 -1.137 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.385 5.512 -0.171 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.418 5.744 -1.514 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.603 6.257 -1.029 1.00 0.00 C ATOM 576 OH TYR A 38 -2.006 7.518 -1.404 1.00 0.00 O ATOM 0 H TYR A 38 0.259 1.269 2.335 1.00 0.00 H new ATOM 0 HA TYR A 38 1.748 1.871 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.414 1.656 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.029 1.939 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.590 3.668 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.910 4.078 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.313 5.916 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.193 6.330 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.431 7.477 -2.286 1.00 0.00 H new ATOM 586 N VAL A 39 0.921 4.267 2.059 1.00 0.00 N ATOM 587 CA VAL A 39 1.272 5.611 2.502 1.00 0.00 C ATOM 588 C VAL A 39 2.551 5.598 3.333 1.00 0.00 C ATOM 589 O VAL A 39 3.484 6.352 3.063 1.00 0.00 O ATOM 590 CB VAL A 39 0.139 6.241 3.332 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.151 6.290 2.527 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.062 5.473 4.630 1.00 0.00 C ATOM 0 H VAL A 39 0.165 3.832 2.589 1.00 0.00 H new ATOM 0 HA VAL A 39 1.431 6.210 1.605 1.00 0.00 H new ATOM 0 HB VAL A 39 0.422 7.264 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.940 6.739 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.997 6.888 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.442 5.278 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.867 5.933 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.322 4.439 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.859 5.497 5.213 1.00 0.00 H new ATOM 602 N GLU A 40 2.583 4.737 4.345 1.00 0.00 N ATOM 603 CA GLU A 40 3.749 4.627 5.216 1.00 0.00 C ATOM 604 C GLU A 40 5.036 4.871 4.435 1.00 0.00 C ATOM 605 O GLU A 40 5.992 5.447 4.956 1.00 0.00 O ATOM 606 CB GLU A 40 3.791 3.247 5.874 1.00 0.00 C ATOM 607 CG GLU A 40 4.331 3.268 7.295 1.00 0.00 C ATOM 608 CD GLU A 40 5.750 2.742 7.387 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.400 2.601 6.332 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.210 2.470 8.516 1.00 0.00 O ATOM 0 H GLU A 40 1.817 4.106 4.582 1.00 0.00 H new ATOM 0 HA GLU A 40 3.666 5.389 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.785 2.827 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.409 2.584 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.300 4.289 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.683 2.669 7.935 1.00 0.00 H new ATOM 617 N LEU A 41 5.054 4.428 3.182 1.00 0.00 N ATOM 618 CA LEU A 41 6.225 4.598 2.328 1.00 0.00 C ATOM 619 C LEU A 41 6.335 6.037 1.834 1.00 0.00 C ATOM 620 O LEU A 41 7.407 6.643 1.889 1.00 0.00 O ATOM 621 CB LEU A 41 6.153 3.641 1.136 1.00 0.00 C ATOM 622 CG LEU A 41 6.741 2.247 1.358 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.260 2.310 1.410 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.186 1.631 2.634 1.00 0.00 C ATOM 0 H LEU A 41 4.272 3.949 2.735 1.00 0.00 H new ATOM 0 HA LEU A 41 7.112 4.368 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.108 3.531 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.670 4.102 0.294 1.00 0.00 H new ATOM 0 HG LEU A 41 6.453 1.614 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.660 1.309 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.640 2.708 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.569 2.959 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.615 0.639 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.443 2.263 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.102 1.549 2.557 1.00 0.00 H new ATOM 636 N LEU A 42 5.222 6.578 1.353 1.00 0.00 N ATOM 637 CA LEU A 42 5.192 7.948 0.852 1.00 0.00 C ATOM 638 C LEU A 42 5.220 8.950 2.002 1.00 0.00 C ATOM 639 O LEU A 42 6.136 9.767 2.104 1.00 0.00 O ATOM 640 CB LEU A 42 3.944 8.172 -0.004 1.00 0.00 C ATOM 641 CG LEU A 42 3.867 7.366 -1.301 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.433 6.951 -1.587 