USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 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 35 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 13:sc= -2.34! 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= -5.89! C(o=-5.9!,f=-7.1!) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.31! C(o=-6!,f=-1.3!) USER MOD Single : A 7 THR OG1 : rot 136:sc= 0.0884 USER MOD Single : A 10 GLN : amide:sc= -7.88! C(o=-7.9!,f=-12!) USER MOD Single : A 13 GLN : amide:sc= -1.58! C(o=-1.6!,f=-8.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 84:sc= 0.969 USER MOD Single : A 24 THR OG1 : rot -98:sc= 0.972 USER MOD Single : A 29 SER OG : rot -84:sc= 0.0312 USER MOD Single : A 31 SER OG : rot -46:sc= 1.06 USER MOD Single : A 32 HIS : no HE2:sc= -9.98! C(o=-10!,f=-16!) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0333 (180deg=-0.286) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -23:sc= -0.349! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 65 THR OG1 : rot 97:sc= -4.88! USER MOD Single : A 67 THR OG1 : rot -147:sc= -3.6! USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= -1.21 (180deg=-3.38!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.87 K(o=-0.87,f=-2.9!) USER MOD Single : A 75 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.624! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 50:sc= -1.61 USER MOD Single : A 92 GLN : amide:sc= -2.22! C(o=-2.2!,f=-4.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.458 12.272 13.185 1.00 0.00 N ATOM 2 CA MET A 1 -12.696 13.318 12.206 1.00 0.00 C ATOM 3 C MET A 1 -12.272 12.867 10.807 1.00 0.00 C ATOM 4 O MET A 1 -11.112 13.019 10.426 1.00 0.00 O ATOM 5 CB MET A 1 -11.911 14.572 12.597 1.00 0.00 C ATOM 6 CG MET A 1 -12.699 15.423 13.595 1.00 0.00 C ATOM 7 SD MET A 1 -11.754 16.868 14.046 1.00 0.00 S ATOM 8 CE MET A 1 -12.775 17.509 15.363 1.00 0.00 C ATOM 0 H1 MET A 1 -12.754 12.603 14.125 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.004 11.425 12.928 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.445 12.038 13.203 1.00 0.00 H new ATOM 0 HA MET A 1 -13.764 13.537 12.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.954 14.285 13.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.691 15.160 11.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.651 15.723 13.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.928 14.836 14.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.326 18.419 15.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.769 17.733 14.976 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.854 16.766 16.157 1.00 0.00 H new ATOM 18 N GLN A 2 -13.235 12.320 10.079 1.00 0.00 N ATOM 19 CA GLN A 2 -12.976 11.846 8.730 1.00 0.00 C ATOM 20 C GLN A 2 -11.563 11.268 8.633 1.00 0.00 C ATOM 21 O GLN A 2 -10.663 11.908 8.090 1.00 0.00 O ATOM 22 CB GLN A 2 -13.184 12.963 7.706 1.00 0.00 C ATOM 23 CG GLN A 2 -12.697 14.306 8.255 1.00 0.00 C ATOM 24 CD GLN A 2 -13.664 14.851 9.308 1.00 0.00 C ATOM 25 OE1 GLN A 2 -14.774 14.373 9.475 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.182 15.876 10.006 1.00 0.00 N ATOM 0 H GLN A 2 -14.196 12.195 10.398 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.688 11.053 8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.647 12.725 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.241 13.033 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.706 14.186 8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.600 15.023 7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.244 16.227 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.751 16.311 10.732 1.00 0.00 H new ATOM 35 N PRO A 3 -11.407 10.034 9.182 1.00 0.00 N ATOM 36 CA PRO A 3 -10.118 9.363 9.162 1.00 0.00 C ATOM 37 C PRO A 3 -9.804 8.820 7.767 1.00 0.00 C ATOM 38 O PRO A 3 -10.609 8.958 6.847 1.00 0.00 O ATOM 39 CB PRO A 3 -10.227 8.271 10.214 1.00 0.00 C ATOM 40 CG PRO A 3 -11.714 8.070 10.454 1.00 0.00 C ATOM 41 CD PRO A 3 -12.450 9.247 9.834 1.00 0.00 C ATOM 0 HA PRO A 3 -9.290 10.035 9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.759 7.349 9.870 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.719 8.562 11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.049 7.133 10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.923 8.009 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.200 8.912 9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.972 9.831 10.592 1.00 0.00 H new ATOM 49 N ASN A 4 -8.631 8.215 7.652 1.00 0.00 N ATOM 50 CA ASN A 4 -8.200 7.651 6.385 1.00 0.00 C ATOM 51 C ASN A 4 -8.524 6.155 6.361 1.00 0.00 C ATOM 52 O ASN A 4 -8.725 5.543 7.408 1.00 0.00 O ATOM 53 CB ASN A 4 -6.691 7.811 6.195 1.00 0.00 C ATOM 54 CG ASN A 4 -6.135 6.723 5.273 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.689 5.647 5.914 1.00 0.00 O flip ATOM 56 ND2 ASN A 4 -6.114 6.853 4.060 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.965 8.103 8.417 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.721 8.179 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.476 8.793 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.192 7.762 7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.473 7.707 3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.737 6.108 3.474 1.00 0.00 H new ATOM 63 N ASP A 5 -8.564 5.610 5.154 1.00 0.00 N ATOM 64 CA ASP A 5 -8.859 4.198 4.979 1.00 0.00 C ATOM 65 C ASP A 5 -7.549 3.413 4.901 1.00 0.00 C ATOM 66 O ASP A 5 -7.336 2.475 5.667 1.00 0.00 O ATOM 67 CB ASP A 5 -9.635 3.954 3.684 1.00 0.00 C ATOM 68 CG ASP A 5 -10.835 4.877 3.464 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.115 5.766 4.282 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.506 4.652 2.386 1.00 0.00 O ATOM 0 H ASP A 5 -8.397 6.121 4.287 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.461 3.872 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.951 4.065 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.984 2.921 3.677 1.00 0.00 H new ATOM 76 N ILE A 6 -6.703 3.826 3.968 1.00 0.00 N ATOM 77 CA ILE A 6 -5.419 3.173 3.780 1.00 0.00 C ATOM 78 C ILE A 6 -4.381 4.213 3.352 1.00 0.00 C ATOM 79 O ILE A 6 -4.689 5.122 2.583 1.00 0.00 O ATOM 80 CB ILE A 6 -5.552 2.000 2.807 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.217 1.270 2.643 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.121 2.463 1.465 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.406 -0.060 1.910 1.00 0.00 C ATOM 0 H ILE A 6 -6.882 4.605 3.334 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.070 2.741 4.718 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.260 1.286 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.520 1.899 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.774 1.090 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.205 1.610 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.107 2.902 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.457 3.208 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.442 -0.559 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.084 -0.696 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.826 0.126 0.922 1.00 0.00 H new ATOM 95 N THR A 7 -3.173 4.043 3.869 1.00 0.00 N ATOM 96 CA THR A 7 -2.088 4.956 3.549 1.00 0.00 C ATOM 97 C THR A 7 -1.066 4.271 2.640 1.00 0.00 C ATOM 98 O THR A 7 -1.088 3.051 2.482 1.00 0.00 O ATOM 99 CB THR A 7 -1.490 5.459 4.865 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.600 4.343 5.745 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.350 6.539 5.524 1.00 0.00 C ATOM 0 H THR A 7 -2.921 3.288 4.507 1.00 0.00 H new ATOM 0 HA THR A 7 -2.449 5.818 2.988 1.00 0.00 H new ATOM 0 HB THR A 7 -0.490 5.853 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.767 4.242 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.881 6.861 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.443 7.391 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.340 6.136 5.738 1.00 0.00 H new ATOM 109 N PHE A 8 -0.193 5.086 2.065 1.00 0.00 N ATOM 110 CA PHE A 8 0.835 4.574 1.175 1.00 0.00 C ATOM 111 C PHE A 8 2.015 5.544 1.085 1.00 0.00 C ATOM 112 O PHE A 8 1.837 6.713 0.748 1.00 0.00 O ATOM 113 CB PHE A 8 0.200 4.433 -0.209 1.00 0.00 C ATOM 114 CG PHE A 8 -1.128 3.672 -0.210 1.00 0.00 C ATOM 115 CD1 PHE A 8 -1.147 2.339 0.058 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.288 4.329 -0.479 1.00 0.00 C ATOM 117 CE1 PHE A 8 -2.379 1.632 0.057 1.00 