USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot -177:sc= -1.84! USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -161:sc= -0.128 (180deg=-0.424) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -48:sc= 0.386 USER MOD Single : A 60 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0424) USER MOD Single : A 67 ASN : amide:sc= -0.767 K(o=-0.77,f=-2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 73 SER OG : rot 13:sc= 0.126 USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000249 USER MOD Single : A 76 TYR OH : rot 96:sc= 0.179 USER MOD Single : A 77 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -1.47 F(o=-2.1,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.552 5.666 -1.091 1.00 0.00 N ATOM 72 CA VAL A 6 12.740 5.192 0.265 1.00 0.00 C ATOM 73 C VAL A 6 14.010 4.354 0.374 1.00 0.00 C ATOM 74 O VAL A 6 14.360 3.617 -0.548 1.00 0.00 O ATOM 75 CB VAL A 6 11.530 4.350 0.715 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.744 2.913 0.345 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.269 4.500 2.208 1.00 0.00 C ATOM 0 HA VAL A 6 12.833 6.063 0.914 1.00 0.00 H new ATOM 0 HB VAL A 6 10.644 4.718 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.885 2.323 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.859 2.829 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.643 2.541 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.409 3.893 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.145 4.169 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.066 5.546 2.439 1.00 0.00 H new ATOM 87 N TRP A 7 14.688 4.461 1.508 1.00 0.00 N ATOM 88 CA TRP A 7 15.909 3.702 1.735 1.00 0.00 C ATOM 89 C TRP A 7 15.711 2.702 2.867 1.00 0.00 C ATOM 90 O TRP A 7 15.295 3.069 3.966 1.00 0.00 O ATOM 91 CB TRP A 7 17.068 4.647 2.052 1.00 0.00 C ATOM 92 CG TRP A 7 17.381 5.583 0.925 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.810 6.800 0.686 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.333 5.373 -0.123 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.351 7.360 -0.445 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.289 6.505 -0.959 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.221 4.340 -0.433 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.100 6.630 -2.085 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.025 4.465 -1.551 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.959 5.603 -2.364 1.00 0.00 C ATOM 0 H TRP A 7 14.414 5.065 2.283 1.00 0.00 H new ATOM 0 HA TRP A 7 16.150 3.150 0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.825 5.227 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.956 4.059 2.287 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.045 7.256 1.297 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.096 8.266 -0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.278 3.459 0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.052 7.506 -2.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.715 3.672 -1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.600 5.671 -3.230 1.00 0.00 H new ATOM 111 N GLY A 8 16.005 1.436 2.591 1.00 0.00 N ATOM 112 CA GLY A 8 15.840 0.405 3.610 1.00 0.00 C ATOM 113 C GLY A 8 16.879 -0.694 3.506 1.00 0.00 C ATOM 114 O GLY A 8 17.749 -0.650 2.638 1.00 0.00 O ATOM 0 H GLY A 8 16.351 1.103 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.900 0.863 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.845 -0.032 3.521 1.00 0.00 H new ATOM 118 N ALA A 9 16.794 -1.681 4.397 1.00 0.00 N ATOM 119 CA ALA A 9 17.742 -2.789 4.393 1.00 0.00 C ATOM 120 C ALA A 9 17.026 -4.131 4.439 1.00 0.00 C ATOM 121 O ALA A 9 16.094 -4.327 5.219 1.00 0.00 O ATOM 122 CB ALA A 9 18.708 -2.668 5.561 1.00 0.00 C ATOM 0 H ALA A 9 16.082 -1.734 5.126 1.00 0.00 H new ATOM 0 HA ALA A 9 18.306 -2.740 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.408 -3.503 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.259 -1.731 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.150 -2.683 6.497 1.00 0.00 H new ATOM 128 N LEU A 10 17.472 -5.055 3.599 1.00 0.00 N ATOM 129 CA LEU A 10 16.878 -6.387 3.537 1.00 0.00 C ATOM 130 C LEU A 10 16.836 -7.031 4.917 1.00 0.00 C ATOM 131 O LEU A 10 17.802 -6.963 5.676 1.00 0.00 O ATOM 132 CB LEU A 10 17.671 -7.271 2.570 1.00 0.00 C ATOM 133 CG LEU A 10 16.836 -8.153 1.638 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.401 -7.369 0.410 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.630 -9.382 1.231 1.00 0.00 C ATOM 0 H LEU A 10 18.244 -4.908 2.949 1.00 0.00 H new ATOM 0 HA LEU A 10 15.855 -6.287 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.307 -6.630 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.331 -7.913 3.153 1.00 0.00 H new ATOM 0 HG LEU A 10 15.942 -8.476 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.809 -8.012 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.801 -6.513 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.281 -7.019 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.026 -10.002 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.538 -9.073 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.897 -9.954 2.120 1.00 0.00 H new ATOM 147 N GLY A 11 15.708 -7.653 5.234 1.00 0.00 N ATOM 148 CA GLY A 11 15.557 -8.298 6.521 1.00 0.00 C ATOM 149 C GLY A 11 15.075 -7.346 7.599 1.00 0.00 C ATOM 150 O GLY A 11 14.751 -7.774 8.708 1.00 0.00 O ATOM 0 H GLY A 11 14.895 -7.722 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.851 -9.123 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.512 -8.728 6.822 1.00 0.00 H new ATOM 154 N HIS A 12 15.023 -6.052 7.284 1.00 0.00 N ATOM 155 CA HIS A 12 14.576 -5.058 8.242 1.00 0.00 C ATOM 156 C HIS A 12 13.194 -4.538 7.845 1.00 0.00 C ATOM 157 O HIS A 12 12.716 -4.806 6.741 1.00 0.00 O ATOM 158 CB HIS A 12 15.620 -3.933 8.323 1.00 0.00 C ATOM 159 CG HIS A 12 15.065 -2.560 8.505 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.755 -1.748 7.445 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.798 -1.843 9.623 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.322 -0.582 7.895 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.338 -0.615 9.215 1.00 0.00 N ATOM 0 H HIS A 12 15.286 -5.675 6.374 1.00 0.00 H new ATOM 0 HA HIS A 12 14.481 -5.501 9.234 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.296 -4.146 9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.217 -3.948 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.923 -2.175 10.643 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.009 0.254 7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.055 0.147 9.831 1.00 0.00 H new ATOM 172 N GLY A 13 12.552 -3.814 8.755 1.00 0.00 N ATOM 173 CA GLY A 13 11.224 -3.286 8.479 1.00 0.00 C ATOM 174 C GLY A 13 11.245 -2.160 7.464 1.00 0.00 C ATOM 175 O GLY A 13 12.285 -1.865 6.888 1.00 0.00 O ATOM 0 H GLY A 13 12.924 -3.583 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.586 -4.090 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.780 -2.926 9.407 1.00 0.00 H new ATOM 179 N ILE A 14 10.087 -1.537 7.250 1.00 0.00 N ATOM 180 CA ILE A 14 9.953 -0.430 6.301 1.00 0.00 C ATOM 181 C ILE A 14 8.485 -0.213 5.940 1.00 0.00 C ATOM 182 O ILE A 14 7.742 -1.173 5.717 1.00 0.00 O ATOM 183 CB ILE A 14 10.771 -0.669 5.008 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.727 0.562 4.102 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.264 -1.895 4.272 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.976 1.411 4.190 1.00 0.00 C ATOM 0 H ILE A 14 9.219 -1.783 7.726 1.00 0.00 H new ATOM 0 HA ILE A 14 10.348 0.460 6.791 1.00 0.00 H new ATOM 0 HB ILE A 14 11.809 -0.845 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.586 0.241 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.862 1.170 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.852 -2.045 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.358 -2.770 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.217 -1.752 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.881 2.268 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.107 1.761 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.841 0.817 3.896 1.00 0.00 H new ATOM 198 N ASP A 15 8.066 1.047 5.900 1.00 0.00 N ATOM 199 CA ASP A 15 6.681 1.376 5.580 1.00 0.00 C ATOM 200 C ASP A 15 6.592 2.308 4.376 1.00 0.00 C ATOM 201 O ASP A 15 7.236 3.358 4.338 1.00 0.00 O ATOM 202 CB ASP A 15 6.000 2.021 6.790 1.00 0.00 C ATOM 203 CG ASP A 15 4.525 2.288 6.555 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.072 2.156 5.399 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.823 2.632 7.529 1.00 0.00 O ATOM 0 H ASP A 15 8.662 1.854 6.084 1.00 0.00 H new ATOM 0 HA ASP A 15 6.168 0.448 5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.114 1.370 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.502 2.959 7.028 1.00 0.00 H new ATOM 210 N LEU A 16 5.777 1.920 3.401 1.00 0.00 N ATOM 211 CA LEU A 16 5.580 2.720 2.195 1.00 0.00 C ATOM 212 C LEU A 16 4.504 3.774 2.442 1.00 0.00 C ATOM 213 O LEU A 16 3.319 3.453 2.526 1.00 0.00 O ATOM 214 CB LEU A 16 5.168 1.813 1.021 1.00 0.00 C ATOM 215 CG LEU A 16 6.195 1.600 -0.114 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.562 2.191 0.210 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.332 0.117 -0.425 1.00 0.00 C ATOM 0 H LEU A 16 5.240 1.053 3.422 1.00 0.00 H new ATOM 0 HA LEU A 16 6.516 3.219 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.909 0.835 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.261 2.226 0.580 1.00 0.00 H new ATOM 0 HG LEU A 16 5.815 2.129 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.243 2.012 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.465 3.264 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.958 1.721 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.058 -0.021 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.670 -0.412 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.366 -0.280 -0.738 1.00 0.00 H new ATOM 229 N ASP A 17 4.922 5.029 2.575 1.00 0.00 N ATOM 230 CA ASP A 17 3.986 6.117 2.831 1.00 0.00 C ATOM 231 C ASP A 17 3.455 6.727 1.538 1.00 0.00 C ATOM 232 O ASP A 17 4.220 7.170 0.682 1.00 0.00 O ATOM 233 CB ASP A 17 4.647 7.201 3.680 1.00 0.00 C ATOM 234 CG ASP A 17 4.889 6.751 5.107 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.945 6.220 5.730 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.022 6.929 5.603 1.00 0.00 O ATOM 0 H ASP A 17 5.898 5.316 2.510 1.00 0.00 H new ATOM 0 HA ASP A 17 3.141 5.694 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.596 