USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 969 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 71 THR OG1 : rot 26:sc= -6.81! USER MOD Set 1.2: A 144 SER OG : rot -51:sc= -1.25 USER MOD Set 2.1: A 27 THR OG1 : rot 64:sc= -4.24! USER MOD Set 2.2: A 28 SER OG : rot 34:sc= -3.41! USER MOD Single : A 12 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-4.7!) USER MOD Single : A 13 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 14 SER OG : rot -63:sc= 0.103 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 153:sc= -0.0188 (180deg=-0.775) USER MOD Single : A 45 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 47 ASN : amide:sc= -8.35! C(o=-8.3!,f=-11!) USER MOD Single : A 55 TYR OH : rot 0:sc= -1.79 USER MOD Single : A 56 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 65 SER OG : rot 170:sc= -1.91 USER MOD Single : A 66 TYR OH : rot 153:sc= -1.2! USER MOD Single : A 69 SER OG : rot -66:sc= 0.785 USER MOD Single : A 73 SER OG : rot 180:sc= -0.521 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 78 MET CE :methyl -143:sc= -0.441 (180deg=-2.49!) USER MOD Single : A 93 THR OG1 : rot 129:sc= -0.605! USER MOD Single : A 97 GLN : amide:sc= -22.7! C(o=-23!,f=-24!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 108 THR OG1 : rot -84:sc= 0.0801 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 115 SER OG : rot -29:sc= -12.9! USER MOD Single : A 116 ASN : amide:sc= -2.17! C(o=-2.2!,f=-13!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 128 GLN :FLIP amide:sc= -3! C(o=-4.5!,f=-3!) USER MOD Single : A 132 HIS : no HD1:sc= -4.82! C(o=-4.8!,f=-6.4!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 165:sc= -3.79! USER MOD Single : A 145 GLN : amide:sc= -3.7! C(o=-3.7!,f=-4.5!) USER MOD Single : A 147 SER OG : rot 68:sc= 0.738 USER MOD Single : A 149 THR OG1 : rot 171:sc= -2.07! USER MOD Single : A 150 THR OG1 : rot 70:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.488 -8.586 -10.762 1.00 2.11 N ATOM 82 CA VAL A 7 -13.082 -7.232 -10.940 1.00 2.12 C ATOM 83 C VAL A 7 -11.964 -6.205 -11.131 1.00 2.11 C ATOM 84 O VAL A 7 -11.758 -5.337 -10.307 1.00 2.83 O ATOM 85 CB VAL A 7 -13.903 -6.869 -9.700 1.00 2.16 C ATOM 86 CG1 VAL A 7 -15.134 -6.064 -10.118 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.349 -8.151 -8.993 1.00 2.42 C ATOM 0 HA VAL A 7 -13.729 -7.231 -11.817 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.293 -6.272 -9.023 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.718 -5.806 -9.234 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.818 -5.151 -10.623 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.746 -6.660 -10.795 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -14.934 -7.895 -8.110 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.959 -8.747 -9.672 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.472 -8.725 -8.694 1.00 2.42 H new ATOM 97 N GLU A 8 -11.241 -6.297 -12.212 1.00 1.96 N ATOM 98 CA GLU A 8 -10.136 -5.326 -12.456 1.00 2.32 C ATOM 99 C GLU A 8 -10.708 -4.048 -13.071 1.00 2.30 C ATOM 100 O GLU A 8 -11.156 -4.037 -14.200 1.00 2.59 O ATOM 101 CB GLU A 8 -9.117 -5.943 -13.415 1.00 3.06 C ATOM 102 CG GLU A 8 -7.705 -5.731 -12.866 1.00 3.55 C ATOM 103 CD GLU A 8 -7.408 -6.785 -11.799 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.500 -7.960 -12.113 1.00 4.75 O ATOM 105 OE2 GLU A 8 -7.094 -6.399 -10.685 1.00 4.42 O ATOM 0 H GLU A 8 -11.367 -7.003 -12.938 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.646 -5.087 -11.512 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.315 -7.008 -13.537 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.207 -5.487 -14.401 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -6.976 -5.800 -13.673 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.615 -4.732 -12.440 1.00 3.55 H new ATOM 112 N LEU A 9 -10.694 -2.968 -12.339 1.00 2.76 N ATOM 113 CA LEU A 9 -11.235 -1.691 -12.882 1.00 3.48 C ATOM 114 C LEU A 9 -10.215 -1.071 -13.838 1.00 3.43 C ATOM 115 O LEU A 9 -10.567 -0.401 -14.789 1.00 4.12 O ATOM 116 CB LEU A 9 -11.507 -0.723 -11.729 1.00 3.72 C ATOM 117 CG LEU A 9 -12.938 -0.915 -11.226 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.963 -0.812 -9.700 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.838 0.169 -11.824 1.00 3.49 C ATOM 0 H LEU A 9 -10.331 -2.915 -11.387 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.163 -1.888 -13.419 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.799 -0.898 -10.919 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.362 0.305 -12.062 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.300 -1.898 -11.529 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.984 -0.949 -9.343 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.322 -1.583 -9.273 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.601 0.170 -9.396 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.859 0.033 -11.466 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.475 1.151 -11.521 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.822 0.096 -12.911 1.00 3.49 H new ATOM 131 N LEU A 10 -8.951 -1.290 -13.595 1.00 2.81 N ATOM 132 CA LEU A 10 -7.910 -0.714 -14.491 1.00 2.72 C ATOM 133 C LEU A 10 -7.164 -1.850 -15.197 1.00 2.86 C ATOM 134 O LEU A 10 -6.237 -2.420 -14.657 1.00 2.83 O ATOM 135 CB LEU A 10 -6.921 0.107 -13.655 1.00 2.41 C ATOM 136 CG LEU A 10 -6.158 1.089 -14.549 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.904 1.565 -13.815 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.740 0.406 -15.854 1.00 2.07 C ATOM 0 H LEU A 10 -8.595 -1.843 -12.815 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.380 -0.071 -15.235 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.456 0.652 -12.878 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.219 -0.558 -13.152 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.806 1.934 -14.779 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.356 2.265 -14.446 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.191 2.061 -12.888 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.269 0.709 -13.587 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.199 1.116 -16.479 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -5.096 -0.444 -15.630 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.627 0.059 -16.384 1.00 2.07 H new ATOM 150 N PRO A 11 -7.566 -2.176 -16.397 1.00 3.10 N ATOM 151 CA PRO A 11 -6.927 -3.264 -17.195 1.00 3.32 C ATOM 152 C PRO A 11 -5.427 -3.031 -17.418 1.00 2.96 C ATOM 153 O PRO A 11 -4.922 -3.199 -18.510 1.00 3.09 O ATOM 154 CB PRO A 11 -7.669 -3.235 -18.535 1.00 3.83 C ATOM 155 CG PRO A 11 -8.948 -2.509 -18.277 1.00 3.73 C ATOM 156 CD PRO A 11 -8.677 -1.545 -17.124 1.00 3.29 C ATOM 0 HA PRO A 11 -6.996 -4.221 -16.678 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.079 -2.728 -19.298 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -7.859 -4.245 -18.898 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.273 -1.968 -19.166 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.745 -3.207 -18.020 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.407 -0.553 -17.486 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.554 -1.424 -16.488 1.00 3.29 H new ATOM 164 N HIS A 12 -4.710 -2.654 -16.393 1.00 2.52 N ATOM 165 CA HIS A 12 -3.245 -2.424 -16.556 1.00 2.16 C ATOM 166 C HIS A 12 -2.492 -3.110 -15.415 1.00 1.83 C ATOM 167 O HIS A 12 -2.522 -2.667 -14.285 1.00 1.69 O ATOM 168 CB HIS A 12 -2.949 -0.922 -16.529 1.00 2.13 C ATOM 169 CG HIS A 12 -1.549 -0.676 -17.021 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.112 -1.109 -18.264 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.475 -0.040 -16.448 1.00 1.81 C ATOM 172 CE1 HIS A 12 0.173 -0.733 -18.397 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.610 -0.078 -17.319 1.00 1.82 N ATOM 0 H HIS A 12 -5.074 -2.496 -15.453 1.00 2.52 H new ATOM 0 HA HIS A 12 -2.921 -2.838 -17.511 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -3.664 -0.389 -17.155 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.062 -0.537 -15.516 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -1.665 -1.620 -18.953 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.473 0.420 -15.471 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.777 -0.936 -19.269 1.00 1.94 H new ATOM 181 N THR A 13 -1.817 -4.189 -15.702 1.00 1.82 N ATOM 182 CA THR A 13 -1.063 -4.901 -14.634 1.00 1.56 C ATOM 183 C THR A 13 0.194 -5.534 -15.233 1.00 1.39 C ATOM 184 O THR A 13 0.384 -6.733 -15.179 1.00 1.58 O ATOM 185 CB THR A 13 -1.946 -5.996 -14.029 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.130 -6.939 -13.350 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.725 -6.700 -15.143 1.00 1.97 C ATOM 0 H THR A 13 -1.755 -4.608 -16.630 1.00 1.82 H new ATOM 0 HA THR A 13 -0.778 -4.192 -13.856 1.00 1.56 H new ATOM 0 HB THR A 13 -2.648 -5.549 -13.325 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.564 -7.409 -13.998 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.353 -7.479 -14.711 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.352 -5.975 -15.663 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.026 -7.148 -15.849 1.00 1.97 H new ATOM 195 N SER A 14 1.055 -4.739 -15.806 1.00 1.20 N ATOM 196 CA SER A 14 2.297 -5.299 -16.409 1.00 1.07 C ATOM 197 C SER A 14 3.334 -4.186 -16.579 1.00 1.04 C ATOM 198 O SER A 14 3.658 -3.789 -17.681 1.00 1.10 O ATOM 199 CB SER A 14 1.972 -5.903 -17.775 1.00 1.14 C ATOM 200 OG SER A 14 3.158 -6.439 -18.346 1.00 1.96 O ATOM 0 H SER A 14 0.952 -3.727 -15.883 1.00 1.20 H new ATOM 0 HA SER A 14 2.700 -6.072 -15.754 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.220 -6.685 -17.670 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.551 -5.141 -18.431 1.00 1.14 H new ATOM 0 HG SER A 14 3.803 -5.717 -18.498 1.00 1.96 H new ATOM 206 N PHE A 15 3.863 -3.682 -15.496 1.00 1.01 N ATOM 207 CA PHE A 15 4.883 -2.601 -15.600 1.00 1.00 C ATOM 208 C PHE A 15 6.110 -3.136 -16.343 1.00 1.00 C ATOM 209 O PHE A 15 7.235 -2.828 -16.006 1.00 0.98 O ATOM 210 CB PHE A 15 5.296 -2.152 -14.196 1.00 0.98 C ATOM 211 CG PHE A 15 4.371 -1.059 -13.715 1.00 0.88 C ATOM 212 CD1 PHE A 15 3.046 -1.013 -14.166 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.838 -0.092 -12.816 1.00 1.74 C ATOM 214 CE1 PHE A 15 2.190 0.000 -13.718 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.982 0.921 -12.368 1.00 1.76 C ATOM 216 CZ PHE A 15 2.657 0.967 -12.819 1.00 0.95 C ATOM 0 H PHE A 15 3.633 -3.972 -14.546 1.00 1.01 H new ATOM 0 HA PHE A 15 4.464 -1.754 -16.143 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.262 -2.998 -13.509 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.325 -1.792 -14.207 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.685 -1.759 -14.859 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.860 -0.128 -12.468 1.00 1.74 H new ATOM 0 HE1 PHE A 15 1.168 0.036 -14.066 1.00 1.14 H new ATOM 0 HE2 PHE A 15 4.343 1.667 -11.675 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.996 1.748 -12.474 1.00 0.95 H new ATOM 226 N ALA A 16 5.901 -3.941 -17.351 1.00 1.06 N ATOM 227 CA ALA A 16 7.053 -4.500 -18.112 1.00 1.09 C ATOM 228 C ALA A 16 7.515 -3.491 -19.165 1.00 1.10 C ATOM 229 O ALA A 16 8.688 -3.382 -19.461 1.00 1.18 O ATOM 230 CB ALA A 16 6.625 -5.796 -18.804 1.00 1.14 C ATOM 0 H ALA A 16 4.981 -4.235 -17.679 1.00 1.06 H new ATOM 0 HA ALA A 16 7.873 -4.705 -17.424 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.467 -6.206 -19.361 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.299 -6.518 -18.055 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.803 -5.588 -19.489 1.00 1.14 H new ATOM 236 N GLU A 17 6.602 -2.752 -19.736 1.00 1.15 N ATOM 237 CA GLU A 17 6.991 -1.752 -20.767 1.00 1.19 C ATOM 238 C GLU A 17 6.811 -0.344 -20.200 1.00 1.29 C ATOM 239 O GLU A 17 7.737 0.257 -19.694 1.00 1.41 O ATOM 240 CB GLU A 17 6.099 -1.923 -21.997 1.00 1.32 C ATOM 241 CG GLU A 17 6.746 -2.910 -22.969 1.00 1.41 C ATOM 242 CD GLU A 17 8.085 -2.348 -23.453 1.00 1.67 C ATOM 243 OE1 GLU A 17 8.064 -1.402 -24.222 1.00 2.13 O ATOM 244 OE2 GLU A 17 9.107 -2.874 -23.045 1.00 1.96 O ATOM 0 H GLU A 17 5.604 -2.799 -19.532 1.00 1.15 H new ATOM 0 HA GLU A 17 8.034 -1.901 -21.048 1.00 1.19 H new ATOM 0 HB2 GLU A 17 5.115 -2.285 -21.697 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.949 -0.961 -22.486 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.899 -3.872 -22.479 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.086 -3.086 -23.818 1.00 1.41 H new ATOM 251 N SER A 18 5.622 0.186 -20.276 1.00 1.41 N ATOM 252 CA SER A 18 5.380 1.552 -19.736 1.00 1.64 C ATOM 253 C SER A 18 4.660 1.442 -18.393 1.00 1.51 C ATOM 254 O SER A 18 3.820 0.587 -18.199 1.00 1.30 O ATOM 255 CB SER A 18 4.511 2.342 -20.713 1.00 2.02 C ATOM 256 OG SER A 18 3.488 1.497 -21.220 1.00 2.26 O ATOM 0 H SER A 18 4.807 -0.268 -20.689 1.00 1.41 H new ATOM 0 HA SER A 18 6.332 2.065 -19.602 1.00 1.64 H new ATOM 0 HB2 SER A 18 4.071 3.204 -20.211 1.00 2.02 H new ATOM 0 HB3 SER A 18 5.120 2.726 -21.531 1.00 2.02 H new ATOM 0 HG SER A 18 2.927 2.001 -21.846 1.00 2.26 H new ATOM 262 N LEU A 19 4.981 2.295 -17.460 1.00 1.67 N ATOM 263 CA LEU A 19 4.306 2.221 -16.134 1.00 1.59 C ATOM 264 C LEU A 19 2.808 2.483 -16.308 1.00 1.72 C ATOM 265 O LEU A 19 2.063 2.569 -15.353 1.00 2.45 O ATOM 266 CB LEU A 19 4.941 3.230 -15.165 1.00 1.61 C ATOM 267 CG LEU A 19 4.502 4.670 -15.469 1.00 1.71 C ATOM 268 CD1 LEU A 19 4.540 4.942 -16.977 1.00 2.60 C ATOM 269 CD2 LEU A 19 3.090 4.915 -14.930 1.00 1.37 C ATOM 0 H LEU A 19 5.676 3.035 -17.557 1.00 1.67 H new ATOM 0 HA LEU A 19 4.433 1.225 -15.711 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.664 2.974 -14.142 1.00 1.61 H new ATOM 0 HB3 LEU A 19 6.027 3.160 -15.229 1.00 1.61 H new ATOM 0 HG LEU A 19 5.196 5.351 -14.977 1.00 1.71 H new ATOM 0 HD11 LEU A 19 4.225 5.968 -17.170 1.00 2.60 H new ATOM 0 HD12 LEU A 19 5.555 4.798 -17.347 1.00 2.60 H new ATOM 0 HD13 LEU A 19 3.867 4.254 -17.488 1.00 2.60 H new ATOM 0 HD21 LEU A 19 2.789 5.939 -15.151 1.00 1.37 H new ATOM 0 HD22 LEU A 19 2.395 4.222 -15.403 1.00 1.37 H new ATOM 0 HD23 LEU A 19 3.080 4.759 -13.851 1.00 1.37 H new ATOM 281 N GLY A 20 2.361 2.591 -17.533 1.00 1.44 N ATOM 282 CA GLY A 20 0.911 2.828 -17.792 1.00 1.58 C ATOM 283 C GLY A 20 0.541 4.272 -17.444 1.00 1.59 C ATOM 284 O GLY A 20 1.341 5.177 -17.569 1.00 1.62 O ATOM 0 H GLY A 20 2.942 2.525 -18.369 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.684 2.629 -18.839 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.311 2.138 -17.199 1.00 1.58 H new ATOM 288 N PRO A 21 -0.674 4.477 -17.010 1.00 1.60 N ATOM 289 CA PRO A 21 -1.186 5.817 -16.623 1.00 1.60 C ATOM 290 C PRO A 21 -0.921 6.128 -15.147 1.00 1.43 C ATOM 291 O PRO A 21 -1.097 7.241 -14.693 1.00 1.67 O ATOM 292 CB PRO A 21 -2.686 5.687 -16.877 1.00 1.68 C ATOM 293 CG PRO A 21 -3.003 4.245 -16.634 1.00 1.70 C ATOM 294 CD PRO A 21 -1.710 3.447 -16.851 1.00 1.63 C ATOM 0 HA PRO A 21 -0.707 6.625 -17.176 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.256 6.333 -16.209 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -2.939 5.979 -17.896 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.378 4.100 -15.621 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -3.783 3.904 -17.314 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.497 2.795 -16.004 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -1.778 2.811 -17.733 1.00 1.63 H new ATOM 302 N TRP A 22 -0.502 5.146 -14.393 1.00 1.30 N ATOM 303 CA TRP A 22 -0.229 5.376 -12.946 1.00 1.15 C ATOM 