USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 161:sc= 0.916 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -0.943 USER MOD Set 2.1: A 56 THR OG1 : rot 110:sc= -1.27 USER MOD Set 2.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 GLN :FLIP amide:sc=-0.00138 F(o=-1.7,f=-0.37) USER MOD Set 3.2: A 51 CYS SG : rot 180:sc= -0.367 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.52! C(o=-2.5!,f=-3.9!) USER MOD Single : A 4 ASN : amide:sc= -4.22! C(o=-4.2!,f=-6.3!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 10 GLN : amide:sc= -0.235 K(o=-0.23,f=-0.97!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -23:sc= 0.471 USER MOD Single : A 24 THR OG1 : rot -67:sc= 1.06 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -120:sc= 1.1 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.0772 F(o=-1.3,f=-0.077) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0276 (180deg=-0.266) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00528 USER MOD Single : A 58 THR OG1 : rot 19:sc= -6.29! USER MOD Single : A 59 SER OG : rot 180:sc=-0.00616 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0658 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00825 USER MOD Single : A 65 THR OG1 : rot 50:sc= -5.49! USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0.0125 (180deg=0.0044) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.04 F(o=-2.8!,f=-1) USER MOD Single : A 73 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.9!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.135 F(o=-1.2,f=-0.13) USER MOD Single : A 76 MET CE :methyl 174:sc= 0 (180deg=-0.041) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= -0.284 (180deg=-0.296) USER MOD Single : A 92 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.96) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.628 X(o=-0.63,f=-1) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.690 12.320 11.641 1.00 0.00 N ATOM 2 CA MET A 1 -16.254 13.022 10.500 1.00 0.00 C ATOM 3 C MET A 1 -15.974 12.268 9.199 1.00 0.00 C ATOM 4 O MET A 1 -16.891 11.991 8.427 1.00 0.00 O ATOM 5 CB MET A 1 -15.653 14.426 10.417 1.00 0.00 C ATOM 6 CG MET A 1 -16.429 15.408 11.297 1.00 0.00 C ATOM 7 SD MET A 1 -15.700 17.034 11.188 1.00 0.00 S ATOM 8 CE MET A 1 -16.688 17.898 12.397 1.00 0.00 C ATOM 0 H1 MET A 1 -15.894 12.852 12.511 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.112 11.372 11.708 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.661 12.233 11.521 1.00 0.00 H new ATOM 0 HA MET A 1 -17.334 13.087 10.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.609 14.398 10.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.666 14.770 9.383 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.472 15.446 10.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.422 15.066 12.332 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.363 18.937 12.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.737 17.862 12.102 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.568 17.423 13.371 1.00 0.00 H new ATOM 18 N GLN A 2 -14.702 11.958 8.995 1.00 0.00 N ATOM 19 CA GLN A 2 -14.289 11.241 7.800 1.00 0.00 C ATOM 20 C GLN A 2 -12.822 10.820 7.914 1.00 0.00 C ATOM 21 O GLN A 2 -11.936 11.496 7.395 1.00 0.00 O ATOM 22 CB GLN A 2 -14.520 12.087 6.546 1.00 0.00 C ATOM 23 CG GLN A 2 -15.616 11.479 5.669 1.00 0.00 C ATOM 24 CD GLN A 2 -16.922 12.264 5.799 1.00 0.00 C ATOM 25 OE1 GLN A 2 -16.936 13.460 6.043 1.00 0.00 O ATOM 26 NE2 GLN A 2 -18.016 11.528 5.625 1.00 0.00 N ATOM 0 H GLN A 2 -13.944 12.190 9.637 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.899 10.342 7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.800 13.101 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.593 12.161 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.293 11.474 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.782 10.441 5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.934 10.532 5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.937 11.960 5.693 1.00 0.00 H new ATOM 35 N PRO A 3 -12.607 9.674 8.614 1.00 0.00 N ATOM 36 CA PRO A 3 -11.263 9.154 8.803 1.00 0.00 C ATOM 37 C PRO A 3 -10.739 8.508 7.519 1.00 0.00 C ATOM 38 O PRO A 3 -11.476 8.373 6.543 1.00 0.00 O ATOM 39 CB PRO A 3 -11.380 8.171 9.957 1.00 0.00 C ATOM 40 CG PRO A 3 -12.857 7.830 10.066 1.00 0.00 C ATOM 41 CD PRO A 3 -13.632 8.846 9.243 1.00 0.00 C ATOM 0 HA PRO A 3 -10.539 9.935 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.786 7.277 9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.011 8.611 10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.044 6.820 9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.179 7.857 11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.258 8.356 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.293 9.443 9.871 1.00 0.00 H new ATOM 49 N ASN A 4 -9.471 8.127 7.561 1.00 0.00 N ATOM 50 CA ASN A 4 -8.840 7.499 6.412 1.00 0.00 C ATOM 51 C ASN A 4 -8.993 5.980 6.519 1.00 0.00 C ATOM 52 O ASN A 4 -9.234 5.452 7.604 1.00 0.00 O ATOM 53 CB ASN A 4 -7.346 7.821 6.360 1.00 0.00 C ATOM 54 CG ASN A 4 -6.593 6.794 5.512 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.787 6.678 4.313 1.00 0.00 O ATOM 56 ND2 ASN A 4 -5.724 6.058 6.199 1.00 0.00 N ATOM 0 H ASN A 4 -8.863 8.241 8.372 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.322 7.880 5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.200 8.818 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.938 7.833 7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.171 5.345 5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.610 6.207 7.202 1.00 0.00 H new ATOM 63 N ASP A 5 -8.847 5.321 5.379 1.00 0.00 N ATOM 64 CA ASP A 5 -8.966 3.874 5.331 1.00 0.00 C ATOM 65 C ASP A 5 -7.578 3.247 5.475 1.00 0.00 C ATOM 66 O ASP A 5 -7.369 2.380 6.322 1.00 0.00 O ATOM 67 CB ASP A 5 -9.556 3.414 3.996 1.00 0.00 C ATOM 68 CG ASP A 5 -10.921 4.012 3.652 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.203 5.180 3.961 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.725 3.216 3.032 1.00 0.00 O ATOM 0 H ASP A 5 -8.647 5.763 4.481 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.624 3.563 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.855 3.666 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.645 2.328 4.010 1.00 0.00 H new ATOM 76 N ILE A 6 -6.664 3.711 4.635 1.00 0.00 N ATOM 77 CA ILE A 6 -5.302 3.207 4.658 1.00 0.00 C ATOM 78 C ILE A 6 -4.395 4.164 3.882 1.00 0.00 C ATOM 79 O ILE A 6 -4.812 4.745 2.881 1.00 0.00 O ATOM 80 CB ILE A 6 -5.255 1.766 4.147 1.00 0.00 C ATOM 81 CG1 ILE A 6 -3.814 1.322 3.888 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.139 1.593 2.910 1.00 0.00 C ATOM 83 CD1 ILE A 6 -3.699 -0.203 3.899 1.00 0.00 C ATOM 0 H ILE A 6 -6.841 4.431 3.934 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.927 3.171 5.681 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.657 1.116 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.478 1.708 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.157 1.745 4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.087 0.560 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.170 1.840 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.790 2.256 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.664 -0.491 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.012 -0.585 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.338 -0.622 3.122 1.00 0.00 H new ATOM 95 N THR A 7 -3.172 4.300 4.374 1.00 0.00 N ATOM 96 CA THR A 7 -2.203 5.177 3.739 1.00 0.00 C ATOM 97 C THR A 7 -1.115 4.356 3.045 1.00 0.00 C ATOM 98 O THR A 7 -1.046 3.139 3.216 1.00 0.00 O ATOM 99 CB THR A 7 -1.659 6.130 4.805 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.587 5.330 5.982 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.653 7.235 5.166 1.00 0.00 C ATOM 0 H THR A 7 -2.830 3.817 5.205 1.00 0.00 H new ATOM 0 HA THR A 7 -2.665 5.775 2.953 1.00 0.00 H new ATOM 0 HB THR A 7 -0.731 6.579 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.242 5.870 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.217 7.883 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.883 7.823 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.569 6.788 5.552 1.00 0.00 H new ATOM 109 N PHE A 8 -0.292 5.053 2.276 1.00 0.00 N ATOM 110 CA PHE A 8 0.790 4.404 1.556 1.00 0.00 C ATOM 111 C PHE A 8 1.931 5.385 1.279 1.00 0.00 C ATOM 112 O PHE A 8 1.694 6.514 0.853 1.00 0.00 O ATOM 113 CB PHE A 8 0.214 3.921 0.223 1.00 0.00 C ATOM 114 CG PHE A 8 -1.003 3.005 0.367 1.00 0.00 C ATOM 115 CD1 PHE A 8 -0.893 1.828 1.040 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.196 3.367 -0.178 1.00 0.00 C ATOM 117 CE1 PHE A 8 -2.022 0.978 1.174 1.00 0.00 C ATOM 118 CE2 PHE A 8 -3.325 2.517 -0.044 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.214 1.340 0.629 1.00 0.00 C ATOM 0 H PHE A 8 -0.353 6.061 2.136 1.00 0.00 H new ATOM 0 HA PHE A 8 1.190 3.581 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.065 4.788 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.992 3.391 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.054 1.540 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.284 4.301 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.934 0.044 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.272 2.805 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.073 0.693 0.730 1.00 0.00 H new ATOM 129 N PHE A 9 3.145 4.918 1.531 1.00 0.00 N ATOM 130 CA PHE A 9 4.323 5.740 1.314 1.00 0.00 C ATOM 131 C PHE A 9 4.235 6.484 -0.020 1.00 0.00 C ATOM 132 O PHE A 9 3.420 6.139 -0.874 1.00 0.00 O ATOM 133 CB PHE A 9 5.527 4.796 1.280 1.00 0.00 C ATOM 134 CG PHE A 9 6.876 5.502 1.434 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.025 6.490 2.356 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.926 5.141 0.648 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.277 7.145 2.499 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.177 5.796 0.791 1.00 0.00 C ATOM 139 CZ PHE A 9 9.327 6.784 1.713 1.00 0.00 C ATOM 0 H PHE A 9 3.338 3.981 1.884 1.00 0.00 H new ATOM 0 HA PHE A 9 4.410 6.482 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.421 4.060 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.520 4.249 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.191 6.777 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.808 4.356 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.395 7.930 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.011 5.509 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.279 7.282 1.821 1.00 0.00 H new ATOM 149 N GLN A 10 5.085 7.490 -0.157 1.00 0.00 N ATOM 150 CA GLN A 10 5.114 8.286 -1.372 1.00 0.00 C ATOM 151 C GLN A 10 5.344 7.388 -2.589 1.00 0.00 C ATOM 152 O GLN A 10 4.681 7.541 -3.614 1.00 0.00 O ATOM 153 CB GLN A 10 6.181 9.379 -1.288 1.00 0.00 C ATOM 154 CG GLN A 10 6.080 10.337 -2.476 1.00 0.00 C ATOM 155 CD GLN A 10 7.414 10.431 -3.220 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.192 9.493 -3.272 1.00 0.00 O ATOM 157 NE2 GLN A 10 7.633 11.612 -3.791 1.00 0.00 N ATOM 0 H GLN A 10 5.760 7.773 0.554 1.00 0.00 H new ATOM 0 HA GLN A 10 4.147 8.777 -1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.065 9.935 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.171 8.924 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.302 9.995 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.784 11.326 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.939 12.355 -3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.495 11.775 -4.311 1.00 0.00 H new ATOM 166 N ARG A 11 6.287 6.469 -2.437 1.00 0.00 N ATOM 167 CA ARG A 11 6.613 5.546 -3.511 1.00 0.00 C ATOM 168 C ARG A 11 5.339 4.907 -4.067 1.00 0.00 C ATOM 169 O ARG A 11 5.141 4.864 -5.280 1.00 0.00 O ATOM 170 CB ARG A 11 7.557 4.445 -3.023 1.00 0.00 C ATOM 171 CG ARG A 11 8.882 5.035 -2.535 1.00 0.00 C ATOM 172 CD ARG A 11 9.995 3.986 -2.570 1.00 0.00 C ATOM 173 NE ARG A 11 10.382 3.705 -3.970 1.00 0.00 N ATOM 174 CZ ARG A 11 11.030 4.581 -4.767 1.00 0.00 C ATOM 175 NH1 ARG A 11 11.370 5.804 -4.306 1.00 0.00 N ATOM 176 NH2 ARG A 11 11.327 4.225 -6.003 1.00 0.00 N ATOM 0 H ARG A 11 6.836 6.344 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 11 7.111 6.114 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.084 3.887 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.745 3.738 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.158 5.884 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.764 5.412 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.859 4.342 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.657 