0.00 C ATOM 118 CE2 PHE A 8 -3.520 3.622 -0.480 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.540 2.289 -0.212 1.00 0.00 C ATOM 0 H PHE A 8 -0.177 6.097 2.198 1.00 0.00 H new ATOM 0 HA PHE A 8 1.210 3.621 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.038 5.427 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.901 3.921 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.225 1.818 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.272 5.388 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.394 0.573 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.441 4.143 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.477 1.752 -0.213 1.00 0.00 H new ATOM 129 N PHE A 9 3.193 5.022 1.393 1.00 0.00 N ATOM 130 CA PHE A 9 4.402 5.828 1.352 1.00 0.00 C ATOM 131 C PHE A 9 4.380 6.788 0.161 1.00 0.00 C ATOM 132 O PHE A 9 3.657 6.564 -0.809 1.00 0.00 O ATOM 133 CB PHE A 9 5.578 4.862 1.190 1.00 0.00 C ATOM 134 CG PHE A 9 6.950 5.522 1.337 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.122 6.545 2.216 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.998 5.086 0.587 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.396 7.158 2.352 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.272 5.699 0.723 1.00 0.00 C ATOM 139 CZ PHE A 9 9.444 6.722 1.603 1.00 0.00 C ATOM 0 H PHE A 9 3.336 4.051 1.672 1.00 0.00 H new ATOM 0 HA PHE A 9 4.485 6.422 2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.487 4.068 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.516 4.391 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.290 6.891 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.861 4.274 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.532 7.970 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.104 5.353 0.128 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.413 7.188 1.707 1.00 0.00 H new ATOM 149 N GLN A 10 5.180 7.838 0.274 1.00 0.00 N ATOM 150 CA GLN A 10 5.262 8.834 -0.781 1.00 0.00 C ATOM 151 C GLN A 10 5.519 8.159 -2.130 1.00 0.00 C ATOM 152 O GLN A 10 4.795 8.396 -3.095 1.00 0.00 O ATOM 153 CB GLN A 10 6.342 9.872 -0.473 1.00 0.00 C ATOM 154 CG GLN A 10 7.677 9.196 -0.154 1.00 0.00 C ATOM 155 CD GLN A 10 8.569 9.129 -1.396 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.118 9.261 -2.522 1.00 0.00 O ATOM 157 NE2 GLN A 10 9.854 8.917 -1.129 1.00 0.00 N ATOM 0 H GLN A 10 5.777 8.021 1.080 1.00 0.00 H new ATOM 0 HA GLN A 10 4.307 9.357 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.463 10.540 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.030 10.487 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.188 9.747 0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.498 8.189 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.164 8.816 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.530 8.856 -1.891 1.00 0.00 H new ATOM 166 N ARG A 11 6.553 7.331 -2.153 1.00 0.00 N ATOM 167 CA ARG A 11 6.915 6.619 -3.367 1.00 0.00 C ATOM 168 C ARG A 11 5.719 5.822 -3.892 1.00 0.00 C ATOM 169 O ARG A 11 5.403 5.879 -5.079 1.00 0.00 O ATOM 170 CB ARG A 11 8.086 5.666 -3.119 1.00 0.00 C ATOM 171 CG ARG A 11 9.288 6.414 -2.538 1.00 0.00 C ATOM 172 CD ARG A 11 10.592 5.669 -2.834 1.00 0.00 C ATOM 173 NE ARG A 11 11.549 6.574 -3.509 1.00 0.00 N ATOM 174 CZ ARG A 11 11.586 6.777 -4.843 1.00 0.00 C ATOM 175 NH1 ARG A 11 10.717 6.140 -5.658 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.483 7.608 -5.340 1.00 0.00 N ATOM 0 H ARG A 11 7.152 7.137 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 11 7.216 7.360 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.778 4.877 -2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.371 5.183 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.335 7.418 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.165 6.526 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.025 5.294 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.391 4.803 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 11 12.223 7.076 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.026 5.500 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.752 6.299 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.135 8.086 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.524 7.772 -6.346 1.00 0.00 H new ATOM 189 N PHE A 12 5.087 5.096 -2.981 1.00 0.00 N ATOM 190 CA PHE A 12 3.933 4.288 -3.336 1.00 0.00 C ATOM 191 C PHE A 12 2.789 5.163 -3.851 1.00 0.00 C ATOM 192 O PHE A 12 2.056 4.765 -4.755 1.00 0.00 O ATOM 193 CB PHE A 12 3.479 3.572 -2.063 1.00 0.00 C ATOM 194 CG PHE A 12 2.882 2.184 -2.309 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.873 2.028 -3.207 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.361 1.108 -1.629 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.319 0.740 -3.434 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.807 -0.179 -1.857 1.00 0.00 C ATOM 199 CZ PHE A 12 1.798 -0.336 -2.755 1.00 0.00 C ATOM 0 H PHE A 12 5.353 5.051 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 12 4.200 3.584 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.330 3.476 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.739 4.190 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.493 2.883 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.162 1.233 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.517 0.615 -4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.187 -1.034 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.377 -1.315 -2.929 1.00 0.00 H new ATOM 209 N GLN A 13 2.671 6.339 -3.252 1.00 0.00 N ATOM 210 CA GLN A 13 1.627 7.274 -3.639 1.00 0.00 C ATOM 211 C GLN A 13 1.830 7.728 -5.086 1.00 0.00 C ATOM 212 O GLN A 13 0.889 7.729 -5.877 1.00 0.00 O ATOM 213 CB GLN A 13 1.586 8.473 -2.689 1.00 0.00 C ATOM 214 CG GLN A 13 0.302 8.470 -1.857 1.00 0.00 C ATOM 215 CD GLN A 13 -0.619 9.620 -2.267 1.00 0.00 C ATOM 216 OE1 GLN A 13 -1.795 9.442 -2.538 1.00 0.00 O ATOM 217 NE2 GLN A 13 -0.021 10.808 -2.297 1.00 0.00 N ATOM 0 H GLN A 13 3.280 6.666 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 13 0.666 6.764 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.452 8.447 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.650 9.398 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.217 7.520 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.550 8.557 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.968 10.888 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.551 11.639 -2.558 1.00 0.00 H new ATOM 226 N ASP A 14 3.065 8.101 -5.388 1.00 0.00 N ATOM 227 CA ASP A 14 3.404 8.556 -6.726 1.00 0.00 C ATOM 228 C ASP A 14 3.092 7.445 -7.731 1.00 0.00 C ATOM 229 O ASP A 14 2.485 7.697 -8.771 1.00 0.00 O ATOM 230 CB ASP A 14 4.893 8.887 -6.834 1.00 0.00 C ATOM 231 CG ASP A 14 5.402 9.119 -8.258 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.750 8.169 -8.975 1.00 0.00 O ATOM 233 OD2 ASP A 14 5.434 10.353 -8.632 1.00 0.00 O ATOM 0 H ASP A 14 3.843 8.097 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 14 2.820 9.452 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.095 9.780 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.464 8.073 -6.388 1.00 0.00 H new ATOM 239 N ASP A 15 3.522 6.240 -7.385 1.00 0.00 N ATOM 240 CA ASP A 15 3.296 5.090 -8.245 1.00 0.00 C ATOM 241 C ASP A 15 1.797 4.943 -8.509 1.00 0.00 C ATOM 242 O ASP A 15 1.386 4.658 -9.633 1.00 0.00 O ATOM 243 CB ASP A 15 3.788 3.802 -7.581 1.00 0.00 C ATOM 244 CG ASP A 15 4.738 2.958 -8.433 1.00 0.00 C ATOM 245 OD1 ASP A 15 5.859 3.382 -8.752 1.00 0.00 O ATOM 246 OD2 ASP A 15 4.279 1.803 -8.778 1.00 0.00 O ATOM 0 H ASP A 15 4.025 6.035 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 15 3.844 5.250 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.292 4.061 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.923 3.194 -7.317 1.00 0.00 H new ATOM 252 N ILE A 16 1.020 5.144 -7.455 1.00 0.00 N ATOM 253 CA ILE A 16 -0.426 5.038 -7.559 1.00 0.00 C ATOM 254 C ILE A 16 -0.948 6.133 -8.491 1.00 0.00 C ATOM 255 O ILE A 16 -1.802 5.877 -9.338 1.00 0.00 O ATOM 256 CB ILE A 16 -1.066 5.056 -6.170 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.732 3.779 -5.395 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.575 5.291 -6.264 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.872 4.000 -3.888 1.00 0.00 C ATOM 0 H ILE A 16 1.364 5.380 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.707 