304 C TRP A 22 0.762 6.528 -12.784 1.00 1.24 C ATOM 305 O TRP A 22 1.080 7.227 -13.726 1.00 1.48 O ATOM 306 CB TRP A 22 0.367 4.107 -12.333 1.00 1.19 C ATOM 307 CG TRP A 22 -0.723 3.128 -12.036 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.730 2.805 -12.879 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.930 2.338 -10.829 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.541 1.865 -12.267 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.090 1.545 -11.002 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.231 2.235 -9.615 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.539 0.680 -10.003 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.680 1.366 -8.607 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.831 0.590 -8.801 1.00 2.39 C ATOM 0 H TRP A 22 -0.337 4.193 -14.718 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.161 5.627 -12.440 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.088 3.665 -13.020 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.907 4.353 -11.418 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.877 3.214 -13.868 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.371 1.458 -12.698 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.658 2.828 -9.456 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.427 0.085 -10.157 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.135 1.295 -7.677 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.171 -0.077 -8.022 1.00 2.39 H new ATOM 326 N SER A 23 1.258 6.729 -11.593 1.00 1.20 N ATOM 327 CA SER A 23 2.234 7.831 -11.364 1.00 1.36 C ATOM 328 C SER A 23 3.471 7.271 -10.659 1.00 1.28 C ATOM 329 O SER A 23 3.461 6.167 -10.151 1.00 1.33 O ATOM 330 CB SER A 23 1.591 8.908 -10.488 1.00 1.45 C ATOM 331 OG SER A 23 0.890 9.828 -11.315 1.00 1.64 O ATOM 0 H SER A 23 1.028 6.176 -10.767 1.00 1.20 H new ATOM 0 HA SER A 23 2.524 8.268 -12.320 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.908 8.451 -9.772 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.356 9.429 -9.911 1.00 1.45 H new ATOM 0 HG SER A 23 0.475 10.519 -10.757 1.00 1.64 H new ATOM 337 N LEU A 24 4.538 8.022 -10.624 1.00 1.31 N ATOM 338 CA LEU A 24 5.773 7.528 -9.951 1.00 1.25 C ATOM 339 C LEU A 24 6.792 8.663 -9.843 1.00 1.30 C ATOM 340 O LEU A 24 6.757 9.617 -10.594 1.00 1.47 O ATOM 341 CB LEU A 24 6.366 6.356 -10.745 1.00 1.40 C ATOM 342 CG LEU A 24 6.864 6.817 -12.121 1.00 1.44 C ATOM 343 CD1 LEU A 24 5.813 7.698 -12.802 1.00 2.02 C ATOM 344 CD2 LEU A 24 8.167 7.604 -11.969 1.00 2.05 C ATOM 0 H LEU A 24 4.608 8.954 -11.031 1.00 1.31 H new ATOM 0 HA LEU A 24 5.523 7.182 -8.948 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.191 5.914 -10.186 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.612 5.579 -10.869 1.00 1.40 H new ATOM 0 HG LEU A 24 7.042 5.935 -12.737 1.00 1.44 H new ATOM 0 HD11 LEU A 24 6.182 8.017 -13.777 1.00 2.02 H new ATOM 0 HD12 LEU A 24 4.891 7.131 -12.930 1.00 2.02 H new ATOM 0 HD13 LEU A 24 5.617 8.574 -12.184 1.00 2.02 H new ATOM 0 HD21 LEU A 24 8.513 7.927 -12.951 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.994 8.477 -11.340 1.00 2.05 H new ATOM 0 HD23 LEU A 24 8.924 6.969 -11.508 1.00 2.05 H new ATOM 356 N TYR A 25 7.696 8.572 -8.905 1.00 1.23 N ATOM 357 CA TYR A 25 8.717 9.648 -8.741 1.00 1.38 C ATOM 358 C TYR A 25 9.285 9.612 -7.319 1.00 1.34 C ATOM 359 O TYR A 25 8.905 8.791 -6.508 1.00 1.42 O ATOM 360 CB TYR A 25 8.076 11.016 -8.992 1.00 1.72 C ATOM 361 CG TYR A 25 6.622 11.004 -8.570 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.189 10.164 -7.534 1.00 1.22 C ATOM 363 CD2 TYR A 25 5.704 11.837 -9.222 1.00 1.62 C ATOM 364 CE1 TYR A 25 4.842 10.160 -7.152 1.00 1.27 C ATOM 365 CE2 TYR A 25 4.358 11.831 -8.839 1.00 1.57 C ATOM 366 CZ TYR A 25 3.926 10.994 -7.804 1.00 1.08 C ATOM 367 OH TYR A 25 2.599 10.989 -7.428 1.00 1.63 O ATOM 0 H TYR A 25 7.772 7.799 -8.244 1.00 1.23 H new ATOM 0 HA TYR A 25 9.520 9.485 -9.459 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.615 11.784 -8.438 1.00 1.72 H new ATOM 0 HB3 TYR A 25 8.152 11.272 -10.049 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.895 9.520 -7.031 1.00 1.22 H new ATOM 0 HD2 TYR A 25 6.035 12.484 -10.021 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.509 9.513 -6.354 1.00 1.27 H new ATOM 0 HE2 TYR A 25 3.651 12.474 -9.343 1.00 1.57 H new ATOM 0 HH TYR A 25 2.100 11.626 -7.981 1.00 1.63 H new ATOM 377 N GLY A 26 10.182 10.508 -7.009 1.00 1.33 N ATOM 378 CA GLY A 26 10.761 10.538 -5.635 1.00 1.32 C ATOM 379 C GLY A 26 12.002 9.645 -5.559 1.00 1.25 C ATOM 380 O GLY A 26 12.897 9.884 -4.774 1.00 1.70 O ATOM 0 H GLY A 26 10.539 11.220 -7.647 1.00 1.33 H new ATOM 0 HA2 GLY A 26 11.024 11.561 -5.367 1.00 1.32 H new ATOM 0 HA3 GLY A 26 10.018 10.201 -4.913 1.00 1.32 H new ATOM 384 N THR A 27 12.068 8.614 -6.358 1.00 0.93 N ATOM 385 CA THR A 27 13.260 7.720 -6.306 1.00 0.90 C ATOM 386 C THR A 27 14.094 7.901 -7.576 1.00 0.92 C ATOM 387 O THR A 27 14.239 8.993 -8.089 1.00 0.97 O ATOM 388 CB THR A 27 12.793 6.262 -6.186 1.00 0.88 C ATOM 389 OG1 THR A 27 13.710 5.391 -6.832 1.00 0.73 O ATOM 390 CG2 THR A 27 11.410 6.111 -6.821 1.00 0.95 C ATOM 0 H THR A 27 11.355 8.354 -7.039 1.00 0.93 H new ATOM 0 HA THR A 27 13.874 7.974 -5.442 1.00 0.90 H new ATOM 0 HB THR A 27 12.742 5.998 -5.130 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.576 5.431 -6.376 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.081 5.075 -6.734 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.701 6.761 -6.308 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.461 6.389 -7.874 1.00 0.95 H new ATOM 398 N SER A 28 14.640 6.835 -8.083 1.00 1.12 N ATOM 399 CA SER A 28 15.464 6.925 -9.320 1.00 1.40 C ATOM 400 C SER A 28 14.572 6.708 -10.542 1.00 1.29 C ATOM 401 O SER A 28 13.778 5.789 -10.585 1.00 0.98 O ATOM 402 CB SER A 28 16.554 5.852 -9.286 1.00 1.80 C ATOM 403 OG SER A 28 15.968 4.599 -8.962 1.00 1.73 O ATOM 0 H SER A 28 14.551 5.897 -7.692 1.00 1.12 H new ATOM 0 HA SER A 28 15.927 7.910 -9.378 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.054 5.794 -10.253 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.314 6.112 -8.550 1.00 1.80 H new ATOM 0 HG SER A 28 15.068 4.549 -9.347 1.00 1.73 H new ATOM 409 N GLU A 29 14.696 7.541 -11.538 1.00 1.62 N ATOM 410 CA GLU A 29 13.855 7.369 -12.754 1.00 1.60 C ATOM 411 C GLU A 29 13.682 5.874 -13.040 1.00 1.23 C ATOM 412 O GLU A 29 14.570 5.237 -13.572 1.00 1.37 O ATOM 413 CB GLU A 29 14.544 8.038 -13.946 1.00 2.07 C ATOM 414 CG GLU A 29 13.872 9.381 -14.237 1.00 1.86 C ATOM 415 CD GLU A 29 13.653 10.138 -12.925 1.00 1.99 C ATOM 416 OE1 GLU A 29 14.538 10.096 -12.085 1.00 2.40 O ATOM 417 OE2 GLU A 29 12.605 10.747 -12.783 1.00 2.35 O ATOM 0 H GLU A 29 15.341 8.331 -11.562 1.00 1.62 H new ATOM 0 HA GLU A 29 12.879 7.827 -12.593 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.602 8.188 -13.731 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.485 7.393 -14.822 1.00 2.07 H new ATOM 0 HG2 GLU A 29 14.493 9.972 -14.911 1.00 1.86 H new ATOM 0 HG3 GLU A 29 12.918 9.221 -14.740 1.00 1.86 H new ATOM 424 N PRO A 30 12.554 5.313 -12.689 1.00 0.95 N ATOM 425 CA PRO A 30 12.279 3.867 -12.915 1.00 0.81 C ATOM 426 C PRO A 30 12.659 3.433 -14.334 1.00 0.80 C ATOM 427 O PRO A 30 12.619 4.218 -15.260 1.00 0.86 O ATOM 428 CB PRO A 30 10.770 3.742 -12.705 1.00 0.94 C ATOM 429 CG PRO A 30 10.392 4.879 -11.814 1.00 1.13 C ATOM 430 CD PRO A 30 11.417 5.993 -12.046 1.00 1.10 C ATOM 0 HA PRO A 30 12.860 3.232 -12.247 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.237 3.794 -13.654 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.516 2.785 -12.249 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.385 5.229 -12.042 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.392 4.567 -10.770 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.012 6.780 -12.683 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.713 6.463 -11.108 1.00 1.10 H new ATOM 438 N VAL A 31 13.035 2.198 -14.514 1.00 0.80 N ATOM 439 CA VAL A 31 13.421 1.741 -15.879 1.00 0.82 C ATOM 440 C VAL A 31 12.815 0.366 -16.167 1.00 0.78 C ATOM 441 O VAL A 31 13.121 -0.607 -15.506 1.00 0.84 O ATOM 442 CB VAL A 31 14.946 1.652 -15.973 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.334 0.786 -17.172 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.527 3.056 -16.148 1.00 1.05 C ATOM 0 H VAL A 31 13.092 1.490 -13.782 1.00 0.80 H new ATOM 0 HA VAL A 31 13.046 2.456 -16.611 1.00 0.82 H new ATOM 0 HB VAL A 31 15.341 1.205 -15.061 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.420 0.723 -17.239 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.919 -0.214 -17.048 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.940 1.231 -18.085 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.613 2.995 -16.215 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.132 3.502 -17.061 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.251 3.673 -15.293 1.00 1.05 H new ATOM 454 N PHE A 32 11.967 0.280 -17.159 1.00 0.74 N ATOM 455 CA PHE A 32 11.348 -1.030 -17.510 1.00 0.77 C ATOM 456 C PHE A 32 12.316 -1.846 -18.368 1.00 0.87 C ATOM 457 O PHE A 32 12.304 -1.776 -19.580 1.00 1.19 O ATOM 458 CB PHE A 32 10.035 -0.800 -18.265 1.00 0.78 C ATOM 459 CG PHE A 32 10.077 0.523 -18.995 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.736 0.637 -20.225 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.440 1.638 -18.436 1.00 1.63 C ATOM 462 CE1 PHE A 32 10.760 1.868 -20.893 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.463 2.867 -19.105 1.00 1.82 C ATOM 464 CZ PHE A 32 10.125 2.983 -20.333 1.00 1.56 C ATOM 0 H PHE A 32 11.676 1.065 -17.742 1.00 0.74 H new ATOM 0 HA PHE A 32 11.135 -1.583 -16.596 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.869 -1.610 -18.975 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.198 -0.812 -17.566 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.225 -0.223 -20.658 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.931 1.549 -17.488 1.00 1.63 H new ATOM 0 HE1 PHE A 32 11.269 1.957 -21.841 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.970 3.726 -18.674 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.146 3.932 -20.848 1.00 1.56 H new ATOM 474 N ALA A 33 13.157 -2.622 -17.742 1.00 0.77 N ATOM 475 CA ALA A 33 14.130 -3.445 -18.514 1.00 0.84 C ATOM 476 C ALA A 33 13.372 -4.458 -19.375 1.00 0.67 C ATOM 477 O ALA A 33 12.347 -4.153 -19.952 1.00 0.92 O ATOM 478 CB ALA A 33 15.050 -4.189 -17.545 1.00 1.17 C ATOM 0 H ALA A 33 13.213 -2.722 -16.728 1.00 0.77 H new ATOM 0 HA ALA A 33 14.726 -2.796 -19.156 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.762 -4.791 -18.109 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.590 -3.469 -16.931 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.454 -4.838 -16.903 1.00 1.17 H new ATOM 484 N ASP A 34 13.869 -5.661 -19.468 1.00 0.77 N ATOM 485 CA ASP A 34 13.177 -6.692 -20.292 1.00 0.85 C ATOM 486 C ASP A 34 11.665 -6.574 -20.095 1.00 0.84 C ATOM 487 O ASP A 34 10.959 -6.052 -20.934 1.00 0.99 O ATOM 488 CB ASP A 34 13.642 -8.085 -19.862 1.00 1.13 C ATOM 489 CG ASP A 34 13.972 -8.074 -18.368 1.00 1.54 C ATOM 490 OD1 ASP A 34 14.904 -7.382 -17.993 1.00 1.78 O ATOM 491 OD2 ASP A 34 13.287 -8.758 -17.625 1.00 2.21 O ATOM 0 H ASP A 34 14.724 -5.974 -19.009 1.00 0.77 H new ATOM 0 HA ASP A 34 13.418 -6.538 -21.344 1.00 0.85 H new ATOM 0 HB2 ASP A 34 12.864 -8.820 -20.068 1.00 1.13 H new ATOM 0 HB3 ASP A 34 14.520 -8.381 -20.437 1.00 1.13 H new ATOM 496 N GLY A 35 11.162 -7.056 -18.990 1.00 0.84 N ATOM 497 CA GLY A 35 9.695 -6.972 -18.742 1.00 1.02 C ATOM 498 C GLY A 35 9.443 -6.602 -17.279 1.00 0.90 C ATOM 499 O GLY A 35 8.498 -7.058 -16.668 1.00 1.19 O ATOM 0 H GLY A 35 11.703 -7.503 -18.250 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.247 -6.226 -19.399 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.221 -7.926 -18.973 1.00 1.02 H new ATOM 503 N ARG A 36 10.282 -5.777 -16.713 1.00 0.66 N ATOM 504 CA ARG A 36 10.088 -5.380 -15.290 1.00 0.63 C ATOM 505 C ARG A 36 10.683 -3.990 -15.062 1.00 0.62 C ATOM 506 O ARG A 36 11.614 -3.586 -15.730 1.00 0.68 O ATOM 507 CB ARG A 36 10.790 -6.385 -14.375 1.00 0.70 C ATOM 508 CG ARG A 36 11.995 -6.984 -15.102 1.00 1.16 C ATOM 509 CD ARG A 36 12.903 -7.691 -14.094 1.00 1.40 C ATOM 510 NE ARG A 36 12.925 -9.152 -14.386 1.00 2.02 N ATOM 511 CZ ARG A 36 13.848 -9.909 -13.859 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.752 -9.387 -13.076 1.00 2.28 N ATOM 513 NH2 ARG A 36 13.867 -11.189 -14.114 1.00 2.91 N ATOM 0 H ARG A 36 11.092 -5.362 -17.174 1.00 0.66 H new ATOM 0 HA ARG A 36 9.022 -5.364 -15.064 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.113 -5.893 -13.458 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.097 -7.175 -14.086 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.660 -7.690 -15.862 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.549 -6.199 -15.617 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.912 -7.283 -14.149 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.543 -7.517 -13.080 1.00 1.40 H new ATOM 0 HE ARG A 36 12.218 -9.560 -14.998 1.00 2.02 H new ATOM 0 HH11 ARG A 36 14.737 -8.387 -12.876 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.473 -9.979 -12.664 1.00 2.28 H new ATOM 0 HH21 ARG A 36 13.160 -11.598 -14.725 1.00 2.91 H new ATOM 0 HH22 ARG A 36 14.589 -11.780 -13.702 1.00 2.91 H new ATOM 527 N MET A 37 10.159 -3.259 -14.118 1.00 0.63 N ATOM 528 CA MET A 37 10.700 -1.899 -13.845 1.00 0.67 C ATOM 529 C MET A 37 11.219 -1.841 -12.411 1.00 0.68 C ATOM 530 O MET A 37 10.575 -2.301 -11.489 1.00 0.67 O ATOM 531 CB MET A 37 9.597 -0.855 -14.038 1.00 0.71 C ATOM 532 CG MET A 37 10.011 0.455 -13.365 1.00 0.75 C ATOM 533 SD MET A 37 9.299 0.531 -11.704 1.00 0.88 S ATOM 534 CE MET A 37 7.909 1.619 -12.102 1.00 0.93 C ATOM 0 H MET A 37 9.380 -3.544 -13.524 1.00 0.63 H new ATOM 0 HA MET A 37 11.516 -1.687 -14.536 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.420 -0.690 -15.101 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.661 -1.216 -13.611 1.00 0.71 H new ATOM 0 HG2 MET A 37 11.098 0.520 -13.310 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.670 1.304 -13.957 1.00 0.75 H new ATOM 0 HE1 MET A 37 7.091 1.434 -11.405 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.226 2.659 -12.022 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.571 1.420 -13.119 1.00 0.93 H new ATOM 544 N CYS A 38 12.383 -1.288 -12.214 1.00 0.73 N ATOM 545 CA CYS A 38 12.933 -1.219 -10.833 1.00 0.78 C ATOM 546 C CYS A 38 13.366 0.208 -10.501 1.00 0.89 C ATOM 547 O CYS A 38 13.695 0.993 -11.369 1.00 0.88 O ATOM 548 CB CYS A 38 14.136 -2.157 -10.712 1.00 0.79 C ATOM 549 SG CYS A 38 14.022 -3.091 -9.165 1.00 1.06 S ATOM 0 H CYS A 38 12.972 -0.884 -12.942 1.00 0.73 H new ATOM 0 HA CYS A 38 12.156 -1.524 -10.132 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.164 -2.841 -11.560 1.00 0.79 H new ATOM 0 HB3 CYS A 38 15.062 -1.583 -10.735 1.00 0.79 H new ATOM 554 N VAL A 39 13.371 0.538 -9.238 1.00 1.04 N ATOM 555 CA VAL A 39 13.787 1.903 -8.813 1.00 1.18 C ATOM 556 C VAL A 39 14.937 1.774 -7.812 1.00 1.37 C ATOM 557 O VAL A 39 14.888 0.968 -6.901 1.00 1.26 O ATOM 558 CB VAL A 39 12.609 2.613 -8.146 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.664 3.156 -9.218 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.853 1.621 -7.258 1.00 1.26 C ATOM 0 H VAL A 39 13.102 -0.086 -8.477 1.00 1.04 H new ATOM 0 HA VAL A 39 14.108 2.481 -9.680 1.00 1.18 H new ATOM 0 HB VAL A 39 12.981 3.438 -7.538 