3.069 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 11 10.144 2.792 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.137 6.071 -3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.860 6.460 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.067 3.299 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.816 4.876 -6.617 1.00 0.00 H new ATOM 189 N PHE A 12 4.509 4.427 -3.153 1.00 0.00 N ATOM 190 CA PHE A 12 3.260 3.792 -3.537 1.00 0.00 C ATOM 191 C PHE A 12 2.347 4.777 -4.270 1.00 0.00 C ATOM 192 O PHE A 12 1.578 4.382 -5.146 1.00 0.00 O ATOM 193 CB PHE A 12 2.572 3.341 -2.246 1.00 0.00 C ATOM 194 CG PHE A 12 2.665 1.837 -1.985 1.00 0.00 C ATOM 195 CD1 PHE A 12 2.491 0.956 -3.006 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.922 1.380 -0.730 1.00 0.00 C ATOM 197 CE1 PHE A 12 2.577 -0.440 -2.763 1.00 0.00 C ATOM 198 CE2 PHE A 12 3.009 -0.017 -0.487 1.00 0.00 C ATOM 199 CZ PHE A 12 2.834 -0.897 -1.508 1.00 0.00 C ATOM 0 H PHE A 12 4.677 4.465 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 12 3.458 2.955 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.016 3.874 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.521 3.628 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.287 1.319 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.060 2.079 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.438 -1.139 -3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.214 -0.380 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.899 -1.959 -1.323 1.00 0.00 H new ATOM 209 N GLN A 13 2.462 6.039 -3.886 1.00 0.00 N ATOM 210 CA GLN A 13 1.657 7.084 -4.496 1.00 0.00 C ATOM 211 C GLN A 13 2.056 7.274 -5.960 1.00 0.00 C ATOM 212 O GLN A 13 1.195 7.365 -6.835 1.00 0.00 O ATOM 213 CB GLN A 13 1.780 8.396 -3.719 1.00 0.00 C ATOM 214 CG GLN A 13 0.492 8.703 -2.953 1.00 0.00 C ATOM 215 CD GLN A 13 -0.203 9.941 -3.523 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.109 11.073 -2.898 1.00 0.00 O flip ATOM 217 NE2 GLN A 13 -0.972 9.873 -4.468 1.00 0.00 N flip ATOM 0 H GLN A 13 3.101 6.362 -3.160 1.00 0.00 H new ATOM 0 HA GLN A 13 0.612 6.777 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.616 8.333 -3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.001 9.211 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.180 7.847 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.721 8.863 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.168 8.971 -4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.419 10.718 -4.824 1.00 0.00 H new ATOM 226 N ASP A 14 3.361 7.329 -6.183 1.00 0.00 N ATOM 227 CA ASP A 14 3.884 7.507 -7.526 1.00 0.00 C ATOM 228 C ASP A 14 3.526 6.285 -8.375 1.00 0.00 C ATOM 229 O ASP A 14 2.880 6.413 -9.413 1.00 0.00 O ATOM 230 CB ASP A 14 5.408 7.642 -7.511 1.00 0.00 C ATOM 231 CG ASP A 14 6.081 7.533 -8.880 1.00 0.00 C ATOM 232 OD1 ASP A 14 6.149 8.511 -9.638 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.555 6.367 -9.163 1.00 0.00 O ATOM 0 H ASP A 14 4.072 7.253 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 14 3.446 8.415 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.668 8.605 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.819 6.872 -6.859 1.00 0.00 H new ATOM 239 N ASP A 15 3.963 5.127 -7.900 1.00 0.00 N ATOM 240 CA ASP A 15 3.697 3.883 -8.602 1.00 0.00 C ATOM 241 C ASP A 15 2.202 3.787 -8.912 1.00 0.00 C ATOM 242 O ASP A 15 1.816 3.394 -10.012 1.00 0.00 O ATOM 243 CB ASP A 15 4.081 2.675 -7.746 1.00 0.00 C ATOM 244 CG ASP A 15 4.932 1.622 -8.458 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.406 0.660 -9.037 1.00 0.00 O ATOM 246 OD2 ASP A 15 6.205 1.821 -8.401 1.00 0.00 O ATOM 0 H ASP A 15 4.499 5.025 -7.038 1.00 0.00 H new ATOM 0 HA ASP A 15 4.289 3.879 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.625 3.028 -6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.169 2.200 -7.385 1.00 0.00 H new ATOM 252 N ILE A 16 1.400 4.152 -7.923 1.00 0.00 N ATOM 253 CA ILE A 16 -0.044 4.112 -8.076 1.00 0.00 C ATOM 254 C ILE A 16 -0.463 5.088 -9.178 1.00 0.00 C ATOM 255 O ILE A 16 -1.255 4.739 -10.052 1.00 0.00 O ATOM 256 CB ILE A 16 -0.733 4.368 -6.734 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.613 3.150 -5.815 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.189 4.791 -6.936 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.854 3.538 -4.355 1.00 0.00 C ATOM 0 H ILE A 16 1.723 4.477 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.366 3.119 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.223 5.196 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.334 2.390 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.378 2.708 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.655 4.966 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.223 5.707 -7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.728 4.002 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.763 2.654 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.116 4.280 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.855 3.957 -4.250 1.00 0.00 H new ATOM 271 N LEU A 17 0.087 6.291 -9.099 1.00 0.00 N ATOM 272 CA LEU A 17 -0.220 7.319 -10.079 1.00 0.00 C ATOM 273 C LEU A 17 0.165 6.821 -11.473 1.00 0.00 C ATOM 274 O LEU A 17 -0.432 7.227 -12.468 1.00 0.00 O ATOM 275 CB LEU A 17 0.445 8.642 -9.693 1.00 0.00 C ATOM 276 CG LEU A 17 1.514 9.161 -10.657 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.882 9.958 -11.799 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.577 9.972 -9.912 1.00 0.00 C ATOM 0 H LEU A 17 0.743 6.577 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.291 7.520 -10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.331 9.402 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.898 8.525 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 17 2.017 8.303 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.664 10.315 -12.469 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.194 9.318 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.337 10.809 -11.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.325 10.329 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.107 10.824 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.058 9.342 -9.164 1.00 0.00 H new ATOM 290 N ALA A 18 1.161 5.947 -11.500 1.00 0.00 N ATOM 291 CA ALA A 18 1.633 5.389 -12.755 1.00 0.00 C ATOM 292 C ALA A 18 0.877 4.091 -13.048 1.00 0.00 C ATOM 293 O ALA A 18 1.324 3.276 -13.853 1.00 0.00 O ATOM 294 CB ALA A 18 3.147 5.178 -12.684 1.00 0.00 C ATOM 0 H ALA A 18 1.654 5.612 -10.672 1.00 0.00 H new ATOM 0 HA ALA A 18 1.438 6.077 -13.577 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.501 4.759 -13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.640 6.134 -12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.381 4.491 -11.871 1.00 0.00 H new ATOM 300 N GLY A 19 -0.255 3.939 -12.377 1.00 0.00 N ATOM 301 CA GLY A 19 -1.078 2.754 -12.554 1.00 0.00 C ATOM 302 C GLY A 19 -0.425 1.532 -11.906 1.00 0.00 C ATOM 303 O GLY A 19 -0.251 1.489 -10.689 1.00 0.00 O ATOM 0 H GLY A 19 -0.622 4.617 -11.709 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.062 2.921 -12.115 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.231 2.568 -13.617 1.00 0.00 H new ATOM 307 N ARG A 20 -0.081 0.568 -12.748 1.00 0.00 N ATOM 308 CA ARG A 20 0.549 -0.652 -12.272 1.00 0.00 C ATOM 309 C ARG A 20 -0.181 -1.178 -11.034 1.00 0.00 C ATOM 310 O ARG A 20 0.070 -0.720 -9.920 1.00 0.00 O ATOM 311 CB ARG A 20 2.020 -0.413 -11.926 1.00 0.00 C ATOM 312 CG ARG A 20 2.917 -1.455 -12.597 1.00 0.00 C ATOM 313 CD ARG A 20 4.150 -0.798 -13.220 1.00 0.00 C ATOM 314 NE ARG A 20 3.814 -0.255 -14.555 1.00 0.00 N ATOM 315 CZ ARG A 20 4.715 0.298 -15.395 1.00 0.00 C ATOM 316 NH1 ARG A 20 6.015 0.386 -15.045 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.304 0.751 -16.565 1.00 0.00 N ATOM 0 H ARG A 20 -0.227 0.607 -13.757 1.00 0.00 H new ATOM 0 HA ARG A 20 0.491 -1.390 -13.072 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.315 0.586 -12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.154 -0.454 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.228 -2.198 -11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.354 -1.983 -13.367 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.512 0.002 -12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.956 -1.527 -13.307 1.00 0.00 H new ATOM 0 HE ARG A 20 2.842 -0.301 -14.859 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.324 0.033 -14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.688 0.805 -15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.319 0.680 -16.822 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.971 1.172 -17.212 1.00 0.00 H new ATOM 330 N LYS A 21 -1.069 -2.132 -11.271 1.00 0.00 N ATOM 331 CA LYS A 21 -1.836 -2.725 -10.189 1.00 0.00 C ATOM 332 C LYS A 21 -0.973 -2.779 -8.927 1.00 0.00 C ATOM 333 O LYS A 21 -0.059 -3.598 -8.830 1.00 0.00 O ATOM 334 CB LYS A 21 -2.395 -4.085 -10.611 1.00 0.00 C ATOM 335 CG LYS A 21 -3.378 -3.938 -11.773 1.00 0.00 C ATOM 336 CD LYS A 21 -2.671 -4.121 -13.117 1.00 0.00 C ATOM 337 CE LYS A 21 -3.457 -5.068 -14.026 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.849 -6.417 -14.020 1.00 0.00 N ATOM 0 H LYS A 21 -1.274 -2.509 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.704 -2.108 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.577 -4.743 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.895 -4.555 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.175 -4.675 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.846 -2.954 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.556 -3.154 -13.606 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.669 -4.517 -12.954 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.492 -5.128 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.474 -4.675 -15.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.395 -7.047 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.869 -6.357 -14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.855 -6.796 -13.052 1.00 0.00 H new ATOM 351 N THR A 22 -1.292 -1.897 -7.991 1.00 0.00 N ATOM 352 CA THR A 22 -0.557 -1.835 -6.740 1.00 0.00 C ATOM 353 C THR A 22 -1.336 -2.539 -5.627 1.00 0.00 C ATOM 354 O THR A 22 -2.461 -2.153 -5.313 1.00 0.00 O ATOM 355 CB THR A 22 -0.261 -0.364 -6.438 1.00 0.00 C ATOM 356 OG1 THR A 22 0.208 0.157 -7.678 1.00 0.00 O ATOM 357 CG2 THR A 22 0.924 -0.188 -5.487 1.00 0.00 C ATOM 0 H THR A 22 -2.050 -1.219 -8.074 1.00 0.00 H new ATOM 0 HA THR A 22 0.393 -2.365 -6.813 1.00 0.00 H new ATOM 0 HB THR A 22 -1.146 0.103 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.563 -0.574 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.091 0.874 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.710 -0.688 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.817 -0.625 -5.934 1.00 0.00 H new ATOM 365 N ILE A 23 -0.708 -3.558 -5.062 1.00 0.00 N ATOM 366 CA ILE A 23 -1.328 -4.320 -3.991 1.00 0.00 C ATOM 367 C ILE A 23 -0.843 -3.784 -2.642 1.00 0.00 C ATOM 368 O ILE A 23 0.203 -3.142 -2.566 1.00 0.00 O ATOM 369 CB ILE A 23 -1.079 -5.817 -4.183 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.425 -6.094 -5.539 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.369 -6.617 -3.995 1.00 0.00 C ATOM 372 CD1 ILE A 23 1.098 -5.985 -5.446 1.00 0.00 C ATOM 0 H ILE A 23 0.225 -3.875 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.411 -4.196 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.381 -6.148 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.701 -7.091 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.799 -5.386 -6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.163 -7.678 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.755 -6.454 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.109 -6.290 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.538 -6.186 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.372 -4.980 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.471 -6.711 -4.724 1.00 0.00 H new ATOM 384 N THR A 24 -1.627 -4.067 -1.613 1.00 0.00 N ATOM 385 CA THR A 24 -1.291 -3.621 -0.271 1.00 0.00 C ATOM 386 C THR A 24 -1.584 -4.725 0.747 1.00 0.00 C ATOM 387 O THR A 24 -2.253 -5.707 0.428 1.00 0.00 O ATOM 388 CB THR A 24 -2.056 -2.325 0.002 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.425 -2.692 -0.143 1.00 0.00 O ATOM 390 CG2 THR A 24 -1.835 -1.273 -1.087 1.00 0.00 C ATOM 0 H THR A 24 -2.494 -4.600 -1.681 1.00 0.00 H new ATOM 0 HA THR A 24 -0.225 -3.412 -0.179 1.00 0.00 H new ATOM 0 HB THR A 24 -1.749 -1.919 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.607 -2.912 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.400 -0.373 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.774 -1.030 -1.148 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.173 -1.666 -2.046 1.00 0.00 H new ATOM 398 N ILE A 25 -1.067 -4.528 1.951 1.00 0.00 N ATOM 399 CA ILE A 25 -1.265 -5.495 3.017 1.00 0.00 C ATOM 400 C ILE A 25 -1.937 -4.806 4.206 1.00 0.00 C ATOM 401 O ILE A 25 -1.607 -3.668 4.537 1.00 0.00 O ATOM 402 CB ILE A 25 0.057 -6.180 3.371 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.755 -6.705 2.114 1.00 0.00 C ATOM 404 CG2 ILE A 25 -0.158 -7.282 4.410 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.653 -5.631 1.497 1.00 0.00 C ATOM 0 H ILE A 25 -0.511 -3.713 2.212 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.933 -6.291 2.690 1.00 0.00 H new ATOM 0 HB ILE A 25 0.717 -5.438 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.351 -7.583 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.009 -7.023 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.797 -7.753 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.581 -6.850 5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.843 -8.030 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.137 -6.030 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.050 -4.764 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.413 -5.333 2.220 1.00 0.00 H new ATOM 417 N ARG A 26 -2.868 -5.525 4.817 1.00 0.00 N ATOM 418 CA ARG A 26 -3.589 -4.996 5.962 1.00 0.00 C ATOM 419 C ARG A 26 -3.763 -6.082 7.027 1.00 0.00 C ATOM 420 O ARG A 26 -3.594 -7.267 6.744 1.00 0.00 O ATOM 421 CB ARG A 26 -4.966 -4.471 5.551 1.00 0.00 C ATOM 422 CG ARG A 26 -5.230 -4.726 4.066 1.00 0.00 C ATOM 423 CD ARG A 26 -4.461 -3.732 3.193 1.00 0.00 C ATOM 424 NE ARG A 26 -5.367 -3.138 2.185 1.00 0.00 N ATOM 425 CZ ARG A 26 -6.517 -2.498 2.484 1.00 0.00 C ATOM 426 NH1 ARG A 26 -6.912 -2.364 3.767 1.00 0.00 N ATOM 427 NH2 ARG A 26 -7.250 -2.006 1.502 1.00 0.00 N ATOM 0 H ARG A 26 -3.139 -6.469 4.541 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.005 -4.171 6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.737 -4.956 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.028 -3.402 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.935 -5.744 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.298 -4.643 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.030 -2.947 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.632 -4.237 2.697 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.106 -3.217 1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.340 -2.748 4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.782 -1.879 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.944 -2.112 0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.122 -1.520 1.711 1.00 0.00 H new ATOM 440 N ASP A 27 -4.097 -5.638 8.230 1.00 0.00 N ATOM 441 CA ASP A 27 -4.295 -6.557 9.338 1.00 0.00 C ATOM 442 C ASP A 27 -5.769 -6.964 9.399 1.00 0.00 C ATOM 443 O ASP A 27 -6.655 -6.112 9.366 1.00 0.00 O ATOM 444 CB ASP A 27 -3.931 -5.899 10.670 1.00 0.00 C ATOM 445 CG ASP A 27 -4.397 -6.657 11.915 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.975 -7.750 11.817 1.00 0.00 O ATOM 447 OD2 ASP A 27 -4.142 -6.073 13.036 1.00 0.00 O ATOM 0 H ASP A 27 -4.235 -4.654 8.462 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.654 -7.424 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.848 -5.784 10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.359 -4.897 10.692 1.00 0.00 H new ATOM 453 N GLU A 28 -5.985 -8.269 9.489 1.00 0.00 N ATOM 454 CA GLU A 28 -7.336 -8.800 9.555 1.00 0.00 C ATOM 455 C GLU A 28 -8.142 -8.068 10.630 1.00 0.00 C ATOM 456 O GLU A 28 -9.302 -7.721 10.413 1.00 0.00 O ATOM 457 CB GLU A 28 -7.320 -10.308 9.814 1.00 0.00 C ATOM 458 CG GLU A 28 -8.703 -10.806 10.239 1.00 0.00 C ATOM 459 CD GLU A 28 -9.744 -10.525 9.154 1.00 0.00 C ATOM 460 OE1 GLU A 28 -10.508 -9.554 9.265 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.743 -11.357 8.169 1.00 0.00 O ATOM 0 H GLU A 28 -5.248 -8.973 9.518 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.818 -8.635 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.002 -10.832 8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.592 -10.539 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.662 -11.876 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.000 -10.318 11.168 1.00 0.00 H new ATOM 469 N SER A 29 -7.495 -7.855 11.767 1.00 0.00 N ATOM 470 CA SER A 29 -8.137 -7.171 12.876 1.00 0.00 C ATOM 471 C SER A 29 -8.642 -5.799 12.424 1.00 0.00 C ATOM 472 O SER A 29 -9.583 -5.258 13.003 1.00 0.00 O ATOM 473 CB SER A 29 -7.179 -7.020 14.059 1.00 0.00 C ATOM 474 OG SER A 29 -7.328 -5.761 14.710 1.00 0.00 O ATOM 0 H SER A 29 -6.533 -8.144 11.944 1.00 0.00 H new ATOM 0 HA SER A 29 -8.984 -7.773 13.204 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.358 -7.822 14.775 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.152 -7.128 13.710 1.00 0.00 H new ATOM 0 HG SER A 29 -6.700 -5.704 15.460 1.00 0.00 H new ATOM 480 N GLU A 30 -7.995 -5.277 11.393 1.00 0.00 N ATOM 481 CA GLU A 30 -8.366 -3.979 10.856 1.00 0.00 C ATOM 482 C GLU A 30 -8.740 -4.103 9.377 1.00 0.00 C ATOM 483 O GLU A 30 -8.798 -3.105 8.661 1.00 0.00 O ATOM 484 CB GLU A 30 -7.241 -2.961 11.053 1.00 0.00 C ATOM 485 CG GLU A 30 -7.169 -2.498 12.509 1.00 0.00 C ATOM 486 CD GLU A 30 -7.272 -0.975 12.606 1.00 0.00 C ATOM 487 OE1 GLU A 30 -7.750 -0.325 11.665 1.00 0.00 O ATOM 488 OE2 GLU A 30 -6.834 -0.468 13.709 1.00 0.00 O ATOM 0 H GLU A 30 -7.216 -5.729 10.915 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.237 -3.618 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.289 -3.405 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.405 -2.102 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.975 -2.958 13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.232 -2.832 12.954 1.00 0.00 H new ATOM 496 N SER A 31 -8.985 -5.338 8.964 1.00 0.00 N ATOM 497 CA SER A 31 -9.352 -5.606 7.583 1.00 0.00 C ATOM 498 C SER A 31 -10.847 -5.917 7.491 1.00 0.00 C ATOM 499 O SER A 31 -11.284 -7.003 7.871 1.00 0.00 O ATOM 500 CB SER A 31 -8.532 -6.764 7.011 1.00 0.00 C ATOM 501 OG SER A 31 -8.402 -6.676 5.594 1.00 0.00 O ATOM 0 H SER A 31 -8.937 -6.164 9.561 1.00 0.00 H new ATOM 0 HA SER A 31 -9.135 -4.716 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.542 -6.767 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.007 -7.709 7.274 1.00 0.00 H new ATOM 0 HG SER A 31 -8.793 -7.473 5.179 1.00 0.00 H new ATOM 507 N HIS A 32 -11.591 -4.946 6.983 1.00 0.00 N ATOM 508 CA HIS A 32 -13.028 -5.102 6.835 1.00 0.00 C ATOM 509 C HIS A 32 -13.545 -4.125 5.777 1.00 0.00 C ATOM 510 O HIS A 32 -13.486 -2.911 5.966 1.00 0.00 O ATOM 511 CB HIS A 32 -13.733 -4.944 8.183 1.00 0.00 C ATOM 512 CG HIS A 32 -13.284 -3.737 8.973 1.00 0.00 C ATOM 513 ND1 HIS A 32 -12.065 -3.418 9.495 1.00 0.00 N flip ATOM 514 CD2 HIS A 32 -14.136 -2.698 9.303 1.00 0.00 C flip ATOM 515 CE1 HIS A 32 -12.166 -2.245 10.110 1.00 0.00 C flip ATOM 516 NE2 HIS A 32 -13.449 -1.798 9.992 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.225 -4.047 6.668 1.00 0.00 H new ATOM 0 HA HIS A 32 -13.254 -6.110 6.488 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.808 -4.876 8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -13.561 -5.840 8.779 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -15.182 -2.632 9.043 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.365 -1.730 10.619 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.816 -0.924 10.368 1.00 0.00 H new ATOM 524 N PHE A 33 -14.040 -4.692 4.686 1.00 0.00 N ATOM 525 CA PHE A 33 -14.566 -3.886 3.598 1.00 0.00 C ATOM 526 C PHE A 33 -15.086 -4.770 2.462 1.00 0.00 C ATOM 527 O PHE A 33 -15.463 -5.919 2.689 1.00 0.00 O ATOM 528 CB PHE A 33 -13.410 -3.031 3.074 1.00 0.00 C ATOM 529 CG PHE A 33 -13.843 -1.672 2.519 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.775 -0.934 3.179 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.295 -1.203 1.366 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.177 0.327 2.664 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.697 0.058 0.852 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.629 0.796 1.511 1.00 0.00 C ATOM 0 H PHE A 33 -14.088 -5.699 4.533 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.395 -3.275 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.695 -2.871 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.889 -3.583 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.210 -1.307 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.555 -1.789 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.918 0.913 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.262 0.431 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.934 1.755 1.119 1.00 0.00 H new ATOM 544 N LYS A 34 -15.089 -4.201 1.266 1.00 0.00 N ATOM 545 CA LYS A 34 -15.556 -4.924 0.095 1.00 0.00 C ATOM 546 C LYS A 34 -14.772 -4.457 -1.133 1.00 0.00 C ATOM 547 O LYS A 34 -14.219 -3.358 -1.140 1.00 0.00 O ATOM 548 CB LYS A 34 -17.072 -4.782 -0.053 1.00 0.00 C ATOM 549 CG LYS A 34 -17.802 -5.468 1.104 1.00 0.00 C ATOM 550 CD LYS A 34 -17.646 -6.988 1.026 1.00 0.00 C ATOM 551 CE LYS A 34 -18.824 -7.695 1.700 1.00 0.00 C ATOM 552 NZ LYS A 34 -20.047 -7.563 0.878 1.00 0.00 N ATOM 0 H LYS A 34 -14.776 -3.248 1.082 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.369 -5.992 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.341 -3.726 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.391 -5.219 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.407 -5.106 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.860 -5.206 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.580 -7.297 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.714 -7.287 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.588 -8.749 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.995 -7.268 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.715 -8.321 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.489 -6.639 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.798 -7.635 -0.129 1.00 0.00 H new ATOM 565 N THR A 35 -14.751 -5.314 -2.143 1.00 0.00 N ATOM 566 CA THR A 35 -14.044 -5.003 -3.374 1.00 0.00 C ATOM 567 C THR A 35 -14.894 -4.091 -4.261 1.00 0.00 C ATOM 568 O THR A 35 -16.090 -3.927 -4.024 1.00 0.00 O ATOM 569 CB THR A 35 -13.664 -6.323 -4.048 1.00 0.00 C ATOM 570 OG1 THR A 35 -13.064 -7.085 -3.004 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.545 -6.154 -5.077 1.00 0.00 C ATOM 0 H THR A 35 -15.212 -6.224 -2.134 1.00 0.00 H new ATOM 0 HA THR A 35 -13.127 -4.448 -3.174 1.00 0.00 H new ATOM 0 HB THR A 35 -14.542 -6.749 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.789 -7.958 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.314 -7.120 -5.525 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.867 -5.461 -5.854 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.655 -5.760 -4.586 1.00 0.00 H new ATOM 579 N GLY A 36 -14.244 -3.520 -5.264 1.00 0.00 N ATOM 580 CA GLY A 36 -14.925 -2.629 -6.188 1.00 0.00 C ATOM 581 C GLY A 36 -15.369 -1.345 -5.484 1.00 0.00 C ATOM 582 O GLY A 36 -16.183 -0.591 -6.015 1.00 0.00 O ATOM 0 H GLY A 36 -13.252 -3.657 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.262 -2.383 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.793 -3.134 -6.613 1.00 0.00 H new ATOM 586 N ASP A 37 -14.815 -1.136 -4.298 1.00 0.00 N ATOM 587 CA ASP A 37 -15.144 0.043 -3.516 1.00 0.00 C ATOM 588 C ASP A 37 -14.008 1.061 -3.633 1.00 0.00 C ATOM 589 O ASP A 37 -13.078 0.871 -4.415 1.00 0.00 O ATOM 590 CB ASP A 37 -15.315 -0.308 -2.037 1.00 0.00 C ATOM 591 CG ASP A 37 -16.765 -0.414 -1.560 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.272 -1.515 -1.300 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.390 0.710 -1.459 1.00 0.00 O ATOM 0 H ASP A 37 -14.141 -1.764 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.078 0.453 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.815 -1.257 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.806 0.448 -1.439 1.00 0.00 H new ATOM 599 N VAL A 38 -14.121 2.119 -2.843 1.00 0.00 N ATOM 600 CA VAL A 38 -13.114 3.167 -2.848 1.00 0.00 C ATOM 601 C VAL A 38 -12.219 3.014 -1.617 1.00 0.00 C ATOM 602 O VAL A 38 -12.699 2.681 -0.534 1.00 0.00 O ATOM 603 CB VAL A 38 -13.787 4.538 -2.933 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.124 5.534 -1.979 1.00 0.00 C ATOM 605 CG2 VAL A 38 -13.779 5.066 -4.369 1.00 0.00 C ATOM 0 H VAL A 38 -14.894 2.273 