USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 65 MET CE :methyl -118:sc= -2.32! (180deg=-6.16!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -175:sc= 0.039 (180deg=0.0375) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.557 X(o=-4,f=-3.8!) USER MOD Set 2.2: A 77 SER OG : rot 130:sc= -3.46! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.991 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.122 F(o=-0.78,f=0.12) USER MOD Single : A 30 THR OG1 : rot -160:sc= -1.37 USER MOD Single : A 35 THR OG1 : rot -130:sc= -0.936 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 91:sc= 0.376 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.411 K(o=-0.41,f=-6.2!) USER MOD Single : A 67 HIS : no HE2:sc= -0.108 X(o=-0.11,f=-0.32) USER MOD Single : A 71 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.23) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0955 F(o=-1,f=-0.095) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.544 13.003 2.092 1.00 0.00 N ATOM 60 CA GLY A 7 -1.946 11.706 1.827 1.00 0.00 C ATOM 61 C GLY A 7 -1.066 11.258 2.997 1.00 0.00 C ATOM 62 O GLY A 7 -0.176 11.992 3.424 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.730 10.969 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.349 11.756 0.917 1.00 0.00 H new ATOM 66 N LEU A 8 -1.346 10.057 3.481 1.00 0.00 N ATOM 67 CA LEU A 8 -0.591 9.504 4.592 1.00 0.00 C ATOM 68 C LEU A 8 0.164 8.260 4.120 1.00 0.00 C ATOM 69 O LEU A 8 -0.220 7.632 3.135 1.00 0.00 O ATOM 70 CB LEU A 8 -1.510 9.248 5.789 1.00 0.00 C ATOM 71 CG LEU A 8 -1.354 7.890 6.476 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.795 7.962 7.939 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.098 6.797 5.706 1.00 0.00 C ATOM 0 H LEU A 8 -2.085 9.452 3.124 1.00 0.00 H new ATOM 0 HA LEU A 8 0.155 10.218 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.336 10.029 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.543 9.348 5.456 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.297 7.624 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.674 6.984 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.184 8.693 8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.842 8.261 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.971 5.842 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.159 7.044 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.695 6.725 4.696 1.00 0.00 H new ATOM 85 N THR A 9 1.226 7.941 4.846 1.00 0.00 N ATOM 86 CA THR A 9 2.039 6.784 4.514 1.00 0.00 C ATOM 87 C THR A 9 1.867 5.690 5.570 1.00 0.00 C ATOM 88 O THR A 9 1.412 5.961 6.681 1.00 0.00 O ATOM 89 CB THR A 9 3.487 7.253 4.356 1.00 0.00 C ATOM 90 OG1 THR A 9 3.441 8.158 3.257 1.00 0.00 O ATOM 91 CG2 THR A 9 4.416 6.134 3.879 1.00 0.00 C ATOM 0 H THR A 9 1.542 8.464 5.663 1.00 0.00 H new ATOM 0 HA THR A 9 1.722 6.336 3.572 1.00 0.00 H new ATOM 0 HB THR A 9 3.848 7.644 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.339 8.512 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.431 6.520 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.404 5.318 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.075 5.766 2.911 1.00 0.00 H new ATOM 99 N VAL A 10 2.238 4.478 5.186 1.00 0.00 N ATOM 100 CA VAL A 10 2.130 3.342 6.086 1.00 0.00 C ATOM 101 C VAL A 10 3.402 2.497 5.990 1.00 0.00 C ATOM 102 O VAL A 10 4.050 2.462 4.944 1.00 0.00 O ATOM 103 CB VAL A 10 0.860 2.548 5.776 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.804 2.158 4.298 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.752 1.313 6.673 1.00 0.00 C ATOM 0 H VAL A 10 2.614 4.257 4.264 1.00 0.00 H new ATOM 0 HA VAL A 10 2.042 3.680 7.118 1.00 0.00 H new ATOM 0 HB VAL A 10 0.005 3.190 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.109 1.594 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.812 3.058 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.669 1.543 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.160 0.767 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.615 0.668 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.723 1.623 7.717 1.00 0.00 H new ATOM 115 N ASP A 11 3.722 1.838 7.093 1.00 0.00 N ATOM 116 CA ASP A 11 4.904 0.995 7.146 1.00 0.00 C ATOM 117 C ASP A 11 4.482 -0.455 7.392 1.00 0.00 C ATOM 118 O ASP A 11 4.225 -0.845 8.529 1.00 0.00 O ATOM 119 CB ASP A 11 5.831 1.418 8.288 1.00 0.00 C ATOM 120 CG ASP A 11 5.122 1.979 9.522 1.00 0.00 C ATOM 121 OD1 ASP A 11 4.451 1.176 10.205 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.268 3.199 9.754 1.00 0.00 O ATOM 0 H ASP A 11 3.183 1.871 7.958 1.00 0.00 H new ATOM 0 HA ASP A 11 5.431 1.094 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.427 0.557 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.525 2.170 7.913 1.00 0.00 H new ATOM 127 N VAL A 12 4.424 -1.213 6.307 1.00 0.00 N ATOM 128 CA VAL A 12 4.038 -2.611 6.390 1.00 0.00 C ATOM 129 C VAL A 12 5.296 -3.481 6.438 1.00 0.00 C ATOM 130 O VAL A 12 5.973 -3.655 5.425 1.00 0.00 O ATOM 131 CB VAL A 12 3.108 -2.967 5.229 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.464 -4.338 5.443 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.043 -1.887 5.028 1.00 0.00 C ATOM 0 H VAL A 12 4.638 -0.885 5.365 1.00 0.00 H new ATOM 0 HA VAL A 12 3.478 -2.799 7.306 1.00 0.00 H new ATOM 0 HB VAL A 12 3.710 -3.017 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.808 -4.567 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.242 -5.098 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.883 -4.327 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.395 -2.165 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.447 -1.790 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.527 -0.935 4.808 1.00 0.00 H new ATOM 143 N ALA A 13 5.570 -4.004 7.623 1.00 0.00 N ATOM 144 CA ALA A 13 6.734 -4.852 7.816 1.00 0.00 C ATOM 145 C ALA A 13 6.319 -6.319 7.686 1.00 0.00 C ATOM 146 O ALA A 13 5.694 -6.873 8.589 1.00 0.00 O ATOM 147 CB ALA A 13 7.371 -4.545 9.173 1.00 0.00 C ATOM 0 H ALA A 13 5.006 -3.857 8.460 1.00 0.00 H new ATOM 0 HA ALA A 13 7.484 -4.652 7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.244 -5.181 9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.675 -3.499 9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.648 -4.736 9.966 1.00 0.00 H new ATOM 153 N GLY A 14 6.683 -6.906 6.555 1.00 0.00 N ATOM 154 CA GLY A 14 6.355 -8.297 6.295 1.00 0.00 C ATOM 155 C GLY A 14 7.399 -9.230 6.912 1.00 0.00 C ATOM 156 O GLY A 14 7.425 -9.421 8.127 1.00 0.00 O ATOM 0 H GLY A 14 7.202 -6.443 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.371 -8.525 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.300 -8.467 5.220 1.00 0.00 H new ATOM 160 N PRO A 15 8.256 -9.802 6.025 1.00 0.00 N ATOM 161 CA PRO A 15 8.157 -9.522 4.602 1.00 0.00 C ATOM 162 C PRO A 15 6.968 -10.258 3.981 1.00 0.00 C ATOM 163 O PRO A 15 6.279 -11.017 4.660 1.00 0.00 O ATOM 164 CB PRO A 15 9.493 -9.955 4.022 1.00 0.00 C ATOM 165 CG PRO A 15 10.113 -10.886 5.052 1.00 0.00 C ATOM 166 CD PRO A 15 9.339 -10.726 6.350 1.00 0.00 C ATOM 0 HA PRO A 15 7.970 -8.469 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.358 -10.463 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.136 -9.094 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.071 -11.919 4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.165 -10.643 5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.951 -11.683 6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.973 -10.329 7.143 1.00 0.00 H new ATOM 174 N ALA A 16 6.764 -10.006 2.696 1.00 0.00 N ATOM 175 CA ALA A 16 5.670 -10.635 1.975 1.00 0.00 C ATOM 176 C ALA A 16 5.536 -12.090 2.429 1.00 0.00 C ATOM 177 O ALA A 16 6.488 -12.674 2.943 1.00 0.00 O ATOM 178 CB ALA A 16 5.914 -10.514 0.469 1.00 0.00 C ATOM 0 H ALA A 16 7.337 -9.375 2.136 1.00 0.00 H new ATOM 0 HA ALA A 16 4.727 -10.133 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.093 -10.986 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.972 -9.461 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.850 -11.009 0.211 1.00 0.00 H new ATOM 184 N PRO A 17 4.314 -12.648 2.216 1.00 0.00 N ATOM 185 CA PRO A 17 3.240 -11.887 1.601 1.00 0.00 C ATOM 186 C PRO A 17 2.647 -10.880 2.589 1.00 0.00 C ATOM 187 O PRO A 17 2.946 -10.924 3.781 1.00 0.00 O ATOM 188 CB PRO A 17 2.234 -12.928 1.139 1.00 0.00 C ATOM 189 CG PRO A 17 2.555 -14.193 1.919 1.00 0.00 C ATOM 190 CD PRO A 17 3.924 -14.014 2.555 1.00 0.00 C ATOM 0 HA PRO A 17 3.581 -11.282 0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.213 -12.598 1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.315 -13.100 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.799 -14.372 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.551 -15.060 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.881 -14.157 3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.639 -14.738 2.166 1.00 0.00 H new ATOM 198 N TRP A 18 1.816 -9.996 2.056 1.00 