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.825 3.662 -8.741 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.200 3.862 -9.852 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.292 2.332 -9.827 1.00 1.26 H new ATOM 0 HG21 VAL A 39 11.013 2.126 -6.782 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.483 0.796 -7.867 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.525 1.233 -6.492 1.00 1.26 H new ATOM 570 N ASP A 40 15.971 2.551 -7.974 1.00 1.71 N ATOM 571 CA ASP A 40 17.124 2.463 -7.034 1.00 1.97 C ATOM 572 C ASP A 40 16.758 3.121 -5.702 1.00 1.61 C ATOM 573 O ASP A 40 16.699 4.330 -5.592 1.00 2.31 O ATOM 574 CB ASP A 40 18.331 3.181 -7.641 1.00 3.21 C ATOM 575 CG ASP A 40 18.283 3.061 -9.166 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.761 2.069 -9.647 1.00 4.39 O ATOM 577 OD2 ASP A 40 18.769 3.964 -9.827 1.00 4.79 O ATOM 0 H ASP A 40 16.068 3.243 -8.717 1.00 1.71 H new ATOM 0 HA ASP A 40 17.369 1.415 -6.862 1.00 1.97 H new ATOM 0 HB2 ASP A 40 18.328 4.231 -7.348 1.00 3.21 H new ATOM 0 HB3 ASP A 40 19.255 2.746 -7.260 1.00 3.21 H new ATOM 582 N LEU A 41 16.519 2.336 -4.687 1.00 1.25 N ATOM 583 CA LEU A 41 16.165 2.918 -3.362 1.00 1.86 C ATOM 584 C LEU A 41 17.231 2.525 -2.335 1.00 1.67 C ATOM 585 O LEU A 41 17.011 1.671 -1.499 1.00 1.20 O ATOM 586 CB LEU A 41 14.804 2.383 -2.908 1.00 2.45 C ATOM 587 CG LEU A 41 13.693 3.290 -3.438 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.850 4.692 -2.846 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.782 3.368 -4.963 1.00 3.54 C ATOM 0 H LEU A 41 16.554 1.317 -4.718 1.00 1.25 H new ATOM 0 HA LEU A 41 16.116 4.004 -3.447 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.662 1.366 -3.273 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.764 2.340 -1.820 1.00 2.45 H new ATOM 0 HG LEU A 41 12.724 2.882 -3.150 1.00 2.88 H new ATOM 0 HD11 LEU A 41 13.058 5.338 -3.225 1.00 2.65 H new ATOM 0 HD12 LEU A 41 13.786 4.637 -1.759 1.00 2.65 H new ATOM 0 HD13 LEU A 41 14.819 5.101 -3.132 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.990 4.015 -5.341 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.751 3.775 -5.251 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.668 2.370 -5.386 1.00 3.54 H new ATOM 601 N PRO A 42 18.377 3.145 -2.404 1.00 2.30 N ATOM 602 CA PRO A 42 19.503 2.865 -1.470 1.00 2.32 C ATOM 603 C PRO A 42 19.283 3.497 -0.093 1.00 1.85 C ATOM 604 O PRO A 42 19.294 2.825 0.919 1.00 2.18 O ATOM 605 CB PRO A 42 20.710 3.500 -2.162 1.00 3.11 C ATOM 606 CG PRO A 42 20.150 4.600 -3.002 1.00 3.74 C ATOM 607 CD PRO A 42 18.726 4.187 -3.383 1.00 3.24 C ATOM 0 HA PRO A 42 19.619 1.798 -1.281 1.00 2.32 H new ATOM 0 HB2 PRO A 42 21.423 3.886 -1.433 1.00 3.11 H new ATOM 0 HB3 PRO A 42 21.242 2.771 -2.773 1.00 3.11 H new ATOM 0 HG2 PRO A 42 20.145 5.541 -2.453 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.759 4.754 -3.893 1.00 3.74 H new ATOM 0 HD2 PRO A 42 18.039 5.031 -3.328 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.682 3.806 -4.403 1.00 3.24 H new ATOM 615 N GLY A 43 19.081 4.786 -0.049 1.00 1.69 N ATOM 616 CA GLY A 43 18.859 5.461 1.260 1.00 1.65 C ATOM 617 C GLY A 43 19.108 6.963 1.110 1.00 1.62 C ATOM 618 O GLY A 43 18.916 7.531 0.053 1.00 2.03 O ATOM 0 H GLY A 43 19.060 5.400 -0.863 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.840 5.283 1.604 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.527 5.045 2.014 1.00 1.65 H new ATOM 622 N GLY A 44 19.534 7.611 2.159 1.00 1.61 N ATOM 623 CA GLY A 44 19.795 9.076 2.075 1.00 2.13 C ATOM 624 C GLY A 44 18.477 9.817 1.839 1.00 2.06 C ATOM 625 O GLY A 44 18.443 11.027 1.740 1.00 2.41 O ATOM 0 H GLY A 44 19.713 7.190 3.071 1.00 1.61 H new ATOM 0 HA2 GLY A 44 20.262 9.426 2.996 1.00 2.13 H new ATOM 0 HA3 GLY A 44 20.493 9.286 1.264 1.00 2.13 H new ATOM 629 N GLN A 45 17.391 9.099 1.745 1.00 1.86 N ATOM 630 CA GLN A 45 16.079 9.755 1.510 1.00 1.96 C ATOM 631 C GLN A 45 15.326 9.883 2.836 1.00 1.90 C ATOM 632 O GLN A 45 14.375 9.172 3.092 1.00 1.92 O ATOM 633 CB GLN A 45 15.266 8.895 0.545 1.00 2.10 C ATOM 634 CG GLN A 45 16.214 8.140 -0.390 1.00 2.29 C ATOM 635 CD GLN A 45 15.497 7.834 -1.706 1.00 2.34 C ATOM 636 OE1 GLN A 45 14.386 8.276 -1.923 1.00 2.96 O ATOM 637 NE2 GLN A 45 16.089 7.090 -2.599 1.00 2.07 N ATOM 0 H GLN A 45 17.359 8.082 1.822 1.00 1.86 H new ATOM 0 HA GLN A 45 16.231 10.748 1.087 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.649 8.190 1.102 1.00 2.10 H new ATOM 0 HB3 GLN A 45 14.589 9.522 -0.035 1.00 2.10 H new ATOM 0 HG2 GLN A 45 17.106 8.737 -0.580 1.00 2.29 H new ATOM 0 HG3 GLN A 45 16.544 7.214 0.080 1.00 2.29 H new ATOM 0 HE21 GLN A 45 17.022 6.719 -2.417 1.00 2.07 H new ATOM 0 HE22 GLN A 45 15.619 6.879 -3.480 1.00 2.07 H new ATOM 646 N GLY A 46 15.745 10.784 3.682 1.00 2.04 N ATOM 647 CA GLY A 46 15.052 10.956 4.991 1.00 2.08 C ATOM 648 C GLY A 46 13.608 11.398 4.747 1.00 2.01 C ATOM 649 O GLY A 46 13.135 12.356 5.327 1.00 2.08 O ATOM 0 H GLY A 46 16.536 11.408 3.524 1.00 2.04 H new ATOM 0 HA2 GLY A 46 15.068 10.020 5.549 1.00 2.08 H new ATOM 0 HA3 GLY A 46 15.574 11.697 5.597 1.00 2.08 H new ATOM 653 N ASN A 47 12.905 10.709 3.891 1.00 2.09 N ATOM 654 CA ASN A 47 11.492 11.090 3.609 1.00 2.14 C ATOM 655 C ASN A 47 10.761 9.903 2.978 1.00 1.80 C ATOM 656 O ASN A 47 10.698 9.771 1.771 1.00 1.63 O ATOM 657 CB ASN A 47 11.469 12.276 2.643 1.00 2.60 C ATOM 658 CG ASN A 47 12.689 12.209 1.723 1.00 2.84 C ATOM 659 OD1 ASN A 47 13.095 11.142 1.309 1.00 2.65 O ATOM 660 ND2 ASN A 47 13.297 13.313 1.383 1.00 3.61 N ATOM 0 H ASN A 47 13.248 9.899 3.375 1.00 2.09 H new ATOM 0 HA ASN A 47 10.997 11.369 4.539 1.00 2.14 H new ATOM 0 HB2 ASN A 47 10.553 12.259 2.052 1.00 2.60 H new ATOM 0 HB3 ASN A 47 11.472 13.213 3.200 1.00 2.60 H new ATOM 0 HD21 ASN A 47 14.112 13.279 0.770 1.00 3.61 H new ATOM 0 HD22 ASN A 47 12.957 14.210 1.730 1.00 3.61 H new ATOM 667 N PRO A 48 10.214 9.046 3.795 1.00 1.85 N ATOM 668 CA PRO A 48 9.470 7.842 3.327 1.00 1.74 C ATOM 669 C PRO A 48 8.427 8.181 2.259 1.00 1.36 C ATOM 670 O PRO A 48 7.855 7.308 1.637 1.00 1.19 O ATOM 671 CB PRO A 48 8.787 7.317 4.592 1.00 2.19 C ATOM 672 CG PRO A 48 9.608 7.826 5.730 1.00 2.36 C ATOM 673 CD PRO A 48 10.246 9.136 5.263 1.00 2.21 C ATOM 0 HA PRO A 48 10.135 7.116 2.859 1.00 1.74 H new ATOM 0 HB2 PRO A 48 7.759 7.673 4.660 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.747 6.228 4.593 1.00 2.19 H new ATOM 0 HG2 PRO A 48 8.988 7.991 6.611 1.00 2.36 H new ATOM 0 HG3 PRO A 48 10.373 7.101 6.009 1.00 2.36 H new ATOM 0 HD2 PRO A 48 9.689 10.001 5.622 1.00 2.21 H new ATOM 0 HD3 PRO A 48 11.266 9.238 5.634 1.00 2.21 H new ATOM 681 N TRP A 49 8.175 9.443 2.039 1.00 1.49 N ATOM 682 CA TRP A 49 7.170 9.830 1.010 1.00 1.39 C ATOM 683 C TRP A 49 7.874 10.522 -0.158 1.00 1.17 C ATOM 684 O TRP A 49 7.320 11.388 -0.806 1.00 1.45 O ATOM 685 CB TRP A 49 6.144 10.782 1.628 1.00 1.79 C ATOM 686 CG TRP A 49 6.789 11.575 2.720 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.559 11.406 4.042 1.00 1.69 C ATOM 688 CD2 TRP A 49 7.761 12.654 2.608 1.00 2.46 C ATOM 689 NE1 TRP A 49 7.328 12.313 4.748 1.00 1.97 N ATOM 690 CE2 TRP A 49 8.086 13.105 3.910 1.00 2.36 C ATOM 691 CE3 TRP A 49 8.387 13.279 1.515 1.00 3.27 C ATOM 692 CZ2 TRP A 49 8.999 14.140 4.118 1.00 2.90 C ATOM 693 CZ3 TRP A 49 9.305 14.319 1.721 1.00 3.87 C ATOM 694 CH2 TRP A 49 9.611 14.751 3.019 1.00 3.62 C ATOM 0 H TRP A 49 8.621 10.220 2.526 1.00 1.49 H new ATOM 0 HA TRP A 49 6.661 8.937 0.647 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.748 11.451 0.864 1.00 1.79 H new ATOM 0 HB3 TRP A 49 5.301 10.216 2.025 1.00 1.79 H new ATOM 0 HD1 TRP A 49 5.885 10.682 4.475 1.00 1.69 H new ATOM 0 HE1 TRP A 49 7.334 12.388 5.765 1.00 1.97 H new ATOM 0 HE3 TRP A 49 8.159 12.956 0.510 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 9.231 14.467 5.121 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 9.780 14.791 0.873 1.00 3.87 H new ATOM 0 HH2 TRP A 49 10.318 15.554 3.170 1.00 3.62 H new ATOM 705 N ASP A 50 9.094 10.146 -0.433 1.00 1.07 N ATOM 706 CA ASP A 50 9.834 10.779 -1.560 1.00 1.36 C ATOM 707 C ASP A 50 10.279 9.697 -2.546 1.00 1.21 C ATOM 708 O ASP A 50 11.349 9.766 -3.117 1.00 1.27 O ATOM 709 CB ASP A 50 11.063 11.512 -1.019 1.00 1.73 C ATOM 710 CG ASP A 50 10.682 12.943 -0.634 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.638 13.396 -1.073 1.00 2.38 O ATOM 712 OD2 ASP A 50 11.442 13.562 0.092 1.00 2.14 O ATOM 0 H ASP A 50 9.610 9.427 0.075 1.00 1.07 H new ATOM 0 HA ASP A 50 9.183 11.491 -2.068 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.460 10.985 -0.151 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.851 11.525 -1.772 1.00 1.73 H new ATOM 717 N ALA A 51 9.466 8.697 -2.749 1.00 1.09 N ATOM 718 CA ALA A 51 9.844 7.610 -3.696 1.00 1.02 C ATOM 719 C ALA A 51 8.777 6.515 -3.664 1.00 0.89 C ATOM 720 O ALA A 51 8.530 5.906 -2.642 1.00 0.87 O ATOM 721 CB ALA A 51 11.193 7.019 -3.280 1.00 1.11 C ATOM 0 H ALA A 51 8.557 8.586 -2.300 1.00 1.09 H new ATOM 0 HA ALA A 51 9.920 8.015 -4.705 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.471 6.224 -3.972 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.954 7.799 -3.300 1.00 1.11 H new ATOM 0 HB3 ALA A 51 11.117 6.612 -2.272 1.00 1.11 H new ATOM 727 N GLY A 52 8.140 6.257 -4.774 1.00 0.86 N ATOM 728 CA GLY A 52 7.091 5.199 -4.796 1.00 0.86 C ATOM 729 C GLY A 52 6.159 5.415 -5.990 1.00 0.87 C ATOM 730 O GLY A 52 6.543 5.976 -6.997 1.00 0.94 O ATOM 0 H GLY A 52 8.300 6.731 -5.663 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.556 4.215 -4.860 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.519 5.222 -3.868 1.00 0.86 H new ATOM 734 N LEU A 53 4.933 4.974 -5.883 1.00 0.83 N ATOM 735 CA LEU A 53 3.976 5.155 -7.011 1.00 0.84 C ATOM 736 C LEU A 53 2.576 5.421 -6.451 1.00 0.79 C ATOM 737 O LEU A 53 2.341 5.302 -5.264 1.00 0.78 O ATOM 738 CB LEU A 53 3.994 3.905 -7.905 1.00 0.85 C ATOM 739 CG LEU A 53 2.766 3.019 -7.669 1.00 0.90 C ATOM 740 CD1 LEU A 53 2.776 1.884 -8.694 1.00 0.90 C ATOM 741 CD2 LEU A 53 2.821 2.416 -6.266 1.00 0.96 C ATOM 0 H LEU A 53 4.555 4.497 -5.064 1.00 0.83 H new ATOM 0 HA LEU A 53 4.269 6.011 -7.619 1.00 0.84 H new ATOM 0 HB2 LEU A 53 4.028 4.207 -8.952 1.00 0.85 H new ATOM 0 HB3 LEU A 53 4.900 3.331 -7.709 1.00 0.85 H new ATOM 0 HG LEU A 53 1.861 3.618 -7.770 1.00 0.90 H new ATOM 0 HD11 LEU A 53 1.907 1.245 -8.538 1.00 0.90 H new ATOM 0 HD12 LEU A 53 2.743 2.302 -9.700 1.00 0.90 H new ATOM 0 HD13 LEU A 53 3.685 1.295 -8.576 1.00 0.90 H new ATOM 0 HD21 LEU A 53 1.945 1.788 -6.105 1.00 0.96 H new ATOM 0 HD22 LEU A 53 3.724 1.813 -6.164 1.00 0.96 H new ATOM 0 HD23 LEU A 53 2.834 3.216 -5.526 1.00 0.96 H new ATOM 753 N VAL A 54 1.645 5.792 -7.288 1.00 0.79 N ATOM 754 CA VAL A 54 0.271 6.074 -6.783 1.00 0.78 C ATOM 755 C VAL A 54 -0.757 5.829 -7.891 1.00 0.80 C ATOM 756 O VAL A 54 -0.413 5.585 -9.030 1.00 0.90 O ATOM 757 CB VAL A 54 0.184 7.532 -6.329 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.787 7.647 -5.153 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.569 8.017 -5.892 1.00 0.92 C ATOM 0 H VAL A 54 1.775 5.911 -8.293 1.00 0.79 H new ATOM 0 HA VAL A 54 0.059 5.412 -5.944 1.00 0.78 H new ATOM 0 HB VAL A 54 -0.173 8.145 -7.157 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.847 8.687 -4.831 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.775 7.305 -5.462 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.432 7.031 -4.326 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.505 9.056 -5.569 1.00 0.92 H new ATOM 0 HG22 VAL A 54 1.926 7.401 -5.066 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.263 7.939 -6.729 1.00 0.92 H new ATOM 769 N TYR A 55 -2.020 5.896 -7.561 1.00 0.78 N ATOM 770 CA TYR A 55 -3.079 5.672 -8.586 1.00 0.82 C ATOM 771 C TYR A 55 -4.457 5.846 -7.945 1.00 0.81 C ATOM 772 O TYR A 55 -4.647 5.574 -6.776 1.00 1.06 O ATOM 773 CB TYR A 55 -2.953 4.253 -9.146 1.00 0.83 C ATOM 774 CG TYR A 55 -4.004 4.032 -10.208 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.987 4.796 -11.381 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.997 3.063 -10.018 1.00 1.54 C ATOM 777 CE1 TYR A 55 -4.964 4.592 -12.363 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.972 2.858 -11.001 1.00 1.71 C ATOM 779 CZ TYR A 55 -5.956 3.623 -12.174 1.00 1.37 C ATOM 780 OH TYR A 55 -6.919 3.423 -13.142 1.00 1.61 O ATOM 0 H TYR A 55 -2.364 6.097 -6.622 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.961 6.395 -9.393 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.959 4.105 -9.568 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -3.072 3.523 -8.345 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.221 5.542 -11.528 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -5.010 2.474 -9.113 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -4.952 5.183 -13.267 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.737 2.110 -10.855 1.00 1.71 H new ATOM 0 HH TYR A 55 -6.764 4.038 -13.889 1.00 1.61 H new ATOM 790 N ASN A 56 -5.420 6.300 -8.699 1.00 0.93 N ATOM 791 CA ASN A 56 -6.783 6.495 -8.136 1.00 1.01 C ATOM 792 C ASN A 56 -7.741 5.470 -8.746 1.00 1.28 C ATOM 793 O ASN A 56 -7.327 4.498 -9.346 1.00 2.04 O ATOM 794 CB ASN A 56 -7.268 7.906 -8.465 1.00 1.81 C ATOM 795 CG ASN A 56 -6.861 8.862 -7.341 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.561 9.813 -7.054 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.750 8.650 -6.691 1.00 2.47 N ATOM 0 H ASN A 56 -5.320 6.545 -9.684 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.753 6.362 -7.055 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.840 8.237 -9.411 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.351 7.910 -8.586 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.469 9.282 -5.942 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.163 7.852 -6.932 1.00 2.47 H new ATOM 804 N GLY A 57 -9.022 5.681 -8.601 1.00 1.18 N ATOM 805 CA GLY A 57 -10.006 4.720 -9.174 1.00 1.77 C ATOM 806 C GLY A 57 -10.106 3.489 -8.272 1.00 1.64 C ATOM 807 O GLY A 57 -9.715 2.401 -8.643 1.00 2.48 O ATOM 0 H GLY A 57 -9.429 6.478 -8.110 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.982 5.196 -9.267 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.699 4.424 -10.177 1.00 1.77 H new ATOM 811 N VAL A 58 -10.627 3.652 -7.085 1.00 1.34 N ATOM 812 CA VAL A 58 -10.751 2.490 -6.160 1.00 1.99 C ATOM 813 C VAL A 58 -11.992 2.666 -5.282 1.00 1.78 C ATOM 814 O VAL A 58 -11.935 3.271 -4.230 1.00 1.95 O ATOM 815 CB VAL A 58 -9.508 2.414 -5.271 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.432 1.035 -4.613 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.256 2.641 -6.122 1.00 2.88 C ATOM 0 H VAL A 58 -10.971 4.539 -6.717 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.843 1.572 -6.740 1.00 1.99 H new ATOM 0 HB VAL A 58 -9.568 3.182 -4.500 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.546 0.982 -3.980 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -10.322 0.872 -4.006 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.373 0.267 -5.384 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.371 2.587 -5.488 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.197 1.874 -6.894 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.308 3.624 -6.590 1.00 2.88 H new ATOM 827 N PRO A 59 -13.106 2.139 -5.714 1.00 1.85 N ATOM 828 CA PRO A 59 -14.387 2.233 -4.961 1.00 1.84 C ATOM 829 C PRO A 59 -14.470 1.201 -3.833 1.00 1.90 C ATOM 830 O PRO A 59 -13.844 0.161 -3.885 1.00 2.05 O ATOM 831 CB PRO A 59 -15.446 1.952 -6.026 1.00 2.07 C ATOM 832 CG PRO A 59 -14.770 