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.475 3.079 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.826 4.420 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.621 6.501 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.206 5.167 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.072 5.644 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.264 6.042 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.750 5.160 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.318 4.372 -5.015 1.00 0.00 H new ATOM 615 N LEU A 39 -10.935 3.266 -1.823 1.00 0.00 N ATOM 616 CA LEU A 39 -9.969 3.161 -0.743 1.00 0.00 C ATOM 617 C LEU A 39 -9.243 4.498 -0.582 1.00 0.00 C ATOM 618 O LEU A 39 -8.440 4.879 -1.433 1.00 0.00 O ATOM 619 CB LEU A 39 -9.030 1.976 -0.977 1.00 0.00 C ATOM 620 CG LEU A 39 -9.521 0.620 -0.464 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.768 -0.527 -1.140 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.430 0.546 1.062 1.00 0.00 C ATOM 0 H LEU A 39 -10.541 3.543 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.474 2.956 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.844 1.891 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.073 2.197 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.573 0.514 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.136 -1.479 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.928 -0.482 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.703 -0.438 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.785 -0.427 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.394 0.683 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.046 1.330 1.502 1.00 0.00 H new ATOM 634 N ARG A 40 -9.551 5.175 0.514 1.00 0.00 N ATOM 635 CA ARG A 40 -8.938 6.461 0.797 1.00 0.00 C ATOM 636 C ARG A 40 -7.418 6.316 0.888 1.00 0.00 C ATOM 637 O ARG A 40 -6.916 5.399 1.535 1.00 0.00 O ATOM 638 CB ARG A 40 -9.467 7.047 2.108 1.00 0.00 C ATOM 639 CG ARG A 40 -9.827 8.525 1.943 1.00 0.00 C ATOM 640 CD ARG A 40 -11.051 8.888 2.785 1.00 0.00 C ATOM 641 NE ARG A 40 -11.990 9.708 1.987 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.735 9.228 0.968 1.00 0.00 C ATOM 643 NH1 ARG A 40 -12.657 7.928 0.615 1.00 0.00 N ATOM 644 NH2 ARG A 40 -13.541 10.051 0.323 1.00 0.00 N ATOM 0 H ARG A 40 -10.218 4.857 1.217 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.194 7.137 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.346 6.489 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.715 6.937 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.981 9.144 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.027 8.739 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.549 7.981 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.741 9.437 3.674 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.080 10.697 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.032 7.299 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.223 7.574 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.594 11.032 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.111 9.706 -0.449 1.00 0.00 H new ATOM 657 N VAL A 41 -6.727 7.235 0.229 1.00 0.00 N ATOM 658 CA VAL A 41 -5.274 7.221 0.227 1.00 0.00 C ATOM 659 C VAL A 41 -4.755 8.652 0.380 1.00 0.00 C ATOM 660 O VAL A 41 -5.535 9.603 0.378 1.00 0.00 O ATOM 661 CB VAL A 41 -4.760 6.530 -1.037 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.329 5.116 -1.159 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.078 7.359 -2.283 1.00 0.00 C ATOM 0 H VAL A 41 -7.147 7.994 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.896 6.646 1.072 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.676 6.449 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.948 4.647 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.029 4.527 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.417 5.164 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.702 6.845 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.157 7.487 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.602 8.336 -2.201 1.00 0.00 H new ATOM 673 N GLY A 42 -3.440 8.760 0.509 1.00 0.00 N ATOM 674 CA GLY A 42 -2.807 10.058 0.663 1.00 0.00 C ATOM 675 C GLY A 42 -1.283 9.936 0.604 1.00 0.00 C ATOM 676 O GLY A 42 -0.716 9.709 -0.464 1.00 0.00 O ATOM 0 H GLY A 42 -2.796 7.969 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.152 10.730 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.103 10.500 1.614 1.00 0.00 H new ATOM 680 N ARG A 43 -0.663 10.091 1.764 1.00 0.00 N ATOM 681 CA ARG A 43 0.784 10.001 1.858 1.00 0.00 C ATOM 682 C ARG A 43 1.246 10.337 3.277 1.00 0.00 C ATOM 683 O ARG A 43 0.890 11.382 3.819 1.00 0.00 O ATOM 684 CB ARG A 43 1.460 10.954 0.870 1.00 0.00 C ATOM 685 CG ARG A 43 2.704 10.311 0.253 1.00 0.00 C ATOM 686 CD ARG A 43 3.430 11.294 -0.668 1.00 0.00 C ATOM 687 NE ARG A 43 3.000 11.088 -2.069 1.00 0.00 N ATOM 688 CZ ARG A 43 3.049 12.041 -3.023 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.511 13.277 -2.735 1.00 0.00 N ATOM 690 NH2 ARG A 43 2.639 11.747 -4.243 1.00 0.00 N ATOM 0 H ARG A 43 -1.137 10.279 2.648 1.00 0.00 H new ATOM 0 HA ARG A 43 1.069 8.978 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.757 11.225 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.738 11.876 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.378 9.983 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.417 9.423 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.217 12.318 -0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.508 11.154 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 43 2.644 10.168 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.826 13.496 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.545 13.991 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.292 10.811 -4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.669 12.456 -4.976 1.00 0.00 H new ATOM 703 N PHE A 44 2.033 9.431 3.839 1.00 0.00 N ATOM 704 CA PHE A 44 2.547 9.618 5.185 1.00 0.00 C ATOM 705 C PHE A 44 3.481 10.828 5.252 1.00 0.00 C ATOM 706 O PHE A 44 3.600 11.468 6.296 1.00 0.00 O ATOM 707 CB PHE A 44 3.339 8.358 5.541 1.00 0.00 C ATOM 708 CG PHE A 44 3.433 8.085 7.043 1.00 0.00 C ATOM 709 CD1 PHE A 44 4.146 8.923 7.843 1.00 0.00 C ATOM 710 CD2 PHE A 44 2.804 7.005 7.579 1.00 0.00 C ATOM 711 CE1 PHE A 44 4.233 8.669 9.237 1.00 0.00 C ATOM 712 CE2 PHE A 44 2.891 6.752 8.973 1.00 0.00 C ATOM 713 CZ PHE A 44 3.604 7.589 9.773 1.00 0.00 C ATOM 0 H PHE A 44 2.327 8.565 3.387 1.00 0.00 H new ATOM 0 HA PHE A 44 1.723 9.790 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.875 7.500 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.347 8.448 5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.646 9.781 7.418 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.238 6.340 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.799 9.334 9.872 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.391 5.895 9.398 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.671 7.396 10.834 1.00 0.00 H new ATOM 723 N GLU A 45 4.118 11.106 4.124 1.00 0.00 N ATOM 724 CA GLU A 45 5.038 12.229 4.042 1.00 0.00 C ATOM 725 C GLU A 45 4.438 13.458 4.728 1.00 0.00 C ATOM 726 O GLU A 45 5.108 14.119 5.520 1.00 0.00 O ATOM 727 CB GLU A 45 5.399 12.535 2.587 1.00 0.00 C ATOM 728 CG GLU A 45 6.522 11.619 2.097 1.00 0.00 C ATOM 729 CD GLU A 45 7.621 12.424 1.398 1.00 0.00 C ATOM 730 OE1 GLU A 45 8.354 13.175 2.059 1.00 0.00 O ATOM 731 OE2 GLU A 45 7.698 12.248 0.123 1.00 0.00 O ATOM 0 H GLU A 45 4.016 10.574 3.260 1.00 0.00 H new ATOM 0 HA GLU A 45 5.957 11.960 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.520 12.408 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.708 13.576 2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.946 11.074 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.117 10.877 1.409 1.00 0.00 H new ATOM 739 N ASP A 46 3.183 13.726 4.400 1.00 0.00 N ATOM 740 CA ASP A 46 2.486 14.864 4.975 1.00 0.00 C ATOM 741 C ASP A 46 1.808 14.435 6.278 1.00 0.00 C ATOM 742 O ASP A 46 1.915 15.122 7.293 1.00 0.00 O ATOM 743 CB ASP A 46 1.403 15.383 4.027 1.00 0.00 C ATOM 744 CG ASP A 46 0.421 14.322 3.524 1.00 0.00 C ATOM 745 OD1 ASP A 46 -0.637 14.093 4.128 1.00 0.00 O ATOM 746 OD2 ASP A 46 0.785 13.709 2.449 1.00 0.00 O ATOM 0 H ASP A 46 2.630 13.175 3.743 1.00 0.00 H new ATOM 0 HA ASP A 46 3.217 15.653 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.840 16.165 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.886 15.846 3.167 1.00 0.00 H new ATOM 752 N ASP A 47 1.124 13.302 6.207 1.00 0.00 N ATOM 753 CA ASP A 47 0.429 12.774 7.369 1.00 0.00 C ATOM 754 C ASP A 47 -0.442 11.591 6.942 1.00 0.00 C ATOM 755 O ASP A 47 -0.515 10.584 7.644 1.00 0.00 O ATOM 756 CB ASP A 47 -0.483 13.832 7.993 1.00 0.00 C ATOM 757 CG ASP A 47 -0.432 13.911 9.520 1.00 0.00 C ATOM 758 OD1 ASP A 47 -0.266 12.892 10.207 1.00 0.00 O ATOM 759 OD2 ASP A 47 -0.573 15.096 10.010 1.00 0.00 O ATOM 0 H ASP A 47 1.036 12.735 5.363 1.00 0.00 H new ATOM 0 HA ASP A 47 1.178 12.467 8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.216 14.807 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.510 13.630 7.689 1.00 0.00 H new ATOM 765 N GLY A 48 -1.081 11.752 5.792 1.00 0.00 N ATOM 766 CA GLY A 48 -1.945 10.710 5.264 1.00 0.00 C ATOM 767 C GLY A 48 -3.180 11.310 4.590 1.00 0.00 C ATOM 768 O GLY A 48 -3.481 12.489 4.775 1.00 0.00 O ATOM 0 H GLY A 48 -1.017 12.588 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.393 10.104 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.254 10.045 6.071 1.00 0.00 H new ATOM 772 N TYR A 49 -3.863 10.473 3.823 1.00 0.00 N ATOM 773 CA TYR A 49 -5.059 10.906 3.122 1.00 0.00 C ATOM 774 C TYR A 49 -4.762 12.109 2.223 1.00 0.00 C ATOM 775 O TYR A 49 -4.051 13.028 2.626 1.00 0.00 O ATOM 776 CB TYR A 49 -6.054 11.327 4.205 1.00 0.00 C ATOM 777 CG TYR A 49 -7.070 12.374 3.744 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.148 11.995 2.969 1.00 0.00 C ATOM 779 CD2 TYR A 49 -6.909 13.697 4.102 1.00 0.00 C ATOM 780 CE1 TYR A 49 -9.104 12.980 2.535 1.00 0.00 C ATOM 781 CE2 TYR A 49 -7.866 14.682 3.668 1.00 0.00 C ATOM 782 CZ TYR A 49 -8.916 14.275 2.906 1.00 0.00 C ATOM 783 OH TYR A 49 -9.819 15.205 2.496 1.00 0.00 O ATOM 0 H TYR A 49 -3.610 9.496 3.672 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.444 10.106 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.590 10.445 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.502 11.722 5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.274 10.960 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.065 13.994 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.952 12.697 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.752 15.721 3.942 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.558 16.086 2.836 1.00 0.00 H new ATOM 793 N PHE A 50 -5.322 12.063 1.024 1.00 0.00 N ATOM 794 CA PHE A 50 -5.127 13.138 0.065 1.00 0.00 C ATOM 795 C PHE A 50 -5.870 12.850 -1.241 1.00 0.00 C ATOM 796 O PHE A 50 -6.421 13.759 -1.859 1.00 0.00 O ATOM 797 CB PHE A 50 -3.626 13.213 -0.223 1.00 0.00 C ATOM 798 CG PHE A 50 -3.076 14.639 -0.289 1.00 0.00 C ATOM 799 CD1 PHE A 50 -2.848 15.334 0.858 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.814 15.212 -1.494 1.00 0.00 C ATOM 801 CE1 PHE A 50 -2.337 16.657 0.797 1.00 0.00 C ATOM 802 CE2 PHE A 50 -2.303 16.535 -1.555 1.00 0.00 C ATOM 803 CZ PHE A 50 -2.076 17.230 -0.409 1.00 0.00 C ATOM 0 H PHE A 50 -5.911 11.298 0.694 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.511 14.073 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.090 12.663 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.422 12.712 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.056 14.879 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.995 14.660 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.155 17.208 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.095 16.990 -2.512 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.688 18.237 -0.456 1.00 0.00 H new ATOM 813 N CYS A 51 -5.862 11.581 -1.621 1.00 0.00 N ATOM 814 CA CYS A 51 -6.529 11.161 -2.842 1.00 0.00 C ATOM 815 C CYS A 51 -7.377 9.927 -2.527 1.00 0.00 C ATOM 816 O CYS A 51 -7.348 9.419 -1.407 1.00 0.00 O ATOM 817 CB CYS A 51 -5.530 10.895 -3.970 1.00 0.00 C ATOM 818 SG CYS A 51 -4.214 12.166 -3.953 1.00 0.00 S ATOM 0 H CYS A 51 -5.404 10.830 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.175 11.962 -3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.091 9.904 -3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.044 10.904 -4.931 