0.00 N ATOM 199 CA TRP A 18 1.179 -8.979 2.875 1.00 0.00 C ATOM 200 C TRP A 18 -0.198 -9.502 3.290 1.00 0.00 C ATOM 201 O TRP A 18 -0.437 -9.765 4.468 1.00 0.00 O ATOM 202 CB TRP A 18 1.112 -7.641 2.136 1.00 0.00 C ATOM 203 CG TRP A 18 2.451 -7.186 1.552 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.815 -7.136 0.264 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.597 -6.715 2.293 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.106 -6.669 0.120 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.596 -6.405 1.394 1.00 0.00 C ATOM 208 CE3 TRP A 18 3.782 -6.555 3.678 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.850 -5.917 1.780 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.041 -6.067 4.047 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.058 -5.750 3.154 1.00 0.00 C ATOM 0 H TRP A 18 1.569 -9.963 1.067 1.00 0.00 H new ATOM 0 HA TRP A 18 1.764 -8.785 3.774 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.383 -7.719 1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.748 -6.876 2.822 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.178 -7.425 -0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.608 -6.541 -0.759 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.014 -6.790 4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.616 -5.682 1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.236 -5.927 5.100 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.004 -5.377 3.518 1.00 0.00 H new ATOM 222 N GLY A 19 -1.068 -9.636 2.300 1.00 0.00 N ATOM 223 CA GLY A 19 -2.415 -10.122 2.547 1.00 0.00 C ATOM 224 C GLY A 19 -3.455 -9.057 2.198 1.00 0.00 C ATOM 225 O GLY A 19 -4.447 -8.896 2.908 1.00 0.00 O ATOM 0 H GLY A 19 -0.866 -9.416 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.596 -11.019 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.517 -10.405 3.595 1.00 0.00 H new ATOM 229 N PHE A 20 -3.193 -8.355 1.105 1.00 0.00 N ATOM 230 CA PHE A 20 -4.095 -7.309 0.653 1.00 0.00 C ATOM 231 C PHE A 20 -4.149 -7.254 -0.875 1.00 0.00 C ATOM 232 O PHE A 20 -3.154 -7.527 -1.545 1.00 0.00 O ATOM 233 CB PHE A 20 -3.542 -5.984 1.180 1.00 0.00 C ATOM 234 CG PHE A 20 -2.272 -5.513 0.470 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.352 -4.950 -0.766 1.00 0.00 C ATOM 236 CD2 PHE A 20 -1.062 -5.657 1.074 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.173 -4.513 -1.425 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.118 -5.219 0.415 1.00 0.00 C ATOM 239 CZ PHE A 20 0.037 -4.657 -0.821 1.00 0.00 C ATOM 0 H PHE A 20 -2.369 -8.490 0.519 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.103 -7.503 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.309 -5.216 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.334 -6.087 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.313 -4.836 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.998 -6.104 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.237 -4.066 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.079 -5.332 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.934 -4.325 -1.323 1.00 0.00 H new ATOM 249 N ARG A 21 -5.320 -6.899 -1.382 1.00 0.00 N ATOM 250 CA ARG A 21 -5.517 -6.805 -2.818 1.00 0.00 C ATOM 251 C ARG A 21 -5.580 -5.338 -3.250 1.00 0.00 C ATOM 252 O ARG A 21 -5.514 -4.438 -2.415 1.00 0.00 O ATOM 253 CB ARG A 21 -6.805 -7.511 -3.246 1.00 0.00 C ATOM 254 CG ARG A 21 -6.642 -9.031 -3.188 1.00 0.00 C ATOM 255 CD ARG A 21 -7.982 -9.735 -3.409 1.00 0.00 C ATOM 256 NE ARG A 21 -7.787 -10.948 -4.235 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.379 -10.929 -5.511 1.00 0.00 C ATOM 258 NH1 ARG A 21 -7.119 -9.761 -6.115 1.00 0.00 N ATOM 259 NH2 ARG A 21 -7.229 -12.079 -6.183 1.00 0.00 N ATOM 0 H ARG A 21 -6.143 -6.673 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.671 -7.294 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.625 -7.205 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.070 -7.208 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.929 -9.353 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.231 -9.320 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.423 -10.006 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.681 -9.058 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.975 -11.854 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.232 -8.886 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.808 -9.747 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.425 -12.968 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.918 -12.065 -7.154 1.00 0.00 H new ATOM 273 N ILE A 22 -5.707 -5.144 -4.555 1.00 0.00 N ATOM 274 CA ILE A 22 -5.780 -3.802 -5.108 1.00 0.00 C ATOM 275 C ILE A 22 -6.675 -3.814 -6.348 1.00 0.00 C ATOM 276 O ILE A 22 -7.135 -4.872 -6.776 1.00 0.00 O ATOM 277 CB ILE A 22 -4.376 -3.253 -5.368 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.635 -4.108 -6.399 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.588 -3.119 -4.063 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.585 -3.281 -7.144 1.00 0.00 C ATOM 0 H ILE A 22 -5.761 -5.893 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.237 -3.119 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.474 -2.252 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.154 -4.949 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.348 -4.524 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.594 -2.727 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.110 -2.438 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.498 -4.097 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.073 -3.912 -7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.073 -2.455 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.860 -2.886 -6.432 1.00 0.00 H new ATOM 292 N SER A 23 -6.896 -2.626 -6.891 1.00 0.00 N ATOM 293 CA SER A 23 -7.728 -2.486 -8.074 1.00 0.00 C ATOM 294 C SER A 23 -7.256 -1.294 -8.908 1.00 0.00 C ATOM 295 O SER A 23 -6.293 -0.621 -8.546 1.00 0.00 O ATOM 296 CB SER A 23 -9.201 -2.318 -7.694 1.00 0.00 C ATOM 297 OG SER A 23 -10.057 -3.114 -8.510 1.00 0.00 O ATOM 0 H SER A 23 -6.513 -1.751 -6.533 1.00 0.00 H new ATOM 0 HA SER A 23 -7.635 -3.396 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.339 -2.592 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.482 -1.269 -7.788 1.00 0.00 H new ATOM 0 HG SER A 23 -10.988 -2.980 -8.235 1.00 0.00 H new ATOM 303 N GLY A 24 -7.956 -1.070 -10.010 1.00 0.00 N ATOM 304 CA GLY A 24 -7.621 0.030 -10.899 1.00 0.00 C ATOM 305 C GLY A 24 -6.181 -0.091 -11.401 1.00 0.00 C ATOM 306 O GLY A 24 -5.719 -1.187 -11.717 1.00 0.00 O ATOM 0 H GLY A 24 -8.754 -1.631 -10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.306 0.039 -11.747 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.749 0.977 -10.376 1.00 0.00 H new ATOM 310 N GLY A 25 -5.510 1.050 -11.460 1.00 0.00 N ATOM 311 CA GLY A 25 -4.132 1.086 -11.919 1.00 0.00 C ATOM 312 C GLY A 25 -4.023 1.788 -13.273 1.00 0.00 C ATOM 313 O GLY A 25 -5.000 1.867 -14.017 1.00 0.00 O ATOM 0 H GLY A 25 -5.896 1.957 -11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.514 1.605 -11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.745 0.070 -12.000 1.00 0.00 H new ATOM 317 N ARG A 26 -2.825 2.281 -13.554 1.00 0.00 N ATOM 318 CA ARG A 26 -2.575 2.974 -14.806 1.00 0.00 C ATOM 319 C ARG A 26 -3.245 2.233 -15.966 1.00 0.00 C ATOM 320 O ARG A 26 -3.793 2.858 -16.872 1.00 0.00 O ATOM 321 CB ARG A 26 -1.075 3.089 -15.082 1.00 0.00 C ATOM 322 CG ARG A 26 -0.816 3.740 -16.443 1.00 0.00 C ATOM 323 CD ARG A 26 -1.081 5.246 -16.389 1.00 0.00 C ATOM 324 NE ARG A 26 -2.076 5.622 -17.418 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.430 6.885 -17.695 1.00 0.00 C ATOM 326 NH1 ARG A 26 -1.873 7.900 -17.021 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.341 7.132 -18.646 1.00 0.00 N ATOM 0 H ARG A 26 -2.017 2.214 -12.935 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.995 3.976 -14.720 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.601 3.678 -14.297 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.620 2.099 -15.056 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.215 3.559 -16.746 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.455 3.281 -17.197 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.445 5.524 -15.400 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.152 5.793 -16.552 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.520 4.873 -17.950 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.180 7.712 -16.297 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.142 8.861 -17.232 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.765 6.359 -19.159 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.610 8.093 -18.857 1.00 0.00 H new ATOM 341 N ASP A 27 -3.178 0.911 -15.899 1.00 0.00 N ATOM 342 CA ASP A 27 -3.771 0.079 -16.931 1.00 0.00 C ATOM 343 C ASP A 27 -5.242 0.462 -17.108 1.00 0.00 C ATOM 344 O ASP A 27 -5.675 0.782 -18.214 1.00 