1.094 -7.046 1.00 2.39 C ATOM 833 CD PRO A 59 -13.269 1.392 -6.972 1.00 2.40 C ATOM 0 HA PRO A 59 -14.506 3.200 -4.472 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -16.309 1.444 -5.596 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.810 2.878 -6.471 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.962 0.039 -6.849 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.155 1.307 -8.043 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.681 0.474 -6.968 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.938 1.979 -7.829 1.00 2.40 H new ATOM 841 N VAL A 60 -15.236 1.479 -2.814 1.00 2.10 N ATOM 842 CA VAL A 60 -15.352 0.510 -1.687 1.00 2.46 C ATOM 843 C VAL A 60 -16.720 0.657 -1.018 1.00 2.53 C ATOM 844 O VAL A 60 -17.288 1.731 -0.970 1.00 2.50 O ATOM 845 CB VAL A 60 -14.252 0.789 -0.661 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.958 -0.486 0.133 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.982 1.241 -1.386 1.00 2.93 C ATOM 0 H VAL A 60 -15.785 2.333 -2.713 1.00 2.10 H new ATOM 0 HA VAL A 60 -15.246 -0.504 -2.072 1.00 2.46 H new ATOM 0 HB VAL A 60 -14.582 1.573 0.020 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -13.174 -0.287 0.864 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.862 -0.810 0.649 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -13.628 -1.271 -0.548 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -12.198 1.440 -0.656 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -12.653 0.456 -2.067 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -13.190 2.149 -1.952 1.00 2.93 H new ATOM 857 N GLY A 61 -17.251 -0.416 -0.498 1.00 2.83 N ATOM 858 CA GLY A 61 -18.580 -0.343 0.173 1.00 3.05 C ATOM 859 C GLY A 61 -18.583 -1.273 1.387 1.00 2.72 C ATOM 860 O GLY A 61 -18.458 -2.475 1.261 1.00 2.61 O ATOM 0 H GLY A 61 -16.821 -1.341 -0.509 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.788 0.681 0.484 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -19.368 -0.631 -0.523 1.00 3.05 H new ATOM 864 N GLU A 62 -18.720 -0.726 2.565 1.00 3.03 N ATOM 865 CA GLU A 62 -18.723 -1.575 3.790 1.00 2.96 C ATOM 866 C GLU A 62 -19.388 -2.920 3.486 1.00 2.29 C ATOM 867 O GLU A 62 -20.307 -3.005 2.698 1.00 2.02 O ATOM 868 CB GLU A 62 -19.502 -0.866 4.900 1.00 4.03 C ATOM 869 CG GLU A 62 -19.367 0.647 4.734 1.00 4.32 C ATOM 870 CD GLU A 62 -20.271 1.120 3.593 1.00 5.32 C ATOM 871 OE1 GLU A 62 -21.452 1.300 3.837 1.00 5.54 O ATOM 872 OE2 GLU A 62 -19.766 1.293 2.497 1.00 6.05 O ATOM 0 H GLU A 62 -18.830 0.274 2.731 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.695 -1.744 4.112 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -20.553 -1.154 4.862 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.123 -1.170 5.876 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.641 1.151 5.661 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.330 0.909 4.523 1.00 4.32 H new ATOM 879 N GLY A 63 -18.931 -3.971 4.112 1.00 2.54 N ATOM 880 CA GLY A 63 -19.538 -5.310 3.865 1.00 2.46 C ATOM 881 C GLY A 63 -18.785 -6.023 2.741 1.00 2.21 C ATOM 882 O GLY A 63 -18.902 -7.219 2.565 1.00 2.29 O ATOM 0 H GLY A 63 -18.164 -3.960 4.784 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.502 -5.909 4.775 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.589 -5.199 3.597 1.00 2.46 H new ATOM 886 N GLU A 64 -18.014 -5.300 1.974 1.00 2.23 N ATOM 887 CA GLU A 64 -17.261 -5.941 0.861 1.00 2.27 C ATOM 888 C GLU A 64 -15.760 -5.898 1.157 1.00 2.19 C ATOM 889 O GLU A 64 -15.297 -5.118 1.965 1.00 2.81 O ATOM 890 CB GLU A 64 -17.545 -5.184 -0.437 1.00 2.70 C ATOM 891 CG GLU A 64 -18.757 -5.803 -1.137 1.00 3.18 C ATOM 892 CD GLU A 64 -19.273 -4.843 -2.210 1.00 3.59 C ATOM 893 OE1 GLU A 64 -18.614 -4.715 -3.228 1.00 4.03 O ATOM 894 OE2 GLU A 64 -20.319 -4.253 -1.995 1.00 3.92 O ATOM 0 H GLU A 64 -17.874 -4.294 2.071 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.576 -6.980 0.761 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.734 -4.132 -0.223 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.674 -5.224 -1.091 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.482 -6.756 -1.589 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.543 -6.010 -0.411 1.00 3.18 H new ATOM 901 N SER A 65 -14.997 -6.729 0.501 1.00 1.71 N ATOM 902 CA SER A 65 -13.525 -6.739 0.734 1.00 1.83 C ATOM 903 C SER A 65 -12.804 -6.627 -0.611 1.00 1.49 C ATOM 904 O SER A 65 -13.221 -7.203 -1.597 1.00 1.87 O ATOM 905 CB SER A 65 -13.124 -8.046 1.421 1.00 2.37 C ATOM 906 OG SER A 65 -13.726 -8.104 2.707 1.00 2.91 O ATOM 0 H SER A 65 -15.331 -7.403 -0.188 1.00 1.71 H new ATOM 0 HA SER A 65 -13.249 -5.898 1.371 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.441 -8.898 0.820 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.039 -8.105 1.511 1.00 2.37 H new ATOM 0 HG SER A 65 -13.607 -9.001 3.084 1.00 2.91 H new ATOM 912 N TYR A 66 -11.731 -5.886 -0.667 1.00 1.14 N ATOM 913 CA TYR A 66 -11.000 -5.737 -1.953 1.00 1.22 C ATOM 914 C TYR A 66 -9.691 -6.527 -1.902 1.00 1.63 C ATOM 915 O TYR A 66 -9.344 -7.112 -0.896 1.00 2.01 O ATOM 916 CB TYR A 66 -10.691 -4.259 -2.181 1.00 1.29 C ATOM 917 CG TYR A 66 -11.936 -3.552 -2.660 1.00 1.20 C ATOM 918 CD1 TYR A 66 -13.029 -3.401 -1.797 1.00 1.79 C ATOM 919 CD2 TYR A 66 -11.999 -3.048 -3.964 1.00 1.47 C ATOM 920 CE1 TYR A 66 -14.184 -2.746 -2.239 1.00 1.98 C ATOM 921 CE2 TYR A 66 -13.155 -2.393 -4.407 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.247 -2.242 -3.544 1.00 1.87 C ATOM 923 OH TYR A 66 -15.387 -1.597 -3.980 1.00 2.38 O ATOM 0 H TYR A 66 -11.331 -5.379 0.122 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.616 -6.119 -2.767 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.335 -3.804 -1.257 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.894 -4.153 -2.917 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.980 -3.790 -0.791 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.156 -3.164 -4.629 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -15.027 -2.629 -1.574 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.204 -2.005 -5.414 1.00 1.86 H new ATOM 0 HH TYR A 66 -15.152 -0.958 -4.685 1.00 2.38 H new ATOM 933 N VAL A 67 -8.961 -6.541 -2.985 1.00 1.69 N ATOM 934 CA VAL A 67 -7.671 -7.288 -3.011 1.00 2.07 C ATOM 935 C VAL A 67 -6.682 -6.572 -3.933 1.00 2.20 C ATOM 936 O VAL A 67 -7.052 -5.720 -4.716 1.00 2.22 O ATOM 937 CB VAL A 67 -7.914 -8.706 -3.537 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.855 -9.654 -2.969 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.304 -9.181 -3.108 1.00 2.54 C ATOM 0 H VAL A 67 -9.203 -6.066 -3.855 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.261 -7.335 -2.002 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.851 -8.702 -4.625 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.030 -10.662 -3.345 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.864 -9.319 -3.277 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.915 -9.657 -1.881 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.475 -10.190 -3.483 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.368 -9.182 -2.020 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.060 -8.509 -3.515 1.00 2.54 H new ATOM 949 N LEU A 68 -5.425 -6.913 -3.848 1.00 2.36 N ATOM 950 CA LEU A 68 -4.410 -6.253 -4.720 1.00 2.59 C ATOM 951 C LEU A 68 -3.268 -7.232 -5.007 1.00 2.17 C ATOM 952 O LEU A 68 -2.585 -7.681 -4.109 1.00 2.07 O ATOM 953 CB LEU A 68 -3.855 -5.018 -4.006 1.00 3.01 C ATOM 954 CG LEU A 68 -3.341 -4.014 -5.041 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.526 -3.320 -5.714 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.468 -2.968 -4.344 1.00 3.61 C ATOM 0 H LEU A 68 -5.056 -7.620 -3.212 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.876 -5.954 -5.659 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.632 -4.559 -3.394 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.048 -5.307 -3.333 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.753 -4.538 -5.794 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.159 -2.605 -6.451 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.150 -4.064 -6.210 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.115 -2.795 -4.962 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.101 -2.252 -5.079 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -3.058 -2.445 -3.591 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.623 -3.461 -3.864 1.00 3.61 H new ATOM 968 N SER A 69 -3.053 -7.562 -6.251 1.00 1.98 N ATOM 969 CA SER A 69 -1.951 -8.508 -6.589 1.00 1.66 C ATOM 970 C SER A 69 -0.838 -7.745 -7.310 1.00 1.53 C ATOM 971 O SER A 69 -0.736 -7.762 -8.521 1.00 1.60 O ATOM 972 CB SER A 69 -2.489 -9.622 -7.482 1.00 1.82 C ATOM 973 OG SER A 69 -1.487 -10.007 -8.413 1.00 2.27 O ATOM 0 H SER A 69 -3.591 -7.219 -7.047 1.00 1.98 H new ATOM 0 HA SER A 69 -1.551 -8.951 -5.677 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.785 -10.478 -6.876 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.380 -9.282 -8.010 1.00 1.82 H new ATOM 0 HG SER A 69 -1.305 -9.263 -9.024 1.00 2.27 H new ATOM 979 N PHE A 70 -0.015 -7.059 -6.565 1.00 1.38 N ATOM 980 CA PHE A 70 1.087 -6.275 -7.190 1.00 1.30 C ATOM 981 C PHE A 70 2.381 -7.088 -7.224 1.00 1.23 C ATOM 982 O PHE A 70 2.668 -7.858 -6.329 1.00 1.40 O ATOM 983 CB PHE A 70 1.309 -4.976 -6.410 1.00 1.34 C ATOM 984 CG PHE A 70 1.832 -5.283 -5.027 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.211 -5.384 -4.806 1.00 1.23 C ATOM 986 CD2 PHE A 70 0.938 -5.455 -3.963 1.00 1.96 C ATOM 987 CE1 PHE A 70 3.696 -5.656 -3.521 1.00 1.35 C ATOM 988 CE2 PHE A 70 1.424 -5.728 -2.679 1.00 2.01 C ATOM 989 CZ PHE A 70 2.802 -5.829 -2.458 1.00 1.48 C ATOM 0 H PHE A 70 -0.059 -7.008 -5.547 1.00 1.38 H new ATOM 0 HA PHE A 70 0.802 -6.038 -8.215 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.017 -4.340 -6.942 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.373 -4.421 -6.338 1.00 1.34 H new ATOM 0 HD1 PHE A 70 3.901 -5.252 -5.627 1.00 1.23 H new ATOM 0 HD2 PHE A 70 -0.126 -5.377 -4.133 1.00 1.96 H new ATOM 0 HE1 PHE A 70 4.760 -5.732 -3.350 1.00 1.35 H new ATOM 0 HE2 PHE A 70 0.735 -5.861 -1.858 1.00 2.01 H new ATOM 0 HZ PHE A 70 3.176 -6.040 -1.467 1.00 1.48 H new ATOM 999 N THR A 71 3.177 -6.902 -8.243 1.00 1.13 N ATOM 1000 CA THR A 71 4.467 -7.637 -8.334 1.00 1.16 C ATOM 1001 C THR A 71 5.576 -6.750 -7.767 1.00 1.11 C ATOM 1002 O THR A 71 5.613 -5.561 -8.014 1.00 1.39 O ATOM 1003 CB THR A 71 4.774 -7.946 -9.802 1.00 1.26 C ATOM 1004 OG1 THR A 71 4.293 -6.884 -10.612 1.00 1.15 O ATOM 1005 CG2 THR A 71 4.094 -9.252 -10.218 1.00 1.80 C ATOM 0 H THR A 71 2.986 -6.269 -9.019 1.00 1.13 H new ATOM 0 HA THR A 71 4.405 -8.569 -7.772 1.00 1.16 H new ATOM 0 HB THR A 71 5.851 -8.051 -9.929 1.00 1.26 H new ATOM 0 HG1 THR A 71 4.264 -6.058 -10.085 1.00 1.15 H new ATOM 0 HG21 THR A 71 4.319 -9.462 -11.264 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.462 -10.068 -9.596 1.00 1.80 H new ATOM 0 HG23 THR A 71 3.016 -9.157 -10.091 1.00 1.80 H new ATOM 1013 N ALA A 72 6.479 -7.307 -7.010 1.00 0.96 N ATOM 1014 CA ALA A 72 7.572 -6.469 -6.440 1.00 0.87 C ATOM 1015 C ALA A 72 8.559 -7.345 -5.668 1.00 0.81 C ATOM 1016 O ALA A 72 8.198 -8.027 -4.730 1.00 0.85 O ATOM 1017 CB ALA A 72 6.972 -5.427 -5.496 1.00 0.81 C ATOM 0 H ALA A 72 6.509 -8.296 -6.763 1.00 0.96 H new ATOM 0 HA ALA A 72 8.100 -5.971 -7.253 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.770 -4.813 -5.078 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.277 -4.793 -6.048 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.441 -5.931 -4.689 1.00 0.81 H new ATOM 1023 N SER A 73 9.806 -7.320 -6.049 1.00 0.75 N ATOM 1024 CA SER A 73 10.824 -8.137 -5.332 1.00 0.72 C ATOM 1025 C SER A 73 11.785 -7.197 -4.605 1.00 0.64 C ATOM 1026 O SER A 73 12.407 -6.344 -5.208 1.00 0.84 O ATOM 1027 CB SER A 73 11.601 -8.991 -6.334 1.00 0.82 C ATOM 1028 OG SER A 73 11.731 -8.278 -7.557 1.00 0.93 O ATOM 0 H SER A 73 10.164 -6.768 -6.828 1.00 0.75 H new ATOM 0 HA SER A 73 10.332 -8.794 -4.614 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.586 -9.235 -5.935 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.083 -9.935 -6.503 1.00 0.82 H new ATOM 0 HG SER A 73 12.230 -8.822 -8.201 1.00 0.93 H new ATOM 1034 N ALA A 74 11.907 -7.338 -3.315 1.00 0.66 N ATOM 1035 CA ALA A 74 12.822 -6.443 -2.555 1.00 0.59 C ATOM 1036 C ALA A 74 14.212 -7.075 -2.467 1.00 0.61 C ATOM 1037 O ALA A 74 14.357 -8.238 -2.145 1.00 0.67 O ATOM 1038 CB ALA A 74 12.270 -6.230 -1.144 1.00 0.59 C ATOM 0 H ALA A 74 11.413 -8.033 -2.755 1.00 0.66 H new ATOM 0 HA ALA A 74 12.895 -5.484 -3.069 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.939 -5.575 -0.587 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.282 -5.773 -1.205 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.195 -7.190 -0.634 1.00 0.59 H new ATOM 1044 N THR A 75 15.235 -6.315 -2.748 1.00 0.62 N ATOM 1045 CA THR A 75 16.616 -6.860 -2.679 1.00 0.72 C ATOM 1046 C THR A 75 17.526 -5.847 -1.969 1.00 0.72 C ATOM 1047 O THR A 75 17.760 -4.771 -2.483 1.00 0.74 O ATOM 1048 CB THR A 75 17.125 -7.079 -4.103 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.504 -6.142 -4.972 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.790 -8.499 -4.560 1.00 0.97 C ATOM 0 H THR A 75 15.171 -5.335 -3.024 1.00 0.62 H new ATOM 0 HA THR A 75 16.620 -7.801 -2.129 1.00 0.72 H new ATOM 0 HB THR A 75 18.206 -6.941 -4.126 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.829 -6.278 -5.886 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.155 -8.650 -5.576 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.266 -9.218 -3.893 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.710 -8.643 -4.537 1.00 0.97 H new ATOM 1058 N PRO A 76 18.042 -6.166 -0.804 1.00 0.77 N ATOM 1059 CA PRO A 76 17.804 -7.468 -0.103 1.00 0.83 C ATOM 1060 C PRO A 76 16.344 -7.653 0.316 1.00 0.73 C ATOM 1061 O PRO A 76 15.430 -7.273 -0.386 1.00 0.68 O ATOM 1062 CB PRO A 76 18.695 -7.392 1.146 1.00 0.97 C ATOM 1063 CG PRO A 76 19.643 -6.263 0.911 1.00 1.02 C ATOM 1064 CD PRO A 76 18.929 -5.293 -0.026 1.00 0.85 C ATOM 0 HA PRO A 76 18.031 -8.310 -0.756 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.097 -7.219 2.041 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.233 -8.328 1.298 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.906 -5.775 1.849 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.572 -6.621 0.466 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.368 -4.539 0.527 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.633 -4.761 -0.666 1.00 0.85 H new ATOM 1072 N ASP A 77 16.120 -8.231 1.460 1.00 0.81 N ATOM 1073 CA ASP A 77 14.720 -8.443 1.928 1.00 0.76 C ATOM 1074 C ASP A 77 14.416 -7.498 3.092 1.00 0.72 C ATOM 1075 O ASP A 77 15.301 -7.064 3.801 1.00 0.78 O ATOM 1076 CB ASP A 77 14.553 -9.892 2.391 1.00 0.91 C ATOM 1077 CG ASP A 77 15.411 -10.810 1.519 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.435 -10.601 0.317 1.00 1.75 O ATOM 1079 OD2 ASP A 77 16.031 -11.706 2.068 1.00 1.30 O ATOM 0 H ASP A 77 16.845 -8.567 2.094 1.00 0.81 H new ATOM 0 HA ASP A 77 14.031 -8.239 1.109 1.00 0.76 H new ATOM 0 HB2 ASP A 77 14.847 -9.987 3.436 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.506 -10.187 2.327 1.00 0.91 H new ATOM 1084 N MET A 78 13.165 -7.179 3.295 1.00 0.75 N ATOM 1085 CA MET A 78 12.801 -6.265 4.415 1.00 0.87 C ATOM 1086 C MET A 78 11.329 -5.865 4.288 1.00 0.89 C ATOM 1087 O MET A 78 10.766 -5.871 3.211 1.00 0.93 O ATOM 1088 CB MET A 78 13.676 -5.010 4.355 1.00 1.01 C ATOM 1089 CG