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.370 11.930 -4.913 1.00 0.00 H new ATOM 824 N THR A 52 -8.112 9.480 -3.535 1.00 0.00 N ATOM 825 CA THR A 52 -8.966 8.315 -3.380 1.00 0.00 C ATOM 826 C THR A 52 -8.668 7.286 -4.471 1.00 0.00 C ATOM 827 O THR A 52 -8.317 7.649 -5.593 1.00 0.00 O ATOM 828 CB THR A 52 -10.420 8.792 -3.375 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.400 9.958 -2.555 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.349 7.830 -2.632 1.00 0.00 C ATOM 0 H THR A 52 -8.134 9.904 -4.462 1.00 0.00 H new ATOM 0 HA THR A 52 -8.773 7.806 -2.436 1.00 0.00 H new ATOM 0 HB THR A 52 -10.766 8.911 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.303 10.334 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.368 8.215 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.319 6.852 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.023 7.737 -1.596 1.00 0.00 H new ATOM 838 N ILE A 53 -8.819 6.022 -4.105 1.00 0.00 N ATOM 839 CA ILE A 53 -8.571 4.937 -5.040 1.00 0.00 C ATOM 840 C ILE A 53 -9.737 3.948 -4.988 1.00 0.00 C ATOM 841 O ILE A 53 -10.622 4.070 -4.143 1.00 0.00 O ATOM 842 CB ILE A 53 -7.209 4.296 -4.766 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.274 3.364 -3.555 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.122 5.362 -4.611 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.135 1.901 -3.981 1.00 0.00 C ATOM 0 H ILE A 53 -9.110 5.724 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.520 5.317 -6.060 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.941 3.685 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.481 3.619 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.220 3.506 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.164 4.879 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.054 5.948 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.373 6.019 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.185 1.260 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.944 1.643 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.177 1.757 -4.481 1.00 0.00 H new ATOM 857 N GLU A 54 -9.701 2.991 -5.904 1.00 0.00 N ATOM 858 CA GLU A 54 -10.744 1.982 -5.974 1.00 0.00 C ATOM 859 C GLU A 54 -10.131 0.581 -5.922 1.00 0.00 C ATOM 860 O GLU A 54 -9.097 0.329 -6.538 1.00 0.00 O ATOM 861 CB GLU A 54 -11.597 2.161 -7.231 1.00 0.00 C ATOM 862 CG GLU A 54 -13.070 2.360 -6.870 1.00 0.00 C ATOM 863 CD GLU A 54 -13.768 3.260 -7.893 1.00 0.00 C ATOM 864 OE1 GLU A 54 -13.346 4.407 -8.099 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.784 2.727 -8.483 1.00 0.00 O ATOM 0 H GLU A 54 -8.966 2.893 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.399 2.103 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.239 3.020 -7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.491 1.287 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.572 1.393 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.148 2.803 -5.877 1.00 0.00 H new ATOM 873 N VAL A 55 -10.795 -0.293 -5.181 1.00 0.00 N ATOM 874 CA VAL A 55 -10.329 -1.662 -5.040 1.00 0.00 C ATOM 875 C VAL A 55 -10.570 -2.416 -6.350 1.00 0.00 C ATOM 876 O VAL A 55 -11.370 -1.986 -7.179 1.00 0.00 O ATOM 877 CB VAL A 55 -11.004 -2.324 -3.837 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.044 -3.281 -3.128 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.548 -1.274 -2.867 1.00 0.00 C ATOM 0 H VAL A 55 -11.653 -0.080 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.257 -1.682 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.847 -2.908 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.549 -3.738 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.727 -4.059 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.172 -2.729 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.023 -1.771 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.729 -0.651 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.281 -0.651 -3.379 1.00 0.00 H new ATOM 889 N THR A 56 -9.863 -3.526 -6.496 1.00 0.00 N ATOM 890 CA THR A 56 -9.989 -4.343 -7.690 1.00 0.00 C ATOM 891 C THR A 56 -9.934 -5.829 -7.329 1.00 0.00 C ATOM 892 O THR A 56 -10.741 -6.620 -7.815 1.00 0.00 O ATOM 893 CB THR A 56 -8.897 -3.916 -8.673 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.240 -4.584 -9.885 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.525 -4.487 -8.308 1.00 0.00 C ATOM 0 H THR A 56 -9.200 -3.879 -5.806 1.00 0.00 H new ATOM 0 HA THR A 56 -10.956 -4.193 -8.170 1.00 0.00 H new ATOM 0 HB THR A 56 -8.841 -2.828 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.550 -3.928 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.787 -4.154 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.238 -4.139 -7.316 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.572 -5.576 -8.311 1.00 0.00 H new ATOM 903 N ALA A 57 -8.975 -6.163 -6.478 1.00 0.00 N ATOM 904 CA ALA A 57 -8.804 -7.540 -6.046 1.00 0.00 C ATOM 905 C ALA A 57 -8.354 -7.559 -4.584 1.00 0.00 C ATOM 906 O ALA A 57 -8.012 -6.519 -4.023 1.00 0.00 O ATOM 907 CB ALA A 57 -7.812 -8.246 -6.971 1.00 0.00 C ATOM 0 H ALA A 57 -8.308 -5.504 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.748 -8.082 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.684 -9.279 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.193 -8.231 -7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.851 -7.732 -6.934 1.00 0.00 H new ATOM 913 N THR A 58 -8.368 -8.752 -4.009 1.00 0.00 N ATOM 914 CA THR A 58 -7.965 -8.920 -2.623 1.00 0.00 C ATOM 915 C THR A 58 -7.597 -10.380 -2.348 1.00 0.00 C ATOM 916 O THR A 58 -8.255 -11.293 -2.843 1.00 0.00 O ATOM 917 CB THR A 58 -9.098 -8.401 -1.735 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.853 -7.000 -1.644 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.983 -8.894 -0.292 1.00 0.00 C ATOM 0 H THR A 58 -8.652 -9.612 -4.478 1.00 0.00 H new ATOM 0 HA THR A 58 -7.067 -8.344 -2.399 1.00 0.00 H new ATOM 0 HB THR A 58 -10.057 -8.713 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.263 -6.723 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.811 -8.497 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.016 -9.983 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.040 -8.554 0.135 1.00 0.00 H new ATOM 927 N SER A 59 -6.548 -10.553 -1.558 1.00 0.00 N ATOM 928 CA SER A 59 -6.085 -11.886 -1.211 1.00 0.00 C ATOM 929 C SER A 59 -5.284 -11.838 0.092 1.00 0.00 C ATOM 930 O SER A 59 -4.928 -10.761 0.567 1.00 0.00 O ATOM 931 CB SER A 59 -5.236 -12.484 -2.334 1.00 0.00 C ATOM 932 OG SER A 59 -4.950 -11.530 -3.353 1.00 0.00 O ATOM 0 H SER A 59 -6.005 -9.793 -1.148 1.00 0.00 H new ATOM 0 HA SER A 59 -6.957 -12.526 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.302 -12.863 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.759 -13.335 -2.770 1.00 0.00 H new ATOM 0 HG SER A 59 -4.405 -11.950 -4.051 1.00 0.00 H new ATOM 938 N THR A 60 -5.024 -13.020 0.633 1.00 0.00 N ATOM 939 CA THR A 60 -4.271 -13.127 1.871 1.00 0.00 C ATOM 940 C THR A 60 -2.835 -13.569 1.586 1.00 0.00 C ATOM 941 O THR A 60 -2.600 -14.709 1.187 1.00 0.00 O ATOM 942 CB THR A 60 -5.027 -14.077 2.803 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.761 -14.919 1.918 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.105 -13.362 3.619 1.00 0.00 C ATOM 0 H THR A 60 -5.322 -13.911 0.236 1.00 0.00 H new ATOM 0 HA THR A 60 -4.186 -12.160 2.368 1.00 0.00 H new ATOM 0 HB THR A 60 -4.322 -14.560 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.279 -15.568 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.611 -14.081 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.644 -12.588 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.830 -12.907 2.944 1.00 0.00 H new ATOM 952 N VAL A 61 -1.911 -12.645 1.802 1.00 0.00 N ATOM 953 CA VAL A 61 -0.504 -12.925 1.573 1.00 0.00 C ATOM 954 C VAL A 61 0.346 -11.942 2.381 1.00 0.00 C ATOM 955 O VAL A 61 -0.185 -11.022 3.002 1.00 0.00 O ATOM 956 CB VAL A 61 -0.199 -12.886 0.074 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.786 -13.991 -0.314 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.485 -12.984 -0.749 1.00 0.00 C ATOM 0 H VAL A 61 -2.109 -11.701 2.133 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.255 -13.929 1.916 1.00 0.00 H new ATOM 0 HB VAL A 61 0.269 -11.927 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.986 -13.941 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.718 -13.857 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.357 -14.963 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.241 -12.954 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.993 -13.921 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.139 -12.147 -0.503 1.00 0.00 H new ATOM 968 N THR A 62 1.651 -12.171 2.348 1.00 0.00 N ATOM 969 CA THR A 62 2.579 -11.317 3.069 1.00 0.00 C ATOM 970 C THR A 62 2.713 -9.963 2.369 1.00 0.00 C ATOM 971 O THR A 62 1.799 -9.530 1.668 1.00 0.00 O ATOM 972 CB THR A 62 3.906 -12.066 3.202 1.00 0.00 C ATOM 973 OG1 THR A 62 3.520 -13.402 3.516 1.00 0.00 O ATOM 974 CG2 THR A 62 4.714 -11.615 4.420 1.00 0.00 C ATOM 0 H THR A 62 2.087 -12.936 1.833 1.00 0.00 H new ATOM 0 HA THR A 62 2.213 -11.094 4.071 1.00 0.00 H new ATOM 0 HB THR A 62 4.499 -11.918 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.320 -13.958 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.646 -12.178 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.937 -10.551 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.136 -11.794 5.327 1.00 0.00 H new ATOM 982 N LEU A 63 3.858 -9.333 2.583 1.00 0.00 N ATOM 983 CA LEU A 63 4.123 -8.037 1.981 1.00 0.00 C ATOM 984 C LEU A 63 5.002 -8.225 0.743 1.00 0.00 C ATOM 985 O LEU A 63 4.535 -8.066 -0.384 1.00 0.00 O ATOM 986 CB LEU A 63 4.716 -7.077 3.015 1.00 0.00 C ATOM 987 CG LEU A 63 5.892 -7.614 3.833 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.201 -6.940 3.418 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.626 -7.475 5.333 1.00 0.00 C ATOM 0 H LEU A 63 4.613 -9.696 3.165 1.00 0.00 H new ATOM 0 HA LEU A 63 3.194 -7.575 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.041 -6.174 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.924 -6.783 3.704 1.00 0.00 H new ATOM 0 HG LEU A 63 5.997 -8.678 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.021 -7.340 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.392 -7.134 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.124 -5.865 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.478 -7.864 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.480 -6.424 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.731 -8.038 5.597 1.00 0.00 H new ATOM 1001 N ASP A 64 6.259 -8.561 0.994 1.00 0.00 N ATOM 1002 CA ASP A 64 7.207 -8.773 -0.087 1.00 0.00 C ATOM 1003 C ASP A 64 6.644 -9.813 -1.057 1.00 0.00 C ATOM 1004 O ASP A 64 7.194 -10.021 -2.138 1.00 0.00 O ATOM 1005 CB ASP A 64 8.542 -9.297 0.446 1.00 0.00 C ATOM 1006 CG ASP A 64 9.781 -8.753 -0.267 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.681 -8.125 -1.331 1.00 0.00 O ATOM 1008 OD2 ASP A 64 10.902 -9.001 0.322 1.00 0.00 O ATOM 0 H ASP A 64 6.643 -8.692 1.930 1.00 0.00 H new ATOM 0 HA ASP A 64 7.368 -7.818 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.614 -9.052 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.545 -10.384 0.369 1.00 0.00 H new ATOM 1014 N THR A 65 5.554 -10.439 -0.637 1.00 0.00 N ATOM 1015 CA THR A 65 4.911 -11.453 -1.455 1.00 0.00 C ATOM 1016 C THR A 65 4.111 -10.799 -2.583 1.00 0.00 C ATOM 1017 O THR A 65 3.485 -11.489 -3.386 1.00 0.00 O ATOM 1018 CB THR A 65 4.059 -12.332 -0.536 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.568 -11.429 0.450 1.00 0.00 O ATOM 1020 CG2 THR A 65 4.899 -13.333 0.260 1.00 0.00 C ATOM 0 H THR A 65 5.100 -10.263 0.259 1.00 0.00 H new ATOM 0 HA THR A 65 5.647 -12.089 -1.947 1.00 0.00 H new ATOM 0 HB THR A 65 3.320 -12.870 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.178 -10.645 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.246 -13.931 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.434 -13.987 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.615 -12.795 0.880 1.00 0.00 H new ATOM 1028 N LEU A 66 4.157 -9.475 -2.607 1.00 0.00 N ATOM 1029 CA LEU A 66 3.444 -8.720 -3.624 1.00 0.00 C ATOM 1030 C LEU A 66 3.702 -7.226 -3.417 1.00 0.00 C ATOM 1031 O LEU A 66 3.886 -6.485 -4.382 1.00 0.00 O ATOM 1032 CB LEU A 66 1.961 -9.094 -3.627 1.00 0.00 C ATOM 1033 CG LEU A 66 1.289 -9.184 -2.255 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.622 -7.858 -1.883 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.305 -10.355 -2.202 1.00 0.00 C ATOM 0 H LEU A 66 