4.082 -8.001 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.644 5.891 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.395 2.974 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.285 3.464 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.005 5.299 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.765 6.249 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.032 4.492 -6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.629 3.077 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.190 4.789 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.897 4.291 -3.657 1.00 0.00 H new ATOM 271 N LEU A 17 -0.412 7.330 -8.304 1.00 0.00 N ATOM 272 CA LEU A 17 -0.813 8.465 -9.117 1.00 0.00 C ATOM 273 C LEU A 17 -0.554 8.147 -10.591 1.00 0.00 C ATOM 274 O LEU A 17 -1.205 8.705 -11.474 1.00 0.00 O ATOM 275 CB LEU A 17 -0.123 9.742 -8.633 1.00 0.00 C ATOM 276 CG LEU A 17 0.832 10.406 -9.627 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.066 11.274 -10.627 1.00 0.00 C ATOM 278 CD2 LEU A 17 1.919 11.198 -8.897 1.00 0.00 C ATOM 0 H LEU A 17 0.297 7.538 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.882 8.649 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.891 10.465 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.433 9.509 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 17 1.331 9.622 -10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.768 11.734 -11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.639 10.655 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.477 12.053 -10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.584 11.660 -9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.456 11.973 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.492 10.526 -8.258 1.00 0.00 H new ATOM 290 N ALA A 18 0.398 7.253 -10.813 1.00 0.00 N ATOM 291 CA ALA A 18 0.751 6.854 -12.165 1.00 0.00 C ATOM 292 C ALA A 18 -0.312 5.893 -12.702 1.00 0.00 C ATOM 293 O ALA A 18 -0.224 5.441 -13.842 1.00 0.00 O ATOM 294 CB ALA A 18 2.150 6.236 -12.166 1.00 0.00 C ATOM 0 H ALA A 18 0.936 6.793 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 18 0.777 7.720 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.415 5.937 -13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.872 6.968 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.162 5.362 -11.515 1.00 0.00 H new ATOM 300 N GLY A 19 -1.291 5.610 -11.855 1.00 0.00 N ATOM 301 CA GLY A 19 -2.369 4.711 -12.231 1.00 0.00 C ATOM 302 C GLY A 19 -1.827 3.327 -12.592 1.00 0.00 C ATOM 303 O GLY A 19 -1.906 2.907 -13.746 1.00 0.00 O ATOM 0 H GLY A 19 -1.360 5.987 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.079 4.624 -11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.914 5.125 -13.080 1.00 0.00 H new ATOM 307 N ARG A 20 -1.290 2.655 -11.584 1.00 0.00 N ATOM 308 CA ARG A 20 -0.735 1.327 -11.781 1.00 0.00 C ATOM 309 C ARG A 20 -1.279 0.363 -10.725 1.00 0.00 C ATOM 310 O ARG A 20 -0.757 0.296 -9.613 1.00 0.00 O ATOM 311 CB ARG A 20 0.793 1.350 -11.702 1.00 0.00 C ATOM 312 CG ARG A 20 1.417 0.961 -13.043 1.00 0.00 C ATOM 313 CD ARG A 20 1.307 2.106 -14.052 1.00 0.00 C ATOM 314 NE ARG A 20 1.120 1.563 -15.416 1.00 0.00 N ATOM 315 CZ ARG A 20 1.288 2.282 -16.546 1.00 0.00 C ATOM 316 NH1 ARG A 20 1.649 3.581 -16.485 1.00 0.00 N ATOM 317 NH2 ARG A 20 1.094 1.694 -17.713 1.00 0.00 N ATOM 0 H ARG A 20 -1.228 3.006 -10.628 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.030 0.989 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.131 2.346 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.131 0.663 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.465 0.699 -12.898 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.918 0.075 -13.437 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.469 2.752 -13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.207 2.721 -14.017 1.00 0.00 H new ATOM 0 HE ARG A 20 0.847 0.584 -15.508 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.797 4.027 -15.580 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.774 4.117 -17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.822 0.712 -17.750 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.217 2.222 -18.577 1.00 0.00 H new ATOM 330 N LYS A 21 -2.321 -0.359 -11.109 1.00 0.00 N ATOM 331 CA LYS A 21 -2.941 -1.316 -10.209 1.00 0.00 C ATOM 332 C LYS A 21 -1.861 -1.975 -9.348 1.00 0.00 C ATOM 333 O LYS A 21 -1.122 -2.835 -9.825 1.00 0.00 O ATOM 334 CB LYS A 21 -3.796 -2.314 -10.994 1.00 0.00 C ATOM 335 CG LYS A 21 -4.327 -3.419 -10.079 1.00 0.00 C ATOM 336 CD LYS A 21 -4.502 -4.731 -10.847 1.00 0.00 C ATOM 337 CE LYS A 21 -5.914 -4.842 -11.426 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.891 -4.640 -12.892 1.00 0.00 N ATOM 0 H LYS A 21 -2.752 -0.300 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.626 -0.810 -9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.631 -1.793 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.203 -2.754 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.639 -3.569 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.282 -3.114 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.769 -4.786 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.310 -5.574 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.332 -5.822 -11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.563 -4.100 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.857 -4.719 -13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.512 -3.696 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.288 -5.364 -13.333 1.00 0.00 H new ATOM 351 N THR A 22 -1.804 -1.546 -8.096 1.00 0.00 N ATOM 352 CA THR A 22 -0.827 -2.083 -7.165 1.00 0.00 C ATOM 353 C THR A 22 -1.528 -2.812 -6.017 1.00 0.00 C ATOM 354 O THR A 22 -2.672 -2.502 -5.687 1.00 0.00 O ATOM 355 CB THR A 22 0.065 -0.931 -6.698 1.00 0.00 C ATOM 356 OG1 THR A 22 0.704 -0.482 -7.890 1.00 0.00 O ATOM 357 CG2 THR A 22 1.219 -1.405 -5.812 1.00 0.00 C ATOM 0 H THR A 22 -2.419 -0.832 -7.705 1.00 0.00 H new ATOM 0 HA THR A 22 -0.194 -2.830 -7.644 1.00 0.00 H new ATOM 0 HB THR A 22 -0.537 -0.205 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.116 0.145 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.820 -0.548 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.819 -1.899 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.841 -2.106 -6.369 1.00 0.00 H new ATOM 365 N ILE A 23 -0.813 -3.766 -5.440 1.00 0.00 N ATOM 366 CA ILE A 23 -1.352 -4.542 -4.336 1.00 0.00 C ATOM 367 C ILE A 23 -0.890 -3.927 -3.013 1.00 0.00 C ATOM 368 O ILE A 23 0.083 -3.176 -2.980 1.00 0.00 O ATOM 369 CB ILE A 23 -0.985 -6.019 -4.489 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.530 -6.326 -5.917 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.142 -6.920 -4.050 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.980 -6.134 -6.065 1.00 0.00 C ATOM 0 H ILE A 23 0.136 -4.020 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.441 -4.507 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.143 -6.232 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.797 -7.351 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.053 -5.675 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.855 -7.965 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.378 -6.725 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.018 -6.712 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.277 -6.359 -7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.240 -5.102 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.501 -6.804 -5.381 1.00 0.00 H new ATOM 384 N THR A 24 -1.611 -4.270 -1.955 1.00 0.00 N ATOM 385 CA THR A 24 -1.287 -3.761 -0.633 1.00 0.00 C ATOM 386 C THR A 24 -1.527 -4.838 0.427 1.00 0.00 C ATOM 387 O THR A 24 -2.041 -5.913 0.119 1.00 0.00 O ATOM 388 CB THR A 24 -2.105 -2.489 -0.402 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.443 -2.958 -0.257 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.157 -1.593 -1.641 1.00 0.00 C ATOM 0 H THR A 24 -2.418 -4.894 -1.987 1.00 0.00 H new ATOM 0 HA THR A 24 -0.231 -3.504 -0.557 1.00 0.00 H new ATOM 0 HB THR A 24 -1.680 -1.931 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.917 -2.862 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.750 -0.705 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.146 -1.296 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.613 -2.140 -2.466 