MET A 78 13.887 -4.602 2.896 1.00 1.19 C ATOM 1090 SD MET A 78 15.591 -4.964 2.408 1.00 1.83 S ATOM 1091 CE MET A 78 16.407 -3.947 3.665 1.00 2.16 C ATOM 0 H MET A 78 12.381 -7.512 2.734 1.00 0.75 H new ATOM 0 HA MET A 78 12.960 -6.774 5.366 1.00 0.87 H new ATOM 0 HB2 MET A 78 13.202 -4.197 4.906 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.637 -5.201 4.833 1.00 1.01 H new ATOM 0 HG2 MET A 78 13.191 -5.140 2.253 1.00 1.19 H new ATOM 0 HG3 MET A 78 13.680 -3.539 2.771 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.296 -3.483 3.237 1.00 2.16 H new ATOM 0 HE2 MET A 78 15.721 -3.172 4.007 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.696 -4.574 4.509 1.00 2.16 H new ATOM 1101 N PRO A 79 10.713 -5.520 5.387 1.00 0.96 N ATOM 1102 CA PRO A 79 9.279 -5.107 5.414 1.00 1.04 C ATOM 1103 C PRO A 79 9.068 -3.702 4.843 1.00 1.13 C ATOM 1104 O PRO A 79 9.727 -2.759 5.232 1.00 1.28 O ATOM 1105 CB PRO A 79 8.921 -5.138 6.900 1.00 1.12 C ATOM 1106 CG PRO A 79 10.211 -4.922 7.622 1.00 1.38 C ATOM 1107 CD PRO A 79 11.317 -5.487 6.728 1.00 1.11 C ATOM 0 HA PRO A 79 8.658 -5.761 4.802 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.198 -4.361 7.146 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.471 -6.092 7.176 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.373 -3.862 7.815 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.201 -5.424 8.589 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.207 -4.858 6.749 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.622 -6.482 7.052 1.00 1.11 H new ATOM 1115 N VAL A 80 8.153 -3.556 3.926 1.00 1.13 N ATOM 1116 CA VAL A 80 7.899 -2.213 3.334 1.00 1.31 C ATOM 1117 C VAL A 80 6.581 -1.660 3.884 1.00 1.45 C ATOM 1118 O VAL A 80 5.934 -2.280 4.705 1.00 1.98 O ATOM 1119 CB VAL A 80 7.831 -2.335 1.806 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.518 -3.631 1.372 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.371 -2.361 1.338 1.00 1.79 C ATOM 0 H VAL A 80 7.570 -4.309 3.561 1.00 1.13 H new ATOM 0 HA VAL A 80 8.707 -1.531 3.597 1.00 1.31 H new ATOM 0 HB VAL A 80 8.333 -1.476 1.361 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.472 -3.721 0.287 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.560 -3.615 1.691 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.012 -4.482 1.829 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.339 -2.448 0.252 1.00 1.79 H new ATOM 0 HG22 VAL A 80 5.861 -3.214 1.786 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.875 -1.440 1.643 1.00 1.79 H new ATOM 1131 N ARG A 81 6.178 -0.502 3.441 1.00 1.48 N ATOM 1132 CA ARG A 81 4.901 0.080 3.944 1.00 1.84 C ATOM 1133 C ARG A 81 4.025 0.500 2.763 1.00 2.04 C ATOM 1134 O ARG A 81 4.512 0.908 1.728 1.00 2.57 O ATOM 1135 CB ARG A 81 5.206 1.300 4.818 1.00 2.24 C ATOM 1136 CG ARG A 81 5.513 2.504 3.926 1.00 2.95 C ATOM 1137 CD ARG A 81 6.609 3.360 4.566 1.00 4.04 C ATOM 1138 NE ARG A 81 6.590 3.188 6.050 1.00 4.81 N ATOM 1139 CZ ARG A 81 5.475 3.270 6.725 1.00 5.14 C ATOM 1140 NH1 ARG A 81 4.375 3.654 6.136 1.00 4.94 N ATOM 1141 NH2 ARG A 81 5.469 3.010 8.003 1.00 6.01 N ATOM 0 H ARG A 81 6.675 0.066 2.755 1.00 1.48 H new ATOM 0 HA ARG A 81 4.371 -0.667 4.535 1.00 1.84 H new ATOM 0 HB2 ARG A 81 4.356 1.520 5.463 1.00 2.24 H new ATOM 0 HB3 ARG A 81 6.055 1.091 5.469 1.00 2.24 H new ATOM 0 HG2 ARG A 81 5.833 2.165 2.940 1.00 2.95 H new ATOM 0 HG3 ARG A 81 4.612 3.100 3.781 1.00 2.95 H new ATOM 0 HD2 ARG A 81 7.583 3.073 4.171 1.00 4.04 H new ATOM 0 HD3 ARG A 81 6.458 4.409 4.311 1.00 4.04 H new ATOM 0 HE ARG A 81 7.463 3.003 6.544 1.00 4.81 H new ATOM 0 HH11 ARG A 81 4.384 3.892 5.144 1.00 4.94 H new ATOM 0 HH12 ARG A 81 3.507 3.716 6.668 1.00 4.94 H new ATOM 0 HH21 ARG A 81 6.334 2.743 8.473 1.00 6.01 H new ATOM 0 HH22 ARG A 81 4.599 3.073 8.532 1.00 6.01 H new ATOM 1155 N VAL A 82 2.732 0.400 2.911 1.00 2.00 N ATOM 1156 CA VAL A 82 1.819 0.791 1.802 1.00 2.41 C ATOM 1157 C VAL A 82 0.500 1.296 2.390 1.00 1.99 C ATOM 1158 O VAL A 82 0.126 0.943 3.491 1.00 1.85 O ATOM 1159 CB VAL A 82 1.552 -0.422 0.910 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.254 -1.643 1.782 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.350 -0.138 0.006 1.00 3.57 C ATOM 0 H VAL A 82 2.268 0.063 3.755 1.00 2.00 H new ATOM 0 HA VAL A 82 2.280 1.580 1.208 1.00 2.41 H new ATOM 0 HB VAL A 82 2.431 -0.619 0.296 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.064 -2.507 1.145 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.109 -1.848 2.426 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.376 -1.445 2.397 1.00 3.76 H new ATOM 0 HG21 VAL A 82 0.160 -1.003 -0.630 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.528 0.061 0.620 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.561 0.731 -0.617 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.209 2.120 1.669 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.500 2.643 2.198 1.00 1.82 C ATOM 1173 C LEU A 83 -2.528 2.729 1.068 1.00 1.64 C ATOM 1174 O LEU A 83 -2.188 2.913 -0.083 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.280 4.036 2.792 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.623 4.939 1.745 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.304 6.309 1.753 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.860 5.107 2.078 1.00 1.42 C ATOM 0 H LEU A 83 0.048 2.453 0.740 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.870 1.969 2.970 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.232 4.462 3.110 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.649 3.970 3.678 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.727 4.487 0.759 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.836 6.952 1.008 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.362 6.191 1.518 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -1.200 6.761 2.739 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.330 5.750 1.333 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.962 5.559 3.064 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.347 4.132 2.074 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.786 2.601 1.393 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.841 2.680 0.341 1.00 1.53 C ATOM 1192 C VAL A 84 -6.130 3.232 0.952 1.00 1.46 C ATOM 1193 O VAL A 84 -6.302 3.242 2.154 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.115 1.287 -0.229 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.514 1.406 -1.701 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.854 0.426 -0.114 1.00 1.84 C ATOM 0 H VAL A 84 -4.129 2.445 2.341 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.498 3.338 -0.458 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.925 0.822 0.333 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.709 0.413 -2.107 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.413 2.016 -1.786 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.704 1.874 -2.261 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.052 -0.566 -0.521 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.043 0.892 -0.673 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.568 0.338 0.934 1.00 1.84 H new ATOM 1206 N GLY A 85 -7.039 3.687 0.135 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.316 4.233 0.673 1.00 1.49 C ATOM 1208 C GLY A 85 -8.715 5.482 -0.114 1.00 1.17 C ATOM 1209 O GLY A 85 -8.446 5.598 -1.293 1.00 1.15 O ATOM 0 H GLY A 85 -6.953 3.704 -0.881 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -9.102 3.481 0.603 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.202 4.478 1.729 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.355 6.419 0.531 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.772 7.662 -0.178 1.00 1.19 C ATOM 1215 C GLU A 86 -8.663 8.710 -0.065 1.00 1.21 C ATOM 1216 O GLU A 86 -7.789 8.615 0.774 1.00 1.63 O ATOM 1217 CB GLU A 86 -11.054 8.204 0.459 1.00 1.44 C ATOM 1218 CG GLU A 86 -11.085 7.824 1.941 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.408 6.336 2.080 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.867 5.756 1.109 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -11.192 5.800 3.155 1.00 2.03 O ATOM 0 H GLU A 86 -9.607 6.377 1.518 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.954 7.439 -1.229 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.098 9.288 0.349 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.927 7.796 -0.051 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.123 8.043 2.404 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.833 8.420 2.464 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.693 9.712 -0.901 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.640 10.764 -0.839 1.00 1.38 C ATOM 1230 C GLY A 87 -8.261 12.081 -0.368 1.00 1.20 C ATOM 1231 O GLY A 87 -8.264 13.066 -1.079 1.00 1.26 O ATOM 0 H GLY A 87 -9.400 9.847 -1.623 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.846 10.459 -0.157 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.184 10.895 -1.820 1.00 1.38 H new ATOM 1280 N ARG A 92 -11.150 9.371 6.233 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.872 8.667 6.537 1.00 2.12 C ATOM 1282 C ARG A 92 -9.783 7.383 5.710 1.00 1.84 C ATOM 1283 O ARG A 92 -10.733 6.978 5.069 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.829 8.314 8.026 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.955 7.329 8.348 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.296 7.413 9.837 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.333 6.042 10.427 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.908 5.056 9.788 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.526 5.272 8.660 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -11.881 3.853 10.295 1.00 5.74 N ATOM 0 HA ARG A 92 -9.033 9.317 6.289 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -8.864 7.875 8.279 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.937 9.216 8.628 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -11.836 7.559 7.749 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.650 6.315 8.091 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -10.555 8.022 10.355 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.261 7.902 9.971 1.00 3.19 H new ATOM 0 HE ARG A 92 -10.906 5.872 11.338 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -12.563 6.214 8.271 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -12.972 4.499 8.167 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -11.413 3.685 11.186 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -12.328 3.081 9.800 1.00 5.74 H new ATOM 1304 N THR A 93 -8.647 6.740 5.719 1.00 1.67 N ATOM 1305 CA THR A 93 -8.496 5.481 4.935 1.00 1.74 C ATOM 1306 C THR A 93 -8.593 4.275 5.866 1.00 1.95 C ATOM 1307 O THR A 93 -8.656 4.406 7.072 1.00 2.27 O ATOM 1308 CB THR A 93 -7.132 5.462 4.243 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.680 4.119 4.144 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.126 6.275 5.060 1.00 1.74 C ATOM 0 H THR A 93 -7.817 7.032 6.235 1.00 1.67 H new ATOM 0 HA THR A 93 -9.289 5.435 4.189 1.00 1.74 H new ATOM 0 HB THR A 93 -7.223 5.898 3.248 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.411 3.932 3.221 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.156 6.259 4.563 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.473 7.305 5.144 1.00 1.74 H new ATOM 0 HG23 THR A 93 -6.031 5.842 6.056 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.596 3.097 5.308 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.679 1.872 6.146 1.00 2.71 C ATOM 1320 C ALA A 94 -7.536 0.928 5.770 1.00 2.70 C ATOM 1321 O ALA A 94 -7.204 0.017 6.504 1.00 3.18 O ATOM 1322 CB ALA A 94 -10.019 1.175 5.902 1.00 3.28 C ATOM 0 H ALA A 94 -8.544 2.931 4.303 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.600 2.142 7.199 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.079 0.277 6.517 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.833 1.850 6.165 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.100 0.901 4.850 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.928 1.133 4.631 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.809 0.242 4.218 1.00 2.32 C ATOM 1330 C PHE A 95 -4.486 0.821 4.720 1.00 1.89 C ATOM 1331 O PHE A 95 -3.472 0.738 4.056 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.770 0.153 2.693 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.255 -1.203 2.272 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.303 -1.870 3.053 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.731 -1.794 1.095 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.829 -3.126 2.658 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.256 -3.051 0.700 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.306 -3.717 1.481 1.00 3.60 C ATOM 0 H PHE A 95 -7.158 1.877 3.972 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.959 -0.751 4.642 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.767 0.316 2.285 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.128 0.937 2.290 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.935 -1.415 3.960 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.465 -1.280 0.492 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -3.095 -3.640 3.261 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.623 -3.506 -0.208 1.00 3.55 H new ATOM 0 HZ PHE A 95 -3.940 -4.687 1.177 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.484 1.410 5.882 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.220 1.993 6.411 1.00 2.11 C ATOM 1350 C GLU A 96 -2.402 0.898 7.100 1.00 1.99 C ATOM 1351 O GLU A 96 -2.274 0.874 8.307 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.547 3.097 7.418 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.250 3.743 7.909 1.00 3.05 C ATOM 1354 CD GLU A 96 -2.580 4.948 8.791 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.743 5.310 8.854 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -1.664 5.491 9.387 1.00 4.04 O ATOM 0 H GLU A 96 -5.299 1.513 6.487 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.643 2.414 5.588 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.187 3.848 6.955 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -4.101 2.683 8.261 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -1.661 3.018 8.471 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -1.643 4.056 7.059 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.848 -0.009 6.342 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.041 -1.101 6.956 1.00 2.35 C ATOM 1365 C GLN A 97 0.448 -0.794 6.788 1.00 2.76 C ATOM 1366 O GLN A 97 0.824 0.205 6.205 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.372 -2.429 6.269 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.499 -2.597 5.023 1.00 2.67 C ATOM 1369 CD GLN A 97 0.804 -3.302 5.403 1.00 2.83 C ATOM 1370 OE1 GLN A 97 1.871 -2.732 5.296 1.00 2.75 O ATOM 1371 NE2 GLN A 97 0.762 -4.530 5.846 1.00 3.46 N ATOM 0 H GLN A 97 -1.919 -0.041 5.325 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.277 -1.174 8.018 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.204 -3.257 6.957 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.426 -2.454 5.992 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -1.031 -3.176 4.269 1.00 2.67 H new ATOM 0 HG3 GLN A 97 -0.283 -1.623 4.584 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -0.134 -5.009 5.936 1.00 3.46 H new ATOM 0 HE22 GLN A 97 1.625 -5.010 6.102 1.00 3.46 H new ATOM 1380 N GLY A 98 1.300 -1.644 7.293 1.00 2.66 N ATOM 1381 CA GLY A 98 2.765 -1.399 7.161 1.00 3.12 C ATOM 1382 C GLY A 98 3.522 -2.720 7.309 