0.00 O ATOM 345 CB ASP A 27 -3.711 -1.401 -16.548 1.00 0.00 C ATOM 346 CG ASP A 27 -3.305 -2.346 -17.680 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.728 -2.076 -18.825 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.581 -3.319 -17.375 1.00 0.00 O ATOM 0 H ASP A 27 -2.722 0.396 -15.146 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.211 0.236 -17.853 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.006 -1.520 -15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.689 -1.704 -16.175 1.00 0.00 H new ATOM 353 N PHE A 28 -5.969 0.417 -16.001 1.00 0.00 N ATOM 354 CA PHE A 28 -7.381 0.756 -16.020 1.00 0.00 C ATOM 355 C PHE A 28 -7.584 2.269 -15.916 1.00 0.00 C ATOM 356 O PHE A 28 -8.697 2.735 -15.676 1.00 0.00 O ATOM 357 CB PHE A 28 -8.018 0.084 -14.802 1.00 0.00 C ATOM 358 CG PHE A 28 -8.141 -1.437 -14.924 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.243 -1.986 -15.501 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.148 -2.239 -14.454 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.357 -3.397 -15.614 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.261 -3.649 -14.567 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.363 -4.199 -15.145 1.00 0.00 C ATOM 0 H PHE A 28 -5.606 0.151 -15.086 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.832 0.419 -16.954 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.426 0.321 -13.918 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.010 0.507 -14.644 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.032 -1.349 -15.873 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.273 -1.803 -13.995 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.232 -3.833 -16.072 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.472 -4.286 -14.194 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.449 -5.272 -15.232 1.00 0.00 H new ATOM 373 N HIS A 29 -6.491 2.994 -16.102 1.00 0.00 N ATOM 374 CA HIS A 29 -6.534 4.445 -16.032 1.00 0.00 C ATOM 375 C HIS A 29 -7.174 4.877 -14.711 1.00 0.00 C ATOM 376 O HIS A 29 -7.867 5.891 -14.655 1.00 0.00 O ATOM 377 CB HIS A 29 -7.248 5.026 -17.254 1.00 0.00 C ATOM 378 CG HIS A 29 -6.482 4.868 -18.546 1.00 0.00 C ATOM 379 ND1 HIS A 29 -5.642 3.880 -18.968 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.539 5.798 -19.569 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -5.210 4.189 -20.185 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -5.764 5.378 -20.559 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.570 2.604 -16.301 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.520 4.844 -16.051 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.219 4.543 -17.358 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.436 6.086 -17.082 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -5.389 3.046 -18.439 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.117 6.711 -19.562 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.532 3.596 -20.781 1.00 0.00 H new ATOM 390 N THR A 30 -6.919 4.084 -13.680 1.00 0.00 N ATOM 391 CA THR A 30 -7.461 4.371 -12.363 1.00 0.00 C ATOM 392 C THR A 30 -6.371 4.238 -11.297 1.00 0.00 C ATOM 393 O THR A 30 -5.353 3.587 -11.524 1.00 0.00 O ATOM 394 CB THR A 30 -8.655 3.444 -12.131 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.229 2.191 -12.659 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.864 3.819 -12.990 1.00 0.00 C ATOM 0 H THR A 30 -6.344 3.243 -13.731 1.00 0.00 H new ATOM 0 HA THR A 30 -7.813 5.400 -12.296 1.00 0.00 H new ATOM 0 HB THR A 30 -8.936 3.471 -11.078 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.012 1.631 -12.845 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.683 3.129 -12.786 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.178 4.835 -12.753 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.594 3.760 -14.044 1.00 0.00 H new ATOM 404 N PRO A 31 -6.630 4.882 -10.127 1.00 0.00 N ATOM 405 CA PRO A 31 -5.683 4.841 -9.026 1.00 0.00 C ATOM 406 C PRO A 31 -5.716 3.482 -8.325 1.00 0.00 C ATOM 407 O PRO A 31 -6.774 2.868 -8.201 1.00 0.00 O ATOM 408 CB PRO A 31 -6.089 5.989 -8.116 1.00 0.00 C ATOM 409 CG PRO A 31 -7.519 6.336 -8.496 1.00 0.00 C ATOM 410 CD PRO A 31 -7.825 5.662 -9.824 1.00 0.00 C ATOM 0 HA PRO A 31 -4.650 4.956 -9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.023 5.698 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.430 6.847 -8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.212 5.995 -7.726 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.641 7.416 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.706 5.024 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.027 6.396 -10.604 1.00 0.00 H new ATOM 418 N ILE A 32 -4.543 3.051 -7.884 1.00 0.00 N ATOM 419 CA ILE A 32 -4.423 1.775 -7.199 1.00 0.00 C ATOM 420 C ILE A 32 -5.164 1.848 -5.862 1.00 0.00 C ATOM 421 O ILE A 32 -4.686 2.473 -4.916 1.00 0.00 O ATOM 422 CB ILE A 32 -2.953 1.374 -7.066 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.257 1.383 -8.428 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.815 0.023 -6.360 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.359 0.014 -9.105 1.00 0.00 C ATOM 0 H ILE A 32 -3.667 3.563 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.893 0.984 -7.783 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.452 2.115 -6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.708 2.143 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.209 1.654 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.760 -0.239 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.251 0.087 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.335 -0.743 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.856 0.048 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.885 -0.739 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.408 -0.243 -9.251 1.00 0.00 H new ATOM 437 N ILE A 33 -6.320 1.201 -5.826 1.00 0.00 N ATOM 438 CA ILE A 33 -7.131 1.185 -4.621 1.00 0.00 C ATOM 439 C ILE A 33 -7.159 -0.234 -4.049 1.00 0.00 C ATOM 440 O ILE A 33 -7.137 -1.210 -4.798 1.00 0.00 O ATOM 441 CB ILE A 33 -8.520 1.761 -4.903 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.440 3.257 -5.213 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.481 1.466 -3.749 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.264 3.604 -6.455 1.00 0.00 C ATOM 0 H ILE A 33 -6.714 0.684 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.693 1.828 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.920 1.269 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.804 3.829 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.400 3.545 -5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.461 1.886 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.570 0.388 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.097 1.914 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.190 4.673 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.882 3.049 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.307 3.338 -6.286 1.00 0.00 H new ATOM 456 N VAL A 34 -7.207 -0.304 -2.727 1.00 0.00 N ATOM 457 CA VAL A 34 -7.238 -1.587 -2.046 1.00 0.00 C ATOM 458 C VAL A 34 -8.675 -2.112 -2.020 1.00 0.00 C ATOM 459 O VAL A 34 -9.583 -1.421 -1.560 1.00 0.00 O ATOM 460 CB VAL A 34 -6.625 -1.454 -0.651 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.769 -2.757 0.139 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.159 -1.024 -0.735 1.00 0.00 C ATOM 0 H VAL A 34 -7.225 0.507 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.635 -2.319 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.173 -0.677 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.325 -2.635 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.825 -3.004 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.259 -3.562 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.747 -0.937 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.593 -1.768 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.091 -0.060 -1.240 1.00 0.00 H new ATOM 472 N THR A 35 -8.836 -3.328 -2.519 1.00 0.00 N ATOM 473 CA THR A 35 -10.148 -3.953 -2.559 1.00 0.00 C ATOM 474 C THR A 35 -10.482 -4.577 -1.202 1.00 0.00 C ATOM 475 O THR A 35 -11.507 -4.255 -0.603 1.00 0.00 O ATOM 476 CB THR A 35 -10.157 -4.961 -3.710 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.866 -5.563 -3.654 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.193 -4.283 -5.081 1.00 0.00 C ATOM 0 H THR A 35 -8.080 -3.898 -2.899 1.00 0.00 H new ATOM 0 HA THR A 35 -10.931 -3.218 -2.746 1.00 0.00 H new ATOM 0 HB THR A 35 -11.019 -5.621 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.458 -5.546 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.198 -5.043 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.093 -3.673 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.314 -3.649 -5.197 1.00 0.00 H new ATOM 486 N LYS A 36 -9.599 -5.459 -0.759 1.00 0.00 N ATOM 487 CA LYS A 36 -9.788 -6.131 0.516 1.00 0.00 C ATOM 488 C LYS A 36 -8.422 -6.461 1.121 1.00 0.00 C ATOM 489 O LYS A 36 -7.474 -6.762 0.396 1.00 0.00 O ATOM 490 CB LYS A 36 -10.697 -7.350 0.349 1.00 0.00 C ATOM 491 CG LYS A 36 -12.027 -7.146 1.078 1.00 0.00 C ATOM 492 CD LYS A 36 -12.730 -8.483 1.320 1.00 0.00 C ATOM 493 CE LYS A 36 -14.009 -8.289 2.137 1.00 0.00 C ATOM 494 NZ LYS A 36 -14.840 -9.513 2.096 1.00 0.00 N ATOM 0 H LYS A 36 -8.751 -5.724 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.299 -5.475 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.882 -7.528 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.197 -8.237 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.851 -6.646 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.672 -6.493 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.971 -8.949 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.058 -9.162 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.755 -8.049 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.575 -7.445 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.704 -9.365 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.097 -9.725 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.303 -10.310 2.493 1.00 0.00 H new ATOM 508 N VAL A 37 -8.364 -6.393 2.443 1.00 0.00 N ATOM 509 CA VAL A 37 -7.129 -6.680 3.153 1.00 0.00 C ATOM 510 C VAL A 37 -7.390 -7.763 4.202 1.00 0.00 C ATOM 511 O VAL A 37 -8.252 -7.602 5.065 1.00 0.00 O ATOM 512 CB VAL A 37 -6.558 -5.393 3.752 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.912 -4.182 2.887 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.038 -5.198 5.192 1.00 0.00 C ATOM 0 H VAL A 37 -9.152 -6.143 3.041 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.375 -7.066 2.467 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.472 -5.485 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.494 -3.280 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.499 -4.316 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.996 -4.086 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.618 -4.276 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.126 -5.138 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.713 -6.041 5.801 1.00 0.00 H new ATOM 524 N THR A 38 -6.631 -8.843 4.093 1.00 0.00 N ATOM 525 CA THR A 38 -6.769 -9.952 5.022 1.00 0.00 C ATOM 526 C THR A 38 -6.776 -9.443 6.464 1.00 0.00 C ATOM 527 O THR A 38 -5.977 -8.581 6.826 1.00 0.00 O ATOM 528 CB THR A 38 -5.646 -10.951 4.736 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.849 -11.322 3.375 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.816 -12.261 5.508 1.00 0.00 C ATOM 0 H THR A 38 -5.918 -8.974 3.375 1.00 0.00 H new ATOM 0 HA THR A 38 -7.722 -10.464 4.887 1.00 0.00 H new ATOM 0 HB THR A 38 -4.687 -10.501 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.335 -10.724 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.993 -12.934 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.817 -12.055 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.760 -12.729 5.228 1.00 0.00 H new ATOM 606 N ALA A 43 -0.791 -6.615 6.390 1.00 0.00 N ATOM 607 CA ALA A 43 -1.242 -5.279 6.037 1.00 0.00 C ATOM 608 C ALA A 43 -1.996 -4.671 7.221 1.00 0.00 C ATOM 609 O ALA A 43 -1.494 -3.762 7.881 1.00 0.00 O ATOM 610 CB ALA A 43 -2.099 -5.347 4.772 1.00 0.00 C ATOM 0 HA ALA A 43 -0.392 -4.632 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.437 -4.345 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.508 -5.758 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.964 -5.986 4.952 1.00 0.00 H new ATOM 616 N GLU A 44 -3.189 -5.196 7.455 1.00 0.00 N ATOM 617 CA GLU A 44 -4.018 -4.716 8.548 1.00 0.00 C ATOM 618 C GLU A 44 -3.157 -4.429 9.779 1.00 0.00 C ATOM 619 O GLU A 44 -3.390 -3.452 10.490 1.00 0.00 O ATOM 620 CB GLU A 44 -5.127 -5.718 8.875 1.00 0.00 C ATOM 621 CG GLU A 44 -5.955 -5.247 10.073 1.00 0.00 C ATOM 622 CD GLU A 44 -5.684 -6.116 11.302 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.523 -6.558 11.441 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.645 -6.320 12.076 1.00 0.00 O ATOM 0 H GLU A 44 -3.602 -5.950 6.906 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.494 -3.786 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.775 -5.845 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.689 -6.693 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.716 -4.208 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.015 -5.284 9.824 1.00 0.00 H new ATOM 631 N ALA A 45 -2.181 -5.298 9.995 1.00 0.00 N ATOM 632 CA ALA A 45 -1.284 -5.150 11.129 1.00 0.00 C ATOM 633 C ALA A 45 -0.764 -3.712 11.178 1.00 0.00 C ATOM 634 O ALA A 45 -0.879 -3.041 12.203 1.00 0.00 O ATOM 635 CB ALA A 45 -0.153 -6.175 11.023 1.00 0.00 C ATOM 0 H ALA A 45 -1.991 -6.107 9.404 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.812 -5.342 12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.520 -6.064 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.573 -7.181 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.401 -6.011 10.099 1.00 0.00 H new ATOM 641 N ALA A 46 -0.203 -3.280 10.058 1.00 0.00 N ATOM 642 CA ALA A 46 0.334 -1.934 9.960 1.00 0.00 C ATOM 643 C ALA A 46 -0.807 -0.923 10.088 1.00 0.00 C ATOM 644 O ALA A 46 -1.159 -0.515 11.193 1.00 0.00 O ATOM 645 CB ALA A 46 1.101 -1.785 8.645 1.00 0.00 C ATOM 0 H ALA A 46 -0.109 -3.839 9.210 1.00 0.00 H new ATOM 0 HA ALA A 46 1.037 -1.741 10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.504 -0.775 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.919 -2.505 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.427 -1.969 7.808 1.00 0.00 H new ATOM 651 N ASP A 47 -1.354 -0.549 8.941 1.00 0.00 N ATOM 652 CA ASP A 47 -2.448 0.407 8.910 1.00 0.00 C ATOM 653 C ASP A 47 -3.029 0.465 7.496 1.00 0.00 C ATOM 654 O ASP A 47 -3.482 1.518 7.050 1.00 0.00 O ATOM 655 CB ASP A 47 -1.965 1.810 9.281 1.00 0.00 C ATOM 656 CG ASP A 47 -1.886 2.091 10.783 1.00 0.00 C ATOM 657 OD1 ASP A 47 -2.668 1.453 11.521 1.00 0.00 O ATOM 658 OD2 ASP A 47 -1.046 2.937 11.158 1.00 0.00 O ATOM 0 H ASP A 47 -1.060 -0.891 8.026 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.199 0.083 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.978 1.965 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.633 2.540 8.825 1.00 0.00 H new ATOM 663 N LEU A 48 -2.997 -0.680 6.829 1.00 0.00 N ATOM 664 CA LEU A 48 -3.515 -0.772 5.475 1.00 0.00 C ATOM 665 C LEU A 48 -4.975 -1.226 5.522 1.00 0.00 C ATOM 666 O LEU A 48 -5.349 -2.042 6.363 1.00 0.00 O ATOM 667 CB LEU A 48 -2.619 -1.669 4.619 1.00 0.00 C ATOM 668 CG LEU A 48 -2.913 -1.674 3.117 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.571 -0.322 2.488 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.192 -2.830 2.421 1.00 0.00 C ATOM 0 H LEU A 48 -2.620 -1.552 7.202 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.501 0.206 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.584 -1.361 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.702 -2.691 4.989 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.982 -1.832 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.789 -0.352 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.168 0.460 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.512 -0.109 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.418 -2.810 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.117 -2.728 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.527 -3.776 2.846 1.00 0.00 H new ATOM 682 N ARG A 49 -5.762 -0.678 4.606 1.00 0.00 N ATOM 683 CA ARG A 49 -7.173 -1.017 4.533 1.00 0.00 C ATOM 684 C ARG A 49 -7.682 -0.859 3.099 1.00 0.00 C ATOM 685 O ARG A 49 -7.083 -0.142 2.298 1.00 0.00 O ATOM 686 CB ARG A 49 -8.002 -0.128 5.462 1.00 0.00 C ATOM 687 CG ARG A 49 -8.254 -0.821 6.802 1.00 0.00 C ATOM 688 CD ARG A 49 -7.767 0.044 7.967 1.00 0.00 C ATOM 689 NE ARG A 49 -7.738 -0.755 9.212 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.830 -1.100 9.909 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.043 -0.718 9.486 1.00 0.00 N ATOM 692 NH2 ARG A 49 -8.708 -1.826 11.029 1.00 0.00 N ATOM 0 H ARG A 49 -5.449 -0.002 3.909 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.282 -2.054 4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.482 0.815 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.954 0.112 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.319 -1.024 6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.742 -1.783 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.772 0.433 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.425 0.904 8.092 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.831 -1.063 9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.135 -0.165 8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.874 -0.980 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.785 -2.116 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.539 -2.089 