7.486 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.016 8.090 3.684 1.00 0.00 H new ATOM 241 N ILE A 18 2.133 6.747 1.416 1.00 0.00 N ATOM 242 CA ILE A 18 1.466 7.301 0.246 1.00 0.00 C ATOM 243 C ILE A 18 1.396 8.828 0.322 1.00 0.00 C ATOM 244 O ILE A 18 0.808 9.380 1.252 1.00 0.00 O ATOM 245 CB ILE A 18 0.037 6.744 0.126 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.074 5.217 0.082 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.666 7.304 -1.105 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.143 4.606 -0.571 1.00 0.00 C ATOM 0 H ILE A 18 1.496 6.381 2.123 1.00 0.00 H new ATOM 0 HA ILE A 18 2.049 7.013 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.531 7.056 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.966 4.898 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.163 4.834 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.674 6.894 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.720 8.390 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.108 7.029 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.051 3.520 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.037 4.896 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.221 4.961 -1.599 1.00 0.00 H new ATOM 260 N PRO A 19 1.998 9.535 -0.651 1.00 0.00 N ATOM 261 CA PRO A 19 1.996 11.003 -0.672 1.00 0.00 C ATOM 262 C PRO A 19 0.589 11.596 -0.735 1.00 0.00 C ATOM 263 O PRO A 19 -0.232 11.199 -1.563 1.00 0.00 O ATOM 264 CB PRO A 19 2.778 11.352 -1.945 1.00 0.00 C ATOM 265 CG PRO A 19 3.573 10.130 -2.257 1.00 0.00 C ATOM 266 CD PRO A 19 2.738 8.972 -1.797 1.00 0.00 C ATOM 0 HA PRO A 19 2.432 11.412 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.105 11.605 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.426 12.214 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.783 10.062 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.535 10.147 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.065 8.623 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.353 8.122 -1.503 1.00 0.00 H new ATOM 274 N ASN A 20 0.332 12.563 0.142 1.00 0.00 N ATOM 275 CA ASN A 20 -0.960 13.252 0.206 1.00 0.00 C ATOM 276 C ASN A 20 -2.156 12.301 0.077 1.00 0.00 C ATOM 277 O ASN A 20 -2.920 12.383 -0.886 1.00 0.00 O ATOM 278 CB ASN A 20 -1.032 14.321 -0.886 1.00 0.00 C ATOM 279 CG ASN A 20 -0.325 15.602 -0.490 1.00 0.00 C ATOM 280 OD1 ASN A 20 0.656 16.003 -1.117 1.00 0.00 O ATOM 281 ND2 ASN A 20 -0.820 16.252 0.556 1.00 0.00 N ATOM 0 H ASN A 20 1.010 12.893 0.829 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.024 13.711 1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.586 13.932 -1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.077 14.540 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.386 17.120 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.635 15.884 1.046 1.00 0.00 H new ATOM 288 N PHE A 21 -2.325 11.413 1.054 1.00 0.00 N ATOM 289 CA PHE A 21 -3.434 10.474 1.051 1.00 0.00 C ATOM 290 C PHE A 21 -3.978 10.282 2.465 1.00 0.00 C ATOM 291 O PHE A 21 -3.238 10.379 3.444 1.00 0.00 O ATOM 292 CB PHE A 21 -2.975 9.143 0.463 1.00 0.00 C ATOM 293 CG PHE A 21 -3.799 7.965 0.886 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.118 7.854 0.497 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.251 6.979 1.681 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.883 6.773 0.897 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.004 5.895 2.084 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.324 5.791 1.692 1.00 0.00 C ATOM 0 H PHE A 21 -1.704 11.327 1.858 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.239 10.874 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.995 9.214 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.939 8.969 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.558 8.619 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.220 7.057 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.915 6.697 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.562 5.130 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.917 4.945 2.006 1.00 0.00 H new ATOM 308 N GLN A 22 -5.275 10.009 2.565 1.00 0.00 N ATOM 309 CA GLN A 22 -5.916 9.804 3.858 1.00 0.00 C ATOM 310 C GLN A 22 -6.993 8.729 3.770 1.00 0.00 C ATOM 311 O GLN A 22 -7.987 8.890 3.061 1.00 0.00 O ATOM 312 CB GLN A 22 -6.526 11.114 4.362 1.00 0.00 C ATOM 313 CG GLN A 22 -5.552 11.975 5.149 1.00 0.00 C ATOM 314 CD GLN A 22 -6.010 13.416 5.263 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.698 13.788 6.214 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.630 14.237 4.291 1.00 0.00 N ATOM 0 H GLN A 22 -5.903 9.925 1.765 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.154 9.470 4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.896 11.684 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.387 10.886 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.428 11.557 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.575 11.945 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.060 13.887 3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.908 15.218 4.314 1.00 0.00 H new ATOM 325 N MET A 23 -6.789 7.633 4.493 1.00 0.00 N ATOM 326 CA MET A 23 -7.744 6.531 4.496 1.00 0.00 C ATOM 327 C MET A 23 -8.911 6.824 5.433 1.00 0.00 C ATOM 328 O MET A 23 -8.973 6.304 6.547 1.00 0.00 O ATOM 329 CB MET A 23 -7.054 5.231 4.914 1.00 0.00 C ATOM 330 CG MET A 23 -7.975 4.023 4.903 1.00 0.00 C ATOM 331 SD MET A 23 -7.127 2.506 4.421 1.00 0.00 S ATOM 332 CE MET A 23 -8.512 1.384 4.247 1.00 0.00 C ATOM 0 H MET A 23 -5.971 7.484 5.084 1.00 0.00 H new ATOM 0 HA MET A 23 -8.133 6.419 3.484 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.215 5.043 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.642 5.354 5.915 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.409 3.893 5.895 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.801 4.207 4.216 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.154 0.355 4.287 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.222 1.554 5.057 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.004 1.559 3.291 1.00 0.00 H new ATOM 342 N THR A 24 -9.836 7.662 4.973 1.00 0.00 N ATOM 343 CA THR A 24 -11.002 8.025 5.770 1.00 0.00 C ATOM 344 C THR A 24 -12.243 7.280 5.287 1.00 0.00 C ATOM 345 O THR A 24 -12.160 6.419 4.411 1.00 0.00 O ATOM 346 CB THR A 24 -11.240 9.535 5.703 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.689 10.076 4.515 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.639 10.288 6.871 1.00 0.00 C ATOM 0 H THR A 24 -9.800 8.102 4.053 1.00 0.00 H new ATOM 0 HA THR A 24 -10.809 7.740 6.804 1.00 0.00 H new ATOM 0 HB THR A 24 -12.323 9.659 5.730 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.852 11.042 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.844 11.353 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.078 9.928 7.801 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.561 10.126 6.892 1.00 0.00 H new ATOM 356 N ASP A 25 -13.393 7.616 5.865 1.00 0.00 N ATOM 357 CA ASP A 25 -14.652 6.978 5.493 1.00 0.00 C ATOM 358 C ASP A 25 -14.913 7.119 3.996 1.00 0.00 C ATOM 359 O ASP A 25 -15.538 6.254 3.382 1.00 0.00 O ATOM 360 CB ASP A 25 -15.810 7.589 6.284 1.00 0.00 C ATOM 361 CG ASP A 25 -16.041 6.886 7.607 1.00 0.00 C ATOM 362 OD1 ASP A 25 -16.504 5.726 7.589 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.759 7.494 8.661 1.00 0.00 O ATOM 0 H ASP A 25 -13.479 8.326 6.592 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.577 5.917 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.605 8.644 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.720 7.541 5.686 1.00 0.00 H new ATOM 368 N ASP A 26 -14.429 8.212 3.417 1.00 0.00 N ATOM 369 CA ASP A 26 -14.609 8.465 1.992 1.00 0.00 C ATOM 370 C ASP A 26 -13.834 7.452 1.154 1.00 0.00 C ATOM 371 O ASP A 26 -14.181 7.190 0.002 1.00 0.00 O ATOM 372 CB ASP A 26 -14.154 9.884 1.644 1.00 0.00 C ATOM 373 CG ASP A 26 -15.148 10.936 2.098 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.860 10.690 3.093 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.212 12.007 1.458 1.00 0.00 O ATOM 0 H ASP A 26 -13.909 8.937 3.912 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.670 8.362 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.187 10.077 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.012 9.963 0.566 1.00 0.00 H new ATOM 380 N ILE A 27 -12.782 6.884 1.738 1.00 0.00 N ATOM 381 CA ILE A 27 -11.961 5.902 1.049 1.00 0.00 C ATOM 382 C ILE A 27 -12.565 4.498 1.198 1.00 0.00 C ATOM 383 O ILE A 27 -12.834 4.058 2.316 1.00 0.00 O ATOM 384 CB ILE A 27 -10.526 5.912 1.612 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.869 7.271 1.362 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.691 4.799 0.997 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.725 7.610 -0.106 1.00 0.00 C ATOM 0 H ILE A 27 -12.480 7.090 2.690 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.930 6.164 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.581 5.739 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.459 8.047 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.883 7.281 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.683 4.829 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.148 3.835 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.643 4.935 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.252 8.587 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.109 6.855 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.710 7.633 -0.572 1.00 0.00 H new ATOM 399 N ASP A 28 -12.789 3.792 0.081 1.00 0.00 N ATOM 400 CA ASP A 28 -13.368 2.458 0.136 1.00 0.00 C ATOM 401 C ASP A 28 -12.361 1.387 -0.276 1.00 0.00 C ATOM 402 O ASP A 28 -12.283 0.336 0.360 1.00 0.00 O ATOM 403 CB ASP A 28 -14.611 2.374 -0.752 1.00 0.00 C ATOM 404 CG ASP A 28 -15.875 2.117 0.048 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.888 2.435 1.256 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.851 1.600 -0.534 1.00 0.00 O ATOM 0 H ASP A 28 -12.578 4.125 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.654 2.271 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.720 3.304 -1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.479 1.577 -1.484 1.00 0.00 H new ATOM 411 N GLU A 29 -11.587 1.639 -1.335 1.00 0.00 N ATOM 412 CA GLU A 29 -10.602 0.644 -1.776 1.00 0.00 C ATOM 413 C GLU A 29 -9.176 1.172 -1.682 1.00 0.00 C ATOM 414 O GLU A 29 -8.937 2.379 -1.668 1.00 0.00 O ATOM 415 CB GLU A 29 -10.856 0.150 -3.212 1.00 0.00 C ATOM 416 CG GLU A 29 -12.305 -0.136 -3.559 1.00 0.00 C ATOM 417 CD GLU A 29 -13.201 1.089 -3.520 1.00 0.00 C ATOM 418 OE1 GLU A 29 -12.673 2.218 -3.467 1.00 0.00 O ATOM 419 OE2 GLU A 29 -14.439 0.916 -3.551 1.00 0.00 O ATOM 0 H GLU A 29 -11.618 2.495 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.722 -0.198 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.475 0.898 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.276 -0.759 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.350 -0.575 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.694 -0.881 -2.865 1.00 0.00 H new ATOM 426 N VAL A 30 -8.236 0.235 -1.631 1.00 0.00 N ATOM 427 CA VAL A 30 -6.814 0.549 -1.551 1.00 0.00 C ATOM 428 C VAL A 30 -5.995 -0.601 -2.131 1.00 0.00 C ATOM 429 O VAL A 30 -5.924 -1.678 -1.540 1.00 0.00 O ATOM 430 CB VAL A 30 -6.370 0.804 -0.098 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.930 1.288 -0.057 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.297 1.806 0.574 1.00 0.00 C ATOM 0 H VAL A 30 -8.438 -0.765 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.644 1.459 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.428 -0.136 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.634 1.463 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.280 0.533 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.842 2.216 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.969 1.974 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.273 2.748 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.314 1.414 0.578 1.00 0.00 H new ATOM 442 N ARG A 31 -5.401 -0.382 -3.302 1.00 0.00 N ATOM 443 CA ARG A 31 -4.616 -1.427 -3.959 1.00 0.00 C ATOM 444 C ARG A 31 -3.126 -1.109 -3.980 1.00 0.00 C ATOM 445 O ARG A 31 -2.710 -0.030 -4.400 1.00 0.00 O ATOM 446 CB ARG A 31 -5.110 -1.661 -5.395 1.00 0.00 C ATOM 447 CG ARG A 31 -6.586 -1.350 -5.605 1.00 0.00 C ATOM 448 CD ARG A 31 -7.296 -2.484 -6.328 1.00 0.00 C ATOM 449 NE ARG A 31 -7.244 -2.329 -7.781 1.00 0.00 N ATOM 450 CZ ARG A 31 -8.165 -1.686 -8.496 1.00 0.00 C ATOM 451 NH1 ARG A 31 -9.211 -1.124 -7.900 1.00 0.00 N ATOM 452 NH2 ARG A 31 -8.039 -1.601 -9.813 1.00 0.00 N ATOM 0 H ARG A 31 -5.447 0.500 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.757 -2.334 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.520 -1.046 -6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.927 -2.701 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.063 -1.176 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.687 -0.430 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.839 -3.433 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.336 -2.524 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.453 -2.739 -8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.313 -1.183 -6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.912 -0.633 -8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.237 -2.028 -10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.744 -1.109 -10.362 1.00 0.00 H new ATOM 466 N TRP A 32 -2.329 -2.082 -3.548 1.00 0.00 N ATOM 467 CA TRP A 32 -0.875 -1.955 -3.536 1.00 0.00 C ATOM 468 C TRP A 32 -0.291 -2.889 -4.587 1.00 0.00 C ATOM 469 O TRP A 32 0.050 -4.034 -4.292 1.00 0.00 O ATOM 470 CB TRP A 32 -0.313 -2.307 -2.154 1.00 0.00 C ATOM 471 CG TRP A 32 -0.464 -1.213 -1.137 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.509 -1.029 -0.275 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.467 -0.159 -0.868 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.285 0.078 0.509 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.079 0.630 0.164 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.708 0.195 -1.401 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.577 1.751 0.670 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.358 1.307 -0.898 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.791 2.074 0.128 1.00 0.00 C ATOM 0 H TRP A 32 -2.671 -2.977 -3.198 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.602 -0.924 -3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.814 -3.202 -1.787 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.744 -2.552 -2.255 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.383 -1.661 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.914 0.431 1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.153 -0.390 -2.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.142 2.343 1.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.319 1.589 -1.303 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.323 2.938 0.499 1.00 0.00 H new ATOM 490 N GLU A 33 -0.209 -2.406 -5.823 1.00 0.00 N ATOM 491 CA GLU A 33 0.298 -3.223 -6.920 1.00 0.00 C ATOM 492 C GLU A 33 1.727 -2.859 -7.299 1.00 0.00 C ATOM 493 O GLU A 33 2.172 -1.727 -7.107 1.00 0.00 O ATOM 494 CB GLU A 33 -0.611 -3.081 -8.143 1.00 0.00 C ATOM 495 CG GLU A 33 -2.059 -3.458 -7.871 1.00 0.00 C ATOM 496 CD GLU A 33 -2.988 -3.046 -8.996 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.910 -3.656 -10.084 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.793 -2.115 -8.791 1.00 0.00 O ATOM 0 H GLU A 33 -0.485 -1.461 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 33 0.301 -4.258 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.573 -2.051 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.226 -3.708 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.129 -4.536 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.386 -2.987 -6.944 1.00 0.00 H new ATOM 505 N ARG A 34 2.430 -3.839 -7.854 1.00 0.00 N ATOM 506 CA ARG A 34 3.807 -3.662 -8.291 1.00 0.00 C ATOM 507 C ARG A 34 4.056 -4.499 -9.540 1.00 0.00 C ATOM 508 O ARG A 34 3.965 -5.727 -9.502 1.00 0.00 O ATOM 509 CB ARG A 34 4.779 -4.066 -7.182 1.00 0.00 C ATOM 510 CG ARG A 34 6.183 -3.514 -7.373 1.00 0.00 C ATOM 511 CD ARG A 34 7.242 -4.553 -7.040 1.00 0.00 C ATOM 512 NE ARG A 34 8.390 -4.473 -7.941 1.00 0.00 N ATOM 513 CZ ARG A 34 9.271 -5.457 -8.108 1.00 0.00 C ATOM 514 NH1 ARG A 34 9.141 -6.595 -7.440 1.00 0.00 N ATOM 515 NH2 ARG A 34 10.286 -5.301 -8.947 1.00 0.00 N ATOM 0 H ARG A 34 2.061 -4.777 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 34 3.972 -2.610 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.389 -3.721 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.829 -5.154 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.308 -3.184 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.320 -2.638 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.577 -4.412 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.804 -5.549 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 34 8.524 -3.613 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.362 -6.721 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.820 -7.345 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.391 -4.428 -9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.962 -6.054 -9.076 1.00 0.00 H new ATOM 529 N GLY A 35 4.351 -3.834 -10.652 1.00 0.00 N ATOM 530 CA GLY A 35 4.584 -4.549 -11.892 1.00 0.00 C ATOM 531 C GLY A 35 3.391 -5.394 -12.285 1.00 0.00 C ATOM 532 O GLY A 35 2.300 -4.872 -12.521 1.00 0.00 O ATOM 0 H GLY A 35 4.432 -2.819 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.803 -3.836 -12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.462 -5.186 -11.785 1.00 0.00 H new ATOM 536 N SER A 36 3.597 -6.699 -12.345 1.00 0.00 N ATOM 537 CA SER A 36 2.532 -7.628 -12.701 1.00 0.00 C ATOM 538 C SER A 36 2.209 -8.552 -11.529 1.00 0.00 C ATOM 539 O SER A 36 2.032 -9.757 -11.707 1.00 0.00 O ATOM 540 CB SER A 36 2.932 -8.453 -13.926 1.00 0.00 C ATOM 541 OG SER A 36 2.836 -7.685 -15.112 1.00 0.00 O ATOM 0 H SER A 36 4.495 -7.143 -12.151 1.00 0.00 H new ATOM 0 HA SER A 36 1.640 -7.049 -12.942 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.953 -8.816 -13.806 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.289 -9.330 -14.004 1.00 0.00 H new ATOM 0 HG SER A 36 3.099 -8.235 -15.880 1.00 0.00 H new ATOM 547 N THR A 37 2.145 -7.982 -10.328 1.00 0.00 N ATOM 548 CA THR A 37 1.855 -8.761 -9.128 1.00 0.00 C ATOM 549 C THR A 37 1.142 -7.910 -8.077 1.00 0.00 C ATOM 550 O THR A 37 1.211 -6.682 -8.109 1.00 0.00 O ATOM 551 CB THR A 37 3.158 -9.320 -8.549 1.00 0.00 C ATOM 552 OG1 THR A 37 3.796 -10.170 -9.484 1.00 0.00 O ATOM 553 CG2 THR A 37 2.970 -10.108 -7.270 1.00 0.00 C ATOM 0 H THR A 37 2.290 -6.986 -10.161 1.00 0.00 H new ATOM 0 HA THR A 37 1.194 -9.583 -9.404 1.00 0.00 H new ATOM 0 HB THR A 37 3.766 -8.444 -8.324 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.627 -10.516 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.937 -10.471 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.527 -9.466 -6.509 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.310 -10.955 -7.458 1.00 0.00 H new ATOM 561 N LEU A 38 0.480 -8.575 -7.131 1.00 0.00 N ATOM 562 CA LEU A 38 -0.221 -7.875 -6.054 1.00 0.00 C ATOM 563 C LEU A 38 0.552 -8.033 -4.757 1.00 0.00 C ATOM 564 O LEU A 38 1.196 -9.056 -4.526 1.00 0.00 O ATOM 565 CB LEU A 38 -1.643 -8.415 -5.851 1.00 0.00 C ATOM 566 CG LEU A 38 -2.771 -7.622 -6.522 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.049 -8.444 -6.514 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.981 -6.295 -5.809 1.00 0.00 C ATOM 0 H LEU A 38 0.414 -9.592 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.290 -6.824 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.677 -9.439 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.844 -8.457 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.495 -7.412 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.849 -7.878 -6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.887 -9.374 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.329 -8.671 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.785 -5.743 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.247 -6.479 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.062 -5.710 -5.851 1.00 0.00 H new ATOM 580 N VAL A 39 0.480 -7.022 -3.911 1.00 0.00 N ATOM 581 CA VAL A 39 1.165 -7.056 -2.636 1.00 0.00 C ATOM 582 C VAL A 39 0.161 -6.940 -1.494 1.00 0.00 C ATOM 583 O VAL A 39 0.232 -7.674 -0.507 1.00 0.00 O ATOM 584 CB VAL A 39 2.211 -5.925 -2.542 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.750 -5.796 -1.129 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.346 -6.171 -3.532 1.00 0.00 C ATOM 0 H VAL A 39 -0.047 -6.167 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 39 1.685 -8.010 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 