1.00 2.94 C ATOM 1383 O GLY A 98 4.714 -2.739 7.545 1.00 3.67 O ATOM 0 H GLY A 98 1.046 -2.497 7.791 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.983 -0.950 6.192 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.096 -0.692 7.922 1.00 3.12 H new ATOM 1387 N SER A 99 2.841 -3.824 7.174 1.00 2.31 N ATOM 1388 CA SER A 99 3.521 -5.141 7.308 1.00 2.54 C ATOM 1389 C SER A 99 3.568 -5.838 5.946 1.00 2.05 C ATOM 1390 O SER A 99 2.984 -6.885 5.754 1.00 1.87 O ATOM 1391 CB SER A 99 2.745 -6.010 8.298 1.00 3.04 C ATOM 1392 OG SER A 99 3.252 -5.797 9.608 1.00 3.79 O ATOM 0 H SER A 99 1.841 -3.870 6.976 1.00 2.31 H new ATOM 0 HA SER A 99 4.538 -4.990 7.670 1.00 2.54 H new ATOM 0 HB2 SER A 99 1.684 -5.763 8.262 1.00 3.04 H new ATOM 0 HB3 SER A 99 2.837 -7.062 8.026 1.00 3.04 H new ATOM 0 HG SER A 99 2.755 -6.352 10.245 1.00 3.79 H new ATOM 1398 N ALA A 100 4.261 -5.265 5.000 1.00 1.96 N ATOM 1399 CA ALA A 100 4.346 -5.895 3.653 1.00 1.63 C ATOM 1400 C ALA A 100 5.767 -6.423 3.431 1.00 1.41 C ATOM 1401 O ALA A 100 6.656 -5.685 3.058 1.00 1.39 O ATOM 1402 CB ALA A 100 4.018 -4.850 2.583 1.00 1.76 C ATOM 0 H ALA A 100 4.772 -4.388 5.102 1.00 1.96 H new ATOM 0 HA ALA A 100 3.635 -6.719 3.587 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.079 -5.308 1.596 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.010 -4.469 2.744 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.731 -4.028 2.646 1.00 1.76 H new ATOM 1408 N PRO A 101 5.981 -7.692 3.667 1.00 1.67 N ATOM 1409 CA PRO A 101 7.317 -8.327 3.497 1.00 1.70 C ATOM 1410 C PRO A 101 7.634 -8.652 2.035 1.00 1.06 C ATOM 1411 O PRO A 101 6.954 -9.434 1.401 1.00 1.45 O ATOM 1412 CB PRO A 101 7.209 -9.610 4.320 1.00 2.69 C ATOM 1413 CG PRO A 101 5.757 -9.964 4.321 1.00 2.97 C ATOM 1414 CD PRO A 101 4.972 -8.664 4.120 1.00 2.35 C ATOM 0 HA PRO A 101 8.122 -7.665 3.817 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.807 -10.409 3.882 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.576 -9.457 5.335 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.534 -10.675 3.525 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.478 -10.440 5.261 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.180 -8.788 3.381 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.496 -8.340 5.046 1.00 2.35 H new ATOM 1422 N LEU A 102 8.668 -8.061 1.500 1.00 0.99 N ATOM 1423 CA LEU A 102 9.035 -8.338 0.082 1.00 1.10 C ATOM 1424 C LEU A 102 10.407 -9.014 0.041 1.00 0.93 C ATOM 1425 O LEU A 102 11.289 -8.697 0.815 1.00 1.33 O ATOM 1426 CB LEU A 102 9.093 -7.024 -0.700 1.00 2.00 C ATOM 1427 CG LEU A 102 7.685 -6.634 -1.157 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.212 -7.601 -2.244 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.727 -6.698 0.035 1.00 2.31 C ATOM 0 H LEU A 102 9.274 -7.398 1.984 1.00 0.99 H new ATOM 0 HA LEU A 102 8.288 -8.992 -0.367 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.515 -6.236 -0.076 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.749 -7.132 -1.563 1.00 2.00 H new ATOM 0 HG LEU A 102 7.702 -5.620 -1.557 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.209 -7.322 -2.568 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.894 -7.555 -3.093 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.195 -8.616 -1.846 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.724 -6.420 -0.289 1.00 2.31 H new ATOM 0 HD22 LEU A 102 6.712 -7.712 0.435 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.062 -6.007 0.809 1.00 2.31 H new ATOM 1441 N THR A 103 10.596 -9.944 -0.855 1.00 1.21 N ATOM 1442 CA THR A 103 11.911 -10.638 -0.941 1.00 1.09 C ATOM 1443 C THR A 103 12.432 -10.570 -2.378 1.00 1.38 C ATOM 1444 O THR A 103 11.711 -10.234 -3.295 1.00 1.81 O ATOM 1445 CB THR A 103 11.743 -12.102 -0.528 1.00 1.79 C ATOM 1446 OG1 THR A 103 12.705 -12.897 -1.209 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.336 -12.578 -0.891 1.00 2.34 C ATOM 0 H THR A 103 9.897 -10.253 -1.530 1.00 1.21 H new ATOM 0 HA THR A 103 12.622 -10.151 -0.274 1.00 1.09 H new ATOM 0 HB THR A 103 11.889 -12.196 0.548 1.00 1.79 H new ATOM 0 HG1 THR A 103 12.600 -13.835 -0.945 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.217 -13.621 -0.596 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.599 -11.967 -0.369 1.00 2.34 H new ATOM 0 HG23 THR A 103 10.187 -12.486 -1.967 1.00 2.34 H new ATOM 1455 N GLY A 104 13.683 -10.887 -2.581 1.00 1.62 N ATOM 1456 CA GLY A 104 14.249 -10.841 -3.959 1.00 2.17 C ATOM 1457 C GLY A 104 13.591 -11.923 -4.818 1.00 1.60 C ATOM 1458 O GLY A 104 14.153 -12.380 -5.794 1.00 1.83 O ATOM 0 H GLY A 104 14.336 -11.175 -1.853 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.080 -9.859 -4.400 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.328 -10.994 -3.926 1.00 2.17 H new ATOM 1462 N GLU A 105 12.406 -12.335 -4.461 1.00 1.22 N ATOM 1463 CA GLU A 105 11.713 -13.387 -5.257 1.00 1.09 C ATOM 1464 C GLU A 105 10.525 -12.764 -5.997 1.00 1.06 C ATOM 1465 O GLU A 105 9.456 -12.611 -5.443 1.00 1.08 O ATOM 1466 CB GLU A 105 11.206 -14.483 -4.316 1.00 1.40 C ATOM 1467 CG GLU A 105 10.557 -15.600 -5.136 1.00 1.95 C ATOM 1468 CD GLU A 105 9.546 -16.351 -4.268 1.00 2.43 C ATOM 1469 OE1 GLU A 105 8.449 -15.844 -4.096 1.00 2.75 O ATOM 1470 OE2 GLU A 105 9.885 -17.420 -3.787 1.00 3.02 O ATOM 0 H GLU A 105 11.888 -11.989 -3.653 1.00 1.22 H new ATOM 0 HA GLU A 105 12.408 -13.817 -5.978 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.032 -14.882 -3.727 1.00 1.40 H new ATOM 0 HB3 GLU A 105 10.485 -14.068 -3.612 1.00 1.40 H new ATOM 0 HG2 GLU A 105 10.060 -15.181 -6.011 1.00 1.95 H new ATOM 0 HG3 GLU A 105 11.320 -16.288 -5.501 1.00 1.95 H new ATOM 1477 N PRO A 106 10.713 -12.407 -7.240 1.00 1.08 N ATOM 1478 CA PRO A 106 9.640 -11.787 -8.067 1.00 1.12 C ATOM 1479 C PRO A 106 8.314 -12.546 -7.958 1.00 1.24 C ATOM 1480 O PRO A 106 8.220 -13.705 -8.311 1.00 1.42 O ATOM 1481 CB PRO A 106 10.188 -11.865 -9.492 1.00 1.26 C ATOM 1482 CG PRO A 106 11.672 -11.889 -9.342 1.00 1.20 C ATOM 1483 CD PRO A 106 11.969 -12.553 -7.995 1.00 1.13 C ATOM 0 HA PRO A 106 9.415 -10.771 -7.744 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.830 -12.759 -10.003 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.866 -11.009 -10.085 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.134 -12.445 -10.158 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.080 -10.879 -9.374 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.241 -13.601 -8.118 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.800 -12.066 -7.485 1.00 1.13 H new ATOM 1491 N ALA A 107 7.290 -11.899 -7.473 1.00 1.17 N ATOM 1492 CA ALA A 107 5.973 -12.581 -7.340 1.00 1.31 C ATOM 1493 C ALA A 107 4.899 -11.550 -6.989 1.00 1.24 C ATOM 1494 O ALA A 107 5.195 -10.443 -6.585 1.00 1.04 O ATOM 1495 CB ALA A 107 6.052 -13.634 -6.232 1.00 1.37 C ATOM 0 H ALA A 107 7.309 -10.927 -7.163 1.00 1.17 H new ATOM 0 HA ALA A 107 5.718 -13.065 -8.283 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.088 -14.133 -6.135 1.00 1.37 H new ATOM 0 HB2 ALA A 107 6.817 -14.369 -6.482 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.307 -13.151 -5.289 1.00 1.37 H new ATOM 1501 N THR A 108 3.651 -11.905 -7.143 1.00 1.45 N ATOM 1502 CA THR A 108 2.559 -10.946 -6.820 1.00 1.43 C ATOM 1503 C THR A 108 2.145 -11.104 -5.357 1.00 1.38 C ATOM 1504 O THR A 108 2.041 -12.202 -4.848 1.00 1.47 O ATOM 1505 CB THR A 108 1.346 -11.232 -7.709 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.320 -12.614 -8.038 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.430 -10.404 -8.991 1.00 1.66 C ATOM 0 H THR A 108 3.342 -12.818 -7.478 1.00 1.45 H new ATOM 0 HA THR A 108 2.917 -9.931 -6.993 1.00 1.43 H new ATOM 0 HB THR A 108 0.436 -10.964 -7.172 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.901 -12.777 -8.810 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.563 -10.614 -9.617 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.447 -9.344 -8.739 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.340 -10.663 -9.532 1.00 1.66 H new ATOM 1515 N ARG A 109 1.878 -10.018 -4.686 1.00 1.33 N ATOM 1516 CA ARG A 109 1.436 -10.120 -3.269 1.00 1.32 C ATOM 1517 C ARG A 109 -0.059 -9.835 -3.225 1.00 1.37 C ATOM 1518 O ARG A 109 -0.538 -8.912 -3.851 1.00 1.49 O ATOM 1519 CB ARG A 109 2.175 -9.107 -2.401 1.00 1.27 C ATOM 1520 CG ARG A 109 3.677 -9.395 -2.437 1.00 1.97 C ATOM 1521 CD ARG A 109 4.283 -8.785 -3.702 1.00 2.63 C ATOM 1522 NE ARG A 109 5.120 -9.803 -4.404 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.926 -10.583 -3.734 1.00 3.74 C ATOM 1524 NH1 ARG A 109 6.071 -10.430 -2.446 1.00 3.39 N ATOM 1525 NH2 ARG A 109 6.607 -11.505 -4.358 1.00 4.70 N ATOM 0 H ARG A 109 1.946 -9.070 -5.056 1.00 1.33 H new ATOM 0 HA ARG A 109 1.653 -11.117 -2.885 1.00 1.32 H new ATOM 0 HB2 ARG A 109 1.980 -8.096 -2.759 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.810 -9.158 -1.375 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.159 -8.979 -1.553 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.852 -10.471 -2.419 1.00 1.97 H new ATOM 0 HD2 ARG A 109 3.491 -8.434 -4.363 1.00 2.63 H new ATOM 0 HD3 ARG A 109 4.890 -7.917 -3.443 1.00 2.63 H new ATOM 0 HE ARG A 109 5.062 -9.890 -5.419 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.554 -9.699 -1.958 1.00 3.39 H new ATOM 0 HH12 ARG A 109 6.701 -11.042 -1.928 1.00 3.39 H new ATOM 0 HH21 ARG A 109 6.510 -11.616 -5.367 1.00 4.70 H new ATOM 0 HH22 ARG A 109 7.237 -12.115 -3.836 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.802 -10.626 -2.508 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.276 -10.413 -2.461 1.00 1.51 C ATOM 1541 C GLU A 110 -2.707 -9.881 -1.093 1.00 1.50 C ATOM 1542 O GLU A 110 -2.870 -10.626 -0.147 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.982 -11.744 -2.724 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.200 -12.539 -3.772 1.00 2.12 C ATOM 1545 CD GLU A 110 -1.351 -13.605 -3.077 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -0.802 -13.306 -2.029 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -1.264 -14.702 -3.604 1.00 3.28 O ATOM 0 H GLU A 110 -0.456 -11.409 -1.953 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.547 -9.680 -3.221 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.057 -12.317 -1.800 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.999 -11.565 -3.072 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -2.888 -13.009 -4.475 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.562 -11.870 -4.349 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.920 -8.599 -0.990 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.375 -8.015 0.302 1.00 1.81 C ATOM 1556 C TYR A 111 -4.827 -7.562 0.140 1.00 2.14 C ATOM 1557 O TYR A 111 -5.171 -6.881 -0.805 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.508 -6.808 0.674 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.033 -7.157 0.644 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.598 -8.484 0.786 1.00 2.76 C ATOM 1561 CD2 TYR A 111 -0.094 -6.131 0.485 1.00 1.82 C ATOM 1562 CE1 TYR A 111 0.771 -8.777 0.767 1.00 2.96 C ATOM 1563 CE2 TYR A 111 1.274 -6.426 0.464 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.707 -7.748 0.606 1.00 2.36 C ATOM 1565 OH TYR A 111 3.055 -8.039 0.588 1.00 2.67 O ATOM 0 H TYR A 111 -2.798 -7.928 -1.748 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.291 -8.762 1.091 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.704 -5.990 -0.019 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.780 -6.455 1.669 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.319 -9.279 0.910 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.426 -5.109 0.378 1.00 1.82 H new ATOM 0 HE1 TYR A 111 1.106 -9.798 0.877 1.00 2.96 H new ATOM 0 HE2 TYR A 111 1.995 -5.632 0.338 1.00 2.00 H new ATOM 0 HH TYR A 111 3.567 -7.212 0.467 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.684 -7.942 1.047 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.111 -7.540 0.932 1.00 2.71 C ATOM 1577 C ALA A 112 -7.621 -7.043 2.285 1.00 2.50 C ATOM 1578 O ALA A 112 -7.026 -7.294 3.315 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.943 -8.746 0.491 1.00 3.41 C ATOM 0 H ALA A 112 -5.457 -8.513 1.861 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.201 -6.740 0.197 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.990 -8.454 0.406 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.585 -9.101 -0.476 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.847 -9.543 1.228 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.725 -6.348 2.292 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.279 -5.845 3.579 1.00 2.20 C ATOM 1587 C PHE A 113 -10.805 -5.920 3.542 1.00 1.67 C ATOM 1588 O PHE A 113 -11.399 -6.232 2.529 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.848 -4.395 3.807 1.00 2.57 C ATOM 1590 CG PHE A 113 -9.025 -3.600 2.536 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.226 -3.871 1.419 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.989 -2.586 2.475 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.391 -3.131 0.242 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -10.154 -1.845 1.299 1.00 2.77 C ATOM 1595 CZ PHE A 113 -9.355 -2.117 0.183 1.00 2.64 C ATOM 0 H PHE A 113 -9.267 -6.107 1.462 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.900 -6.462 4.393 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.440 -3.952 4.608 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.806 -4.362 4.125 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.481 -4.652 1.465 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -10.606 -2.376 3.336 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -7.775 -3.342 -0.620 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.898 -1.063 1.253 1.00 2.77 H new ATOM 0 HZ PHE A 113 -9.482 -1.545 -0.724 1.00 2.64 H new ATOM 1605 N THR A 114 -11.442 -5.638 4.645 1.00 1.53 N ATOM 1606 CA THR A 114 -12.929 -5.696 4.685 1.00 1.47 C ATOM 1607 C THR A 114 -13.503 -4.279 4.656 1.00 1.85 C ATOM 1608 O THR A 114 -13.221 -3.466 5.514 1.00 2.23 O ATOM 1609 CB THR A 114 -13.370 -6.399 5.970 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.408 -6.166 6.988 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.494 -7.902 5.716 1.00 2.22 C ATOM 0 H THR A 114 -10.995 -5.369 5.522 1.00 1.53 H new ATOM 0 HA THR A 114 -13.295 -6.248 3.819 1.00 1.47 H new ATOM 0 HB THR A 114 -14.337 -6.007 6.286 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.689 -6.614 7.813 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.808 -8.401 6.633 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.233 -8.079 4.935 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.529 -8.298 5.399 1.00 2.22 H new ATOM 1619 N SER A 115 -14.312 -3.979 3.677 1.00 2.24 N ATOM 1620 CA SER A 115 -14.912 -2.619 3.593 1.00 2.93 C ATOM 1621 C SER A 115 -15.506 -2.240 4.951 1.00 3.67 C ATOM 1622 O SER A 115 -16.045 -3.068 5.657 1.00 4.11 O ATOM 1623 CB SER A 115 -16.004 -2.616 2.523 1.00 3.21 C ATOM 1624 OG SER A 115 -17.061 -3.473 2.928 1.00 4.06 O ATOM 0 H SER A 115 -14.583 -4.619 2.931 1.00 2.24 H new ATOM 0 HA SER A 115 -14.146 -1.892 3.325 1.00 2.93 H new ATOM 0 HB2 SER A 115 -16.379 -1.604 2.373 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.595 -2.950 1.569 1.00 3.21 H new ATOM 0 HG SER A 115 -16.704 -4.188 3.495 1.00 4.06 H new ATOM 1630 N ASN A 116 -15.412 -0.991 5.320 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.971 -0.557 6.632 1.00 4.70 C ATOM 1632 C ASN A 116 -16.766 0.737 6.446 1.00 4.40 C ATOM 1633 O ASN A 116 -17.873 0.872 