11.560 1.00 0.00 H new ATOM 706 N PRO A 50 -8.812 -1.558 2.810 1.00 0.00 N ATOM 707 CA PRO A 50 -9.409 -1.503 1.486 1.00 0.00 C ATOM 708 C PRO A 50 -10.134 -0.173 1.267 1.00 0.00 C ATOM 709 O PRO A 50 -10.943 0.241 2.096 1.00 0.00 O ATOM 710 CB PRO A 50 -10.338 -2.704 1.423 1.00 0.00 C ATOM 711 CG PRO A 50 -10.581 -3.120 2.865 1.00 0.00 C ATOM 712 CD PRO A 50 -9.549 -2.417 3.732 1.00 0.00 C ATOM 0 HA PRO A 50 -8.668 -1.548 0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.274 -2.448 0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.888 -3.517 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.590 -2.849 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.495 -4.202 2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.025 -1.834 4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.888 -3.133 4.220 1.00 0.00 H new ATOM 720 N GLY A 51 -9.818 0.459 0.146 1.00 0.00 N ATOM 721 CA GLY A 51 -10.429 1.733 -0.192 1.00 0.00 C ATOM 722 C GLY A 51 -9.390 2.855 -0.198 1.00 0.00 C ATOM 723 O GLY A 51 -9.688 3.980 -0.596 1.00 0.00 O ATOM 0 H GLY A 51 -9.147 0.112 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.902 1.665 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.216 1.965 0.526 1.00 0.00 H new ATOM 727 N ASP A 52 -8.191 2.511 0.248 1.00 0.00 N ATOM 728 CA ASP A 52 -7.106 3.475 0.300 1.00 0.00 C ATOM 729 C ASP A 52 -6.468 3.593 -1.086 1.00 0.00 C ATOM 730 O ASP A 52 -6.145 2.585 -1.712 1.00 0.00 O ATOM 731 CB ASP A 52 -6.021 3.032 1.284 1.00 0.00 C ATOM 732 CG ASP A 52 -6.416 3.110 2.760 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.648 4.247 3.226 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.476 2.032 3.389 1.00 0.00 O ATOM 0 H ASP A 52 -7.947 1.577 0.577 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.519 4.430 0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.739 2.005 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.136 3.648 1.127 1.00 0.00 H new ATOM 739 N ILE A 53 -6.305 4.833 -1.524 1.00 0.00 N ATOM 740 CA ILE A 53 -5.712 5.096 -2.823 1.00 0.00 C ATOM 741 C ILE A 53 -4.190 5.158 -2.681 1.00 0.00 C ATOM 742 O ILE A 53 -3.656 6.088 -2.079 1.00 0.00 O ATOM 743 CB ILE A 53 -6.322 6.353 -3.447 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.755 6.091 -3.917 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.439 6.890 -4.575 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.504 7.405 -4.151 1.00 0.00 C ATOM 0 H ILE A 53 -6.574 5.667 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.936 4.284 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.370 7.126 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.739 5.508 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.283 5.495 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.896 7.783 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.455 7.139 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.337 6.130 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.519 7.191 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.540 7.974 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.987 7.988 -4.914 1.00 0.00 H new ATOM 758 N ILE A 54 -3.533 4.155 -3.246 1.00 0.00 N ATOM 759 CA ILE A 54 -2.083 4.083 -3.190 1.00 0.00 C ATOM 760 C ILE A 54 -1.488 5.169 -4.089 1.00 0.00 C ATOM 761 O ILE A 54 -1.568 5.078 -5.314 1.00 0.00 O ATOM 762 CB ILE A 54 -1.603 2.671 -3.530 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.807 1.723 -2.346 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.150 2.687 -4.008 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.151 0.312 -2.827 1.00 0.00 C ATOM 0 H ILE A 54 -3.979 3.385 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.730 4.279 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.209 2.293 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.902 1.694 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.607 2.099 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.167 1.671 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.067 3.309 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.487 3.093 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.291 -0.342 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.069 0.341 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.338 -0.070 -3.445 1.00 0.00 H new ATOM 777 N VAL A 55 -0.905 6.170 -3.448 1.00 0.00 N ATOM 778 CA VAL A 55 -0.296 7.271 -4.174 1.00 0.00 C ATOM 779 C VAL A 55 1.062 6.827 -4.722 1.00 0.00 C ATOM 780 O VAL A 55 1.360 7.038 -5.896 1.00 0.00 O ATOM 781 CB VAL A 55 -0.203 8.505 -3.274 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.266 9.792 -4.099 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.296 8.486 -2.203 1.00 0.00 C ATOM 0 H VAL A 55 -0.841 6.242 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.914 7.553 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 55 0.762 8.479 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.198 10.654 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.564 9.812 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.209 9.828 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.207 9.374 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.275 8.476 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.185 7.594 -1.586 1.00 0.00 H new ATOM 793 N ALA A 56 1.848 6.221 -3.845 1.00 0.00 N ATOM 794 CA ALA A 56 3.167 5.745 -4.226 1.00 0.00 C ATOM 795 C ALA A 56 3.384 4.343 -3.653 1.00 0.00 C ATOM 796 O ALA A 56 2.600 3.878 -2.827 1.00 0.00 O ATOM 797 CB ALA A 56 4.226 6.741 -3.748 1.00 0.00 C ATOM 0 H ALA A 56 1.597 6.049 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 56 3.251 5.674 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.216 6.385 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.044 7.713 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.173 6.836 -2.663 1.00 0.00 H new ATOM 803 N ILE A 57 4.452 3.709 -4.114 1.00 0.00 N ATOM 804 CA ILE A 57 4.782 2.369 -3.657 1.00 0.00 C ATOM 805 C ILE A 57 6.259 2.319 -3.264 1.00 0.00 C ATOM 806 O ILE A 57 7.132 2.238 -4.127 1.00 0.00 O ATOM 807 CB ILE A 57 4.390 1.332 -4.712 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.869 1.210 -4.822 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.055 -0.016 -4.429 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.474 0.306 -5.992 1.00 0.00 C ATOM 0 H ILE A 57 5.100 4.098 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 57 4.206 2.117 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 57 4.756 1.674 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.465 0.806 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.430 2.199 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.760 -0.735 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.138 0.103 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.741 -0.378 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.388 0.236 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.859 0.725 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.894 -0.689 -5.841 1.00 0.00 H new ATOM 822 N ASN A 58 6.494 2.369 -1.961 1.00 0.00 N ATOM 823 CA ASN A 58 7.851 2.330 -1.444 1.00 0.00 C ATOM 824 C ASN A 58 8.545 3.661 -1.741 1.00 0.00 C ATOM 825 O ASN A 58 9.760 3.778 -1.594 1.00 0.00 O ATOM 826 CB ASN A 58 8.662 1.215 -2.108 1.00 0.00 C ATOM 827 CG ASN A 58 9.295 0.298 -1.060 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.465 0.655 0.094 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.634 -0.901 -1.525 1.00 0.00 N ATOM 0 H ASN A 58 5.768 2.436 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 58 7.797 2.147 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.016 0.632 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.441 1.650 -2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.064 -1.586 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.464 -1.136 -2.503 1.00 0.00 H new ATOM 836 N GLY A 59 7.742 4.630 -2.153 1.00 0.00 N ATOM 837 CA GLY A 59 8.263 5.949 -2.472 1.00 0.00 C ATOM 838 C GLY A 59 8.125 6.246 -3.967 1.00 0.00 C ATOM 839 O GLY A 59 8.319 7.381 -4.398 1.00 0.00 O ATOM 0 H GLY A 59 6.734 4.529 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.728 6.704 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.312 6.010 -2.181 1.00 0.00 H new ATOM 843 N GLN A 60 7.791 5.205 -4.716 1.00 0.00 N ATOM 844 CA GLN A 60 7.625 5.341 -6.153 1.00 0.00 C ATOM 845 C GLN A 60 6.156 5.600 -6.496 1.00 0.00 C ATOM 846 O GLN A 60 5.296 4.760 -6.233 1.00 0.00 O ATOM 847 CB GLN A 60 8.148 4.103 -6.885 1.00 0.00 C ATOM 848 CG GLN A 60 7.739 4.123 -8.359 1.00 0.00 C ATOM 849 CD GLN A 60 8.968 4.118 -9.270 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.482 3.081 -9.655 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.409 5.331 -9.590 1.00 0.00 N ATOM 0 H GLN A 60 7.631 4.265 -4.355 1.00 0.00 H new ATOM 0 HA GLN A 60 8.212 6.196 -6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.234 4.062 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.759 