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.434 8.168 -2.464 1.00 0.00 C ATOM 0 H LEU A 42 4.328 6.090 1.299 1.00 0.00 H new ATOM 0 HA LEU A 42 6.079 8.103 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.067 7.937 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.884 9.231 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 42 4.468 6.465 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.398 6.378 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.061 6.337 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.810 7.840 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.371 7.578 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.861 9.088 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.477 8.414 -2.262 1.00 0.00 H new ATOM 655 N ILE A 43 4.213 8.879 2.866 1.00 0.00 N ATOM 656 CA ILE A 43 4.124 9.778 4.010 1.00 0.00 C ATOM 657 C ILE A 43 5.500 10.036 4.614 1.00 0.00 C ATOM 658 O ILE A 43 5.821 11.159 5.002 1.00 0.00 O ATOM 659 CB ILE A 43 3.195 9.213 5.100 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.955 10.095 5.251 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.938 9.100 6.423 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.980 9.971 4.102 1.00 0.00 C ATOM 0 H ILE A 43 3.448 8.208 2.796 1.00 0.00 H new ATOM 0 HA ILE A 43 3.709 10.716 3.642 1.00 0.00 H new ATOM 0 HB ILE A 43 2.873 8.215 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.445 9.835 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.268 11.135 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.268 8.699 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.793 8.434 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.287 10.086 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.126 10.625 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.473 10.260 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.637 8.939 4.025 1.00 0.00 H new ATOM 674 N LYS A 44 6.313 8.987 4.689 1.00 0.00 N ATOM 675 CA LYS A 44 7.658 9.099 5.244 1.00 0.00 C ATOM 676 C LYS A 44 8.519 10.029 4.398 1.00 0.00 C ATOM 677 O LYS A 44 9.272 10.846 4.929 1.00 0.00 O ATOM 678 CB LYS A 44 8.311 7.718 5.329 1.00 0.00 C ATOM 679 CG LYS A 44 8.496 7.219 6.752 1.00 0.00 C ATOM 680 CD LYS A 44 7.198 7.285 7.539 1.00 0.00 C ATOM 681 CE LYS A 44 6.495 5.937 7.568 1.00 0.00 C ATOM 682 NZ LYS A 44 6.456 5.361 8.941 1.00 0.00 N ATOM 0 H LYS A 44 6.064 8.050 4.373 1.00 0.00 H new ATOM 0 HA LYS A 44 7.578 9.519 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.701 7.002 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.283 7.754 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.860 6.192 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.257 7.818 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.405 7.610 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.539 8.031 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.478 6.050 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.007 5.246 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.858 4.402 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.012 5.960 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.471 5.318 9.272 1.00 0.00 H new ATOM 696 N GLU A 45 8.403 9.902 3.079 1.00 0.00 N ATOM 697 CA GLU A 45 9.171 10.734 2.161 1.00 0.00 C ATOM 698 C GLU A 45 8.650 12.168 2.160 1.00 0.00 C ATOM 699 O GLU A 45 9.198 13.039 2.834 1.00 0.00 O ATOM 700 CB GLU A 45 9.114 10.157 0.745 1.00 0.00 C ATOM 701 CG GLU A 45 10.433 9.575 0.270 1.00 0.00 C ATOM 702 CD GLU A 45 11.538 10.612 0.200 1.00 0.00 C ATOM 703 OE1 GLU A 45 12.670 10.303 0.627 1.00 0.00 O ATOM 704 OE2 GLU A 45 11.269 11.733 -0.280 1.00 0.00 O ATOM 0 H GLU A 45 7.785 9.231 2.623 1.00 0.00 H new ATOM 0 HA GLU A 45 10.207 10.743 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.350 9.380 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.803 10.941 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.735 8.773 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.295 9.129 -0.715 1.00 0.00 H new ATOM 711 N GLY A 46 7.588 12.405 1.397 1.00 0.00 N ATOM 712 CA GLY A 46 7.011 13.735 1.320 1.00 0.00 C ATOM 713 C GLY A 46 