39 1.722 -4.985 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.485 -4.992 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.931 -5.571 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.222 -6.733 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.077 -5.366 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.828 -7.122 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.945 -6.202 -4.545 1.00 0.00 H new ATOM 596 N ALA A 40 -0.784 -6.020 -1.651 1.00 0.00 N ATOM 597 CA ALA A 40 -1.817 -5.806 -0.644 1.00 0.00 C ATOM 598 C ALA A 40 -3.003 -5.037 -1.217 1.00 0.00 C ATOM 599 O ALA A 40 -2.889 -3.861 -1.559 1.00 0.00 O ATOM 600 CB ALA A 40 -1.241 -5.069 0.555 1.00 0.00 C ATOM 0 H ALA A 40 -0.856 -5.410 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.176 -6.783 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.023 -4.916 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.435 -5.659 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.851 -4.103 0.235 1.00 0.00 H new ATOM 606 N GLU A 41 -4.143 -5.712 -1.317 1.00 0.00 N ATOM 607 CA GLU A 41 -5.355 -5.096 -1.845 1.00 0.00 C ATOM 608 C GLU A 41 -6.472 -5.104 -0.806 1.00 0.00 C ATOM 609 O GLU A 41 -6.960 -6.164 -0.412 1.00 0.00 O ATOM 610 CB GLU A 41 -5.812 -5.826 -3.111 1.00 0.00 C ATOM 611 CG GLU A 41 -5.837 -4.938 -4.342 1.00 0.00 C ATOM 612 CD GLU A 41 -6.052 -5.721 -5.622 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.740 -6.763 -5.571 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.536 -5.292 -6.675 1.00 0.00 O ATOM 0 H GLU A 41 -4.253 -6.687 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.126 -4.060 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.148 -6.671 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.809 -6.235 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.630 -4.198 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.897 -4.390 -4.409 1.00 0.00 H new ATOM 621 N PHE A 42 -6.870 -3.916 -0.367 1.00 0.00 N ATOM 622 CA PHE A 42 -7.926 -3.778 0.624 1.00 0.00 C ATOM 623 C PHE A 42 -9.204 -3.243 -0.014 1.00 0.00 C ATOM 624 O PHE A 42 -9.157 -2.412 -0.922 1.00 0.00 O ATOM 625 CB PHE A 42 -7.469 -2.846 1.749 1.00 0.00 C ATOM 626 CG PHE A 42 -8.551 -2.513 2.737 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.465 -1.507 2.464 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.656 -3.203 3.933 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.463 -1.196 3.368 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.651 -2.896 4.841 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.556 -1.891 4.558 1.00 0.00 C ATOM 0 H PHE A 42 -6.474 -3.031 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.139 -4.763 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.637 -3.311 2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.092 -1.921 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.396 -0.961 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.952 -3.990 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.169 -0.410 3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.721 -3.441 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.335 -1.649 5.266 1.00 0.00 H new ATOM 748 N PRO A 48 -9.701 -8.938 1.780 1.00 0.00 N ATOM 749 CA PRO A 48 -8.585 -8.301 1.078 1.00 0.00 C ATOM 750 C PRO A 48 -7.640 -9.328 0.458 1.00 0.00 C ATOM 751 O PRO A 48 -7.942 -10.520 0.427 1.00 0.00 O ATOM 752 CB PRO A 48 -7.883 -7.526 2.189 1.00 0.00 C ATOM 753 CG PRO A 48 -8.134 -8.327 3.422 1.00 0.00 C ATOM 754 CD PRO A 48 -9.479 -8.986 3.239 1.00 0.00 C ATOM 0 HA PRO A 48 -8.914 -7.679 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -6.816 -7.428 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.284 -6.517 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.353 -9.073 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.132 -7.689 4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.476 -10.011 3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.262 -8.454 3.780 1.00 0.00 H new ATOM 762 N PHE A 49 -6.493 -8.861 -0.031 1.00 0.00 N ATOM 763 CA PHE A 49 -5.513 -9.754 -0.643 1.00 0.00 C ATOM 764 C PHE A 49 -4.105 -9.480 -0.126 1.00 0.00 C ATOM 765 O PHE A 49 -3.420 -8.582 -0.614 1.00 0.00 O ATOM 766 CB PHE A 49 -5.524 -9.623 -2.171 1.00 0.00 C ATOM 767 CG PHE A 49 -4.426 -10.412 -2.839 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.603 -11.755 -3.133 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.209 -9.818 -3.149 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.592 -12.487 -3.729 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.196 -10.547 -3.739 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.388 -11.883 -4.031 1.00 0.00 C ATOM 0 H PHE A 49 -6.221 -7.878 -0.016 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.797 -10.770 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.488 -9.959 -2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.424 -8.572 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.540 -12.235 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.053 -8.773 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.745 -13.531 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.254 -10.073 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.598 -12.454 -4.495 1.00 0.00 H new ATOM 782 N LEU A 50 -3.665 -10.279 0.837 1.00 0.00 N ATOM 783 CA LEU A 50 -2.329 -10.143 1.384 1.00 0.00 C ATOM 784 C LEU A 50 -1.396 -11.115 0.664 1.00 0.00 C ATOM 785 O LEU A 50 -1.553 -12.331 0.779 1.00 0.00 O ATOM 786 CB LEU A 50 -2.345 -10.417 2.889 1.00 0.00 C ATOM 787 CG LEU A 50 -2.564 -9.181 3.771 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.467 -9.546 5.244 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.558 -8.092 3.428 1.00 0.00 C ATOM 0 H LEU A 50 -4.218 -11.028 1.254 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.970 -9.125 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.131 -11.141 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.399 -10.881 3.169 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.566 -8.800 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.625 -8.655 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.227 -10.289 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.479 -9.956 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.730 -7.224 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.547 -8.466 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.675 -7.805 2.383 1.00 0.00 H new ATOM 801 N LYS A 51 -0.449 -10.575 -0.108 1.00 0.00 N ATOM 802 CA LYS A 51 0.489 -11.394 -0.888 1.00 0.00 C ATOM 803 C LYS A 51 0.875 -12.697 -0.173 1.00 0.00 C ATOM 804 O LYS A 51 0.231 -13.728 -0.371 1.00 0.00 O ATOM 805 CB LYS A 51 1.737 -10.578 -1.233 1.00 0.00 C ATOM 806 CG LYS A 51 2.848 -11.392 -1.877 1.00 0.00 C ATOM 807 CD LYS A 51 3.871 -10.498 -2.559 1.00 0.00 C ATOM 808 CE LYS A 51 4.607 -11.236 -3.667 1.00 0.00 C ATOM 809 NZ LYS A 51 5.928 -11.748 -3.209 1.00 0.00 N ATOM 0 H LYS A 51 -0.310 -9.570 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.022 -11.682 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.455 -9.769 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.120 -10.116 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.342 -11.999 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.420 -12.080 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.371 -9.622 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.589 -10.137 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.996 -12.068 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.751 -10.567 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.398 -12.245 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.520 -10.952 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.789 -12.406 -2.416 1.00 0.00 H new ATOM 823 N SER A 52 1.932 -12.659 0.635 1.00 0.00 N ATOM 824 CA SER A 52 2.387 -13.857 1.339 1.00 0.00 C ATOM 825 C SER A 52 2.328 -13.686 2.855 1.00 0.00 C ATOM 826 O SER A 52 3.038 -14.374 3.590 1.00 0.00 O ATOM 827 CB SER A 52 3.815 -14.205 0.915 1.00 0.00 C ATOM 828 OG SER A 52 4.156 -15.524 1.303 1.00 0.00 O ATOM 0 H SER A 52 2.485 -11.822 0.818 1.00 0.00 H new ATOM 0 HA SER A 52 1.713 -14.670 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.911 -14.104 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.513 -13.499 1.364 1.00 0.00 H new ATOM 0 HG SER A 52 3.912 -15.662 2.242 1.00 0.00 H new ATOM 834 N GLY A 53 1.481 -12.775 3.319 1.00 0.00 N ATOM 835 CA GLY A 53 1.354 -12.549 4.748 1.00 0.00 C ATOM 836 C GLY A 53 2.548 -11.811 5.342 1.00 0.00 C ATOM 837 O GLY A 53 2.574 -11.550 6.545 1.00 0.00 O ATOM 0 H GLY A 53 0.882 -12.191 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.447 -11.976 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.238 -13.508 5.253 1.00 0.00 H new ATOM 841 N ALA A 54 3.538 -11.465 4.510 1.00 0.00 N ATOM 842 CA ALA A 54 4.715 -10.748 4.991 1.00 0.00 C ATOM 843 C ALA A 54 4.464 -9.242 5.022 1.00 0.00 C ATOM 844 O ALA A 54 5.375 -8.455 5.286 1.00 0.00 O ATOM 845 CB ALA A 54 5.918 -11.064 4.115 1.00 0.00 C ATOM 0 H ALA A 54 3.544 -11.670 3.511 1.00 0.00 H new ATOM 0 HA ALA A 54 4.922 -11.078 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.789 -10.523 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.117 -12.135 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.711 -10.760 3.089 1.00 0.00 H new ATOM 851 N PHE A 55 3.223 -8.848 4.747 1.00 0.00 N ATOM 852 CA PHE A 55 2.848 -7.443 4.737 1.00 0.00 C ATOM 853 C PHE A 55 1.648 -7.193 5.639 1.00 0.00 C ATOM 854 O PHE A 55 0.879 -8.107 5.936 1.00 0.00 O ATOM 855 CB PHE A 55 2.509 -7.004 3.316 1.00 0.00 C ATOM 856 CG PHE A 55 3.578 -7.328 2.316 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.591 -6.424 2.058 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.567 -8.532 1.630 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.577 -6.709 1.138 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.552 -8.826 0.706 1.00 0.00 C ATOM 861 CZ PHE A 55 5.559 -7.913 0.459 1.00 0.00 C ATOM 0 H PHE A 55 2.460 -9.488 4.528 1.00 0.00 H new ATOM 0 HA PHE A 55 3.694 -6.865 5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.579 -7.483 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.331 -5.929 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.610 -5.481 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.781 -9.248 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.363 -5.993 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.534 -9.768 