3.203 -6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.116 3.256 -8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.136 5.008 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.931 6.158 -9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.225 5.434 -10.193 1.00 0.00 H new ATOM 860 N SER A 61 5.914 6.765 -7.078 1.00 0.00 N ATOM 861 CA SER A 61 4.564 7.145 -7.459 1.00 0.00 C ATOM 862 C SER A 61 3.831 5.942 -8.055 1.00 0.00 C ATOM 863 O SER A 61 4.434 5.123 -8.746 1.00 0.00 O ATOM 864 CB SER A 61 4.580 8.305 -8.457 1.00 0.00 C ATOM 865 OG SER A 61 4.244 9.545 -7.839 1.00 0.00 O ATOM 0 H SER A 61 6.630 7.459 -7.295 1.00 0.00 H new ATOM 0 HA SER A 61 4.036 7.477 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.569 8.381 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.876 8.099 -9.264 1.00 0.00 H new ATOM 0 HG SER A 61 4.267 10.261 -8.508 1.00 0.00 H new ATOM 871 N ALA A 62 2.539 5.874 -7.767 1.00 0.00 N ATOM 872 CA ALA A 62 1.717 4.785 -8.266 1.00 0.00 C ATOM 873 C ALA A 62 0.604 5.355 -9.148 1.00 0.00 C ATOM 874 O ALA A 62 -0.315 4.635 -9.536 1.00 0.00 O ATOM 875 CB ALA A 62 1.171 3.976 -7.087 1.00 0.00 C ATOM 0 H ALA A 62 2.042 6.556 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 62 2.309 4.107 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.554 3.159 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.001 3.569 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.568 4.623 -6.450 1.00 0.00 H new ATOM 881 N GLU A 63 0.724 6.642 -9.439 1.00 0.00 N ATOM 882 CA GLU A 63 -0.260 7.316 -10.268 1.00 0.00 C ATOM 883 C GLU A 63 -0.333 6.658 -11.647 1.00 0.00 C ATOM 884 O GLU A 63 -1.411 6.545 -12.229 1.00 0.00 O ATOM 885 CB GLU A 63 0.054 8.809 -10.389 1.00 0.00 C ATOM 886 CG GLU A 63 -1.048 9.655 -9.748 1.00 0.00 C ATOM 887 CD GLU A 63 -1.349 10.893 -10.595 1.00 0.00 C ATOM 888 OE1 GLU A 63 -1.179 10.793 -11.829 1.00 0.00 O ATOM 889 OE2 GLU A 63 -1.743 11.913 -9.988 1.00 0.00 O ATOM 0 H GLU A 63 1.488 7.236 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.235 7.221 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.008 9.024 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.159 9.078 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.953 9.057 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.742 9.960 -8.747 1.00 0.00 H new ATOM 896 N ASN A 64 0.827 6.240 -12.130 1.00 0.00 N ATOM 897 CA ASN A 64 0.909 5.596 -13.430 1.00 0.00 C ATOM 898 C ASN A 64 1.497 4.193 -13.263 1.00 0.00 C ATOM 899 O ASN A 64 2.505 3.861 -13.885 1.00 0.00 O ATOM 900 CB ASN A 64 1.818 6.380 -14.377 1.00 0.00 C ATOM 901 CG ASN A 64 3.248 6.446 -13.836 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.497 6.303 -12.651 1.00 0.00 O ATOM 903 ND2 ASN A 64 4.169 6.670 -14.769 1.00 0.00 N ATOM 0 H ASN A 64 1.719 6.335 -11.644 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.096 5.553 -13.849 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.819 5.908 -15.360 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.428 7.389 -14.508 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.154 6.731 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.891 6.780 -15.744 1.00 0.00 H new ATOM 910 N MET A 65 0.842 3.408 -12.421 1.00 0.00 N ATOM 911 CA MET A 65 1.288 2.049 -12.165 1.00 0.00 C ATOM 912 C MET A 65 0.251 1.032 -12.647 1.00 0.00 C ATOM 913 O MET A 65 -0.896 1.052 -12.205 1.00 0.00 O ATOM 914 CB MET A 65 1.525 1.863 -10.665 1.00 0.00 C ATOM 915 CG MET A 65 2.991 2.117 -10.306 1.00 0.00 C ATOM 916 SD MET A 65 3.291 1.659 -8.607 1.00 0.00 S ATOM 917 CE MET A 65 5.014 2.107 -8.466 1.00 0.00 C ATOM 0 H MET A 65 0.006 3.687 -11.907 1.00 0.00 H new ATOM 0 HA MET A 65 2.216 1.882 -12.712 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.886 2.546 -10.105 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.245 0.851 -10.372 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.641 1.542 -10.966 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.234 3.169 -10.456 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.604 1.218 -8.245 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.354 2.544 -9.405 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.137 2.833 -7.662 1.00 0.00 H new ATOM 927 N LEU A 66 0.694 0.166 -13.548 1.00 0.00 N ATOM 928 CA LEU A 66 -0.181 -0.857 -14.095 1.00 0.00 C ATOM 929 C LEU A 66 -0.537 -1.859 -12.996 1.00 0.00 C ATOM 930 O LEU A 66 0.245 -2.075 -12.071 1.00 0.00 O ATOM 931 CB LEU A 66 0.453 -1.499 -15.331 1.00 0.00 C ATOM 932 CG LEU A 66 1.008 -0.532 -16.379 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.300 -1.073 -16.994 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.044 -0.213 -17.443 1.00 0.00 C ATOM 0 H LEU A 66 1.647 0.152 -13.912 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.116 -0.415 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.262 -2.151 -15.003 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.293 -2.133 -15.810 1.00 0.00 H new ATOM 0 HG LEU A 66 1.256 0.405 -15.881 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.674 -0.367 -17.736 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.047 -1.207 -16.212 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.101 -2.031 -17.474 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.377 0.476 -18.175 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.347 -1.133 -17.943 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.912 0.246 -16.970 1.00 0.00 H new ATOM 946 N HIS A 67 -1.717 -2.445 -13.133 1.00 0.00 N ATOM 947 CA HIS A 67 -2.186 -3.420 -12.162 1.00 0.00 C ATOM 948 C HIS A 67 -1.115 -4.492 -11.954 1.00 0.00 C ATOM 949 O HIS A 67 -1.100 -5.168 -10.926 1.00 0.00 O ATOM 950 CB HIS A 67 -3.535 -4.004 -12.587 1.00 0.00 C ATOM 951 CG HIS A 67 -4.248 -4.761 -11.493 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.300 -4.224 -10.772 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.051 -6.020 -11.005 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.709 -5.126 -9.892 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.933 -6.238 -10.038 1.00 0.00 N ATOM 0 H HIS A 67 -2.363 -2.264 -13.902 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.353 -2.932 -11.202 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.177 -3.194 -12.932 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.380 -4.671 -13.435 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.694 -3.291 -10.897 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.304 -6.720 -11.348 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.515 -5.002 -9.184 1.00 0.00 H new ATOM 963 N ALA A 68 -0.246 -4.615 -12.946 1.00 0.00 N ATOM 964 CA ALA A 68 0.826 -5.594 -12.884 1.00 0.00 C ATOM 965 C ALA A 68 2.074 -4.941 -12.287 1.00 0.00 C ATOM 966 O ALA A 68 2.895 -5.614 -11.665 1.00 0.00 O ATOM 967 CB ALA A 68 1.079 -6.165 -14.281 1.00 0.00 C ATOM 0 H ALA A 68 -0.262 -4.053 -13.797 1.00 0.00 H new ATOM 0 HA ALA A 68 0.548 -6.426 -12.237 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.883 -6.899 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.171 -6.644 -14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.363 -5.359 -14.958 1.00 0.00 H new ATOM 973 N GLU A 69 2.178 -3.637 -12.497 1.00 0.00 N ATOM 974 CA GLU A 69 3.312 -2.884 -11.987 1.00 0.00 C ATOM 975 C GLU A 69 3.250 -2.799 -10.461 1.00 0.00 C ATOM 976 O GLU A 69 4.191 -3.193 -9.774 1.00 0.00 O ATOM 977 CB GLU A 69 3.371 -1.489 -12.613 1.00 0.00 C ATOM 978 CG GLU A 69 3.777 -1.566 -14.086 1.00 0.00 C ATOM 979 CD GLU A 69 5.143 -0.916 -14.313 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.339 0.195 -13.775 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.961 -1.545 -15.018 1.00 0.00 O ATOM 0 H GLU A 69 1.495 -3.082 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 69 4.226 -3.409 -12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.398 -1.006 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.084 -0.871 -12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.809 -2.608 -14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.027 -1.068 -14.700 1.00 0.00 H new ATOM 988 N ALA A 70 2.131 -2.280 -9.975 1.00 0.00 N ATOM 989 CA ALA A 70 1.934 -2.138 -8.542 1.00 0.00 C ATOM 990 C ALA A 70 1.937 -3.522 -7.891 1.00 0.00 C ATOM 991 O ALA A 70 2.411 -3.682 -6.767 1.00 0.00 O ATOM 992 CB ALA A 70 0.635 -1.373 -8.279 1.00 0.00 C ATOM 0 H ALA A 70 1.353 -1.953 -10.547 1.00 0.00 H new ATOM 0 HA ALA A 70 2.747 -1.563 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.487 -1.266 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.695 -0.386 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.204 -1.921 -8.708 1.00 0.00 H new ATOM 998 N GLN A 71 1.403 -4.487 -8.625 1.00 0.00 N ATOM 999 CA GLN A 71 1.338 -5.853 -8.132 1.00 0.00 C ATOM 1000 C GLN A 71 2.746 -6.434 -7.993 1.00 0.00 C ATOM 1001 O GLN A 71 3.054 -7.095 -7.002 1.00 0.00 O ATOM 1002 CB GLN A 71 0.473 -6.725 -9.045 1.00 0.00 C ATOM 1003 CG GLN A 71 -1.005 -6.619 -8.665 