7.400 14.464 0.050 1.00 0.00 C ATOM 714 O GLY A 46 6.822 15.500 -0.282 1.00 0.00 O ATOM 0 H GLY A 46 7.116 11.700 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.925 13.660 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.333 14.318 2.183 1.00 0.00 H new ATOM 718 N LEU A 47 8.383 13.924 -0.662 1.00 0.00 N ATOM 719 CA LEU A 47 8.851 14.532 -1.904 1.00 0.00 C ATOM 720 C LEU A 47 7.675 14.934 -2.790 1.00 0.00 C ATOM 721 O LEU A 47 7.648 16.035 -3.339 1.00 0.00 O ATOM 722 CB LEU A 47 9.763 13.562 -2.657 1.00 0.00 C ATOM 723 CG LEU A 47 9.064 12.563 -3.580 1.00 0.00 C ATOM 724 CD1 LEU A 47 10.064 11.930 -4.535 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.350 11.494 -2.766 1.00 0.00 C ATOM 0 H LEU A 47 8.871 13.067 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 47 9.415 15.430 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.467 14.144 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.348 13.003 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 47 8.320 13.100 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.549 11.222 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.529 12.707 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.831 11.407 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.858 10.792 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.075 10.960 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.605 11.963 -2.124 1.00 0.00 H new ATOM 737 N GLU A 48 6.705 14.035 -2.921 1.00 0.00 N ATOM 738 CA GLU A 48 5.527 14.298 -3.739 1.00 0.00 C ATOM 739 C GLU A 48 4.524 13.152 -3.634 1.00 0.00 C ATOM 740 O GLU A 48 4.453 12.466 -2.613 1.00 0.00 O ATOM 741 CB GLU A 48 5.929 14.505 -5.201 1.00 0.00 C ATOM 742 CG GLU A 48 6.296 13.218 -5.920 1.00 0.00 C ATOM 743 CD GLU A 48 7.442 13.400 -6.895 1.00 0.00 C ATOM 744 OE1 GLU A 48 8.210 12.435 -7.096 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.572 14.508 -7.458 1.00 0.00 O ATOM 0 H GLU A 48 6.711 13.119 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 48 5.055 15.207 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.106 14.985 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.777 15.189 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.567 12.460 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.424 12.845 -6.456 1.00 0.00 H new ATOM 752 N THR A 49 3.750 12.950 -4.696 1.00 0.00 N ATOM 753 CA THR A 49 2.751 11.891 -4.723 1.00 0.00 C ATOM 754 C THR A 49 1.451 12.343 -4.068 1.00 0.00 C ATOM 755 O THR A 49 0.370 11.884 -4.432 1.00 0.00 O ATOM 756 CB THR A 49 3.258 10.622 -4.010 1.00 0.00 C ATOM 757 OG1 THR A 49 4.650 10.430 -4.282 1.00 0.00 O ATOM 758 CG2 THR A 49 2.474 9.399 -4.460 1.00 0.00 C ATOM 0 H THR A 49 3.797 13.507 -5.549 1.00 0.00 H new ATOM 0 HA THR A 49 2.564 11.660 -5.772 1.00 0.00 H new ATOM 0 HB THR A 49 3.113 10.752 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.765 9.650 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.850 8.516 -3.943 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.419 9.536 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.591 9.267 -5.536 1.00 0.00 H new ATOM 766 N ALA A 50 1.565 13.246 -3.100 1.00 0.00 N ATOM 767 CA ALA A 50 0.398 13.763 -2.397 1.00 0.00 C ATOM 768 C ALA A 50 -0.467 12.628 -1.860 1.00 0.00 C ATOM 769 O ALA A 50 -1.628 12.834 -1.504 1.00 0.00 O ATOM 770 CB ALA A 50 -0.417 14.661 -3.315 1.00 0.00 C ATOM 0 H ALA A 50 2.454 13.635 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 50 0.748 14.351 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.286 15.040 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.198 15.498 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.749 14.090 -4.182 1.00 0.00 H new ATOM 776 N ILE A 51 0.105 11.429 -1.806 1.00 0.00 N ATOM 777 CA ILE A 51 -0.615 10.261 -1.313 1.00 0.00 C ATOM 778 C ILE A 51 -2.089 10.321 -1.699 1.00 0.00 C ATOM 779 O ILE A 51 -2.929 10.768 -0.917 1.00 0.00 O ATOM 780 CB ILE A 51 -0.501 10.134 0.218 1.00 0.00 C ATOM 781 CG1 ILE A 51 0.962 9.955 0.629 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.345 8.971 0.717 1.00 0.00 C ATOM 783 CD1 ILE A 51 1.861 11.079 0.166 1.00 0.00 C ATOM 