6.930 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.826 -0.313 7.618 1.00 5.27 C ATOM 1635 CG ASN A 116 -13.728 0.505 6.935 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -13.671 0.574 5.723 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -12.848 1.133 7.667 1.00 6.86 N ATOM 0 H ASN A 116 -14.973 -0.253 4.770 1.00 3.92 H new ATOM 0 HA ASN A 116 -16.628 -1.335 7.021 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -15.195 0.216 8.496 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.423 -1.264 7.965 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -12.112 1.682 7.222 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -12.896 1.075 8.684 1.00 6.86 H new ATOM 1644 N LEU A 117 -16.213 1.693 5.748 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.940 2.975 5.533 1.00 3.59 C ATOM 1646 C LEU A 117 -17.364 3.081 4.066 1.00 3.13 C ATOM 1647 O LEU A 117 -17.036 2.239 3.254 1.00 3.28 O ATOM 1648 CB LEU A 117 -16.025 4.148 5.888 1.00 3.83 C ATOM 1649 CG LEU A 117 -16.838 5.445 5.902 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.439 6.285 7.116 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -16.559 6.235 4.622 1.00 4.76 C ATOM 0 H LEU A 117 -15.290 1.640 5.318 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.825 3.002 6.169 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -15.567 3.983 6.863 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -15.214 4.223 5.163 1.00 3.83 H new ATOM 0 HG LEU A 117 -17.900 5.207 5.959 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -17.018 7.208 7.126 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.637 5.723 8.029 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.377 6.523 7.060 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -17.138 7.159 4.631 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.497 6.473 4.565 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -16.844 5.637 3.756 1.00 4.76 H new ATOM 1663 N THR A 118 -18.098 4.103 3.721 1.00 3.12 N ATOM 1664 CA THR A 118 -18.548 4.255 2.309 1.00 3.08 C ATOM 1665 C THR A 118 -17.553 5.123 1.537 1.00 3.13 C ATOM 1666 O THR A 118 -17.263 6.240 1.917 1.00 3.70 O ATOM 1667 CB THR A 118 -19.927 4.919 2.286 1.00 3.62 C ATOM 1668 OG1 THR A 118 -20.053 5.780 3.410 1.00 4.06 O ATOM 1669 CG2 THR A 118 -21.015 3.847 2.337 1.00 4.04 C ATOM 0 H THR A 118 -18.406 4.839 4.356 1.00 3.12 H new ATOM 0 HA THR A 118 -18.605 3.272 1.841 1.00 3.08 H new ATOM 0 HB THR A 118 -20.037 5.498 1.369 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.935 6.208 3.397 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.996 4.323 2.321 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.917 3.188 1.475 1.00 4.04 H new ATOM 0 HG23 THR A 118 -20.910 3.265 3.252 1.00 4.04 H new ATOM 1677 N PHE A 119 -17.030 4.619 0.452 1.00 2.76 N ATOM 1678 CA PHE A 119 -16.058 5.416 -0.348 1.00 3.07 C ATOM 1679 C PHE A 119 -16.415 5.305 -1.833 1.00 2.72 C ATOM 1680 O PHE A 119 -16.000 4.384 -2.508 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.644 4.874 -0.124 1.00 3.53 C ATOM 1682 CG PHE A 119 -14.239 5.086 1.315 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.228 6.376 1.859 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.873 3.990 2.105 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.851 6.570 3.193 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -13.497 4.184 3.440 1.00 5.33 C ATOM 1687 CZ PHE A 119 -13.486 5.474 3.984 1.00 5.44 C ATOM 0 H PHE A 119 -17.234 3.689 0.085 1.00 2.76 H new ATOM 0 HA PHE A 119 -16.099 6.460 -0.037 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -14.608 3.813 -0.369 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.942 5.378 -0.788 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.510 7.222 1.249 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -13.881 2.995 1.685 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.842 7.565 3.612 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -13.215 3.338 4.050 1.00 5.33 H new ATOM 0 HZ PHE A 119 -13.196 5.624 5.014 1.00 5.44 H new ATOM 1697 N PRO A 120 -17.182 6.235 -2.335 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.607 6.243 -3.762 1.00 2.86 C ATOM 1699 C PRO A 120 -16.514 6.781 -4.690 1.00 3.02 C ATOM 1700 O PRO A 120 -15.555 7.382 -4.249 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.822 7.170 -3.767 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.624 8.101 -2.615 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.731 7.385 -1.597 1.00 3.80 C ATOM 0 HA PRO A 120 -17.822 5.240 -4.130 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.892 7.719 -4.706 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.747 6.604 -3.659 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.160 9.030 -2.947 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.581 8.366 -2.167 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.938 8.039 -1.234 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.301 7.062 -0.726 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.662 6.565 -5.970 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.679 7.031 -6.987 1.00 3.45 C ATOM 1713 C PRO A 121 -15.856 8.515 -7.321 1.00 3.18 C ATOM 1714 O PRO A 121 -15.002 9.133 -7.924 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.996 6.169 -8.207 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.446 5.833 -8.086 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.788 5.851 -6.593 1.00 2.74 C ATOM 0 HA PRO A 121 -14.651 6.935 -6.638 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.793 6.708 -9.133 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -15.383 5.268 -8.222 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -18.056 6.555 -8.630 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -17.652 4.853 -8.517 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.733 6.361 -6.408 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.887 4.841 -6.196 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.964 9.087 -6.935 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.199 10.527 -7.231 1.00 2.65 C ATOM 1727 C ASP A 122 -17.126 11.334 -5.934 1.00 2.94 C ATOM 1728 O ASP A 122 -17.932 11.167 -5.040 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.583 10.698 -7.861 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.657 10.570 -6.779 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -20.071 9.454 -6.513 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -20.045 11.590 -6.234 1.00 3.56 O ATOM 0 H ASP A 122 -17.715 8.619 -6.428 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.437 10.884 -7.924 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.655 11.671 -8.346 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.738 9.944 -8.633 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.163 12.208 -5.823 1.00 2.81 N ATOM 1738 CA GLY A 123 -16.038 13.027 -4.583 1.00 3.57 C ATOM 1739 C GLY A 123 -14.682 13.733 -4.573 1.00 3.16 C ATOM 1740 O GLY A 123 -13.841 13.495 -5.417 1.00 3.47 O ATOM 0 H GLY A 123 -15.458 12.391 -6.537 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -16.842 13.761 -4.537 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -16.135 12.391 -3.703 1.00 3.57 H new ATOM 1744 N ASP A 124 -14.460 14.601 -3.624 1.00 2.78 N ATOM 1745 CA ASP A 124 -13.158 15.321 -3.562 1.00 2.58 C ATOM 1746 C ASP A 124 -12.080 14.381 -3.019 1.00 2.15 C ATOM 1747 O ASP A 124 -11.103 14.810 -2.437 1.00 2.31 O ATOM 1748 CB ASP A 124 -13.289 16.534 -2.638 1.00 3.01 C ATOM 1749 CG ASP A 124 -13.306 17.815 -3.474 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -12.240 18.243 -3.887 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -14.382 18.345 -3.688 1.00 3.51 O ATOM 0 H ASP A 124 -15.125 14.842 -2.889 1.00 2.78 H new ATOM 0 HA ASP A 124 -12.880 15.654 -4.562 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.204 16.459 -2.050 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -12.458 16.559 -1.933 1.00 3.01 H new ATOM 1756 N ALA A 125 -12.248 13.100 -3.204 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.233 12.135 -2.698 1.00 1.67 C ATOM 1758 C ALA A 125 -11.667 10.708 -3.042 1.00 1.39 C ATOM 1759 O ALA A 125 -12.102 9.960 -2.189 1.00 1.38 O ATOM 1760 CB ALA A 125 -11.107 12.276 -1.179 1.00 2.08 C ATOM 0 H ALA A 125 -13.044 12.681 -3.684 1.00 1.83 H new ATOM 0 HA ALA A 125 -10.270 12.344 -3.164 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.364 11.570 -0.808 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.797 13.291 -0.932 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -12.070 12.067 -0.713 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.548 10.338 -4.288 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.931 8.980 -4.766 1.00 1.14 C ATOM 1768 C PRO A 126 -10.908 7.914 -4.364 1.00 1.05 C ATOM 1769 O PRO A 126 -10.149 8.089 -3.433 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.976 9.131 -6.287 1.00 1.27 C ATOM 1771 CG PRO A 126 -11.050 10.258 -6.604 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.033 11.179 -5.381 1.00 1.39 C ATOM 0 HA PRO A 126 -12.875 8.649 -4.333 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.660 8.213 -6.782 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.988 9.346 -6.630 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -10.049 9.886 -6.821 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -11.388 10.798 -7.489 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.026 11.538 -5.167 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.659 12.058 -5.536 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.884 6.810 -5.059 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.911 5.735 -4.716 1.00 1.03 C ATOM 1782 C GLY A 127 -8.571 6.361 -4.329 1.00 1.09 C ATOM 1783 O GLY A 127 -8.309 7.513 -4.611 1.00 1.19 O ATOM 0 H GLY A 127 -11.496 6.606 -5.849 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.294 5.133 -3.892 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.779 5.065 -5.566 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.718 5.612 -3.686 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.395 6.168 -3.284 1.00 1.26 C ATOM 1789 C GLN A 128 -5.432 5.025 -2.959 1.00 1.11 C ATOM 1790 O GLN A 128 -5.690 4.207 -2.100 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.566 7.055 -2.050 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.531 8.183 -2.083 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.997 8.429 -0.671 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -5.655 7.961 0.355 1.00 2.01 O flip ATOM 1795 NE2 GLN A 128 -3.969 9.055 -0.498 1.00 1.99 N flip ATOM 0 H GLN A 128 -7.880 4.640 -3.422 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.990 6.760 -4.105 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.573 7.472 -2.026 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.444 6.462 -1.143 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.712 7.919 -2.752 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.983 9.094 -2.476 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -3.454 9.421 -1.299 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -3.622 9.214 0.448 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.320 4.971 -3.639 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.326 3.893 -3.373 1.00 0.91 C ATOM 1806 C VAL A 129 -1.926 4.461 -3.598 1.00 0.88 C ATOM 1807 O VAL A 129 -1.661 5.091 -4.603 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.567 2.721 -4.326 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.099 3.100 -5.732 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -2.784 1.498 -3.840 1.00 0.89 C ATOM 0 H VAL A 129 -4.056 5.630 -4.371 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.425 3.537 -2.347 1.00 0.91 H new ATOM 0 HB VAL A 129 -4.631 2.486 -4.349 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.271 2.264 -6.410 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -3.657 3.970 -6.079 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.035 3.336 -5.710 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -2.956 0.663 -4.519 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -1.720 1.733 -3.816 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -3.118 1.226 -2.839 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.029 4.268 -2.671 1.00 0.78 N ATOM 1821 CA ALA A 130 0.337 4.829 -2.851 1.00 0.85 C ATOM 1822 C ALA A 130 1.381 3.935 -2.184 1.00 0.75 C ATOM 1823 O ALA A 130 1.327 3.676 -0.997 1.00 0.73 O ATOM 1824 CB ALA A 130 0.390 6.221 -2.220 1.00 0.98 C ATOM 0 H ALA A 130 -1.181 3.751 -1.805 1.00 0.78 H new ATOM 0 HA ALA A 130 0.557 4.886 -3.917 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.388 6.640 -2.347 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.340 6.869 -2.705 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.160 6.148 -1.157 1.00 0.98 H new ATOM 1830 N PHE A 131 2.347 3.481 -2.935 1.00 0.75 N ATOM 1831 CA PHE A 131 3.412 2.629 -2.338 1.00 0.70 C ATOM 1832 C PHE A 131 4.497 3.554 -1.788 1.00 0.77 C ATOM 1833 O PHE A 131 5.093 4.318 -2.521 1.00 0.99 O ATOM 1834 CB PHE A 131 4.028 1.718 -3.406 1.00 0.70 C ATOM 1835 CG PHE A 131 3.010 0.729 -3.939 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.663 0.783 -3.544 1.00 1.49 C ATOM 1837 CD2 PHE A 131 3.429 -0.255 -4.845 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.747 -0.145 -4.055 1.00 1.73 C ATOM 1839 CE2 PHE A 131 2.511 -1.181 -5.354 1.00 1.54 C ATOM 1840 CZ PHE A 131 1.170 -1.127 -4.959 1.00 1.48 C ATOM 0 H PHE A 131 2.444 3.663 -3.934 1.00 0.75 H new ATOM 0 HA PHE A 131 2.989 2.006 -1.550 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.413 2.324 -4.226 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.875 1.179 -2.983 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.334 1.539 -2.847 1.00 1.49 H new ATOM 0 HD2 PHE A 131 4.464 -0.299 -5.151 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.288 -0.103 -3.751 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.838 -1.937 -6.052 1.00 1.54 H new ATOM 0 HZ PHE A 131 0.462 -1.842 -5.351 1.00 1.48 H new ATOM 1850 N HIS A 132 4.747 3.509 -0.509 1.00 0.82 N ATOM 1851 CA HIS A 132 5.783 4.407 0.076 1.00 0.96 C ATOM 1852 C HIS A 132 7.091 3.640 0.280 1.00 1.03 C ATOM 1853 O HIS A 132 7.109 2.554 0.826 1.00 1.41 O ATOM 1854 CB HIS A 132 5.291 4.940 1.423 1.00 1.41 C ATOM 1855 CG HIS A 132 4.496 6.198 1.205 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.340 6.474 1.917 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.677 7.264 0.358 1.00 1.88 C ATOM 1858 CE1 HIS A 132 2.873 7.661 1.492 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.650 8.187 0.541 1.00 2.32 N ATOM 0 H HIS A 132 4.281 2.891 0.155 1.00 0.82 H new ATOM 0 HA HIS A 132 5.961 5.238 -0.607 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.676 4.190 1.920 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.139 5.142 2.078 1.00 1.41 H new ATOM 0 HD2 HIS A 132 5.492 7.370 -0.343 1.00 1.88 H new ATOM 0 HE1 HIS A 132 1.979 8.132 1.873 1.00 1.96 H new ATOM 0 HE2 HIS A 132 3.519 9.074 0.054 1.00 2.32 H new ATOM 1867 N LEU A 133 8.187 4.205 -0.150 1.00 1.00 N ATOM 1868 CA LEU A 133 9.500 3.522 0.023 1.00 1.39 C ATOM 1869 C LEU A 133 10.526 4.532 0.543 1.00 1.62 C ATOM 1870 O LEU A 133 10.501 4.914 1.695 1.00 2.04 O ATOM 1871 CB LEU A 133 9.967 2.963 -1.325 1.00 1.58 C ATOM 1872 CG LEU A 133 8.940 1.956 -1.845 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.058 2.625 -2.900 1.00 1.52 C ATOM 1874 CD2 LEU A 133 9.668 0.766 -2.473 1.00 2.11 C ATOM 0 H LEU A 133 8.229 5.112 -0.615 1.00 1.00 H new ATOM 0 HA LEU A 133 