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.254 -7.188 -7.267 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.339 -7.543 -6.541 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.539 -7.255 -6.931 1.00 0.00 N ATOM 0 H GLN A 71 1.011 -4.351 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 71 0.872 -5.841 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.608 -6.418 -10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.797 -7.764 -8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.319 -5.576 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.611 -7.157 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.255 -6.941 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.809 -7.621 -6.018 1.00 0.00 H new ATOM 1015 N SER A 72 3.565 -6.167 -9.000 1.00 0.00 N ATOM 1016 CA SER A 72 4.933 -6.655 -9.002 1.00 0.00 C ATOM 1017 C SER A 72 5.745 -5.940 -7.920 1.00 0.00 C ATOM 1018 O SER A 72 6.338 -6.585 -7.056 1.00 0.00 O ATOM 1019 CB SER A 72 5.586 -6.458 -10.372 1.00 0.00 C ATOM 1020 OG SER A 72 6.868 -7.077 -10.446 1.00 0.00 O ATOM 0 H SER A 72 3.307 -5.619 -9.820 1.00 0.00 H new ATOM 0 HA SER A 72 4.915 -7.724 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.938 -6.872 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.686 -5.392 -10.576 1.00 0.00 H new ATOM 0 HG SER A 72 7.251 -6.930 -11.336 1.00 0.00 H new ATOM 1026 N LYS A 73 5.747 -4.618 -8.002 1.00 0.00 N ATOM 1027 CA LYS A 73 6.476 -3.809 -7.040 1.00 0.00 C ATOM 1028 C LYS A 73 6.166 -4.302 -5.626 1.00 0.00 C ATOM 1029 O LYS A 73 7.072 -4.668 -4.879 1.00 0.00 O ATOM 1030 CB LYS A 73 6.177 -2.324 -7.253 1.00 0.00 C ATOM 1031 CG LYS A 73 7.280 -1.655 -8.077 1.00 0.00 C ATOM 1032 CD LYS A 73 6.785 -1.318 -9.485 1.00 0.00 C ATOM 1033 CE LYS A 73 7.565 -0.140 -10.073 1.00 0.00 C ATOM 1034 NZ LYS A 73 6.803 0.488 -11.175 1.00 0.00 N ATOM 0 H LYS A 73 5.255 -4.086 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 73 7.550 -3.918 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.219 -2.211 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.086 -1.826 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.611 -0.745 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.144 -2.317 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.894 -2.189 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.723 -1.076 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.764 0.597 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.532 -0.484 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.381 1.230 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.561 -0.233 -11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.930 0.909 -10.798 1.00 0.00 H new ATOM 1048 N ILE A 74 4.881 -4.297 -5.300 1.00 0.00 N ATOM 1049 CA ILE A 74 4.440 -4.739 -3.988 1.00 0.00 C ATOM 1050 C ILE A 74 5.020 -6.125 -3.700 1.00 0.00 C ATOM 1051 O ILE A 74 5.502 -6.384 -2.599 1.00 0.00 O ATOM 1052 CB ILE A 74 2.915 -4.677 -3.887 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.445 -3.263 -3.541 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.388 -5.716 -2.894 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.037 -3.005 -4.081 1.00 0.00 C ATOM 0 H ILE A 74 4.132 -3.994 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 74 4.815 -4.069 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 74 2.498 -4.925 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.454 -3.128 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.138 -2.533 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.301 -5.650 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.676 -6.714 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.811 -5.524 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.727 -1.993 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.037 -3.117 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.342 -3.721 -3.642 1.00 0.00 H new ATOM 1067 N ARG A 75 4.954 -6.980 -4.710 1.00 0.00 N ATOM 1068 CA ARG A 75 5.467 -8.334 -4.580 1.00 0.00 C ATOM 1069 C ARG A 75 6.979 -8.308 -4.350 1.00 0.00 C ATOM 1070 O ARG A 75 7.495 -9.038 -3.505 1.00 0.00 O ATOM 1071 CB ARG A 75 5.161 -9.162 -5.829 1.00 0.00 C ATOM 1072 CG ARG A 75 4.996 -10.642 -5.479 1.00 0.00 C ATOM 1073 CD ARG A 75 6.206 -11.454 -5.945 1.00 0.00 C ATOM 1074 NE ARG A 75 5.802 -12.849 -6.227 1.00 0.00 N ATOM 1075 CZ ARG A 75 6.651 -13.884 -6.265 1.00 0.00 C ATOM 1076 NH1 ARG A 75 7.958 -13.688 -6.040 1.00 0.00 N ATOM 1077 NH2 ARG A 75 6.195 -15.117 -6.528 1.00 0.00 N ATOM 0 H ARG A 75 4.553 -6.762 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 75 4.974 -8.795 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.250 -8.792 -6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.966 -9.044 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.872 -10.753 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.091 -11.031 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.634 -11.003 -6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.981 -11.439 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 75 4.815 -13.034 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.306 -12.750 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.604 -14.477 -6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.201 -15.267 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.842 -15.905 -6.557 1.00 0.00 H new ATOM 1091 N GLN A 76 7.648 -7.461 -5.119 1.00 0.00 N ATOM 1092 CA GLN A 76 9.091 -7.331 -5.010 1.00 0.00 C ATOM 1093 C GLN A 76 9.452 -6.264 -3.974 1.00 0.00 C ATOM 1094 O GLN A 76 10.564 -5.739 -3.981 1.00 0.00 O ATOM 1095 CB GLN A 76 9.717 -7.010 -6.369 1.00 0.00 C ATOM 1096 CG GLN A 76 9.182 -7.947 -7.454 1.00 0.00 C ATOM 1097 CD GLN A 76 10.297 -8.836 -8.008 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.132 -9.354 -7.284 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.265 -8.985 -9.329 1.00 0.00 N ATOM 0 H GLN A 76 7.217 -6.858 -5.820 1.00 0.00 H new ATOM 0 HA GLN A 76 9.498 -8.286 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.501 -5.976 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.801 -7.103 -6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.387 -8.569 -7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.744 -7.361 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.539 -8.524 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.967 -9.561 -9.794 1.00 0.00 H new ATOM 1108 N SER A 77 8.491 -5.977 -3.109 1.00 0.00 N ATOM 1109 CA SER A 77 8.693 -4.982 -2.069 1.00 0.00 C ATOM 1110 C SER A 77 9.163 -5.660 -0.781 1.00 0.00 C ATOM 1111 O SER A 77 8.487 -6.545 -0.259 1.00 0.00 O ATOM 1112 CB SER A 77 7.412 -4.185 -1.813 1.00 0.00 C ATOM 1113 OG SER A 77 7.617 -2.783 -1.962 1.00 0.00 O ATOM 0 H SER A 77 7.570 -6.416 -3.107 1.00 0.00 H new ATOM 0 HA SER A 77 9.461 -4.285 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.636 -4.514 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.050 -4.394 -0.806 1.00 0.00 H new ATOM 0 HG SER A 77 6.927 -2.412 -2.551 1.00 0.00 H new ATOM 1119 N ALA A 78 10.318 -5.218 -0.305 1.00 0.00 N ATOM 1120 CA ALA A 78 10.887 -5.772 0.912 1.00 0.00 C ATOM 1121 C ALA A 78 10.278 -5.061 2.123 1.00 0.00 C ATOM 1122 O ALA A 78 9.617 -4.034 1.976 1.00 0.00 O ATOM 1123 CB ALA A 78 12.411 -5.646 0.867 1.00 0.00 C ATOM 0 H ALA A 78 10.875 -4.483 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 78 10.651 -6.833 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.838 -6.062 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.796 -6.192 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.687 -4.595 0.783 1.00 0.00 H new ATOM 1129 N SER A 79 10.524 -5.635 3.291 1.00 0.00 N ATOM 1130 CA SER A 79 10.009 -5.069 4.526 1.00 0.00 C ATOM 1131 C SER A 79 11.082 -4.207 5.195 1.00 0.00 C ATOM 1132 O SER A 79 12.259 -4.566 5.196 1.00 0.00 O ATOM 1133 CB SER A 79 9.539 -6.168 5.482 1.00 0.00 C ATOM 1134 OG SER A 79 10.630 -6.910 6.019 1.00 0.00 O ATOM 0 H SER A 79 11.073 -6.486 3.408 1.00 0.00 H new ATOM 0 HA SER A 79 9.150 -4.444 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.969 -5.721 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.865 -6.844 4.955 1.00 0.00 H new ATOM 0 HG SER A 79 10.289 -7.600 6.625 1.00 0.00 H new ATOM 1140 N PRO A 80 10.627 -3.058 5.762 1.00 0.00 N ATOM 1141 CA PRO A 80 9.217 -2.709 5.715 1.00 0.00 C ATOM 1142 C PRO A 80 8.819 -2.220 4.321 1.00 0.00 C ATOM 1143 O PRO A 80 9.676 -1.844 3.523 1.00 0.00 O ATOM 1144 CB PRO A 80 9.039 -1.649 6.790 1.00 0.00 C ATOM 1145 CG PRO A 80 10.430 -1.110 7.079 1.00 0.00 C ATOM 1146 CD PRO A 80 11.438 -2.065 6.460 1.00 0.00 C ATOM 0 HA PRO A 80 8.566 -3.562 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.376 -0.854 6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.591 -2.075 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.546 -0.110 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.592 -1.028 8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.106 -1.545 