0 H ILE A 51 1.064 11.241 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.156 9.388 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.876 11.050 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.019 9.879 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.332 9.014 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.254 8.894 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.389 9.139 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.998 8.046 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.883 10.886 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.834 11.142 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.516 12.021 0.593 1.00 0.00 H new ATOM 795 N SER A 52 -2.398 9.866 -2.909 1.00 0.00 N ATOM 796 CA SER A 52 -3.771 9.869 -3.399 1.00 0.00 C ATOM 797 C SER A 52 -4.429 8.510 -3.181 1.00 0.00 C ATOM 798 O SER A 52 -3.753 7.483 -3.119 1.00 0.00 O ATOM 799 CB SER A 52 -3.804 10.231 -4.886 1.00 0.00 C ATOM 800 OG SER A 52 -2.547 10.723 -5.318 1.00 0.00 O ATOM 0 H SER A 52 -1.716 9.491 -3.568 1.00 0.00 H new ATOM 0 HA SER A 52 -4.329 10.618 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.075 9.353 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.573 10.983 -5.064 1.00 0.00 H new ATOM 0 HG SER A 52 -2.593 10.946 -6.271 1.00 0.00 H new ATOM 806 N CYS A 53 -5.753 8.513 -3.064 1.00 0.00 N ATOM 807 CA CYS A 53 -6.504 7.282 -2.852 1.00 0.00 C ATOM 808 C CYS A 53 -5.852 6.113 -3.582 1.00 0.00 C ATOM 809 O CYS A 53 -5.440 6.222 -4.737 1.00 0.00 O ATOM 810 CB CYS A 53 -7.948 7.453 -3.329 1.00 0.00 C ATOM 811 SG CYS A 53 -8.985 5.971 -3.108 1.00 0.00 S ATOM 0 H CYS A 53 -6.327 9.354 -3.112 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.503 7.066 -1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.402 8.284 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.941 7.724 -4.385 1.00 0.00 H new ATOM 0 HG CYS A 53 -10.134 6.316 -2.608 1.00 0.00 H new ATOM 816 N PRO A 54 -5.754 4.965 -2.895 1.00 0.00 N ATOM 817 CA PRO A 54 -5.153 3.753 -3.459 1.00 0.00 C ATOM 818 C PRO A 54 -6.013 3.136 -4.555 1.00 0.00 C ATOM 819 O PRO A 54 -5.682 2.080 -5.097 1.00 0.00 O ATOM 820 CB PRO A 54 -5.062 2.810 -2.256 1.00 0.00 C ATOM 821 CG PRO A 54 -6.132 3.273 -1.329 1.00 0.00 C ATOM 822 CD PRO A 54 -6.223 4.763 -1.513 1.00 0.00 C ATOM 0 HA PRO A 54 -4.193 3.956 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.218 1.773 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.080 2.863 -1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.083 2.793 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.890 3.021 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.243 5.123 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.599 5.296 -0.795 1.00 0.00 H new ATOM 830 N ASP A 55 -7.117 3.800 -4.879 1.00 0.00 N ATOM 831 CA ASP A 55 -8.024 3.317 -5.913 1.00 0.00 C ATOM 832 C ASP A 55 -8.066 4.282 -7.094 1.00 0.00 C ATOM 833 O ASP A 55 -8.854 5.227 -7.107 1.00 0.00 O ATOM 834 CB ASP A 55 -9.430 3.129 -5.342 1.00 0.00 C ATOM 835 CG ASP A 55 -9.932 1.707 -5.493 1.00 0.00 C ATOM 836 OD1 ASP A 55 -9.370 0.806 -4.837 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.889 1.495 -6.268 1.00 0.00 O ATOM 0 H ASP A 55 -7.405 4.675 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.652 2.355 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.429 3.401 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.117 3.809 -5.846 1.00 0.00 H new ATOM 842 N ALA A 56 -7.211 4.038 -8.083 1.00 0.00 N ATOM 843 CA ALA A 56 -7.152 4.885 -9.267 1.00 0.00 C ATOM 844 C ALA A 56 -8.503 4.943 -9.969 1.00 0.00 C ATOM 845 O ALA A 56 -8.716 5.765 -10.859 1.00 0.00 O ATOM 846 CB ALA A 56 -6.079 4.382 -10.222 1.00 0.00 C ATOM 0 H ALA A 56 -6.550 3.261 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.895 5.895 -8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.046 5.024 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.110 4.400 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.312 3.361 -10.526 1.00 0.00 H new ATOM 852 N ALA A 57 -9.414 4.063 -9.565 1.00 0.00 N ATOM 853 CA ALA A 57 -10.746 4.015 -10.155 1.00 0.00 C ATOM 854 C