1.00 0.00 H new ATOM 398 N ILE A 25 -1.143 -4.514 1.652 1.00 0.00 N ATOM 399 CA ILE A 25 -1.310 -5.440 2.759 1.00 0.00 C ATOM 400 C ILE A 25 -1.904 -4.696 3.957 1.00 0.00 C ATOM 401 O ILE A 25 -1.546 -3.549 4.219 1.00 0.00 O ATOM 402 CB ILE A 25 0.010 -6.149 3.069 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.603 -6.779 1.807 1.00 0.00 C ATOM 404 CG2 ILE A 25 -0.167 -7.172 4.192 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.521 -5.793 1.081 1.00 0.00 C ATOM 0 H ILE A 25 -0.716 -3.622 1.903 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.014 -6.228 2.492 1.00 0.00 H new ATOM 0 HB ILE A 25 0.723 -5.404 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.164 -7.675 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.201 -7.092 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.786 -7.661 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.512 -6.666 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.902 -7.919 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.929 -6.266 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.952 -4.909 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.337 -5.501 1.742 1.00 0.00 H new ATOM 417 N ARG A 26 -2.802 -5.379 4.651 1.00 0.00 N ATOM 418 CA ARG A 26 -3.449 -4.797 5.815 1.00 0.00 C ATOM 419 C ARG A 26 -3.503 -5.814 6.956 1.00 0.00 C ATOM 420 O ARG A 26 -3.177 -6.984 6.766 1.00 0.00 O ATOM 421 CB ARG A 26 -4.870 -4.337 5.482 1.00 0.00 C ATOM 422 CG ARG A 26 -5.170 -4.516 3.993 1.00 0.00 C ATOM 423 CD ARG A 26 -4.444 -3.461 3.156 1.00 0.00 C ATOM 424 NE ARG A 26 -3.814 -2.457 4.044 1.00 0.00 N ATOM 425 CZ ARG A 26 -4.448 -1.365 4.520 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.737 -1.126 4.198 1.00 0.00 N ATOM 427 NH2 ARG A 26 -3.789 -0.534 5.306 1.00 0.00 N ATOM 0 H ARG A 26 -3.097 -6.330 4.430 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.862 -3.932 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.588 -4.907 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.991 -3.289 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.864 -5.512 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.244 -4.443 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.685 -3.937 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.147 -2.972 2.482 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.840 -2.600 4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.239 -1.773 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.209 -0.298 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.815 -0.722 5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.253 0.296 5.674 1.00 0.00 H new ATOM 440 N ASP A 27 -3.919 -5.330 8.118 1.00 0.00 N ATOM 441 CA ASP A 27 -4.020 -6.183 9.290 1.00 0.00 C ATOM 442 C ASP A 27 -5.480 -6.589 9.495 1.00 0.00 C ATOM 443 O ASP A 27 -6.364 -5.735 9.554 1.00 0.00 O ATOM 444 CB ASP A 27 -3.553 -5.447 10.548 1.00 0.00 C ATOM 445 CG ASP A 27 -4.003 -6.075 11.869 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.620 -5.410 12.714 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.691 -7.318 12.016 1.00 0.00 O ATOM 0 H ASP A 27 -4.190 -4.359 8.272 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.389 -7.056 9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.464 -5.398 10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.919 -4.421 10.507 1.00 0.00 H new ATOM 453 N GLU A 28 -5.690 -7.893 9.599 1.00 0.00 N ATOM 454 CA GLU A 28 -7.028 -8.423 9.796 1.00 0.00 C ATOM 455 C GLU A 28 -7.708 -7.723 10.974 1.00 0.00 C ATOM 456 O GLU A 28 -8.882 -7.364 10.894 1.00 0.00 O ATOM 457 CB GLU A 28 -6.992 -9.938 10.006 1.00 0.00 C ATOM 458 CG GLU A 28 -8.275 -10.429 10.680 1.00 0.00 C ATOM 459 CD GLU A 28 -9.501 -10.115 9.820 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.390 -10.036 8.588 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.600 -9.951 10.476 1.00 0.00 O ATOM 0 H GLU A 28 -4.955 -8.599 9.550 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.611 -8.227 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.867 -10.439 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.131 -10.203 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.212 -11.504 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.381 -9.957 11.657 1.00 0.00 H new ATOM 469 N SER A 29 -6.942 -7.548 12.040 1.00 0.00 N ATOM 470 CA SER A 29 -7.455 -6.897 13.233 1.00 0.00 C ATOM 471 C SER A 29 -7.866 -5.459 12.909 1.00 0.00 C ATOM 472 O SER A 29 -8.551 -4.812 13.699 1.00 0.00 O ATOM 473 CB SER A 29 -6.419 -6.912 14.359 1.00 0.00 C ATOM 474 OG SER A 29 -6.409 -5.690 15.092 1.00 0.00 O ATOM 0 H SER A 29 -5.969 -7.846 12.103 1.00 0.00 H new ATOM 0 HA SER A 29 -8.330 -7.450 13.574 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.632 -7.739 15.036 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.429 -7.091 13.939 1.00 0.00 H new ATOM 0 HG SER A 29 -5.844 -5.036 14.630 1.00 0.00 H new ATOM 480 N GLU A 30 -7.429 -5.001 11.744 1.00 0.00 N ATOM 481 CA GLU A 30 -7.742 -3.652 11.306 1.00 0.00 C ATOM 482 C GLU A 30 -8.489 -3.688 9.971 1.00 0.00 C ATOM 483 O GLU A 30 -8.617 -2.665 9.299 1.00 0.00 O ATOM 484 CB GLU A 30 -6.475 -2.801 11.202 1.00 0.00 C ATOM 485 CG GLU A 30 -6.115 -2.186 12.556 1.00 0.00 C ATOM 486 CD GLU A 30 -4.721 -1.557 12.520 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.498 -0.589 11.777 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.854 -2.107 13.300 1.00 0.00 O ATOM 0 H GLU A 30 -6.861 -5.541 11.091 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.390 -3.190 12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.648 -3.416 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.623 -2.010 10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.852 -1.429 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.152 -2.953 13.329 1.00 0.00 H new ATOM 496 N SER A 31 -8.963 -4.876 9.626 1.00 0.00 N ATOM 497 CA SER A 31 -9.693 -5.059 8.383 1.00 0.00 C ATOM 498 C SER A 31 -10.598 -3.852 8.126 1.00 0.00 C ATOM 499 O SER A 31 -11.680 -3.749 8.702 1.00 0.00 O ATOM 500 CB SER A 31 -10.520 -6.346 8.414 1.00 0.00 C ATOM 501 OG SER A 31 -11.908 -6.094 8.207 1.00 0.00 O ATOM 0 H SER A 31 -8.856 -5.722 10.186 1.00 0.00 H new ATOM 0 HA SER A 31 -8.971 -5.143 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.157 -7.029 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.381 -6.843 9.374 1.00 0.00 H new ATOM 0 HG SER A 31 -12.190 -5.340 8.765 1.00 0.00 H new ATOM 507 N HIS A 32 -10.122 -2.969 7.260 1.00 0.00 N ATOM 508 CA HIS A 32 -10.874 -1.774 6.920 1.00 0.00 C ATOM 509 C HIS A 32 -11.955 -2.122 5.894 1.00 0.00 C ATOM 510 O HIS A 32 -12.636 -3.138 6.026 1.00 0.00 O ATOM 511 CB HIS A 32 -9.939 -0.661 6.442 1.00 0.00 C ATOM 512 CG HIS A 32 -9.262 -0.952 5.123 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.309 -2.194 4.515 1.00 0.00 N ATOM 514 CD2 HIS A 32 -8.524 -0.149 4.304 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.626 -2.131 3.381 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.140 -0.863 3.253 1.00 0.00 N ATOM 0 H HIS A 32 -9.224 -3.058 6.784 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.376 -1.391 7.809 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.509 0.264 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.175 -0.491 7.201 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.788 -3.018 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.292 0.891 4.481 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.480 -2.941 2.682 1.00 0.00 H new ATOM 524 N PHE A 33 -12.077 -1.260 4.896 1.00 0.00 N ATOM 525 CA PHE A 33 -13.063 -1.464 3.848 1.00 0.00 C ATOM 526 C PHE A 33 -12.929 -2.858 3.233 1.00 0.00 C ATOM 527 O PHE A 33 -12.196 -3.700 3.748 1.00 0.00 O ATOM 528 CB PHE A 33 -12.792 -0.414 2.769 1.00 0.00 C ATOM 529 CG PHE A 33 -13.605 0.871 2.932 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.885 0.930 2.475 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.049 1.956 3.536 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.639 2.123 2.627 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.803 3.149 3.688 1.00 0.00 C ATOM 534 CZ PHE A 33 -15.082 3.208 3.231 1.00 0.00 C ATOM 0 H PHE A 33 -11.510 -0.419 4.790 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.068 -1.374 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.731 -0.164 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.009 -0.847 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.328 