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.063 -2.529 7.222 1.00 0.00 H new ATOM 1154 N LEU A 81 7.518 -2.241 4.071 1.00 0.00 N ATOM 1155 CA LEU A 81 6.996 -1.804 2.787 1.00 0.00 C ATOM 1156 C LEU A 81 6.221 -0.498 2.974 1.00 0.00 C ATOM 1157 O LEU A 81 5.112 -0.501 3.508 1.00 0.00 O ATOM 1158 CB LEU A 81 6.175 -2.919 2.136 1.00 0.00 C ATOM 1159 CG LEU A 81 5.148 -2.473 1.092 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.839 -1.991 -0.185 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.135 -3.584 0.811 1.00 0.00 C ATOM 0 H LEU A 81 6.810 -2.554 4.735 1.00 0.00 H new ATOM 0 HA LEU A 81 7.812 -1.594 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.862 -3.621 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.652 -3.464 2.922 1.00 0.00 H new ATOM 0 HG LEU A 81 4.594 -1.627 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.087 -1.680 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.488 -1.147 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.434 -2.802 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.417 -3.242 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.656 -4.465 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.610 -3.839 1.731 1.00 0.00 H new ATOM 1173 N ARG A 82 6.835 0.586 2.525 1.00 0.00 N ATOM 1174 CA ARG A 82 6.216 1.896 2.637 1.00 0.00 C ATOM 1175 C ARG A 82 5.206 2.104 1.507 1.00 0.00 C ATOM 1176 O ARG A 82 5.544 1.962 0.333 1.00 0.00 O ATOM 1177 CB ARG A 82 7.267 3.008 2.583 1.00 0.00 C ATOM 1178 CG ARG A 82 7.183 3.901 3.822 1.00 0.00 C ATOM 1179 CD ARG A 82 8.448 4.749 3.972 1.00 0.00 C ATOM 1180 NE ARG A 82 8.127 6.019 4.661 1.00 0.00 N ATOM 1181 CZ ARG A 82 9.048 6.876 5.124 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.351 6.604 4.975 1.00 0.00 N ATOM 1183 NH2 ARG A 82 8.664 8.004 5.737 1.00 0.00 N ATOM 0 H ARG A 82 7.754 0.585 2.083 1.00 0.00 H new ATOM 0 HA ARG A 82 5.705 1.940 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.262 2.570 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.120 3.609 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.311 4.551 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.046 3.285 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.200 4.199 4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.876 4.956 2.991 1.00 0.00 H new ATOM 0 HE ARG A 82 7.144 6.257 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.643 5.745 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.052 7.256 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.672 8.210 5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.364 8.657 6.090 1.00 0.00 H new ATOM 1197 N LEU A 83 3.985 2.437 1.901 1.00 0.00 N ATOM 1198 CA LEU A 83 2.923 2.665 0.936 1.00 0.00 C ATOM 1199 C LEU A 83 2.213 3.979 1.267 1.00 0.00 C ATOM 1200 O LEU A 83 1.621 4.117 2.336 1.00 0.00 O ATOM 1201 CB LEU A 83 1.985 1.458 0.876 1.00 0.00 C ATOM 1202 CG LEU A 83 2.508 0.239 0.112 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.672 -1.003 0.425 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.577 0.522 -1.390 1.00 0.00 C ATOM 0 H LEU A 83 3.708 2.554 2.876 1.00 0.00 H new ATOM 0 HA LEU A 83 3.336 2.769 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.754 1.151 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.047 1.774 0.419 1.00 0.00 H new ATOM 0 HG LEU A 83 3.525 0.035 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.064 -1.855 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.719 -1.213 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.636 -0.827 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.952 -0.360 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.581 0.766 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.247 1.362 -1.572 1.00 0.00 H new ATOM 1216 N GLN A 84 2.297 4.912 0.330 1.00 0.00 N ATOM 1217 CA GLN A 84 1.670 6.211 0.509 1.00 0.00 C ATOM 1218 C GLN A 84 0.210 6.162 0.054 1.00 0.00 C ATOM 1219 O GLN A 84 -0.070 5.958 -1.127 1.00 0.00 O ATOM 1220 CB GLN A 84 2.441 7.300 -0.239 1.00 0.00 C ATOM 1221 CG GLN A 84 2.128 8.684 0.331 1.00 0.00 C ATOM 1222 CD GLN A 84 2.548 9.787 -0.643 1.00 0.00 C ATOM 1223 OE1 GLN A 84 1.539 10.321 -1.324 1.00 0.00 O flip ATOM 1224 NE2 GLN A 84 3.713 10.129 -0.768 1.00 0.00 N flip ATOM 0 H GLN A 84 2.790 4.794 -0.555 1.00 0.00 H new ATOM 0 HA GLN A 84 1.692 6.460 1.570 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.511 7.107 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.182 7.272 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.061 8.763 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.647 8.816 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.440 9.677 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.960 10.867 -1.427 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.683 6.354 1.014 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.107 6.334 0.727 1.00 0.00 C ATOM 1235 C LEU A 85 -2.628 7.771 0.658 1.00 0.00 C ATOM 1236 O LEU A 85 -2.172 8.637 1.403 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.846 5.460 1.742 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.101 4.212 2.221 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.905 3.471 3.291 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.740 3.304 1.044 1.00 0.00 C ATOM 0 H LEU A 85 -0.448 6.524 1.992 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.294 5.879 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.086 6.072 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.793 5.147 1.301 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.166 4.528 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.353 2.588 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.069 4.129 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.867 3.167 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.211 2.425 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.651 2.992 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.100 3.847 0.348 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.577 7.980 -0.243 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.165 9.297 -0.419 1.00 0.00 C ATOM 1254 C ASP A 86 -5.501 9.357 0.324 1.00 0.00 C ATOM 1255 O ASP A 86 -6.512 8.855 -0.166 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.433 9.587 -1.897 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.962 10.960 -2.382 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -3.796 11.843 -1.512 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.779 11.096 -3.611 1.00 0.00 O ATOM 0 H ASP A 86 -3.953 7.259 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.464 10.035 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.944 8.819 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.504 9.501 -2.080 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.463 9.976 1.495 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.658 10.108 2.310 1.00 0.00 C ATOM 1266 C ARG A 87 -7.145 11.559 2.308 1.00 0.00 C ATOM 1267 O ARG A 87 -6.569 12.411 2.983 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.393 9.669 3.752 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.683 9.198 4.428 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.449 7.909 5.217 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.044 6.760 4.498 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.321 5.579 5.068 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.058 5.384 6.367 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.861 4.594 4.338 1.00 0.00 N ATOM 0 H ARG A 87 -4.623 10.391 1.898 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.424 9.463 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.658 8.864 3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.965 10.498 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.052 9.976 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.453 9.033 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.380 7.747 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.891 7.995 6.210 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.256 6.874 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.647 6.134 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.269 4.485 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.061 4.743 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.072 3.695 4.771 1.00 0.00 H new ATOM 1288 N SER A 88 -8.199 11.795 1.541 1.00 0.00 N ATOM 1289 CA SER A 88 -8.769 13.128 1.442 1.00 0.00 C ATOM 1290 C SER A 88 -10.289 13.037 1.298 1.00 0.00 C ATOM 1291 O SER A 88 -10.821 13.156 0.195 1.00 0.00 O ATOM 1292 CB SER A 88 -8.169 13.897 0.263 1.00 0.00 C ATOM 1293 OG SER A 88 -8.068 15.292 0.532 1.00 0.00 O ATOM 0 H SER A 88 -8.673 11.086 0.982 1.00 0.00 H new ATOM 0 HA SER A 88 -8.529 13.672 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.180 13.499 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.786 13.742 -0.622 1.00 0.00 H new ATOM 0 HG SER A 88 -7.679 15.747 -0.244 1.00 0.00 H new