ALA A 57 -11.758 4.754 -9.286 1.00 0.00 C ATOM 855 O ALA A 57 -12.965 4.669 -9.513 1.00 0.00 O ATOM 856 CB ALA A 57 -11.179 2.571 -10.362 1.00 0.00 C ATOM 0 H ALA A 57 -9.253 3.373 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.706 4.513 -11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.175 2.550 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.476 2.072 -11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.196 2.055 -9.402 1.00 0.00 H new ATOM 862 N CYS A 58 -11.259 5.479 -8.290 1.00 0.00 N ATOM 863 CA CYS A 58 -12.119 6.231 -7.386 1.00 0.00 C ATOM 864 C CYS A 58 -12.794 7.389 -8.116 1.00 0.00 C ATOM 865 O CYS A 58 -12.163 8.139 -8.861 1.00 0.00 O ATOM 866 CB CYS A 58 -11.309 6.763 -6.202 1.00 0.00 C ATOM 867 SG CYS A 58 -12.325 7.340 -4.804 1.00 0.00 S ATOM 0 H CYS A 58 -10.262 5.561 -8.089 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.892 5.558 -7.015 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.640 5.977 -5.851 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.682 7.586 -6.545 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.319 6.442 -3.864 1.00 0.00 H new ATOM 872 N PRO A 59 -14.109 7.540 -7.897 1.00 0.00 N ATOM 873 CA PRO A 59 -14.899 8.604 -8.524 1.00 0.00 C ATOM 874 C PRO A 59 -14.549 9.984 -7.976 1.00 0.00 C ATOM 875 O PRO A 59 -14.875 11.004 -8.582 1.00 0.00 O ATOM 876 CB PRO A 59 -16.340 8.235 -8.164 1.00 0.00 C ATOM 877 CG PRO A 59 -16.226 7.433 -6.915 1.00 0.00 C ATOM 878 CD PRO A 59 -14.926 6.684 -7.021 1.00 0.00 C ATOM 0 HA PRO A 59 -14.717 8.669 -9.597 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.949 9.125 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.812 7.661 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.235 8.077 -6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.066 6.745 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.460 6.547 -6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.068 5.691 -7.448 1.00 0.00 H new ATOM 886 N LYS A 60 -13.886 10.008 -6.825 1.00 0.00 N ATOM 887 CA LYS A 60 -13.490 11.262 -6.196 1.00 0.00 C ATOM 888 C LYS A 60 -11.972 11.363 -6.089 1.00 0.00 C ATOM 889 O LYS A 60 -11.419 12.459 -6.006 1.00 0.00 O ATOM 890 CB LYS A 60 -14.118 11.379 -4.805 1.00 0.00 C ATOM 891 CG LYS A 60 -13.455 12.423 -3.923 1.00 0.00 C ATOM 892 CD LYS A 60 -14.454 13.073 -2.980 1.00 0.00 C ATOM 893 CE LYS A 60 -15.080 14.313 -3.599 1.00 0.00 C ATOM 894 NZ LYS A 60 -15.641 15.226 -2.566 1.00 0.00 N ATOM 0 H LYS A 60 -13.611 9.172 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.848 12.081 -6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.175 11.624 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.065 10.410 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.657 11.958 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.992 13.187 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.236 12.357 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.955 13.342 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.330 14.845 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.870 14.015 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.058 16.059 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.375 14.727 -2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.882 15.531 -1.923 1.00 0.00 H new ATOM 908 N GLN A 61 -11.305 10.213 -6.093 1.00 0.00 N ATOM 909 CA GLN A 61 -9.851 10.173 -5.997 1.00 0.00 C ATOM 910 C GLN A 61 -9.355 11.082 -4.879 1.00 0.00 C ATOM 911 O GLN A 61 -8.434 11.876 -5.072 1.00 0.00 O ATOM 912 CB GLN A 61 -9.220 10.589 -7.327 1.00 0.00 C ATOM 913 CG GLN A 61 -9.595 9.683 -8.489 1.00 0.00 C ATOM 914 CD GLN A 61 -8.559 9.692 -9.595 1.00 0.00 C ATOM 915 OE1 GLN A 61 -7.519 10.341 -9.481 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.839 8.973 -10.675 1.00 0.00 N ATOM 0 H GLN A 61 -11.749 9.297 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.555 9.150 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.524 11.609 -7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.135 10.596 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.722 8.664 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.556 