4.677 -8.906 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 66 3.814 -8.973 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.423 -8.359 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.850 -10.056 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 66 2.060 -9.377 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.152 -7.949 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.373 -7.069 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.135 -7.610 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.159 -10.396 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.466 -10.217 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.838 -11.287 -2.392 1.00 0.00 H new ATOM 1047 N THR A 67 3.706 -6.828 -2.154 1.00 0.00 N ATOM 1048 CA THR A 67 3.937 -5.436 -1.808 1.00 0.00 C ATOM 1049 C THR A 67 5.055 -4.850 -2.674 1.00 0.00 C ATOM 1050 O THR A 67 5.930 -5.578 -3.140 1.00 0.00 O ATOM 1051 CB THR A 67 4.229 -5.363 -0.308 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.784 -4.063 0.070 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.729 -5.345 -0.004 1.00 0.00 C ATOM 0 H THR A 67 3.553 -7.446 -1.357 1.00 0.00 H new ATOM 0 HA THR A 67 3.057 -4.827 -2.012 1.00 0.00 H new ATOM 0 HB THR A 67 3.766 -6.213 0.193 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.645 -4.034 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.881 -5.293 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.190 -6.254 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.186 -4.476 -0.477 1.00 0.00 H new ATOM 1061 N GLU A 68 4.989 -3.541 -2.863 1.00 0.00 N ATOM 1062 CA GLU A 68 5.984 -2.849 -3.665 1.00 0.00 C ATOM 1063 C GLU A 68 7.392 -3.188 -3.171 1.00 0.00 C ATOM 1064 O GLU A 68 8.362 -3.066 -3.918 1.00 0.00 O ATOM 1065 CB GLU A 68 5.747 -1.338 -3.649 1.00 0.00 C ATOM 1066 CG GLU A 68 4.932 -0.898 -4.868 1.00 0.00 C ATOM 1067 CD GLU A 68 5.821 -0.201 -5.899 1.00 0.00 C ATOM 1068 OE1 GLU A 68 5.917 1.035 -5.900 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.426 -0.991 -6.721 1.00 0.00 O ATOM 0 H GLU A 68 4.262 -2.941 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 68 5.890 -3.187 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.222 -1.058 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.704 -0.816 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.453 -1.766 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.136 -0.223 -4.553 1.00 0.00 H new ATOM 1077 N LYS A 69 7.460 -3.607 -1.916 1.00 0.00 N ATOM 1078 CA LYS A 69 8.733 -3.964 -1.313 1.00 0.00 C ATOM 1079 C LYS A 69 9.487 -4.910 -2.250 1.00 0.00 C ATOM 1080 O LYS A 69 10.713 -4.855 -2.337 1.00 0.00 O ATOM 1081 CB LYS A 69 8.520 -4.531 0.092 1.00 0.00 C ATOM 1082 CG LYS A 69 9.853 -4.682 0.829 1.00 0.00 C ATOM 1083 CD LYS A 69 9.864 -5.949 1.686 1.00 0.00 C ATOM 1084 CE LYS A 69 11.248 -6.186 2.295 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.243 -7.406 3.133 1.00 0.00 N ATOM 0 H LYS A 69 6.653 -3.707 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 69 9.355 -3.079 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.860 -3.873 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.025 -5.500 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.669 -4.719 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.025 -3.810 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.123 -5.862 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.579 -6.807 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.989 -6.286 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.539 -5.325 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.131 -7.461 3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.440 -7.371 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.154 -8.245 2.525 1.00 0.00 H new ATOM 1098 N HIS A 70 8.724 -5.755 -2.927 1.00 0.00 N ATOM 1099 CA HIS A 70 9.305 -6.711 -3.854 1.00 0.00 C ATOM 1100 C HIS A 70 9.872 -5.970 -5.067 1.00 0.00 C ATOM 1101 O HIS A 70 11.046 -6.124 -5.399 1.00 0.00 O ATOM 1102 CB HIS A 70 8.285 -7.785 -4.238 1.00 0.00 C ATOM 1103 CG HIS A 70 8.662 -8.578 -5.466 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.008 -8.169 -6.720 1.00 0.00 N flip ATOM 1105 CD2 HIS A 70 8.708 -9.961 -5.480 1.00 0.00 C flip ATOM 1106 CE1 HIS A 70 9.254 -9.243 -7.459 1.00 0.00 C flip ATOM 1107 NE2 HIS A 70 9.068 -10.356 -6.693 1.00 0.00 N flip ATOM 0 H HIS A 70 7.708 -5.798 -2.852 1.00 0.00 H new ATOM 0 HA HIS A 70 10.131 -7.234 -3.372 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.161 -8.470 -3.399 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.319 -7.310 -4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.488 -10.609 -4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.553 -9.237 -8.497 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.185 -11.322 -6.999 1.00 0.00 H new ATOM 1115 N ALA A 71 9.011 -5.183 -5.695 1.00 0.00 N ATOM 1116 CA ALA A 71 9.411 -4.419 -6.864 1.00 0.00 C ATOM 1117 C ALA A 71 10.639 -3.574 -6.519 1.00 0.00 C ATOM 1118 O ALA A 71 11.533 -3.406 -7.348 1.00 0.00 O ATOM 1119 CB ALA A 71 8.234 -3.567 -7.344 1.00 0.00 C ATOM 0 H ALA A 71 8.038 -5.058 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 71 9.687 -5.085 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.534 -2.994 -8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.397 -4.216 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.932 -2.884 -6.550 1.00 0.00 H new ATOM 1125 N GLU A 72 10.644 -3.065 -5.296 1.00 0.00 N ATOM 1126 CA GLU A 72 11.748 -2.242 -4.832 1.00 0.00 C ATOM 1127 C GLU A 72 12.984 -3.107 -4.578 1.00 0.00 C ATOM 1128 O GLU A 72 14.095 -2.733 -4.951 1.00 0.00 O ATOM 1129 CB GLU A 72 11.358 -1.459 -3.577 1.00 0.00 C ATOM 1130 CG GLU A 72 11.654 0.032 -3.747 1.00 0.00 C ATOM 1131 CD GLU A 72 11.502 0.776 -2.418 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.398 0.821 -1.855 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.583 1.320 -1.971 1.00 0.00 O ATOM 0 H GLU A 72 9.901 -3.207 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 72 11.989 -1.518 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.297 -1.602 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.905 -1.846 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.667 0.164 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.977 0.459 -4.487 1.00 0.00 H new ATOM 1141 N GLN A 73 12.750 -4.247 -3.945 1.00 0.00 N ATOM 1142 CA GLN A 73 13.830 -5.167 -3.636 1.00 0.00 C ATOM 1143 C GLN A 73 14.691 -5.411 -4.878 1.00 0.00 C ATOM 1144 O GLN A 73 15.908 -5.553 -4.775 1.00 0.00 O ATOM 1145 CB GLN A 73 13.287 -6.485 -3.079 1.00 0.00 C ATOM 1146 CG GLN A 73 14.147 -6.985 -1.917 1.00 0.00 C ATOM 1147 CD GLN A 73 14.342 -8.501 -1.993 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.682 -9.201 -2.743 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.282 -8.967 -1.175 1.00 0.00 N ATOM 0 H GLN A 73 11.827 -4.554 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 73 14.455 -4.716 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.260 -6.346 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.264 -7.236 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.117 -6.488 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.674 -6.722 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.798 -8.325 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.487 -9.966 -1.150 1.00 0.00 H new ATOM 1158 N GLU A 74 14.024 -5.452 -6.022 1.00 0.00 N ATOM 1159 CA GLU A 74 14.713 -5.676 -7.282 1.00 0.00 C ATOM 1160 C GLU A 74 15.001 -4.342 -7.974 1.00 0.00 C ATOM 1161 O GLU A 74 15.108 -4.284 -9.198 1.00 0.00 O ATOM 1162 CB GLU A 74 13.904 -6.602 -8.192 1.00 0.00 C ATOM 1163 CG GLU A 74 14.564 -7.978 -8.301 1.00 0.00 C ATOM 1164 CD GLU A 74 14.478 -8.516 -9.731 1.00 0.00 C ATOM 1165 OE1 GLU A 74 13.473 -9.143 -10.098 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.503 -8.261 -10.472 1.00 0.00 O ATOM 0 H GLU A 74 13.014 -5.334 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 74 15.663 -6.167 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.893 -6.710 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.816 -6.157 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.608 -7.909 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.078 -8.674 -7.617 1.00 0.00 H new ATOM 1174 N ASN A 75 15.118 -3.303 -7.160 1.00 0.00 N ATOM 1175 CA ASN A 75 15.391 -1.973 -7.679 1.00 0.00 C ATOM 1176 C ASN A 75 16.278 -1.216 -6.688 1.00 0.00 C ATOM 1177 O ASN A 75 17.391 -0.817 -7.025 1.00 0.00 O ATOM 1178 CB ASN A 75 14.098 -1.176 -7.860 1.00 0.00 C ATOM 1179 CG ASN A 75 14.323 0.036 -8.766 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.014 1.018 -8.193 1.00 0.00 O flip ATOM 1181 ND2 ASN A 75 13.899 0.077 -9.909 1.00 0.00 N flip ATOM 0 H ASN A 75 15.029 -3.355 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 75 15.885 -2.083 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.328 -1.817 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.732 -0.845 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.375 -0.712 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.068 0.901 -10.486 1.00 0.00 H new ATOM 1188 N MET A 76 15.751 -1.042 -5.485 1.00 0.00 N ATOM 1189 CA MET A 76 16.480 -0.340 -4.442 1.00 0.00 C ATOM 1190 C MET A 76 17.323 -1.312 -3.613 1.00 0.00 C ATOM 1191 O MET A 76 17.301 -2.518 -3.853 1.00 0.00 O ATOM 1192 CB MET A 76 15.492 0.387 -3.528 1.00 0.00 C ATOM 1193 CG MET A 76 14.673 1.414 -4.313 1.00 0.00 C ATOM 1194 SD MET A 76 15.733 2.733 -4.882 1.00 0.00 S ATOM 1195 CE MET A 76 15.172 4.059 -3.827 1.00 0.00 C ATOM 0 H MET A 76 14.827 -1.375 -5.209 1.00 0.00 H new ATOM 0 HA MET A 76 17.148 0.380 -4.914 1.00 0.00 H new ATOM 0 HB2 MET A 76 14.824 -0.336 -3.061 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.034 0.886 -2.724 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.189 0.933 -5.163 1.00 0.00 H new ATOM 0 HG3 MET A 76 13.881 1.819 -3.683 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.804 4.935 -3.976 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.141 4.310 -4.075 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.229 3.744 -2.785 1.00 0.00 H new ATOM 1205 N THR A 77 18.045 -0.750 -2.655 1.00 0.00 N ATOM 1206 CA THR A 77 18.893 -1.552 -1.790 1.00 0.00 C ATOM 1207 C THR A 77 18.102 -2.045 -0.576 1.00 0.00 C ATOM 1208 O THR A 77 16.905 -1.783 -0.463 1.00 0.00 O ATOM 1209 CB THR A 77 20.116 -0.712 -1.417 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.887 -1.573 -0.583 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.763 0.468 -0.509 1.00 0.00 C ATOM 0 H THR A 77 18.060 0.251 -2.459 1.00 0.00 H new ATOM 0 HA THR A 77 19.240 -2.451 -2.299 1.00 0.00 H new ATOM 0 HB THR A 77 20.591 -0.341 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.701 -1.108 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.667 1.030 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.052 1.119 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.318 0.096 0.414 1.00 0.00 H new ATOM 1219 N LEU A 78 18.802 -2.750 0.300 1.00 0.00 N ATOM 1220 CA LEU A 78 18.180 -3.282 1.500 1.00 0.00 C ATOM 1221 C LEU A 78 17.873 -2.133 2.463 1.00 0.00 C ATOM 1222 O LEU A 78 16.839 -2.135 3.128 1.00 0.00 O ATOM 1223 CB LEU A 78 19.051 -4.381 2.113 1.00 0.00 C ATOM 1224 CG LEU A 78 18.680 -5.817 1.739 1.00 0.00 C ATOM 1225 CD1 LEU A 78 18.685 -6.008 0.221 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.592 -6.821 2.446 1.00 0.00 C ATOM 0 H LEU A 78 19.794 -2.965 0.203 1.00 0.00 H new ATOM 0 HA LEU A 78 17.230 -3.758 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.085 -4.205 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.010 -4.287 3.198 1.00 0.00 H new ATOM 0 HG LEU A 78 17.664 -6.007 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.418 -7.038 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.961 -5.331 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.679 -5.792 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.307 -7.834 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.627 -6.641 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 78 19.493 -6.705 3.525 1.00 0.00 H new ATOM 1238 N THR A 79 18.791 -1.178 2.506 1.00 0.00 N ATOM 1239 CA THR A 79 18.632 -0.025 3.376 1.00 0.00 C ATOM 1240 C THR A 79 17.360 0.744 3.013 1.00 0.00 C ATOM 1241 O THR A 79 16.585 1.118 3.892 1.00 0.00 O ATOM 1242 CB THR A 79 19.903 0.821 3.277 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.844 0.129 4.093 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.753 2.184 3.955 1.00 0.00 C ATOM 0 H THR A 79 19.648 -1.179 1.952 1.00 0.00 H new ATOM 0 HA THR A 79 18.506 -0.328 4.416 1.00 0.00 H new