0.069 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.033 1.910 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -16.655 2.170 2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.361 4.010 4.167 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.656 4.116 3.347 1.00 0.00 H new ATOM 544 N LYS A 34 -13.648 -3.058 2.138 1.00 0.00 N ATOM 545 CA LYS A 34 -13.619 -4.336 1.446 1.00 0.00 C ATOM 546 C LYS A 34 -13.488 -4.094 -0.059 1.00 0.00 C ATOM 547 O LYS A 34 -13.248 -2.967 -0.491 1.00 0.00 O ATOM 548 CB LYS A 34 -14.835 -5.181 1.830 1.00 0.00 C ATOM 549 CG LYS A 34 -14.759 -5.620 3.293 1.00 0.00 C ATOM 550 CD LYS A 34 -13.903 -6.879 3.445 1.00 0.00 C ATOM 551 CE LYS A 34 -13.955 -7.408 4.879 1.00 0.00 C ATOM 552 NZ LYS A 34 -15.304 -7.935 5.188 1.00 0.00 N ATOM 0 H LYS A 34 -14.254 -2.357 1.713 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.748 -4.915 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.747 -4.607 1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.890 -6.059 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.339 -4.815 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.763 -5.811 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.255 -7.648 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.871 -6.656 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.212 -8.195 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.701 -6.610 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.255 -8.539 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.954 -7.143 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.651 -8.494 4.382 1.00 0.00 H new ATOM 565 N THR A 35 -13.651 -5.169 -0.815 1.00 0.00 N ATOM 566 CA THR A 35 -13.554 -5.087 -2.263 1.00 0.00 C ATOM 567 C THR A 35 -14.794 -4.404 -2.842 1.00 0.00 C ATOM 568 O THR A 35 -15.808 -4.268 -2.160 1.00 0.00 O ATOM 569 CB THR A 35 -13.331 -6.501 -2.802 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.250 -7.004 -2.022 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.790 -6.504 -4.234 1.00 0.00 C ATOM 0 H THR A 35 -13.850 -6.102 -0.453 1.00 0.00 H new ATOM 0 HA THR A 35 -12.709 -4.470 -2.569 1.00 0.00 H new ATOM 0 HB THR A 35 -14.270 -7.054 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.335 -7.976 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.650 -7.532 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.500 -6.002 -4.892 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.835 -5.980 -4.263 1.00 0.00 H new ATOM 579 N GLY A 36 -14.672 -3.992 -4.096 1.00 0.00 N ATOM 580 CA GLY A 36 -15.770 -3.326 -4.775 1.00 0.00 C ATOM 581 C GLY A 36 -16.145 -2.024 -4.066 1.00 0.00 C ATOM 582 O GLY A 36 -17.208 -1.459 -4.317 1.00 0.00 O ATOM 0 H GLY A 36 -13.829 -4.107 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.489 -3.114 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.636 -3.988 -4.810 1.00 0.00 H new ATOM 586 N ASP A 37 -15.250 -1.585 -3.192 1.00 0.00 N ATOM 587 CA ASP A 37 -15.474 -0.359 -2.444 1.00 0.00 C ATOM 588 C ASP A 37 -14.384 0.655 -2.798 1.00 0.00 C ATOM 589 O ASP A 37 -13.588 0.425 -3.707 1.00 0.00 O ATOM 590 CB ASP A 37 -15.410 -0.614 -0.937 1.00 0.00 C ATOM 591 CG ASP A 37 -16.739 -0.448 -0.196 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.469 0.532 -0.407 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.019 -1.389 0.640 1.00 0.00 O ATOM 0 H ASP A 37 -14.369 -2.056 -2.985 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.463 0.019 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.042 -1.626 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.680 0.066 -0.499 1.00 0.00 H new ATOM 599 N VAL A 38 -14.384 1.756 -2.061 1.00 0.00 N ATOM 600 CA VAL A 38 -13.405 2.807 -2.286 1.00 0.00 C ATOM 601 C VAL A 38 -12.342 2.750 -1.187 1.00 0.00 C ATOM 602 O VAL A 38 -12.628 2.345 -0.062 1.00 0.00 O ATOM 603 CB VAL A 38 -14.105 4.164 -2.372 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.358 5.219 -1.553 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.262 4.610 -3.827 1.00 0.00 C ATOM 0 H VAL A 38 -15.046 1.943 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.896 2.659 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.102 4.053 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.877 6.175 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.322 4.910 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.343 5.325 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.763 5.578 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.279 4.695 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.857 3.876 -4.370 1.00 0.00 H new ATOM 615 N LEU A 39 -11.137 3.164 -1.553 1.00 0.00 N ATOM 616 CA LEU A 39 -10.030 3.166 -0.612 1.00 0.00 C ATOM 617 C LEU A 39 -9.342 4.532 -0.643 1.00 0.00 C ATOM 618 O LEU A 39 -8.736 4.904 -1.647 1.00 0.00 O ATOM 619 CB LEU A 39 -9.085 1.996 -0.894 1.00 0.00 C ATOM 620 CG LEU A 39 -9.519 0.635 -0.344 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.821 -0.505 -1.088 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.291 0.558 1.167 1.00 0.00 C ATOM 0 H LEU A 39 -10.904 3.500 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.394 3.015 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.961 1.907 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.106 2.238 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.590 0.522 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.147 -1.461 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.076 -0.459 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.742 -0.409 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.607 -0.419 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.232 0.701 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.871 1.337 1.663 1.00 0.00 H new ATOM 634 N ARG A 40 -9.460 5.243 0.469 1.00 0.00 N ATOM 635 CA ARG A 40 -8.857 6.560 0.582 1.00 0.00 C ATOM 636 C ARG A 40 -7.331 6.447 0.598 1.00 0.00 C ATOM 637 O ARG A 40 -6.760 5.847 1.508 1.00 0.00 O ATOM 638 CB ARG A 40 -9.322 7.271 1.855 1.00 0.00 C ATOM 639 CG ARG A 40 -9.469 8.776 1.619 1.00 0.00 C ATOM 640 CD ARG A 40 -10.939 9.164 1.451 1.00 0.00 C ATOM 641 NE ARG A 40 -11.667 8.952 2.722 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.945 9.332 2.934 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.648 9.948 1.960 1.00 0.00 N ATOM 644 NH2 ARG A 40 -13.497 9.092 4.109 1.00 0.00 N ATOM 0 H ARG A 40 -9.964 4.932 1.299 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.172 7.144 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.276 6.855 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.606 7.093 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.039 9.323 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.909 9.065 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.016 10.208 1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.393 8.568 0.659 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.172 8.490 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.214 10.130 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.613 10.232 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.959 8.626 4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.462 9.372 4.286 1.00 0.00 H new ATOM 657 N VAL A 41 -6.715 7.032 -0.418 1.00 0.00 N ATOM 658 CA VAL A 41 -5.267 7.003 -0.532 1.00 0.00 C ATOM 659 C VAL A 41 -4.690 8.302 0.035 1.00 0.00 C ATOM 660 O VAL A 41 -5.237 9.380 -0.192 1.00 0.00 O ATOM 661 CB VAL A 41 -4.862 6.754 -1.986 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.651 7.655 -2.938 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.355 6.943 -2.175 1.00 0.00 C ATOM 0 H VAL A 41 -7.192 7.529 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.854 6.181 0.052 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.103 5.719 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.343 7.457 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.717 7.451 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.456 8.700 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.093 6.760 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.079 7.962 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.817 6.241 -1.537 1.00 0.00 H new ATOM 673 N GLY A 42 -3.592 8.156 0.762 1.00 0.00 N ATOM 674 CA GLY A 42 -2.935 9.303 1.364 1.00 0.00 C ATOM 675 C GLY A 42 -1.434 9.052 1.528 1.00 0.00 C ATOM 676 O GLY A 42 -0.916 8.041 1.058 1.00 