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.330 -8.139 -0.263 1.00 0.00 H new ATOM 871 N GLU A 56 1.490 -5.947 6.061 1.00 0.00 N ATOM 872 CA GLU A 56 0.377 -5.569 6.918 1.00 0.00 C ATOM 873 C GLU A 56 -0.168 -4.209 6.503 1.00 0.00 C ATOM 874 O GLU A 56 0.547 -3.204 6.537 1.00 0.00 O ATOM 875 CB GLU A 56 0.814 -5.538 8.383 1.00 0.00 C ATOM 876 CG GLU A 56 -0.287 -5.929 9.355 1.00 0.00 C ATOM 877 CD GLU A 56 -0.921 -4.728 10.030 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.200 -3.740 10.285 1.00 0.00 O ATOM 879 OE2 GLU A 56 -2.139 -4.776 10.304 1.00 0.00 O ATOM 0 H GLU A 56 2.119 -5.180 5.823 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.412 -6.313 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.660 -6.212 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.164 -4.535 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.055 -6.489 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.123 -6.594 10.115 1.00 0.00 H new ATOM 886 N ILE A 57 -1.433 -4.184 6.102 1.00 0.00 N ATOM 887 CA ILE A 57 -2.068 -2.943 5.673 1.00 0.00 C ATOM 888 C ILE A 57 -2.424 -2.063 6.868 1.00 0.00 C ATOM 889 O ILE A 57 -3.415 -2.299 7.559 1.00 0.00 O ATOM 890 CB ILE A 57 -3.337 -3.213 4.832 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.884 -1.901 4.267 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.400 -3.926 5.661 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.595 -2.065 2.941 1.00 0.00 C ATOM 0 H ILE A 57 -2.038 -5.005 6.065 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.344 -2.418 5.049 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.067 -3.866 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.574 -1.463 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.061 -1.196 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.282 -4.104 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.007 -4.879 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.672 -3.306 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.957 -1.095 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.903 -2.474 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.438 -2.745 3.062 1.00 0.00 H new ATOM 905 N LEU A 58 -1.604 -1.045 7.108 1.00 0.00 N ATOM 906 CA LEU A 58 -1.824 -0.125 8.219 1.00 0.00 C ATOM 907 C LEU A 58 -3.236 0.455 8.181 1.00 0.00 C ATOM 908 O LEU A 58 -3.918 0.390 7.159 1.00 0.00 O ATOM 909 CB LEU A 58 -0.787 1.003 8.185 1.00 0.00 C ATOM 910 CG LEU A 58 0.191 1.027 9.362 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.759 -0.362 9.620 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.313 2.019 9.097 1.00 0.00 C ATOM 0 H LEU A 58 -0.779 -0.836 6.546 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.712 -0.683 9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.215 0.921 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.313 1.957 8.151 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.352 1.344 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.452 -0.321 10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.054 -1.050 9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.286 -0.710 8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.001 2.025 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.850 1.728 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.893 3.016 8.964 1.00 0.00 H new ATOM 924 N ALA A 59 -3.667 1.019 9.305 1.00 0.00 N ATOM 925 CA ALA A 59 -4.999 1.606 9.405 1.00 0.00 C ATOM 926 C ALA A 59 -5.126 2.867 8.554 1.00 0.00 C ATOM 927 O ALA A 59 -6.232 3.269 8.194 1.00 0.00 O ATOM 928 CB ALA A 59 -5.325 1.916 10.858 1.00 0.00 C ATOM 0 H ALA A 59 -3.113 1.082 10.159 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.714 0.877 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.321 2.354 10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.295 0.996 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.593 2.621 11.253 1.00 0.00 H new ATOM 934 N ASN A 60 -3.995 3.491 8.236 1.00 0.00 N ATOM 935 CA ASN A 60 -4.000 4.707 7.430 1.00 0.00 C ATOM 936 C ASN A 60 -3.708 4.396 5.964 1.00 0.00 C ATOM 937 O ASN A 60 -3.094 5.198 5.260 1.00 0.00 O ATOM 938 CB ASN A 60 -2.977 5.714 7.967 1.00 0.00 C ATOM 939 CG ASN A 60 -1.632 5.082 8.268 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.712 5.133 7.452 1.00 0.00 O ATOM 941 ND2 ASN A 60 -1.508 4.488 9.450 1.00 0.00 N ATOM 0 H ASN A 60 -3.068 3.176 8.523 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.996 5.146 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.843 6.513 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.368 6.174 8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.624 4.051 9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.297 4.469 10.096 1.00 0.00 H new ATOM 948 N GLY A 61 -4.159 3.230 5.507 1.00 0.00 N ATOM 949 CA GLY A 61 -3.943 2.839 4.125 1.00 0.00 C ATOM 950 C GLY A 61 -2.474 2.805 3.748 1.00 0.00 C ATOM 951 O GLY A 61 -2.108 3.153 2.625 1.00 0.00 O ATOM 0 H GLY A 61 -4.670 2.550 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.379 1.854 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.466 3.535 3.469 1.00 0.00 H new ATOM 955 N ASP A 62 -1.630 2.385 4.684 1.00 0.00 N ATOM 956 CA ASP A 62 -0.193 2.308 4.437 1.00 0.00 C ATOM 957 C ASP A 62 0.264 0.855 4.325 1.00 0.00 C ATOM 958 O ASP A 62 -0.475 -0.067 4.671 1.00 0.00 O ATOM 959 CB ASP A 62 0.584 3.020 5.549 1.00 0.00 C ATOM 960 CG ASP A 62 1.371 4.210 5.032 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.744 5.237 4.702 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.614 4.113 4.957 1.00 0.00 O ATOM 0 H ASP A 62 -1.914 2.093 5.619 1.00 0.00 H new ATOM 0 HA ASP A 62 0.012 2.808 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.112 3.354 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.267 2.314 6.022 1.00 0.00 H new ATOM 967 N LEU A 63 1.485 0.660 3.837 1.00 0.00 N ATOM 968 CA LEU A 63 2.042 -0.687 3.676 1.00 0.00 C ATOM 969 C LEU A 63 3.127 -0.955 4.715 1.00 0.00 C ATOM 970 O LEU A 63 4.123 -0.237 4.779 1.00 0.00 O ATOM 971 CB LEU A 63 2.634 -0.844 2.276 1.00 0.00 C ATOM 972 CG LEU A 63 2.923 -2.281 1.848 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.646 -2.976 1.406 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.953 -2.296 0.732 1.00 0.00 C ATOM 0 H LEU A 63 2.109 1.412 3.546 1.00 0.00 H new ATOM 0 HA LEU A 63 1.235 -1.406 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.946 -0.399 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.561 -0.274 2.225 1.00 0.00 H new ATOM 0 HG LEU A 63 3.326 -2.824 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.874 -3.999 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.935 -2.991 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.212 -2.438 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.152 -3.326 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.571 -1.738 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.876 -1.835 1.083 1.00 0.00 H new ATOM 986 N LYS A 64 2.936 -1.993 5.525 1.00 0.00 N ATOM 987 CA LYS A 64 3.913 -2.341 6.549 1.00 0.00 C ATOM 988 C LYS A 64 4.643 -3.632 6.186 1.00 0.00 C ATOM 989 O LYS A 64 4.094 -4.724 6.322 1.00 0.00 O ATOM 990 CB LYS A 64 3.227 -2.494 7.908 1.00 0.00 C ATOM 991 CG LYS A 64 4.188 -2.810 9.042 1.00 0.00 C ATOM 992 CD LYS A 64 4.222 -4.299 9.346 1.00 0.00 C ATOM 993 CE LYS A 64 5.058 -4.598 10.579 1.00 0.00 C ATOM 994 NZ LYS A 64 4.526 -5.761 11.343 1.00 0.00 N ATOM 0 H LYS A 64 2.119 -2.603 5.492 1.00 0.00 H new ATOM 0 HA LYS A 64 4.644 -1.535 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.693 -1.573 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.482 -3.287 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.189 -2.469 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.890 -2.262 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.206 -4.664 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.630 -4.837 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.086 -4.800 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.080 -3.720 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.124 -5.932 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.553 -5.559 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.528 -6.605 10.736 1.00 0.00 H new ATOM 1008 N ILE A 65 5.884 -3.498 5.726 1.00 0.00 N ATOM 1009 CA ILE A 65 6.685 -4.659 5.348 1.00 0.00 C ATOM 1010 C ILE A 65 7.286 -5.322 6.587 1.00 0.00 C ATOM 1011 O ILE A 65 7.806 -4.643 7.472 1.00 0.00 O ATOM 1012 CB ILE A 65 7.818 -4.272 4.376 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.325 -3.210 3.376 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.340 -5.509 3.657 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.272 -2.964 2.219 1.00 0.00 C ATOM 0 H ILE A 65 6.355 -2.601 5.606 1.00 0.00 H new ATOM 0 HA ILE A 65 6.021 -5.361 4.844 1.00 0.00 H new ATOM 0 HB ILE A 65 8.642 -3.840 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.358 -3.520 2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.166 -2.272 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.139 -5.222 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.725 -6.220 4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.530 -5.971 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.852 -2.203 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.233 -2.622 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.412 -3.890 1.661 1.00 0.00 H new ATOM 1027 N LYS A 66 7.200 -6.649 6.652 1.00 0.00 N ATOM 1028 CA LYS A 66 7.725 -7.394 7.797 1.00 0.00 C ATOM 1029 C LYS A 66 9.237 -7.570 7.709 1.00 0.00 C ATOM 1030 O LYS A 66 9.962 -7.320 8.672 1.00 0.00 O ATOM 1031 CB LYS A 66 7.045 -8.761 7.901 1.00 0.00 C ATOM 1032 CG LYS A 66 7.540 -9.605 9.066 1.00 0.00 C ATOM 1033 CD LYS A 66 7.726 -11.060 8.663 1.00 0.00 C ATOM 1034 CE LYS A 66 8.189 -11.907 9.837 1.00 0.00 C ATOM 1035 NZ LYS A 66 9.583 -11.579 10.241 1.00 0.00 N ATOM 0 H LYS A 66 6.774 -7.229 5.929 1.00 0.00 H new ATOM 0 HA LYS A 66 7.506 -6.814 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.970 -8.615 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.207 -9.309 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.486 -9.204 9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.829 -9.543 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.787 -11.455 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.456 -11.125 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.520 -11.752 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.127 -12.962 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.897 -12.245 