9.998 -8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.713 8.450 -10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.180 8.943 -11.453 1.00 0.00 H new ATOM 925 N GLY A 62 -9.970 10.962 -3.707 1.00 0.00 N ATOM 926 CA GLY A 62 -9.577 11.780 -2.573 1.00 0.00 C ATOM 927 C GLY A 62 -8.126 11.574 -2.186 1.00 0.00 C ATOM 928 O GLY A 62 -7.597 10.466 -2.296 1.00 0.00 O ATOM 0 H GLY A 62 -10.734 10.312 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.740 12.831 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.214 11.545 -1.721 1.00 0.00 H new ATOM 932 N HIS A 63 -7.479 12.642 -1.731 1.00 0.00 N ATOM 933 CA HIS A 63 -6.080 12.573 -1.327 1.00 0.00 C ATOM 934 C HIS A 63 -5.958 12.380 0.182 1.00 0.00 C ATOM 935 O HIS A 63 -6.944 12.486 0.912 1.00 0.00 O ATOM 936 CB HIS A 63 -5.340 13.843 -1.752 1.00 0.00 C ATOM 937 CG HIS A 63 -4.991 13.875 -3.207 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.793 14.466 -4.161 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.918 13.385 -3.871 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.229 14.336 -5.348 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.089 13.685 -5.200 1.00 0.00 N ATOM 0 H HIS A 63 -7.901 13.565 -1.633 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.627 11.715 -1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.958 14.710 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.426 13.934 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.083 12.856 -3.436 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.632 14.700 -6.282 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.441 13.444 -5.951 1.00 0.00 H new ATOM 949 N LEU A 64 -4.745 12.096 0.642 1.00 0.00 N ATOM 950 CA LEU A 64 -4.496 11.887 2.064 1.00 0.00 C ATOM 951 C LEU A 64 -3.485 12.899 2.594 1.00 0.00 C ATOM 952 O LEU A 64 -2.719 13.484 1.828 1.00 0.00 O ATOM 953 CB LEU A 64 -3.988 10.465 2.309 1.00 0.00 C ATOM 954 CG LEU A 64 -5.038 9.356 2.242 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.421 8.068 1.723 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.668 9.134 3.609 1.00 0.00 C ATOM 0 H LEU A 64 -3.918 12.005 0.051 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.436 12.027 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.211 10.247 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.517 10.433 3.292 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.821 9.665 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.183 7.290 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.018 8.234 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.618 7.755 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.413 8.341 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.896 8.847 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.147 10.054 3.943 1.00 0.00 H new ATOM 968 N GLN A 65 -3.488 13.098 3.907 1.00 0.00 N ATOM 969 CA GLN A 65 -2.570 14.039 4.539 1.00 0.00 C ATOM 970 C GLN A 65 -1.217 13.385 4.803 1.00 0.00 C ATOM 971 O GLN A 65 -1.075 12.167 4.699 1.00 0.00 O ATOM 972 CB GLN A 65 -3.161 14.560 5.850 1.00 0.00 C ATOM 973 CG GLN A 65 -4.639 14.244 6.019 1.00 0.00 C ATOM 974 CD GLN A 65 -4.878 12.852 6.569 1.00 0.00 C ATOM 975 OE1 GLN A 65 -3.899 11.971 6.400 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -5.933 12.570 7.140 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.115 12.621 4.555 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.423 14.877 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.608 14.129 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.021 15.640 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.089 14.977 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.140 14.341 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.659 13.278 7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.080 11.629 7.504 1.00 0.00 H new ATOM 985 N GLU A 66 -0.226 14.203 5.144 1.00 0.00 N ATOM 986 CA GLU A 66 1.116 13.703 5.420 1.00 0.00 C ATOM 987 C GLU A 66 1.286 13.396 6.905 1.00 0.00 C ATOM 988 O GLU A 66 1.998 12.466 7.280 1.00 0.00 O ATOM 989 CB GLU A 66 2.166 14.723 4.975 1.00 0.00 C ATOM 990 CG GLU A 