0.00 O ATOM 0 H GLY A 42 -3.141 7.260 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.094 10.185 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.381 9.513 2.336 1.00 0.00 H new ATOM 680 N ARG A 43 -0.779 9.991 2.195 1.00 0.00 N ATOM 681 CA ARG A 43 0.651 9.884 2.427 1.00 0.00 C ATOM 682 C ARG A 43 0.936 9.717 3.921 1.00 0.00 C ATOM 683 O ARG A 43 0.419 10.471 4.743 1.00 0.00 O ATOM 684 CB ARG A 43 1.387 11.122 1.910 1.00 0.00 C ATOM 685 CG ARG A 43 2.590 10.726 1.052 1.00 0.00 C ATOM 686 CD ARG A 43 3.394 11.959 0.633 1.00 0.00 C ATOM 687 NE ARG A 43 2.766 12.595 -0.547 1.00 0.00 N ATOM 688 CZ ARG A 43 3.320 13.610 -1.244 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.520 14.114 -0.884 1.00 0.00 N ATOM 690 NH2 ARG A 43 2.670 14.102 -2.282 1.00 0.00 N ATOM 0 H ARG A 43 -1.212 10.829 2.582 1.00 0.00 H new ATOM 0 HA ARG A 43 1.010 9.009 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.704 11.737 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.720 11.729 2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.230 10.042 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.249 10.191 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.441 12.670 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.420 11.673 0.400 1.00 0.00 H new ATOM 0 HE ARG A 43 1.858 12.245 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.015 13.728 -0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.931 14.881 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.764 13.715 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.074 14.869 -2.820 1.00 0.00 H new ATOM 703 N PHE A 44 1.758 8.723 4.226 1.00 0.00 N ATOM 704 CA PHE A 44 2.118 8.448 5.607 1.00 0.00 C ATOM 705 C PHE A 44 3.029 9.543 6.165 1.00 0.00 C ATOM 706 O PHE A 44 3.048 9.784 7.371 1.00 0.00 O ATOM 707 CB PHE A 44 2.876 7.118 5.614 1.00 0.00 C ATOM 708 CG PHE A 44 2.466 6.175 6.748 1.00 0.00 C ATOM 709 CD1 PHE A 44 2.599 6.570 8.042 1.00 0.00 C ATOM 710 CD2 PHE A 44 1.969 4.942 6.460 1.00 0.00 C ATOM 711 CE1 PHE A 44 2.219 5.695 9.094 1.00 0.00 C ATOM 712 CE2 PHE A 44 1.589 4.067 7.512 1.00 0.00 C ATOM 713 CZ PHE A 44 1.722 4.462 8.807 1.00 0.00 C ATOM 0 H PHE A 44 2.185 8.099 3.541 1.00 0.00 H new ATOM 0 HA PHE A 44 1.221 8.409 6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.715 6.615 4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.944 7.321 5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.994 7.549 8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.863 4.629 5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.325 6.009 10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.194 3.088 7.284 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.433 3.797 9.607 1.00 0.00 H new ATOM 723 N GLU A 45 3.761 10.177 5.261 1.00 0.00 N ATOM 724 CA GLU A 45 4.672 11.241 5.649 1.00 0.00 C ATOM 725 C GLU A 45 3.951 12.262 6.531 1.00 0.00 C ATOM 726 O GLU A 45 4.462 12.653 7.579 1.00 0.00 O ATOM 727 CB GLU A 45 5.283 11.914 4.418 1.00 0.00 C ATOM 728 CG GLU A 45 6.788 11.651 4.340 1.00 0.00 C ATOM 729 CD GLU A 45 7.573 12.963 4.293 1.00 0.00 C ATOM 730 OE1 GLU A 45 8.383 13.234 5.192 1.00 0.00 O ATOM 731 OE2 GLU A 45 7.318 13.715 3.276 1.00 0.00 O ATOM 0 H GLU A 45 3.742 9.975 4.261 1.00 0.00 H new ATOM 0 HA GLU A 45 5.487 10.804 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.798 11.540 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.099 12.988 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.103 11.065 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.011 11.058 3.453 1.00 0.00 H new ATOM 739 N ASP A 46 2.774 12.665 6.074 1.00 0.00 N ATOM 740 CA ASP A 46 1.977 13.632 6.809 1.00 0.00 C ATOM 741 C ASP A 46 0.803 14.085 5.939 1.00 0.00 C ATOM 742 O ASP A 46 -0.296 14.314 6.443 1.00 0.00 O ATOM 743 CB ASP A 46 2.805 14.869 7.167 1.00 0.00 C ATOM 744 CG ASP A 46 3.973 15.160 6.223 1.00 0.00 C ATOM 745 OD1 ASP A 46 3.776 15.480 5.042 1.00 0.00 O ATOM 746 OD2 ASP A 46 5.144 15.045 6.753 1.00 0.00 O ATOM 0 H ASP A 46 2.353 12.339 5.204 1.00 0.00 H new ATOM 0 HA ASP A 46 1.626 13.155 7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.146 15.737 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.196 14.746 8.177 1.00 0.00 H new ATOM 752 N ASP A 47 1.075 14.202 4.648 1.00 0.00 N ATOM 753 CA ASP A 47 0.054 14.623 3.703 1.00 0.00 C ATOM 754 C ASP A 47 -1.268 13.934 4.046 1.00 0.00 C ATOM 755 O ASP A 47 -2.291 14.596 4.216 1.00 0.00 O ATOM 756 CB ASP A 47 0.433 14.233 2.273 1.00 0.00 C ATOM 757 CG ASP A 47 0.351 15.368 1.250 1.00 0.00 C ATOM 758 OD1 ASP A 47 -0.666 16.071 1.157 1.00 0.00 O ATOM 759 OD2 ASP A 47 1.402 15.520 0.518 1.00 0.00 O ATOM 0 H ASP A 47 1.988 14.013 4.234 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.040 15.707 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.450 13.840 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.220 13.423 1.948 1.00 0.00 H new ATOM 765 N GLY A 48 -1.204 12.614 4.139 1.00 0.00 N ATOM 766 CA GLY A 48 -2.384 11.829 4.459 1.00 0.00 C ATOM 767 C GLY A 48 -3.388 11.852 3.305 1.00 0.00 C ATOM 768 O GLY A 48 -2.998 11.871 2.138 1.00 0.00 O ATOM 0 H GLY A 48 -0.354 12.068 3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.094 10.800 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.853 12.222 5.361 1.00 0.00 H new ATOM 772 N TYR A 49 -4.662 11.850 3.670 1.00 0.00 N ATOM 773 CA TYR A 49 -5.725 11.870 2.680 1.00 0.00 C ATOM 774 C TYR A 49 -5.340 12.740 1.481 1.00 0.00 C ATOM 775 O TYR A 49 -5.340 13.967 1.574 1.00 0.00 O ATOM 776 CB TYR A 49 -6.938 12.490 3.376 1.00 0.00 C ATOM 777 CG TYR A 49 -7.946 13.129 2.419 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.913 12.352 1.816 1.00 0.00 C ATOM 779 CD2 TYR A 49 -7.887 14.483 2.159 1.00 0.00 C ATOM 780 CE1 TYR A 49 -9.862 12.953 0.915 1.00 0.00 C ATOM 781 CE2 TYR A 49 -8.836 15.085 1.257 1.00 0.00 C ATOM 782 CZ TYR A 49 -9.776 14.290 0.680 1.00 0.00 C ATOM 783 OH TYR A 49 -10.672 14.858 -0.171 1.00 0.00 O ATOM 0 H TYR A 49 -4.982 11.835 4.638 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.924 10.864 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.443 11.719 3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.592 13.246 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.958 11.292 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.130 15.091 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.624 12.356 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.801 16.143 1.044 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.492 15.819 -0.243 1.00 0.00 H new ATOM 793 N PHE A 50 -5.022 12.071 0.383 1.00 0.00 N ATOM 794 CA PHE A 50 -4.637 12.768 -0.833 1.00 0.00 C ATOM 795 C PHE A 50 -5.713 12.625 -1.911 1.00 0.00 C ATOM 796 O PHE A 50 -6.190 13.621 -2.453 1.00 0.00 O ATOM 797 CB PHE A 50 -3.344 12.118 -1.330 1.00 0.00 C ATOM 798 CG PHE A 50 -2.433 13.065 -2.114 1.00 0.00 C ATOM 799 CD1 PHE A 50 -1.769 14.060 -1.468 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.288 12.911 -3.458 1.00 0.00 C ATOM 801 CE1 PHE A 50 -0.924 14.939 -2.196 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.443 13.789 -4.185 1.00 0.00 C ATOM 803 CZ PHE A 50 -0.778 14.785 -3.539 1.00 0.00 C ATOM 0 H PHE A 50 -5.023 11.054 0.309 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.506 13.830 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.794 11.727 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.597 11.267 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.884 14.182 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.816 12.121 -3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.397 15.730 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.328 13.667 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.135 15.453 -4.093 1.00 0.00 H new ATOM 813 N CYS A 51 -6.064 11.378 -2.190 1.00 0.00 N ATOM 814 CA CYS A 51 -7.075 11.092 -3.194 1.00 0.00 C ATOM 815 C CYS A 51 -7.809 9.814 -2.786 1.00 0.00 C ATOM 816 O CYS A 51 -7.578 9.280 -1.701 1.00 0.00 O ATOM 817 CB CYS A 51 -6.466 10.978 -4.593 1.00 0.00 C ATOM 818 SG CYS A 51 -5.382 12.416 -4.923 1.00 0.00 S ATOM 0 H CYS A 51 -5.666 10.554 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.785 11.917 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.893 10.054 -4.675 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.258 10.930 -5.341 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.732 13.408 -4.159 1.00 0.00 H new ATOM 824 N THR A 52 -8.679 9.359 -3.675 1.00 0.00 N ATOM 825 CA THR A 52 -9.449 8.153 -3.421 1.00 0.00 C ATOM 826 C THR A 52 -9.258 7.148 -4.559 1.00 0.00 C ATOM 827 O THR A 52 -9.016 7.537 -5.701 1.00 0.00 O ATOM 828 CB THR A 52 -10.909 8.560 -3.209 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.841 9.600 -2.237 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.729 7.464 -2.525 1.00 0.00 C ATOM 0 H THR A 52 -8.868 9.804 -4.573 1.00 0.00 H new ATOM 0 HA THR A 52 -9.103 7.646 -2.520 1.00 0.00 H new ATOM 0 HB THR A 52 -11.361 8.805 -4.