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.210 -11.653 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.617 -10.609 10.616 1.00 0.00 H new ATOM 1049 N ASN A 67 9.697 -8.003 6.551 1.00 0.00 N ATOM 1050 CA ASN A 67 11.118 -8.223 6.317 1.00 0.00 C ATOM 1051 C ASN A 67 11.465 -7.926 4.864 1.00 0.00 C ATOM 1052 O ASN A 67 11.020 -8.624 3.953 1.00 0.00 O ATOM 1053 CB ASN A 67 11.498 -9.664 6.667 1.00 0.00 C ATOM 1054 CG ASN A 67 12.445 -9.740 7.850 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.442 -8.868 8.719 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.259 -10.788 7.889 1.00 0.00 N ATOM 0 H ASN A 67 9.104 -8.212 5.748 1.00 0.00 H new ATOM 0 HA ASN A 67 11.685 -7.547 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.595 -10.231 6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.964 -10.135 5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.917 -10.895 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.227 -11.487 7.147 1.00 0.00 H new ATOM 1063 N LEU A 68 12.252 -6.880 4.655 1.00 0.00 N ATOM 1064 CA LEU A 68 12.649 -6.477 3.317 1.00 0.00 C ATOM 1065 C LEU A 68 13.271 -7.630 2.543 1.00 0.00 C ATOM 1066 O LEU A 68 13.900 -8.518 3.118 1.00 0.00 O ATOM 1067 CB LEU A 68 13.618 -5.305 3.396 1.00 0.00 C ATOM 1068 CG LEU A 68 12.950 -3.963 3.673 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.852 -3.076 4.514 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.579 -3.278 2.370 1.00 0.00 C ATOM 0 H LEU A 68 12.629 -6.294 5.400 1.00 0.00 H new ATOM 0 HA LEU A 68 11.753 -6.169 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.349 -5.504 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.168 -5.238 2.457 1.00 0.00 H new ATOM 0 HG LEU A 68 12.035 -4.143 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.355 -2.124 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.062 -3.567 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.787 -2.900 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.103 -2.321 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.479 -3.111 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.888 -3.909 1.811 1.00 0.00 H new ATOM 1082 N THR A 69 13.082 -7.602 1.231 1.00 0.00 N ATOM 1083 CA THR A 69 13.613 -8.640 0.353 1.00 0.00 C ATOM 1084 C THR A 69 13.882 -8.090 -1.045 1.00 0.00 C ATOM 1085 O THR A 69 13.345 -7.051 -1.430 1.00 0.00 O ATOM 1086 CB THR A 69 12.640 -9.817 0.276 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.304 -9.358 0.166 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.713 -10.731 1.479 1.00 0.00 C ATOM 0 H THR A 69 12.563 -6.869 0.748 1.00 0.00 H new ATOM 0 HA THR A 69 14.558 -8.986 0.771 1.00 0.00 H new ATOM 0 HB THR A 69 12.937 -10.381 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.697 -10.126 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.998 -11.545 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.719 -11.141 1.564 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.475 -10.166 2.380 1.00 0.00 H new ATOM 1096 N ARG A 70 14.720 -8.795 -1.802 1.00 0.00 N ATOM 1097 CA ARG A 70 15.069 -8.377 -3.162 1.00 0.00 C ATOM 1098 C ARG A 70 13.818 -8.095 -3.987 1.00 0.00 C ATOM 1099 O ARG A 70 13.649 -7.001 -4.524 1.00 0.00 O ATOM 1100 CB ARG A 70 15.917 -9.450 -3.858 1.00 0.00 C ATOM 1101 CG ARG A 70 16.964 -10.103 -2.963 1.00 0.00 C ATOM 1102 CD ARG A 70 16.705 -11.592 -2.793 1.00 0.00 C ATOM 1103 NE ARG A 70 15.323 -11.869 -2.409 1.00 0.00 N ATOM 1104 CZ ARG A 70 14.923 -13.008 -1.845 1.00 0.00 C ATOM 1105 NH1 ARG A 70 15.796 -13.978 -1.600 1.00 0.00 N ATOM 1106 NH2 ARG A 70 13.647 -13.177 -1.526 1.00 0.00 N ATOM 0 H ARG A 70 15.171 -9.658 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 70 15.650 -7.458 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.255 -10.224 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.419 -9.000 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.955 -9.952 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 70 16.962 -9.619 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.932 -12.108 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 70 17.379 -11.993 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 70 14.623 -11.148 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.779 -13.853 -1.844 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.484 -14.848 -1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.972 -12.435 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.340 -14.049 -1.094 1.00 0.00 H new ATOM 1120 N ASP A 71 12.942 -9.090 -4.084 1.00 0.00 N ATOM 1121 CA ASP A 71 11.706 -8.950 -4.843 1.00 0.00 C ATOM 1122 C ASP A 71 10.892 -7.748 -4.364 1.00 0.00 C ATOM 1123 O ASP A 71 10.040 -7.238 -5.092 1.00 0.00 O ATOM 1124 CB ASP A 71 10.865 -10.225 -4.730 1.00 0.00 C ATOM 1125 CG ASP A 71 9.589 -10.153 -5.544 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.557 -9.390 -6.533 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.620 -10.859 -5.192 1.00 0.00 O ATOM 0 H ASP A 71 13.066 -10.003 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 71 11.974 -8.786 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.457 -11.077 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.615 -10.400 -3.684 1.00 0.00 H new ATOM 1132 N ASP A 72 11.155 -7.297 -3.139 1.00 0.00 N ATOM 1133 CA ASP A 72 10.437 -6.157 -2.580 1.00 0.00 C ATOM 1134 C ASP A 72 11.019 -4.833 -3.076 1.00 0.00 C ATOM 1135 O ASP A 72 10.386 -3.786 -2.950 1.00 0.00 O ATOM 1136 CB ASP A 72 10.467 -6.205 -1.051 1.00 0.00 C ATOM 1137 CG ASP A 72 9.118 -5.888 -0.437 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.244 -6.781 -0.428 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.934 -4.747 0.036 1.00 0.00 O ATOM 0 H ASP A 72 11.856 -7.702 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 72 9.403 -6.218 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.787 -7.196 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.207 -5.495 -0.682 1.00 0.00 H new ATOM 1144 N SER A 73 12.223 -4.882 -3.643 1.00 0.00 N ATOM 1145 CA SER A 73 12.873 -3.680 -4.156 1.00 0.00 C ATOM 1146 C SER A 73 12.301 -3.301 -5.516 1.00 0.00 C ATOM 1147 O SER A 73 12.224 -4.135 -6.418 1.00 0.00 O ATOM 1148 CB SER A 73 14.383 -3.897 -4.270 1.00 0.00 C ATOM 1149 OG SER A 73 15.071 -2.662 -4.372 1.00 0.00 O ATOM 0 H SER A 73 12.766 -5.738 -3.758 1.00 0.00 H new ATOM 0 HA SER A 73 12.684 -2.866 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.741 -4.445 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.600 -4.511 -5.144 1.00 0.00 H new ATOM 0 HG SER A 73 14.464 -1.929 -4.137 1.00 0.00 H new ATOM 1155 N GLY A 74 11.899 -2.042 -5.662 1.00 0.00 N ATOM 1156 CA GLY A 74 11.343 -1.593 -6.913 1.00 0.00 C ATOM 1157 C GLY A 74 10.339 -0.475 -6.728 1.00 0.00 C ATOM 1158 O GLY A 74 10.242 0.118 -5.655 1.00 0.00 O ATOM 0 H GLY A 74 11.951 -1.330 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.148 -1.251 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.861 -2.432 -7.415 1.00 0.00 H new ATOM 1162 N THR A 75 9.602 -0.192 -7.785 1.00 0.00 N ATOM 1163 CA THR A 75 8.593 0.865 -7.775 1.00 0.00 C ATOM 1164 C THR A 75 7.220 0.322 -7.382 1.00 0.00 C ATOM 1165 O THR A 75 6.715 -0.618 -7.998 1.00 0.00 O ATOM 1166 CB THR A 75 8.520 1.486 -9.167 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.750 1.326 -9.852 1.00 0.00 O ATOM 1168 CG2 THR A 75 8.197 2.957 -9.151 1.00 0.00 C ATOM 0 H THR A 75 9.681 -0.683 -8.675 1.00 0.00 H new ATOM 0 HA THR A 75 8.879 1.614 -7.037 1.00 0.00 H new ATOM 0 HB THR A 75 7.711 0.959 -9.674 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.683 1.729 -10.743 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.161 3.333 -10.174 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.230 3.112 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.966 3.492 -8.595 1.00 0.00 H new ATOM 1176 N TYR A 76 6.614 0.929 -6.365 1.00 0.00 N ATOM 1177 CA TYR A 76 5.290 0.518 -5.906 1.00 0.00 C ATOM 1178 C TYR A 76 4.230 1.477 -6.433 1.00 0.00 C ATOM 1179 O TYR A 76 4.502 2.661 -6.635 1.00 0.00 O ATOM 1180 CB TYR A 76 5.235 0.473 -4.376 1.00 0.00 C ATOM 1181 CG TYR A 76 5.936 -0.722 -3.772 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.313 -0.864 -3.871 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.221 -1.705 -3.098 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.960 -1.951 -3.315 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.862 -2.795 -2.537 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.230 -2.913 -2.648 1.00 0.00 C ATOM 1187 OH TYR A 76 7.869 -3.996 -2.088 1.00 0.00 O ATOM 0 H TYR A 76 7.018 1.707 -5.843 1.00 0.00 H new ATOM 0 HA TYR A 76 5.091 -0.482 -6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.684 1.384 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.192 0.468 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.888 -0.113 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.148 -1.616 -3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.032 -2.047 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.293 -3.550 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 76 8.046 -3.818 -1.141 1.00 0.00 H new ATOM 1197 N ASN A 77 3.027 0.965 -6.664 1.00 0.00 N ATOM 1198 CA ASN A 77 1.938 1.787 -7.178 1.00 0.00 C ATOM 1199 C ASN A 77 0.659 1.595 -6.367 1.00 0.00 C ATOM 1200 O ASN A 77 0.153 0.476 -6.244 1.00 0.00 O ATOM 1201 CB ASN A 77 1.673 1.442 -8.644 1.00 0.00 C ATOM 1202 CG ASN A 77 2.480 2.299 -9.599 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.151 3.461 -9.838 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.543 1.728 -10.153 1.00 0.00 N ATOM 0 H ASN A 77 2.781 -0.012 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 77 2.239 2.831 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.910 0.392 -8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.611 1.568 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.123 2.255 -10.805 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.779 0.762 -9.926 1.00 0.00 H new ATOM 1211 N VAL A 78 0.131 2.693 -5.829 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.099 2.637 -5.049 1.00 0.00 C ATOM 1213 C VAL A 78 -2.260 3.269 -5.811 1.00 0.00 C ATOM 1214 O VAL A 78 -2.162 4.408 -6.278 1.00 0.00 O ATOM 1215 CB VAL A 78 -0.991 3.349 -3.679 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.801 2.592 -2.634 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.459 3.519 -3.230 1.00 0.00 C ATOM 0 H VAL A 78 0.534 3.626 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.277 1.576 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.403 