66 2.934 14.302 3.734 1.00 0.00 C ATOM 991 CD GLU A 66 4.433 14.485 3.885 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.961 14.171 4.972 1.00 0.00 O ATOM 993 OE2 GLU A 66 5.075 14.944 2.918 1.00 0.00 O ATOM 0 H GLU A 66 -0.327 15.214 5.236 1.00 0.00 H new ATOM 0 HA GLU A 66 1.256 12.780 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.675 15.677 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.871 14.886 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.720 13.256 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.585 14.883 2.881 1.00 0.00 H new ATOM 1000 N ASN A 67 0.627 14.187 7.746 1.00 0.00 N ATOM 1001 CA ASN A 67 0.706 14.001 9.191 1.00 0.00 C ATOM 1002 C ASN A 67 -0.375 13.041 9.676 1.00 0.00 C ATOM 1003 O ASN A 67 -0.077 11.960 10.181 1.00 0.00 O ATOM 1004 CB ASN A 67 0.569 15.346 9.907 1.00 0.00 C ATOM 1005 CG ASN A 67 0.278 15.186 11.387 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.507 14.123 11.964 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -0.229 16.245 12.008 1.00 0.00 N ATOM 0 H ASN A 67 0.033 14.962 7.452 1.00 0.00 H new ATOM 0 HA ASN A 67 1.680 13.570 9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.488 15.917 9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.231 15.922 9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.445 16.197 13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.402 17.106 11.489 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.632 13.444 9.516 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.758 12.619 9.938 1.00 0.00 C ATOM 1016 C GLU A 68 -2.490 11.145 9.651 1.00 0.00 C ATOM 1017 O GLU A 68 -2.876 10.270 10.426 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.039 13.065 9.229 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.037 13.750 10.149 1.00 0.00 C ATOM 1020 CD GLU A 68 -5.955 12.767 10.847 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.162 13.067 10.971 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -5.470 11.698 11.272 1.00 0.00 O ATOM 0 H GLU A 68 -1.896 14.336 9.098 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.885 12.744 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.778 13.746 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.514 12.196 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.497 14.331 10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.636 14.453 9.570 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.827 10.878 8.530 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.508 9.511 8.140 1.00 0.00 C ATOM 1031 C ILE A 69 -0.345 8.963 8.961 1.00 0.00 C ATOM 1032 O ILE A 69 -0.494 7.977 9.683 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.152 9.421 6.644 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.418 9.513 5.791 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.405 8.128 6.355 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.430 8.555 4.620 1.00 0.00 C ATOM 0 H ILE A 69 -1.501 11.590 7.877 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.399 8.912 8.330 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.502 10.258 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.285 9.315 6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.521 10.532 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.160 8.079 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.514 8.100 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.032 7.278 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.357 8.676 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.582 8.767 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.359 7.531 4.987 1.00 0.00 H new ATOM 1048 N GLU A 70 0.810 9.609 8.846 1.00 0.00 N ATOM 1049 CA GLU A 70 1.997 9.185 9.579 1.00 0.00 C ATOM 1050 C GLU A 70 1.682 8.989 11.059 1.00 0.00 C ATOM 1051 O GLU A 70 2.400 8.284 11.770 1.00 0.00 O ATOM 1052 CB GLU A 70 3.118 10.215 9.418 1.00 0.00 C ATOM 1053 CG GLU A 70 3.088 11.316 10.464 1.00 0.00 C ATOM 1054 CD GLU A 70 4.266 12.264 10.347 1.00 0.00 C ATOM 1055 OE1 GLU A 70 5.383 11.876 10.753 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.072 13.394 9.851 1.00 0.00 O ATOM 0 