ATOM 0 HB THR A 79 20.163 0.964 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.699 0.608 4.085 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.683 2.744 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.943 2.739 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.526 2.042 5.012 1.00 0.00 H new ATOM 1252 N GLU A 80 17.184 0.957 1.718 1.00 0.00 N ATOM 1253 CA GLU A 80 16.020 1.675 1.228 1.00 0.00 C ATOM 1254 C GLU A 80 14.753 0.848 1.455 1.00 0.00 C ATOM 1255 O GLU A 80 13.699 1.395 1.774 1.00 0.00 O ATOM 1256 CB GLU A 80 16.181 2.039 -0.249 1.00 0.00 C ATOM 1257 CG GLU A 80 16.788 3.434 -0.407 1.00 0.00 C ATOM 1258 CD GLU A 80 17.811 3.715 0.695 1.00 0.00 C ATOM 1259 OE1 GLU A 80 17.495 4.411 1.672 1.00 0.00 O ATOM 1260 OE2 GLU A 80 18.971 3.180 0.512 1.00 0.00 O ATOM 0 H GLU A 80 17.829 0.645 0.992 1.00 0.00 H new ATOM 0 HA GLU A 80 15.929 2.605 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.818 1.304 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.211 2.003 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.267 3.518 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.998 4.184 -0.374 1.00 0.00 H new ATOM 1268 N LEU A 81 14.898 -0.457 1.280 1.00 0.00 N ATOM 1269 CA LEU A 81 13.778 -1.365 1.461 1.00 0.00 C ATOM 1270 C LEU A 81 13.292 -1.287 2.910 1.00 0.00 C ATOM 1271 O LEU A 81 12.092 -1.357 3.171 1.00 0.00 O ATOM 1272 CB LEU A 81 14.157 -2.779 1.015 1.00 0.00 C ATOM 1273 CG LEU A 81 13.971 -3.086 -0.472 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.719 -3.934 -0.706 1.00 0.00 C ATOM 1275 CD2 LEU A 81 13.954 -1.799 -1.299 1.00 0.00 C ATOM 0 H LEU A 81 15.774 -0.907 1.015 1.00 0.00 H new ATOM 0 HA LEU A 81 12.942 -1.069 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.202 -2.952 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.564 -3.491 1.589 1.00 0.00 H new ATOM 0 HG LEU A 81 14.825 -3.674 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.611 -4.137 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.811 -4.875 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.842 -3.394 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.821 -2.045 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.132 -1.164 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.897 -1.269 -1.167 1.00 0.00 H new ATOM 1287 N LYS A 82 14.250 -1.142 3.814 1.00 0.00 N ATOM 1288 CA LYS A 82 13.934 -1.053 5.230 1.00 0.00 C ATOM 1289 C LYS A 82 13.312 0.313 5.525 1.00 0.00 C ATOM 1290 O LYS A 82 12.386 0.417 6.327 1.00 0.00 O ATOM 1291 CB LYS A 82 15.173 -1.360 6.074 1.00 0.00 C ATOM 1292 CG LYS A 82 14.810 -2.222 7.286 1.00 0.00 C ATOM 1293 CD LYS A 82 15.497 -3.588 7.212 1.00 0.00 C ATOM 1294 CE LYS A 82 15.792 -4.129 8.612 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.713 -5.607 8.623 1.00 0.00 N ATOM 0 H LYS A 82 15.244 -1.084 3.594 1.00 0.00 H new ATOM 0 HA LYS A 82 13.194 -1.805 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.914 -1.877 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.629 -0.429 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.106 -1.711 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.729 -2.356 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.861 -4.290 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.426 -3.502 6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.784 -3.809 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.080 -3.715 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.916 -5.958 9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.758 -5.906 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.410 -5.997 7.956 1.00 0.00 H new ATOM 1308 N LYS A 83 13.846 1.327 4.860 1.00 0.00 N ATOM 1309 CA LYS A 83 13.354 2.682 5.040 1.00 0.00 C ATOM 1310 C LYS A 83 11.880 2.744 4.635 1.00 0.00 C ATOM 1311 O LYS A 83 11.038 3.195 5.409 1.00 0.00 O ATOM 1312 CB LYS A 83 14.241 3.678 4.290 1.00 0.00 C ATOM 1313 CG LYS A 83 14.792 4.745 5.238 1.00 0.00 C ATOM 1314 CD LYS A 83 15.622 4.109 6.355 1.00 0.00 C ATOM 1315 CE LYS A 83 17.111 4.406 6.168 1.00 0.00 C ATOM 1316 NZ LYS A 83 17.928 3.248 6.594 1.00 0.00 N ATOM 0 H LYS A 83 14.615 1.237 4.196 1.00 0.00 H new ATOM 0 HA LYS A 83 13.408 2.970 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.066 3.148 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.667 4.154 3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.407 5.450 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.968 5.313 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.290 4.489 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.461 3.031 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.313 4.636 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.388 5.287 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.937 3.479 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.722 3.025 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.700 2.425 6.001 1.00 0.00 H new ATOM 1329 N VAL A 84 11.614 2.283 3.422 1.00 0.00 N ATOM 1330 CA VAL A 84 10.256 2.280 2.904 1.00 0.00 C ATOM 1331 C VAL A 84 9.387 1.366 3.770 1.00 0.00 C ATOM 1332 O VAL A 84 8.305 1.760 4.204 1.00 0.00 O ATOM 1333 CB VAL A 84 10.259 1.879 1.428 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.214 2.762 0.622 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.611 0.399 1.262 1.00 0.00 C ATOM 0 H VAL A 84 12.315 1.909 2.783 1.00 0.00 H new ATOM 0 HA VAL A 84 9.826 3.281 2.954 1.00 0.00 H new ATOM 0 HB VAL A 84 9.252 2.030 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.197 2.456 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.901 3.803 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.225 2.657 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.606 0.140 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.602 0.212 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.876 -0.211 1.788 1.00 0.00 H new ATOM 1345 N ILE A 85 9.892 0.162 3.995 1.00 0.00 N ATOM 1346 CA ILE A 85 9.175 -0.812 4.802 1.00 0.00 C ATOM 1347 C ILE A 85 8.798 -0.178 6.142 1.00 0.00 C ATOM 1348 O ILE A 85 7.695 -0.392 6.645 1.00 0.00 O ATOM 1349 CB ILE A 85 9.990 -2.099 4.938 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.839 -2.978 3.694 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.621 -2.849 6.219 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.690 -3.974 3.864 1.00 0.00 C ATOM 0 H ILE A 85 10.789 -0.162 3.633 1.00 0.00 H new ATOM 0 HA ILE A 85 8.245 -1.102 4.313 1.00 0.00 H new ATOM 0 HB ILE A 85 11.043 -1.830 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.656 -2.351 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.768 -3.517 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.215 -3.760 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.823 -2.215 7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.562 -3.107 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.604 -4.587 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.888 -4.615 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.758 -3.431 4.024 1.00 0.00 H new ATOM 1364 N ALA A 86 9.733 0.588 6.683 1.00 0.00 N ATOM 1365 CA ALA A 86 9.513 1.254 7.955 1.00 0.00 C ATOM 1366 C ALA A 86 8.565 2.438 7.749 1.00 0.00 C ATOM 1367 O ALA A 86 7.915 2.888 8.691 1.00 0.00 O ATOM 1368 CB ALA A 86 10.857 1.680 8.549 1.00 0.00 C ATOM 0 H ALA A 86 10.646 0.763 6.263 1.00 0.00 H new ATOM 0 HA ALA A 86 9.043 0.575 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.691 2.180 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.482 0.800 8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.357 2.364 7.864 1.00 0.00 H new ATOM 1374 N ASP A 87 8.517 2.907 6.511 1.00 0.00 N ATOM 1375 CA ASP A 87 7.660 4.030 6.169 1.00 0.00 C ATOM 1376 C ASP A 87 6.245 3.519 5.891 1.00 0.00 C ATOM 1377 O ASP A 87 5.271 4.249 6.069 1.00 0.00 O ATOM 1378 CB ASP A 87 8.161 4.743 4.911 1.00 0.00 C ATOM 1379 CG ASP A 87 8.794 6.114 5.154 1.00 0.00 C ATOM 1380 OD1 ASP A 87 8.094 7.134 5.242 1.00 0.00 O ATOM 1381 OD2 ASP A 87 10.080 6.111 5.256 1.00 0.00 O ATOM 0 H ASP A 87 9.057 2.530 5.732 1.00 0.00 H new ATOM 0 HA ASP A 87 7.669 4.728 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.893 4.104 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.325 4.862 4.222 1.00 0.00 H new ATOM 1387 N ILE A 88 6.176 2.269 5.457 1.00 0.00 N ATOM 1388 CA ILE A 88 4.896 1.652 5.153 1.00 0.00 C ATOM 1389 C ILE A 88 4.414 0.860 6.370 1.00 0.00 C ATOM 1390 O ILE A 88 3.350 1.143 6.918 1.00 0.00 O ATOM 1391 CB ILE A 88 4.995 0.817 3.875 1.00 0.00 C ATOM 1392 CG1 ILE A 88 6.041 1.396 2.920 1.00 0.00 C ATOM 1393 CG2 ILE A 88 3.626 0.673 3.206 1.00 0.00 C ATOM 1394 CD1 ILE A 88 5.488 1.498 1.497 1.00 0.00 C ATOM 0 H ILE A 88 6.986 1.667 5.309 1.00 0.00 H new ATOM 0 HA ILE A 88 4.144 2.414 4.951 1.00 0.00 H new ATOM 0 HB ILE A 88 5.328 -0.185 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.348 2.383 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.930 0.766 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.725 0.075 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.936 0.181 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.241 1.660 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.252 1.912 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.205 0.506 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.613 2.148 1.492 1.00 0.00 H new ATOM 1406 N TYR A 89 5.220 -0.118 6.757 1.00 0.00 N ATOM 1407 CA TYR A 89 4.889 -0.953 7.898 1.00 0.00 C ATOM 1408 C TYR A 89 5.865 -2.125 8.022 1.00 0.00 C ATOM 1409 O TYR A 89 6.565 -2.458 7.067 1.00 0.00 O ATOM 1410 CB TYR A 89 3.486 -1.500 7.628 1.00 0.00 C ATOM 1411 CG TYR A 89 3.259 -1.945 6.183 1.00 0.00 C ATOM 1412 CD1 TYR A 89 4.023 -2.962 5.646 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.291 -1.331 5.415 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.810 -3.382 4.285 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.078 -1.751 4.054 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.848 -2.755 3.556 1.00 0.00 C ATOM 1417 OH TYR A 89 2.646 -3.152 2.271 1.00 0.00 O ATOM 0 H TYR A 89 6.102 -0.350 6.300 1.00 0.00 H new ATOM 0 HA TYR A 89 4.943 -0.378 8.822 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.303 -2.346 8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.754 -0.733 7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.781 -3.443 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.693 -0.535 5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.401 -4.176 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.323 -1.279 3.442 1.00 0.00 H new ATOM 0 HH TYR A 89 1.928 -2.617 1.872 1.00 0.00 H new ATOM 1427 N PRO A 90 5.880 -2.735 9.237 1.00 0.00 N ATOM 1428 CA PRO A 90 6.759 -3.863 9.498 1.00 0.00 C ATOM 1429 C PRO A 90 6.232 -5.134 8.829 1.00 0.00 C ATOM 1430 O PRO A 90 7.003 -5.906 8.262 1.00 0.00 O ATOM 1431 CB PRO A 90 6.821 -3.971 11.013 1.00 0.00 C ATOM 1432 CG PRO A 90 5.618 -3.203 11.535 1.00 0.00 C ATOM 1433 CD PRO A 90 5.065 -2.368 10.392 1.00 0.00 C ATOM 0 HA PRO A 90 7.757 -3.725 9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.788 -5.013 11.332 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.750 -3.550 11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.859 -3.891 11.907 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.906 -2.564 12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.011 -2.584 10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.141 -1.302 10.607 1.00 0.00 H new ATOM 1441 N GLY A 91 4.922 -5.311 8.917 1.00 0.00 N ATOM 1442 CA GLY A 91 4.283 -6.475 8.326 1.00 0.00 C ATOM 1443 C GLY A 91 4.881 -7.769 8.883 1.00 0.00 C ATOM 1444 O GLY A 91 6.022 -8.112 8.577 1.00 0.00 O ATOM 0 H GLY A 91 4.286 -4.668 9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.212 -6.448 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.404 -6.451 7.243 1.00 0.00 H new ATOM 1448 N GLN A 92 4.083 -8.453 9.690 1.00 0.00 N ATOM 1449 CA GLN A 92 4.518 -9.701 10.292 1.00 0.00 C ATOM 1450 C GLN A 92 4.229 -10.873 9.352 1.00 0.00 C ATOM 1451 O GLN A 92 4.372 -10.748 8.136 1.00 0.00 O ATOM 1452 CB GLN A 92 3.854 -9.915 11.654 1.00 0.00 C ATOM 1453 CG GLN A 92 4.748 -10.747 12.576 1.00 0.00 C ATOM 1454 CD GLN A 92 3.921 -11.442 13.659 1.00 0.00 C ATOM 1455 OE1 GLN A 92 2.864 -10.984 14.060 1.00 0.00 O ATOM 1456 NE2 GLN A 92 4.461 -12.571 14.110 1.00 0.00 N ATOM 0 H GLN A 92 3.137 -8.166 9.941 1.00 0.00 H new ATOM 0 HA GLN A 92 5.595 -9.647 10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.646 -8.950 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.896 -10.417 11.520 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.287 -11.492 