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.745 9.924 -2.041 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.757 7.804 -2.399 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.718 6.564 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.297 7.242 -1.549 1.00 0.00 H new ATOM 838 N ILE A 53 -9.373 5.876 -4.207 1.00 0.00 N ATOM 839 CA ILE A 53 -9.215 4.813 -5.185 1.00 0.00 C ATOM 840 C ILE A 53 -10.284 3.744 -4.946 1.00 0.00 C ATOM 841 O ILE A 53 -10.998 3.788 -3.945 1.00 0.00 O ATOM 842 CB ILE A 53 -7.786 4.269 -5.159 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.616 3.224 -4.054 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.769 5.405 -5.034 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.250 1.891 -4.458 1.00 0.00 C ATOM 0 H ILE A 53 -9.574 5.558 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.367 5.198 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.595 3.768 -6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.556 3.078 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.075 3.585 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.761 4.991 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.871 6.079 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.950 5.955 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.115 1.166 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.315 2.035 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.772 1.521 -5.365 1.00 0.00 H new ATOM 857 N GLU A 54 -10.360 2.809 -5.881 1.00 0.00 N ATOM 858 CA GLU A 54 -11.330 1.731 -5.785 1.00 0.00 C ATOM 859 C GLU A 54 -10.618 0.377 -5.766 1.00 0.00 C ATOM 860 O GLU A 54 -9.611 0.192 -6.448 1.00 0.00 O ATOM 861 CB GLU A 54 -12.343 1.802 -6.929 1.00 0.00 C ATOM 862 CG GLU A 54 -13.728 2.194 -6.410 1.00 0.00 C ATOM 863 CD GLU A 54 -14.813 1.862 -7.437 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.591 2.746 -7.825 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.829 0.635 -7.835 1.00 0.00 O ATOM 0 H GLU A 54 -9.766 2.775 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.879 1.844 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.010 2.528 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.399 0.836 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.933 1.669 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.748 3.261 -6.187 1.00 0.00 H new ATOM 873 N VAL A 55 -11.169 -0.535 -4.978 1.00 0.00 N ATOM 874 CA VAL A 55 -10.599 -1.866 -4.862 1.00 0.00 C ATOM 875 C VAL A 55 -10.951 -2.678 -6.110 1.00 0.00 C ATOM 876 O VAL A 55 -11.894 -2.345 -6.826 1.00 0.00 O ATOM 877 CB VAL A 55 -11.073 -2.527 -3.566 1.00 0.00 C ATOM 878 CG1 VAL A 55 -9.963 -3.379 -2.947 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.582 -1.481 -2.572 1.00 0.00 C ATOM 0 H VAL A 55 -12.004 -0.378 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.512 -1.812 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.904 -3.188 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.326 -3.837 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.668 -4.159 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.102 -2.749 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.913 -1.977 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.779 -0.783 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.417 -0.937 -3.012 1.00 0.00 H new ATOM 889 N THR A 56 -10.173 -3.727 -6.333 1.00 0.00 N ATOM 890 CA THR A 56 -10.391 -4.589 -7.483 1.00 0.00 C ATOM 891 C THR A 56 -10.295 -6.060 -7.073 1.00 0.00 C ATOM 892 O THR A 56 -11.130 -6.873 -7.464 1.00 0.00 O ATOM 893 CB THR A 56 -9.387 -4.194 -8.567 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.833 -4.893 -9.725 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.989 -4.759 -8.305 1.00 0.00 C ATOM 0 H THR A 56 -9.391 -4.000 -5.737 1.00 0.00 H new ATOM 0 HA THR A 56 -11.395 -4.462 -7.888 1.00 0.00 H new ATOM 0 HB THR A 56 -9.332 -3.107 -8.632 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.238 -4.692 -10.478 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.316 -4.449 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.618 -4.384 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.037 -5.847 -8.273 1.00 0.00 H new ATOM 903 N ALA A 57 -9.268 -6.356 -6.289 1.00 0.00 N ATOM 904 CA ALA A 57 -9.052 -7.715 -5.821 1.00 0.00 C ATOM 905 C ALA A 57 -8.594 -7.680 -4.362 1.00 0.00 C ATOM 906 O ALA A 57 -8.259 -6.619 -3.837 1.00 0.00 O ATOM 907 CB ALA A 57 -8.042 -8.414 -6.733 1.00 0.00 C ATOM 0 H ALA A 57 -8.577 -5.679 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.979 -8.287 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.880 -9.433 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.428 -8.438 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.098 -7.870 -6.715 1.00 0.00 H new ATOM 913 N THR A 58 -8.594 -8.854 -3.747 1.00 0.00 N ATOM 914 CA THR A 58 -8.183 -8.972 -2.358 1.00 0.00 C ATOM 915 C THR A 58 -7.922 -10.436 -2.002 1.00 0.00 C ATOM 916 O THR A 58 -8.740 -11.306 -2.296 1.00 0.00 O ATOM 917 CB THR A 58 -9.259 -8.317 -1.490 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.972 -6.924 -1.573 1.00 0.00 O ATOM 919 CG2 THR A 58 -9.091 -8.644 -0.004 1.00 0.00 C ATOM 0 H THR A 58 -8.872 -9.732 -4.185 1.00 0.00 H new ATOM 0 HA THR A 58 -7.241 -8.454 -2.178 1.00 0.00 H new ATOM 0 HB THR A 58 -10.244 -8.643 -1.825 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.333 -6.764 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.880 -8.155 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.154 -9.723 0.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.120 -8.288 0.339 1.00 0.00 H new ATOM 927 N SER A 59 -6.778 -10.664 -1.373 1.00 0.00 N ATOM 928 CA SER A 59 -6.399 -12.009 -0.973 1.00 0.00 C ATOM 929 C SER A 59 -5.374 -11.948 0.162 1.00 0.00 C ATOM 930 O SER A 59 -4.852 -10.879 0.475 1.00 0.00 O ATOM 931 CB SER A 59 -5.834 -12.797 -2.156 1.00 0.00 C ATOM 932 OG SER A 59 -5.652 -11.975 -3.306 1.00 0.00 O ATOM 0 H SER A 59 -6.101 -9.940 -1.131 1.00 0.00 H new ATOM 0 HA SER A 59 -7.292 -12.525 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.880 -13.241 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.508 -13.618 -2.400 1.00 0.00 H new ATOM 0 HG SER A 59 -5.288 -12.514 -4.039 1.00 0.00 H new ATOM 938 N THR A 60 -5.118 -13.108 0.748 1.00 0.00 N ATOM 939 CA THR A 60 -4.165 -13.200 1.841 1.00 0.00 C ATOM 940 C THR A 60 -2.758 -13.462 1.301 1.00 0.00 C ATOM 941 O THR A 60 -2.491 -14.524 0.742 1.00 0.00 O ATOM 942 CB THR A 60 -4.656 -14.281 2.806 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.420 -15.160 1.984 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.670 -13.744 3.819 1.00 0.00 C ATOM 0 H THR A 60 -5.554 -13.992 0.487 1.00 0.00 H new ATOM 0 HA THR A 60 -4.099 -12.260 2.389 1.00 0.00 H new ATOM 0 HB THR A 60 -3.805 -14.709 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.775 -15.892 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.986 -14.551 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.210 -12.951 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.537 -13.347 3.291 1.00 0.00 H new ATOM 952 N VAL A 61 -1.894 -12.475 1.489 1.00 0.00 N ATOM 953 CA VAL A 61 -0.520 -12.585 1.028 1.00 0.00 C ATOM 954 C VAL A 61 0.365 -11.643 1.846 1.00 0.00 C ATOM 955 O VAL A 61 -0.138 -10.789 2.575 1.00 0.00 O ATOM 956 CB VAL A 61 -0.450 -12.314 -0.477 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.440 -13.343 -1.178 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.849 -12.288 -1.095 1.00 0.00 C ATOM 0 H VAL A 61 -2.119 -11.596 1.954 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.146 -13.597 1.181 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.002 -11.330 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.473 -13.128 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.448 -13.293 