H GLU A 70 0.950 10.427 8.253 1.00 0.00 H new ATOM 0 HA GLU A 70 2.326 8.232 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.079 9.704 9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.047 10.664 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.161 11.881 10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.084 10.868 11.458 1.00 0.00 H new ATOM 1063 N CYS A 71 0.605 9.617 11.517 1.00 0.00 N ATOM 1064 CA CYS A 71 0.194 9.513 12.912 1.00 0.00 C ATOM 1065 C CYS A 71 -0.465 8.165 13.187 1.00 0.00 C ATOM 1066 O CYS A 71 -0.352 7.620 14.284 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.770 10.647 13.267 1.00 0.00 C ATOM 1068 SG CYS A 71 -0.063 11.899 14.364 1.00 0.00 S ATOM 0 H CYS A 71 0.000 10.204 10.942 1.00 0.00 H new ATOM 0 HA CYS A 71 1.085 9.594 13.534 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.101 11.130 12.347 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.655 10.222 13.740 1.00 0.00 H new ATOM 0 HG CYS A 71 0.276 12.944 13.669 1.00 0.00 H new ATOM 1074 N MET A 72 -1.154 7.633 12.181 1.00 0.00 N ATOM 1075 CA MET A 72 -1.830 6.348 12.315 1.00 0.00 C ATOM 1076 C MET A 72 -0.858 5.195 12.088 1.00 0.00 C ATOM 1077 O MET A 72 -1.264 4.036 12.001 1.00 0.00 O ATOM 1078 CB MET A 72 -2.992 6.255 11.323 1.00 0.00 C ATOM 1079 CG MET A 72 -2.630 5.545 10.028 1.00 0.00 C ATOM 1080 SD MET A 72 -3.736 5.971 8.670 1.00 0.00 S ATOM 1081 CE MET A 72 -2.737 5.500 7.260 1.00 0.00 C ATOM 0 H MET A 72 -1.258 8.072 11.266 1.00 0.00 H new ATOM 0 HA MET A 72 -2.220 6.274 13.330 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.822 5.730 11.796 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.342 7.261 11.091 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.607 5.800 9.752 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.657 4.467 10.189 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.959 6.159 6.421 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.681 5.584 7.518 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.962 4.470 6.982 1.00 0.00 H new ATOM 1091 N VAL A 73 0.427 5.521 11.991 1.00 0.00 N ATOM 1092 CA VAL A 73 1.457 4.512 11.775 1.00 0.00 C ATOM 1093 C VAL A 73 2.671 4.768 12.661 1.00 0.00 C ATOM 1094 O VAL A 73 3.047 3.925 13.475 1.00 0.00 O ATOM 1095 CB VAL A 73 1.908 4.476 10.303 1.00 0.00 C ATOM 1096 CG1 VAL A 73 0.883 3.746 9.448 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.140 5.887 9.783 1.00 0.00 C ATOM 0 H VAL A 73 0.779 6.476 12.059 1.00 0.00 H new ATOM 0 HA VAL A 73 1.017 3.550 12.036 1.00 0.00 H new ATOM 0 HB VAL A 73 2.850 3.931 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.219 3.731 8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.771 2.723 9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.076 4.260 9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.458 5.843 8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.215 6.458 9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.914 6.372 10.379 1.00 0.00 H new ATOM 1107 N ALA A 74 3.281 5.937 12.496 1.00 0.00 N ATOM 1108 CA ALA A 74 4.452 6.305 13.282 1.00 0.00 C ATOM 1109 C ALA A 74 4.061 7.165 14.479 1.00 0.00 C ATOM 1110 O ALA A 74 4.809 8.052 14.889 1.00 0.00 O ATOM 1111 CB ALA A 74 5.464 7.037 12.413 1.00 0.00 C ATOM 0 H ALA A 74 2.984 6.645 11.825 1.00 0.00 H new ATOM 0 HA ALA A 74 4.908 5.389 13.658 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.333 7.305 13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.776 6.390 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.009 7.941 12.008 1.00 0.00 H new ATOM 1117 N ALA A 75 2.884 6.898 15.035 1.00 0.00 N ATOM 1118 CA ALA A 75 2.394 7.647 16.186 1.00 0.00 C ATOM 1119 C ALA A 75 3.540 8.044 17.110 1.00 0.00 C ATOM 1120 O ALA A 75 3.338 8.871 17.998 1.00 0.00 O ATOM 1121 CB ALA A 75 1.361 6.829 16.947 1.00 0.00 C ATOM 0 H ALA A 75 2.252 6.168 14.707 1.00 0.00 H new ATOM 0 HA ALA A 75 1.922 8.559 15.821 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.004 7.400 17.804 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.523 6.599 16.289 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.815 5.901 17.294 1.00 0.00 H new