4.352 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.720 3.100 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.847 2.558 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.417 1.576 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.484 4.023 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.929 2.540 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.000 4.115 -3.965 1.00 0.00 H new ATOM 1227 N THR A 79 -3.365 2.533 -5.907 1.00 0.00 N ATOM 1228 CA THR A 79 -4.558 3.022 -6.583 1.00 0.00 C ATOM 1229 C THR A 79 -5.686 3.193 -5.572 1.00 0.00 C ATOM 1230 O THR A 79 -6.361 2.230 -5.208 1.00 0.00 O ATOM 1231 CB THR A 79 -4.986 2.065 -7.699 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.018 1.046 -7.887 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.187 2.758 -9.028 1.00 0.00 C ATOM 0 H THR A 79 -3.456 1.593 -5.523 1.00 0.00 H new ATOM 0 HA THR A 79 -4.331 3.987 -7.036 1.00 0.00 H new ATOM 0 HB THR A 79 -5.939 1.646 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.311 0.444 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.489 2.027 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.962 3.518 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.254 3.230 -9.337 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.869 4.423 -5.111 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.901 4.724 -4.127 1.00 0.00 C ATOM 1243 C VAL A 80 -8.240 5.003 -4.802 1.00 0.00 C ATOM 1244 O VAL A 80 -8.304 5.685 -5.825 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.499 5.934 -3.248 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.629 6.330 -2.310 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.231 5.635 -2.453 1.00 0.00 C ATOM 0 H VAL A 80 -5.316 5.229 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.005 3.846 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.298 6.773 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.318 7.182 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.509 6.601 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.871 5.491 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.971 6.501 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.402 4.775 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.414 5.416 -3.140 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.306 4.465 -4.219 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.645 4.647 -4.756 1.00 0.00 C ATOM 1259 C TYR A 81 -11.632 5.055 -3.673 1.00 0.00 C ATOM 1260 O TYR A 81 -11.467 4.731 -2.491 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.139 3.373 -5.413 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.406 3.008 -6.681 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.676 3.658 -7.880 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.440 2.012 -6.679 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.001 3.323 -9.040 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.762 1.672 -7.833 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.045 2.330 -9.010 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.372 1.995 -10.163 1.00 0.00 O ATOM 0 H TYR A 81 -9.266 3.898 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.583 5.444 -5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.046 2.551 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.200 3.481 -5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.424 4.436 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.214 1.494 -5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.222 3.836 -9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.013 0.894 -7.813 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.732 1.278 -9.972 1.00 0.00 H new ATOM 1278 N SER A 82 -12.669 5.749 -4.115 1.00 0.00 N ATOM 1279 CA SER A 82 -13.729 6.233 -3.237 1.00 0.00 C ATOM 1280 C SER A 82 -14.827 5.188 -3.060 1.00 0.00 C ATOM 1281 O SER A 82 -14.757 4.093 -3.618 1.00 0.00 O ATOM 1282 CB SER A 82 -14.332 7.523 -3.802 1.00 0.00 C ATOM 1283 OG SER A 82 -13.847 7.789 -5.106 1.00 0.00 O ATOM 0 H SER A 82 -12.802 5.995 -5.096 1.00 0.00 H new ATOM 0 HA SER A 82 -13.287 6.432 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.419 7.439 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.091 8.358 -3.144 1.00 0.00 H new ATOM 0 HG SER A 82 -14.212 8.641 -5.423 1.00 0.00 H new ATOM 1289 N THR A 83 -15.843 5.543 -2.280 1.00 0.00 N ATOM 1290 CA THR A 83 -16.968 4.649 -2.025 1.00 0.00 C ATOM 1291 C THR A 83 -17.764 4.397 -3.301 1.00 0.00 C ATOM 1292 O THR A 83 -18.278 3.299 -3.516 1.00 0.00 O ATOM 1293 CB THR A 83 -17.885 5.238 -0.950 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.296 6.548 -1.304 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.240 5.313 0.418 1.00 0.00 C ATOM 0 H THR A 83 -15.911 6.447 -1.812 1.00 0.00 H new ATOM 0 HA THR A 83 -16.568 3.699 -1.672 1.00 0.00 H new ATOM 0 HB THR A 83 -18.735 4.558 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.883 6.907 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.946 5.740 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 83 -16.958 4.311 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.351 5.942 0.367 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.865 5.420 -4.142 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.602 5.309 -5.398 1.00 0.00 C ATOM 1305 C ASN A 84 -17.789 4.568 -6.459 1.00 0.00 C ATOM 1306 O ASN A 84 -18.277 4.322 -7.563 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.984 6.698 -5.911 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.058 7.352 -5.064 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -21.247 7.254 -5.365 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -19.642 8.026 -3.997 1.00 0.00 N ATOM 0 H ASN A 84 -17.447 6.336 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.507 4.734 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.099 7.334 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.335 6.618 -6.940 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.319 8.488 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.646 8.081 -3.785 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.551 4.215 -6.126 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.704 3.509 -7.069 1.00 0.00 C ATOM 1319 C GLY A 85 -14.970 4.448 -8.007 1.00 0.00 C ATOM 1320 O GLY A 85 -14.588 4.059 -9.111 1.00 0.00 O ATOM 0 H GLY A 85 -16.120 4.405 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.979 2.908 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.313 2.819 -7.654 1.00 0.00 H new ATOM 1324 N THR A 86 -14.772 5.686 -7.568 1.00 0.00 N ATOM 1325 CA THR A 86 -14.079 6.682 -8.377 1.00 0.00 C ATOM 1326 C THR A 86 -12.599 6.741 -8.009 1.00 0.00 C ATOM 1327 O THR A 86 -12.200 6.306 -6.930 1.00 0.00 O ATOM 1328 CB THR A 86 -14.720 8.059 -8.190 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.023 7.937 -7.649 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.829 8.848 -9.477 1.00 0.00 C ATOM 0 H THR A 86 -15.081 6.024 -6.657 1.00 0.00 H new ATOM 0 HA THR A 86 -14.165 6.391 -9.424 1.00 0.00 H new ATOM 0 HB THR A 86 -14.059 8.595 -7.509 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.415 8.828 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.292 9.814 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.834 9.003 -9.894 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.440 8.296 -10.191 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.790 7.282 -8.914 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.354 7.397 -8.681 1.00 0.00 C ATOM 1340 C ARG A 87 -10.049 8.584 -7.774 1.00 0.00 C ATOM 1341 O ARG A 87 -10.140 9.738 -8.192 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.597 7.542 -10.006 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.288 6.879 -11.190 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.299 6.130 -12.071 1.00 0.00 C ATOM 1345 NE ARG A 87 -9.105 6.789 -13.361 1.00 0.00 N ATOM 1346 CZ ARG A 87 -8.316 7.845 -13.543 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -7.646 8.367 -12.523 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -8.197 8.383 -14.749 1.00 0.00 N ATOM 0 H ARG A 87 -12.103 7.647 -9.814 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.021 6.484 -8.188 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.465 8.602 -10.223 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.601 7.113 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.048 6.188 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.802 7.636 -11.782 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.341 6.053 -11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.656 5.113 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.604 6.418 -14.169 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.734 7.959 -11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.043 9.176 -12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.710 7.987 -15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.592 9.192 -14.889 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.692 8.291 -6.529 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.379 9.331 -5.557 1.00 0.00 C ATOM 1364 C ILE A 88 -7.909 9.736 -5.632 1.00 0.00 C ATOM 1365 O ILE A 88 -7.583 10.921 -5.585 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.707 8.871 -4.121 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.201 8.561 -3.994 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.293 9.929 -3.104 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -12.087 9.774 -4.174 1.00 0.00 C ATOM 0 H ILE A 88 -9.612 7.340 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.998 10.193 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.141 7.963 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.472 7.810 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.391 8.124 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.534 9.582 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.220 10.106 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.828 10.857 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.132 9.480 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.843 10.518 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.926 10.199 -5.165 1.00 0.00 H new ATOM 1381 N LEU A 89 -7.024 8.749 -5.738 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.595 9.026 -5.808 1.00 0.00 C ATOM 1383 C LEU A 89 -4.825 7.877 -6.456 1.00 0.00 C ATOM 1384 O LEU A 89 -5.206 6.713 -6.347 1.00 0.00 O ATOM 1385 CB LEU A 89 -5.044 9.297 -4.402 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.516 9.285 -4.280 