9.398 2.704 0.736 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.092 3.774 -2.043 1.00 1.58 H new ATOM 0 HB3 LEU A 133 10.939 2.482 -1.214 1.00 1.58 H new ATOM 0 HG LEU A 133 8.320 1.610 -1.018 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.326 1.907 -3.271 1.00 1.52 H new ATOM 0 HD12 LEU A 133 7.540 3.475 -2.455 1.00 1.52 H new ATOM 0 HD13 LEU A 133 8.678 2.970 -3.727 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.937 0.047 -2.844 1.00 2.11 H new ATOM 0 HD22 LEU A 133 10.288 1.114 -3.300 1.00 2.11 H new ATOM 0 HD23 LEU A 133 10.298 0.288 -1.723 1.00 2.11 H new ATOM 1886 N GLY A 134 11.421 4.969 -0.302 1.00 1.46 N ATOM 1887 CA GLY A 134 12.449 5.961 0.133 1.00 1.77 C ATOM 1888 C GLY A 134 12.808 5.734 1.603 1.00 1.08 C ATOM 1889 O GLY A 134 12.117 6.181 2.498 1.00 0.83 O ATOM 0 H GLY A 134 11.485 4.681 -1.278 1.00 1.46 H new ATOM 0 HA2 GLY A 134 13.341 5.867 -0.486 1.00 1.77 H new ATOM 0 HA3 GLY A 134 12.070 6.974 -0.005 1.00 1.77 H new ATOM 1893 N LYS A 135 13.886 5.047 1.863 1.00 1.23 N ATOM 1894 CA LYS A 135 14.284 4.796 3.277 1.00 1.09 C ATOM 1895 C LYS A 135 15.808 4.761 3.389 1.00 1.32 C ATOM 1896 O LYS A 135 16.472 3.990 2.726 1.00 1.76 O ATOM 1897 CB LYS A 135 13.705 3.458 3.743 1.00 1.93 C ATOM 1898 CG LYS A 135 12.358 3.218 3.059 1.00 2.37 C ATOM 1899 CD LYS A 135 11.834 1.831 3.435 1.00 3.36 C ATOM 1900 CE LYS A 135 11.423 1.822 4.908 1.00 4.04 C ATOM 1901 NZ LYS A 135 10.117 1.118 5.054 1.00 5.06 N ATOM 0 H LYS A 135 14.508 4.649 1.159 1.00 1.23 H new ATOM 0 HA LYS A 135 13.897 5.598 3.906 1.00 1.09 H new ATOM 0 HB2 LYS A 135 14.395 2.649 3.505 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.579 3.462 4.826 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.643 3.983 3.362 1.00 2.37 H new ATOM 0 HG3 LYS A 135 12.469 3.296 1.977 1.00 2.37 H new ATOM 0 HD2 LYS A 135 10.982 1.570 2.807 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.603 1.080 3.257 1.00 3.36 H new ATOM 0 HE2 LYS A 135 12.186 1.324 5.507 1.00 4.04 H new ATOM 0 HE3 LYS A 135 11.342 2.843 5.280 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 9.836 1.111 6.055 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 9.392 1.611 4.495 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 10.210 0.140 4.714 1.00 5.06 H new ATOM 1915 N ALA A 136 16.371 5.587 4.230 1.00 1.56 N ATOM 1916 CA ALA A 136 17.851 5.587 4.385 1.00 1.90 C ATOM 1917 C ALA A 136 18.338 4.138 4.382 1.00 2.22 C ATOM 1918 O ALA A 136 19.492 3.855 4.127 1.00 2.64 O ATOM 1919 CB ALA A 136 18.230 6.253 5.709 1.00 2.27 C ATOM 0 H ALA A 136 15.871 6.258 4.813 1.00 1.56 H new ATOM 0 HA ALA A 136 18.313 6.139 3.567 1.00 1.90 H new ATOM 0 HB1 ALA A 136 19.314 6.252 5.820 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.866 7.280 5.717 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.780 5.702 6.535 1.00 2.27 H new ATOM 1925 N GLY A 137 17.453 3.220 4.658 1.00 2.17 N ATOM 1926 CA GLY A 137 17.842 1.782 4.668 1.00 2.51 C ATOM 1927 C GLY A 137 16.994 1.029 3.642 1.00 1.81 C ATOM 1928 O GLY A 137 16.948 -0.185 3.636 1.00 2.11 O ATOM 0 H GLY A 137 16.474 3.405 4.878 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.901 1.677 4.431 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.694 1.359 5.662 1.00 2.51 H new ATOM 1932 N ALA A 138 16.318 1.743 2.782 1.00 1.23 N ATOM 1933 CA ALA A 138 15.467 1.078 1.754 1.00 1.37 C ATOM 1934 C ALA A 138 16.280 0.028 0.991 1.00 1.13 C ATOM 1935 O ALA A 138 17.220 -0.543 1.506 1.00 1.41 O ATOM 1936 CB ALA A 138 14.945 2.126 0.770 1.00 2.32 C ATOM 0 H ALA A 138 16.319 2.762 2.748 1.00 1.23 H new ATOM 0 HA ALA A 138 14.630 0.588 2.252 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.323 1.641 0.018 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.353 2.867 1.308 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.786 2.618 0.282 1.00 2.32 H new ATOM 1942 N TYR A 139 15.916 -0.241 -0.232 1.00 0.82 N ATOM 1943 CA TYR A 139 16.658 -1.265 -1.020 1.00 0.75 C ATOM 1944 C TYR A 139 16.299 -1.123 -2.505 1.00 0.76 C ATOM 1945 O TYR A 139 16.328 -0.038 -3.052 1.00 0.83 O ATOM 1946 CB TYR A 139 16.265 -2.653 -0.505 1.00 0.74 C ATOM 1947 CG TYR A 139 14.762 -2.723 -0.367 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.145 -2.214 0.782 1.00 1.41 C ATOM 1949 CD2 TYR A 139 13.986 -3.285 -1.386 1.00 1.42 C ATOM 1950 CE1 TYR A 139 12.752 -2.267 0.912 1.00 1.42 C ATOM 1951 CE2 TYR A 139 12.593 -3.340 -1.256 1.00 1.61 C ATOM 1952 CZ TYR A 139 11.976 -2.831 -0.107 1.00 1.11 C ATOM 1953 OH TYR A 139 10.604 -2.882 0.019 1.00 1.32 O ATOM 0 H TYR A 139 15.138 0.203 -0.720 1.00 0.82 H new ATOM 0 HA TYR A 139 17.734 -1.128 -0.908 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.615 -3.422 -1.193 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.740 -2.845 0.457 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.744 -1.780 1.569 1.00 1.41 H new ATOM 0 HD2 TYR A 139 14.461 -3.677 -2.273 1.00 1.42 H new ATOM 0 HE1 TYR A 139 12.277 -1.873 1.798 1.00 1.42 H new ATOM 0 HE2 TYR A 139 11.994 -3.775 -2.042 1.00 1.61 H new ATOM 0 HH TYR A 139 10.202 -3.075 -0.854 1.00 1.32 H new ATOM 1963 N GLU A 140 15.960 -2.198 -3.165 1.00 0.80 N ATOM 1964 CA GLU A 140 15.601 -2.106 -4.608 1.00 0.87 C ATOM 1965 C GLU A 140 14.168 -2.607 -4.808 1.00 0.77 C ATOM 1966 O GLU A 140 13.814 -3.686 -4.373 1.00 0.73 O ATOM 1967 CB GLU A 140 16.562 -2.967 -5.431 1.00 1.13 C ATOM 1968 CG GLU A 140 17.780 -2.132 -5.831 1.00 0.93 C ATOM 1969 CD GLU A 140 18.821 -3.035 -6.497 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.022 -4.135 -6.008 1.00 1.65 O ATOM 1971 OE2 GLU A 140 19.399 -2.610 -7.484 1.00 1.25 O ATOM 0 H GLU A 140 15.916 -3.136 -2.766 1.00 0.80 H new ATOM 0 HA GLU A 140 15.674 -1.069 -4.935 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.877 -3.835 -4.851 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.058 -3.344 -6.321 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.481 -1.338 -6.515 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.209 -1.651 -4.952 1.00 0.93 H new ATOM 1978 N PHE A 141 13.341 -1.835 -5.458 1.00 0.77 N ATOM 1979 CA PHE A 141 11.931 -2.269 -5.677 1.00 0.75 C ATOM 1980 C PHE A 141 11.729 -2.640 -7.148 1.00 0.72 C ATOM 1981 O PHE A 141 11.761 -1.795 -8.018 1.00 0.73 O ATOM 1982 CB PHE A 141 10.988 -1.119 -5.307 1.00 0.79 C ATOM 1983 CG PHE A 141 9.641 -1.672 -4.906 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.540 -2.571 -3.838 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.492 -1.282 -5.604 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.290 -3.081 -3.468 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.242 -1.791 -5.233 1.00 1.68 C ATOM 1988 CZ PHE A 141 7.140 -2.690 -4.165 1.00 1.00 C ATOM 0 H PHE A 141 13.580 -0.923 -5.847 1.00 0.77 H new ATOM 0 HA PHE A 141 11.716 -3.137 -5.054 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.412 -0.538 -4.488 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.876 -0.441 -6.153 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.427 -2.871 -3.299 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.570 -0.589 -6.428 1.00 1.64 H new ATOM 0 HE1 PHE A 141 8.212 -3.776 -2.645 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.355 -1.490 -5.771 1.00 1.68 H new ATOM 0 HZ PHE A 141 6.175 -3.082 -3.879 1.00 1.00 H new ATOM 1998 N CYS A 142 11.525 -3.899 -7.434 1.00 0.70 N ATOM 1999 CA CYS A 142 11.328 -4.324 -8.850 1.00 0.68 C ATOM 2000 C CYS A 142 9.862 -4.695 -9.090 1.00 0.68 C ATOM 2001 O CYS A 142 9.473 -5.839 -8.966 1.00 0.74 O ATOM 2002 CB CYS A 142 12.208 -5.541 -9.141 1.00 0.68 C ATOM 2003 SG CYS A 142 13.826 -5.010 -9.765 1.00 0.72 S ATOM 0 H CYS A 142 11.486 -4.652 -6.747 1.00 0.70 H new ATOM 0 HA CYS A 142 11.602 -3.500 -9.509 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.336 -6.131 -8.234 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.721 -6.184 -9.874 1.00 0.68 H new ATOM 2008 N ILE A 143 9.050 -3.739 -9.451 1.00 0.83 N ATOM 2009 CA ILE A 143 7.616 -4.037 -9.719 1.00 0.89 C ATOM 2010 C ILE A 143 7.412 -4.165 -11.229 1.00 0.92 C ATOM 2011 O ILE A 143 7.914 -3.377 -12.005 1.00 0.91 O ATOM 2012 CB ILE A 143 6.747 -2.911 -9.144 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.969 -2.201 -10.258 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.637 -1.895 -8.429 1.00 0.92 C ATOM 2015 CD1 ILE A 143 5.207 -1.012 -9.670 1.00 1.22 C ATOM 0 H ILE A 143 9.319 -2.763 -9.572 1.00 0.83 H new ATOM 0 HA ILE A 143 7.326 -4.973 -9.242 1.00 0.89 H new ATOM 0 HB ILE A 143 6.036 -3.347 -8.442 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.654 -1.860 -11.034 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.273 -2.895 -10.730 1.00 1.11 H new ATOM 0 HG21 ILE A 143 7.020 -1.095 -8.020 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.174 -2.388 -7.619 1.00 0.92 H new ATOM 0 HG23 ILE A 143 8.352 -1.476 -9.137 1.00 0.92 H new ATOM 0 HD11 ILE A 143 4.654 -0.507 -10.462 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.511 -1.366 -8.910 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.913 -0.315 -9.219 1.00 1.22 H new ATOM 2027 N SER A 144 6.680 -5.157 -11.649 1.00 1.00 N ATOM 2028 CA SER A 144 6.444 -5.342 -13.107 1.00 1.07 C ATOM 2029 C SER A 144 4.943 -5.468 -13.364 1.00 1.14 C ATOM 2030 O SER A 144 4.507 -5.611 -14.490 1.00 1.33 O ATOM 2031 CB SER A 144 7.152 -6.614 -13.579 1.00 1.17 C ATOM 2032 OG SER A 144 6.464 -7.750 -13.072 1.00 1.28 O ATOM 0 H SER A 144 6.235 -5.848 -11.046 1.00 1.00 H new ATOM 0 HA SER A 144 6.836 -4.484 -13.653 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.178 -6.647 -14.668 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.186 -6.617 -13.235 1.00 1.17 H new ATOM 0 HG SER A 144 6.337 -7.651 -12.105 1.00 1.28 H new ATOM 2038 N GLN A 145 4.148 -5.417 -12.332 1.00 1.08 N ATOM 2039 CA GLN A 145 2.675 -5.537 -12.527 1.00 1.29 C ATOM 2040 C GLN A 145 1.938 -4.798 -11.409 1.00 1.38 C ATOM 2041 O GLN A 145 2.536 -4.306 -10.472 1.00 1.99 O ATOM 2042 CB GLN A 145 2.272 -7.014 -12.507 1.00 1.40 C ATOM 2043 CG GLN A 145 3.360 -7.854 -13.180 1.00 1.94 C ATOM 2044 CD GLN A 145 2.963 -9.330 -13.137 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.800 -9.656 -13.000 1.00 2.30 O ATOM 2046 NE2 GLN A 145 3.887 -10.245 -13.249 1.00 3.30 N ATOM 0 H GLN A 145 4.452 -5.298 -11.366 1.00 1.08 H new ATOM 0 HA GLN A 145 2.408 -5.097 -13.488 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.125 -7.347 -11.480 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.322 -7.149 -13.025 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.496 -7.533 -14.213 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.314 -7.708 -12.673 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.863 -9.973 -13.364 1.00 3.30 H new ATOM 0 HE22 GLN A 145 3.633 -11.232 -13.222 1.00 3.30 H new ATOM 2055 N VAL A 146 0.638 -4.722 -11.503 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.154 -4.021 -10.453 1.00 1.53 C ATOM 2057 C VAL A 146 -1.643 -4.146 -10.782 1.00 1.48 C ATOM 2058 O VAL A 146 -2.193 -3.353 -11.520 1.00 1.44 O ATOM 2059 CB VAL A 146 0.244 -2.544 -10.409 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.258 -1.836 -11.669 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.376 -1.889 -9.175 1.00 2.16 C ATOM 0 H VAL A 146 0.088 -5.117 -12.266 1.00 1.54 H new ATOM 0 HA VAL A 146 0.044 -4.472 -9.481 1.00 1.53 H new ATOM 0 HB VAL A 146 1.330 -2.463 -10.360 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.027 -0.785 -11.634 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.184 -2.303 -12.549 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.344 -1.916 -11.723 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.094 -0.837 -9.141 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.462 -1.972 -9.226 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.015 -2.390 -8.277 1.00 2.16 H new ATOM 2071 N SER A 147 -2.300 -5.142 -10.251 1.00 1.63 N ATOM 2072 CA SER A 147 -3.748 -5.314 -10.550 1.00 1.76 C ATOM 2073 C SER A 147 -4.587 -4.892 -9.342 1.00 2.04 C ATOM 2074 O SER A 147 -4.207 -5.092 -8.205 1.00 2.17 O ATOM 2075 CB SER A 147 -4.029 -6.782 -10.876 1.00 2.02 C ATOM 2076 OG SER A 147 -4.945 -7.307 -9.926 1.00 2.76 O ATOM 0 H SER A 147 -1.897 -5.840 -9.626 1.00 1.63 H new ATOM 0 HA SER A 147 -4.012 -4.690 -11.404 1.00 1.76 H new ATOM 0 HB2 SER A 147 -4.440 -6.871 -11.882 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.101 -7.354 -10.859 1.00 2.02 H new ATOM 0 HG SER A 147 -5.822 -6.888 -10.051 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.731 -4.312 -9.585 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.608 -3.877 -8.461 1.00 2.65 C ATOM 2084 C LEU A 148 -8.026 -4.399 -8.704 1.00 2.54 C ATOM 2085 O LEU A 148 -8.650 -4.083 -9.698 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.626 -2.346 -8.397 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.853 -1.871 -7.615 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -7.866 -2.521 -6.230 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.796 -0.348 -7.460 1.00 3.26 C ATOM 0 H LEU A 148 -6.097 -4.120 -10.517 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.229 -4.273 -7.519 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.716 -1.983 -7.919 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.644 -1.931 -9.405 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.757 -2.153 -8.155 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.741 -2.180 -5.676 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -7.904 -3.605 -6.337 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -6.962 -2.241 -5.688 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.669 -0.006 -6.903 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.890 -0.071 -6.921 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.789 0.118 -8.445 1.00 3.26 H new ATOM 2101 N THR A 149 -8.542 -5.197 -7.809 1.00 2.09 N ATOM 2102 CA THR A 149 -9.919 -5.733 -8.004 1.00 2.24 C ATOM 2103 C THR A 149 -10.501 -6.160 -6.655 1.00 1.93 C ATOM 2104 O THR A 149 -9.942 -5.885 -5.610 1.00 1.84 O ATOM 2105 CB THR A 149 -9.866 -6.942 -8.940 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.138 -7.574 -8.966 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.813 -7.932 -8.440 1.00 2.42 C ATOM 0 H THR A 149 -8.072 -5.500 -6.956 1.00 2.09 H new ATOM 0 HA THR A 149 -10.550 -4.959 -8.441 1.00 2.24 H new ATOM 0 HB THR A 149 -9.602 -6.612 -9.945 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.151 -8.253 -9.672 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.777 -8.793 -9.108 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.837 -7.446 -8.420 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.074 -8.264 -7.435 1.00 2.42 H new ATOM 2115 N THR A 150 -11.620 -6.831 -6.669 1.00 1.92 N ATOM 2116 CA THR A 150 -12.240 -7.277 -5.390 1.00 1.72 C ATOM 2117 C THR A 150 -12.803 -8.688 -5.562 1.00 1.75 C ATOM 2118 O THR A 150 -12.075 -9.660 -5.572 1.00 2.00 O ATOM 2119 CB THR A 150 -13.371 -6.318 -5.012 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.189 -6.924 -4.021 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.213 -6.003 -6.250 1.00 1.66 C ATOM 0 H THR A 150 -12.132 -7.090 -7.512 1.00 1.92 H new ATOM 0 HA THR A 150 -11.487 -7.280 -4.602 1.00 1.72 H new ATOM 0 HB THR A 150 -12.948 -5.393 -4.620 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.695 -6.977 -3.177 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.018 -5.320 -5.978 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.584 -5.539 -7.009 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.638 -6.926 -6.645 1.00 1.66 H new