11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.496 -10.104 13.041 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.349 -12.898 13.731 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.987 -13.109 14.835 1.00 0.00 H new ATOM 1465 N THR A 93 3.828 -11.985 9.949 1.00 0.00 N ATOM 1466 CA THR A 93 3.518 -13.178 9.180 1.00 0.00 C ATOM 1467 C THR A 93 2.382 -12.897 8.195 1.00 0.00 C ATOM 1468 O THR A 93 1.604 -11.964 8.389 1.00 0.00 O ATOM 1469 CB THR A 93 3.205 -14.307 10.164 1.00 0.00 C ATOM 1470 OG1 THR A 93 1.972 -13.914 10.762 1.00 0.00 O ATOM 1471 CG2 THR A 93 4.188 -14.353 11.335 1.00 0.00 C ATOM 0 H THR A 93 3.710 -12.085 10.957 1.00 0.00 H new ATOM 0 HA THR A 93 4.366 -13.487 8.569 1.00 0.00 H new ATOM 0 HB THR A 93 3.222 -15.262 9.638 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.694 -14.591 11.413 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.920 -15.172 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.198 -14.509 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.147 -13.411 11.882 1.00 0.00 H new ATOM 1479 N GLN A 94 2.321 -13.722 7.160 1.00 0.00 N ATOM 1480 CA GLN A 94 1.293 -13.575 6.145 1.00 0.00 C ATOM 1481 C GLN A 94 0.087 -12.825 6.716 1.00 0.00 C ATOM 1482 O GLN A 94 -0.342 -13.094 7.837 1.00 0.00 O ATOM 1483 CB GLN A 94 0.877 -14.936 5.583 1.00 0.00 C ATOM 1484 CG GLN A 94 0.535 -14.834 4.095 1.00 0.00 C ATOM 1485 CD GLN A 94 -0.616 -15.775 3.731 1.00 0.00 C ATOM 1486 OE1 GLN A 94 -1.605 -15.888 4.436 1.00 0.00 O ATOM 1487 NE2 GLN A 94 -0.431 -16.440 2.595 1.00 0.00 N ATOM 0 H GLN A 94 2.968 -14.495 7.003 1.00 0.00 H new ATOM 0 HA GLN A 94 1.704 -12.990 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.684 -15.654 5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.014 -15.312 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.261 -13.808 3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.413 -15.080 3.499 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.422 -16.297 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.142 -17.093 2.265 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.426 -11.900 5.918 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.574 -11.110 6.330 1.00 0.00 C ATOM 1498 C PHE A 95 -2.492 -10.816 5.142 1.00 0.00 C ATOM 1499 O PHE A 95 -2.236 -11.270 4.027 1.00 0.00 O ATOM 1500 CB PHE A 95 -1.034 -9.789 6.880 1.00 0.00 C ATOM 1501 CG PHE A 95 -1.018 -9.711 8.408 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -2.188 -9.715 9.101 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.166 -9.639 9.073 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -2.173 -9.643 10.519 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.181 -9.567 10.491 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.989 -9.570 11.184 1.00 0.00 C ATOM 0 H PHE A 95 -0.068 -11.680 4.989 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.152 -11.655 7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.020 -9.640 6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.640 -8.971 6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.128 -9.773 8.573 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.095 -9.637 8.522 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.102 -9.646 11.070 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.121 -9.510 11.019 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.978 -9.514 12.263 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.543 -10.059 5.420 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.501 -9.699 4.388 1.00 0.00 C ATOM 1518 C TYR A 96 -3.887 -8.717 3.389 1.00 0.00 C ATOM 1519 O TYR A 96 -3.098 -7.853 3.767 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.662 -9.014 5.111 1.00 0.00 C ATOM 1521 CG TYR A 96 -7.002 -9.738 4.963 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -7.170 -10.996 5.506 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -8.042 -9.134 4.285 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.431 -11.677 5.366 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.303 -9.816 4.146 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.435 -11.054 4.693 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.626 -11.697 4.561 1.00 0.00 O ATOM 0 H TYR A 96 -3.753 -9.685 6.345 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.817 -10.582 3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.420 -8.933 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.766 -7.998 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.356 -11.469 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.910 -8.150 3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.576 -12.661 5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.125 -9.355 3.619 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.249 -11.132 4.059 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.272 -8.883 2.132 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.770 -8.021 1.075 1.00 0.00 C ATOM 1539 C VAL A 97 -4.936 -7.569 0.194 1.00 0.00 C ATOM 1540 O VAL A 97 -5.773 -8.380 -0.198 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.672 -8.742 0.290 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.291 -7.958 -0.967 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.446 -8.998 1.170 1.00 0.00 C ATOM 0 H VAL A 97 -4.926 -9.602 1.822 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.315 -7.125 1.497 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.066 -9.708 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.509 -8.493 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.166 -7.851 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.926 -6.971 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.681 -9.511 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.051 -8.048 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.731 -9.617 2.020 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.952 -6.275 -0.091 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.002 -5.705 -0.918 1.00 0.00 C ATOM 1555 C ILE A 98 -5.371 -4.997 -2.119 1.00 0.00 C ATOM 1556 O ILE A 98 -4.603 -4.050 -1.953 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.913 -4.804 -0.082 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.032 -5.323 1.352 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.281 -4.639 -0.747 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.558 -6.760 1.373 1.00 0.00 C ATOM 0 H ILE A 98 -4.255 -5.606 0.236 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.645 -6.491 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.459 -3.814 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.058 -5.281 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.702 -4.678 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.909 -3.994 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.155 -4.190 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.755 -5.615 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.633 -7.105 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.542 -6.794 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.873 -7.406 0.823 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.718 -5.482 -3.302 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.196 -4.908 -4.529 1.00 0.00 C ATOM 1574 C GLU A 99 -6.185 -3.892 -5.104 1.00 0.00 C ATOM 1575 O GLU A 99 -7.395 -4.112 -5.071 1.00 0.00 O ATOM 1576 CB GLU A 99 -4.875 -5.999 -5.553 1.00 0.00 C ATOM 1577 CG GLU A 99 -3.703 -5.587 -6.445 1.00 0.00 C ATOM 1578 CD GLU A 99 -3.187 -6.777 -7.257 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.482 -7.932 -6.919 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -2.455 -6.467 -8.273 1.00 0.00 O ATOM 0 H GLU A 99 -6.355 -6.267 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.266 -4.389 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.634 -6.928 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.753 -6.195 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.017 -4.791 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.898 -5.185 -5.831 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.634 -2.801 -5.616 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.453 -1.751 -6.196 1.00 0.00 C ATOM 1590 C PHE A 100 -5.714 -1.045 -7.335 1.00 0.00 C ATOM 1591 O PHE A 100 -4.520 -1.264 -7.535 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.737 -0.739 -5.085 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.491 -0.295 -4.315 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.500 0.381 -4.956 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.375 -0.576 -2.989 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.344 0.793 -4.241 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.219 -0.165 -2.275 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.228 0.512 -2.916 1.00 0.00 C ATOM 0 H PHE A 100 -4.630 -2.622 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.370 -2.177 -6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.215 0.139 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.449 -1.175 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.592 0.604 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.162 -1.112 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.557 1.330 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.126 -0.390 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.349 0.826 -2.372 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.455 -0.214 -8.053 1.00 0.00 N ATOM 1609 CA LYS A 101 -5.885 0.525 -9.167 1.00 0.00 C ATOM 1610 C LYS A 101 -6.161 2.018 -8.978 1.00 0.00 C ATOM 1611 O LYS A 101 -7.015 2.399 -8.179 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.398 -0.031 -10.497 1.00 0.00 C ATOM 1613 CG LYS A 101 -6.399 -1.561 -10.488 1.00 0.00 C ATOM 1614 CD LYS A 101 -6.953 -2.117 -11.801 1.00 0.00 C ATOM 1615 CE LYS A 101 -7.023 -3.645 -11.763 1.00 0.00 C ATOM 1616 NZ LYS A 101 -7.951 -4.147 -12.802 1.00 0.00 N ATOM 0 H LYS A 101 -7.445 -0.036 -7.885 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.802 0.401 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.407 0.336 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.772 0.331 -11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.384 -1.928 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.000 -1.923 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.947 -1.708 -11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.321 -1.799 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.029 -4.065 -11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.356 -3.975 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.987 -5.186 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.902 -3.761 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.617 -3.847 -13.740 1.00 0.00 H new ATOM 1629 N CYS A 102 -5.421 2.823 -9.726 1.00 0.00 N ATOM 1630 CA CYS A 102 -5.575 4.266 -9.651 1.00 0.00 C ATOM 1631 C CYS A 102 -6.593 4.696 -10.708 1.00 0.00 C ATOM 1632 O CYS A 102 -6.283 4.728 -11.898 1.00 0.00 O ATOM 1633 CB CYS A 102 -4.236 4.987 -9.821 1.00 0.00 C ATOM 1634 SG CYS A 102 -4.511 6.791 -9.968 1.00 0.00 S ATOM 0 H CYS A 102 -4.713 2.503 -10.387 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.940 4.545 -8.662 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.590 4.778 -8.968 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.723 4.615 -10.708 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.472 7.345 -10.520 1.00 0.00 H new ATOM 1640 N LEU A 103 -7.789 5.017 -10.236 1.00 0.00 N ATOM 1641 CA LEU A 103 -8.855 5.444 -11.125 1.00 0.00 C ATOM 1642 C LEU A 103 -8.276 6.357 -12.208 1.00 0.00 C ATOM 1643 O LEU A 103 -8.741 6.349 -13.346 1.00 0.00 O ATOM 1644 CB LEU A 103 -9.995 6.082 -10.329 1.00 0.00 C ATOM 1645 CG LEU A 103 -9.586 7.140 -9.302 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -9.301 8.481 -9.981 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -10.636 7.268 -8.198 1.00 0.00 C ATOM 0 H LEU A 103 -8.043 4.990 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.293 4.585 -11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.692 6.537 -11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.537 5.291 -9.810 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.660 6.816 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.012 9.216 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.491 8.360 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.197 8.824 -10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.320 8.027 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.591 7.558 -8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.746 6.311 -7.688 1.00 0.00 H new TER 1659 LEU A 103