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.055 10.302 -3.248 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -3.022 7.891 -3.917 1.00 0.00 C ATOM 0 H LEU A 89 -7.269 7.760 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.460 9.910 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.410 10.268 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.452 8.550 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.091 9.560 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.968 10.279 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.378 11.298 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.489 10.058 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.935 7.900 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.456 7.588 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.321 7.186 -4.692 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.727 8.230 -7.113 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.862 7.262 -7.773 1.00 0.00 C ATOM 1402 C ASN A 90 -1.411 7.687 -7.589 1.00 0.00 C ATOM 1403 O ASN A 90 -0.983 8.701 -8.142 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.203 7.159 -9.262 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.374 5.724 -9.719 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.503 4.843 -9.241 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -4.279 5.410 -10.493 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.412 9.196 -7.203 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.014 6.280 -7.326 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.121 7.712 -9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.413 7.632 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.926 6.120 -10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.381 4.440 -10.791 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.663 6.939 -6.785 1.00 0.00 N ATOM 1415 CA LYS A 91 0.729 7.293 -6.516 1.00 0.00 C ATOM 1416 C LYS A 91 1.705 6.188 -6.906 1.00 0.00 C ATOM 1417 O LYS A 91 1.329 5.028 -7.074 1.00 0.00 O ATOM 1418 CB LYS A 91 0.908 7.631 -5.035 1.00 0.00 C ATOM 1419 CG LYS A 91 0.134 8.862 -4.595 1.00 0.00 C ATOM 1420 CD LYS A 91 0.966 10.125 -4.740 1.00 0.00 C ATOM 1421 CE LYS A 91 0.131 11.373 -4.507 1.00 0.00 C ATOM 1422 NZ LYS A 91 -0.529 11.843 -5.756 1.00 0.00 N ATOM 0 H LYS A 91 -0.989 6.095 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 91 0.957 8.163 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.590 6.778 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.968 7.786 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.775 8.953 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.175 8.746 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.792 10.101 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.404 10.160 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.627 11.166 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.766 12.166 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.088 12.696 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.195 12.065 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.155 11.097 -6.120 1.00 0.00 H new ATOM 1436 N ALA A 92 2.971 6.578 -7.034 1.00 0.00 N ATOM 1437 CA ALA A 92 4.043 5.658 -7.388 1.00 0.00 C ATOM 1438 C ALA A 92 5.323 6.044 -6.652 1.00 0.00 C ATOM 1439 O ALA A 92 5.805 7.169 -6.782 1.00 0.00 O ATOM 1440 CB ALA A 92 4.271 5.667 -8.890 1.00 0.00 C ATOM 0 H ALA A 92 3.280 7.540 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 92 3.757 4.649 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.075 4.975 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.357 5.361 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.545 6.672 -9.210 1.00 0.00 H new ATOM 1446 N LEU A 93 5.864 5.116 -5.869 1.00 0.00 N ATOM 1447 CA LEU A 93 7.080 5.386 -5.105 1.00 0.00 C ATOM 1448 C LEU A 93 8.208 4.432 -5.485 1.00 0.00 C ATOM 1449 O LEU A 93 7.974 3.385 -6.088 1.00 0.00 O ATOM 1450 CB LEU A 93 6.797 5.277 -3.605 1.00 0.00 C ATOM 1451 CG LEU A 93 5.441 5.826 -3.157 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.330 4.845 -3.497 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.454 6.123 -1.666 1.00 0.00 C ATOM 0 H LEU A 93 5.484 4.177 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 93 7.399 6.400 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.860 4.228 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.582 5.806 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 93 5.252 6.757 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.373 5.252 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.307 4.681 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.513 3.898 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.482 6.513 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.665 5.207 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.225 6.863 -1.449 1.00 0.00 H new ATOM 1465 N ASP A 94 9.431 4.803 -5.116 1.00 0.00 N ATOM 1466 CA ASP A 94 10.605 3.987 -5.403 1.00 0.00 C ATOM 1467 C ASP A 94 11.175 3.403 -4.112 1.00 0.00 C ATOM 1468 O ASP A 94 11.653 4.137 -3.247 1.00 0.00 O ATOM 1469 CB ASP A 94 11.672 4.820 -6.115 1.00 0.00 C ATOM 1470 CG ASP A 94 11.220 5.289 -7.484 1.00 0.00 C ATOM 1471 OD1 ASP A 94 11.212 4.465 -8.422 1.00 0.00 O ATOM 1472 OD2 ASP A 94 10.872 6.482 -7.618 1.00 0.00 O ATOM 0 H ASP A 94 9.634 5.668 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 94 10.304 3.169 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.923 5.686 -5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.582 4.229 -6.218 1.00 0.00 H new ATOM 1477 N LEU A 95 11.115 2.083 -3.980 1.00 0.00 N ATOM 1478 CA LEU A 95 11.617 1.417 -2.785 1.00 0.00 C ATOM 1479 C LEU A 95 12.996 0.807 -3.025 1.00 0.00 C ATOM 1480 O LEU A 95 13.116 -0.246 -3.659 1.00 0.00 O ATOM 1481 CB LEU A 95 10.647 0.319 -2.345 1.00 0.00 C ATOM 1482 CG LEU A 95 10.490 0.136 -0.832 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.757 -1.159 -0.531 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.842 0.156 -0.132 1.00 0.00 C ATOM 0 H LEU A 95 10.725 1.455 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 95 11.703 2.168 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.667 0.535 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.979 -0.626 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 95 9.902 0.971 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.653 -1.276 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.769 -1.133 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.322 -1.999 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.698 0.024 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.463 -0.653 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.334 1.111 -0.317 1.00 0.00 H new ATOM 1496 N ARG A 96 14.032 1.467 -2.508 1.00 0.00 N ATOM 1497 CA ARG A 96 15.400 0.983 -2.653 1.00 0.00 C ATOM 1498 C ARG A 96 15.858 0.280 -1.377 1.00 0.00 C ATOM 1499 O ARG A 96 15.999 0.904 -0.321 1.00 0.00 O ATOM 1500 CB ARG A 96 16.353 2.132 -3.002 1.00 0.00 C ATOM 1501 CG ARG A 96 15.654 3.417 -3.422 1.00 0.00 C ATOM 1502 CD ARG A 96 14.857 3.222 -4.706 1.00 0.00 C ATOM 1503 NE ARG A 96 15.557 2.371 -5.665 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.604 2.771 -6.384 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.076 4.004 -6.253 1.00 0.00 N ATOM 1506 NH2 ARG A 96 17.183 1.934 -7.235 1.00 0.00 N ATOM 0 H ARG A 96 13.947 2.339 -1.985 1.00 0.00 H new ATOM 0 HA ARG A 96 15.419 0.264 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.984 2.341 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.012 1.810 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.988 3.748 -2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.393 4.205 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.890 2.779 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.660 4.193 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 96 15.225 1.415 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.637 4.651 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.878 4.304 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.826 0.984 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.985 2.240 -7.786 1.00 0.00 H new ATOM 1520 N ILE A 97 16.072 -1.028 -1.481 1.00 0.00 N ATOM 1521 CA ILE A 97 16.494 -1.828 -0.340 1.00 0.00 C ATOM 1522 C ILE A 97 17.942 -2.285 -0.482 1.00 0.00 C ATOM 1523 O ILE A 97 18.274 -3.059 -1.379 1.00 0.00 O ATOM 1524 CB ILE A 97 15.598 -3.072 -0.169 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.135 -2.729 -0.469 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.741 -3.634 1.238 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.303 -3.930 -0.859 1.00 0.00 C ATOM 0 H ILE A 97 15.959 -1.556 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 97 16.404 -1.189 0.539 1.00 0.00 H new ATOM 0 HB ILE A 97 15.920 -3.833 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.692 -2.260 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.100 -1.995 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.104 -4.512 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.779 -3.916 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.443 -2.878 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.279 -3.614 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.722 -4.387 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.308 -4.656 -0.046 1.00 0.00 H new ATOM 1539 N LEU A 98 18.798 -1.803 0.413 1.00 0.00 N ATOM 1540 CA LEU A 98 20.193 -2.151 0.407 1.00 0.00 C ATOM 1541 C LEU A 98 20.409 -3.524 1.026 1.00 0.00 C ATOM 1542 O LEU A 98 19.499 -4.109 1.618 1.00 0.00 O ATOM 1543 CB LEU A 98 20.960 -1.094 1.187 1.00 0.00 C ATOM 1544 CG LEU A 98 21.481 0.074 0.353 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.109 1.132 1.247 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.482 -0.413 -0.684 1.00 0.00 C ATOM 0 H LEU A 98 18.532 -1.160 1.159 1.00 0.00 H new ATOM 0 HA LEU A 98 20.554 -2.189 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.312 -0.701 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.805 -1.572 1.683 1.00 0.00 H new ATOM 0 HG LEU A 98 20.637 0.524 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.474 1.956 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.363 1.505 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.940 0.695 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.842 0.434 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.323 -0.891 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.999 -1.132 -1.346 1.00 0.00 H new