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.034 -14.342 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.771 -12.094 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.335 -13.251 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.440 -11.501 -0.626 1.00 0.00 H new ATOM 968 N THR A 62 1.668 -11.830 1.699 1.00 0.00 N ATOM 969 CA THR A 62 2.628 -11.007 2.416 1.00 0.00 C ATOM 970 C THR A 62 2.843 -9.680 1.686 1.00 0.00 C ATOM 971 O THR A 62 2.025 -9.283 0.858 1.00 0.00 O ATOM 972 CB THR A 62 3.912 -11.821 2.588 1.00 0.00 C ATOM 973 OG1 THR A 62 3.464 -13.174 2.618 1.00 0.00 O ATOM 974 CG2 THR A 62 4.558 -11.612 3.960 1.00 0.00 C ATOM 0 H THR A 62 2.082 -12.539 1.094 1.00 0.00 H new ATOM 0 HA THR A 62 2.259 -10.741 3.407 1.00 0.00 H new ATOM 0 HB THR A 62 4.622 -11.549 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.234 -13.771 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.465 -12.212 4.030 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.809 -10.559 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.861 -11.916 4.741 1.00 0.00 H new ATOM 982 N LEU A 63 3.949 -9.031 2.019 1.00 0.00 N ATOM 983 CA LEU A 63 4.283 -7.757 1.405 1.00 0.00 C ATOM 984 C LEU A 63 5.177 -8.000 0.188 1.00 0.00 C ATOM 985 O LEU A 63 4.726 -7.890 -0.951 1.00 0.00 O ATOM 986 CB LEU A 63 4.895 -6.809 2.438 1.00 0.00 C ATOM 987 CG LEU A 63 5.944 -7.418 3.369 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.288 -6.702 3.225 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.453 -7.427 4.818 1.00 0.00 C ATOM 0 H LEU A 63 4.625 -9.364 2.706 1.00 0.00 H new ATOM 0 HA LEU A 63 3.382 -7.261 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.350 -5.972 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.090 -6.400 3.049 1.00 0.00 H new ATOM 0 HG LEU A 63 6.099 -8.456 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.016 -7.155 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.640 -6.792 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.168 -5.648 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.218 -7.865 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.251 -6.405 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.539 -8.017 4.889 1.00 0.00 H new ATOM 1001 N ASP A 64 6.430 -8.328 0.470 1.00 0.00 N ATOM 1002 CA ASP A 64 7.392 -8.588 -0.587 1.00 0.00 C ATOM 1003 C ASP A 64 6.790 -9.579 -1.586 1.00 0.00 C ATOM 1004 O ASP A 64 7.320 -9.761 -2.681 1.00 0.00 O ATOM 1005 CB ASP A 64 8.675 -9.203 -0.026 1.00 0.00 C ATOM 1006 CG ASP A 64 9.950 -8.854 -0.795 1.00 0.00 C ATOM 1007 OD1 ASP A 64 10.942 -8.392 -0.212 1.00 0.00 O ATOM 1008 OD2 ASP A 64 9.899 -9.079 -2.065 1.00 0.00 O ATOM 0 H ASP A 64 6.801 -8.420 1.416 1.00 0.00 H new ATOM 0 HA ASP A 64 7.628 -7.639 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.793 -8.880 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.564 -10.287 -0.010 1.00 0.00 H new ATOM 1014 N THR A 65 5.691 -10.192 -1.173 1.00 0.00 N ATOM 1015 CA THR A 65 5.011 -11.160 -2.017 1.00 0.00 C ATOM 1016 C THR A 65 4.204 -10.446 -3.103 1.00 0.00 C ATOM 1017 O THR A 65 3.516 -11.089 -3.894 1.00 0.00 O ATOM 1018 CB THR A 65 4.159 -12.057 -1.117 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.491 -11.144 -0.250 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.005 -12.914 -0.175 1.00 0.00 C ATOM 0 H THR A 65 5.254 -10.037 -0.264 1.00 0.00 H new ATOM 0 HA THR A 65 5.723 -11.792 -2.548 1.00 0.00 H new ATOM 0 HB THR A 65 3.536 -12.704 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.594 -10.960 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.351 -13.531 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.664 -13.555 -0.760 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.604 -12.267 0.466 1.00 0.00 H new ATOM 1028 N LEU A 66 4.315 -9.125 -3.106 1.00 0.00 N ATOM 1029 CA LEU A 66 3.604 -8.317 -4.082 1.00 0.00 C ATOM 1030 C LEU A 66 4.020 -6.853 -3.925 1.00 0.00 C ATOM 1031 O LEU A 66 4.311 -6.178 -4.911 1.00 0.00 O ATOM 1032 CB LEU A 66 2.095 -8.543 -3.968 1.00 0.00 C ATOM 1033 CG LEU A 66 1.571 -8.878 -2.570 1.00 0.00 C ATOM 1034 CD1 LEU A 66 1.150 -7.610 -1.824 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.438 -9.904 -2.640 1.00 0.00 C ATOM 0 H LEU A 66 4.886 -8.595 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 66 3.872 -8.619 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.586 -7.646 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.817 -9.353 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 66 2.382 -9.332 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.781 -7.876 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.007 -6.944 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.361 -7.105 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.084 -10.124 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.383 -9.500 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.804 -10.820 -3.104 1.00 0.00 H new ATOM 1047 N THR A 67 4.034 -6.406 -2.678 1.00 0.00 N ATOM 1048 CA THR A 67 4.410 -5.034 -2.380 1.00 0.00 C ATOM 1049 C THR A 67 5.676 -4.648 -3.147 1.00 0.00 C ATOM 1050 O THR A 67 6.530 -5.494 -3.406 1.00 0.00 O ATOM 1051 CB THR A 67 4.555 -4.903 -0.862 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.236 -4.611 -0.411 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.370 -3.673 -0.456 1.00 0.00 C ATOM 0 H THR A 67 3.791 -6.969 -1.863 1.00 0.00 H new ATOM 0 HA THR A 67 3.643 -4.333 -2.710 1.00 0.00 H new ATOM 0 HB THR A 67 5.029 -5.800 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.281 -4.025 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.443 -3.627 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.370 -3.742 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.879 -2.773 -0.825 1.00 0.00 H new ATOM 1061 N GLU A 68 5.756 -3.371 -3.489 1.00 0.00 N ATOM 1062 CA GLU A 68 6.903 -2.863 -4.221 1.00 0.00 C ATOM 1063 C GLU A 68 8.200 -3.422 -3.632 1.00 0.00 C ATOM 1064 O GLU A 68 9.225 -3.470 -4.310 1.00 0.00 O ATOM 1065 CB GLU A 68 6.918 -1.333 -4.225 1.00 0.00 C ATOM 1066 CG GLU A 68 6.248 -0.781 -5.484 1.00 0.00 C ATOM 1067 CD GLU A 68 5.480 0.507 -5.177 1.00 0.00 C ATOM 1068 OE1 GLU A 68 5.709 1.130 -4.130 1.00 0.00 O ATOM 1069 OE2 GLU A 68 4.621 0.856 -6.073 1.00 0.00 O ATOM 0 H GLU A 68 5.045 -2.673 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 68 6.824 -3.196 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.403 -0.959 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.946 -0.976 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.003 -0.586 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.566 -1.526 -5.894 1.00 0.00 H new ATOM 1077 N LYS A 69 8.112 -3.832 -2.375 1.00 0.00 N ATOM 1078 CA LYS A 69 9.265 -4.386 -1.686 1.00 0.00 C ATOM 1079 C LYS A 69 9.961 -5.398 -2.599 1.00 0.00 C ATOM 1080 O LYS A 69 11.181 -5.547 -2.550 1.00 0.00 O ATOM 1081 CB LYS A 69 8.854 -4.963 -0.330 1.00 0.00 C ATOM 1082 CG LYS A 69 10.000 -5.759 0.298 1.00 0.00 C ATOM 1083 CD LYS A 69 10.520 -5.068 1.560 1.00 0.00 C ATOM 1084 CE LYS A 69 11.364 -6.027 2.401 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.553 -7.186 2.837 1.00 0.00 N ATOM 0 H LYS A 69 7.260 -3.792 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 69 9.990 -3.602 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.559 -4.154 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.984 -5.608 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.657 -6.764 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.811 -5.866 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.117 -4.199 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.680 -4.703 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.220 -6.372 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.760 -5.504 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.487 -7.193 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.599 -7.115 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.003 -8.066 2.513 1.00 0.00 H new ATOM 1098 N HIS A 70 9.156 -6.066 -3.411 1.00 0.00 N ATOM 1099 CA HIS A 70 9.679 -7.059 -4.334 1.00 0.00 C ATOM 1100 C HIS A 70 10.559 -6.373 -5.381 1.00 0.00 C ATOM 1101 O HIS A 70 11.718 -6.744 -5.562 1.00 0.00 O ATOM 1102 CB HIS A 70 8.544 -7.875 -4.956 1.00 0.00 C ATOM 1103 CG HIS A 70 8.864 -8.430 -6.323 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.743 -9.481 -6.518 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.413 -8.071 -7.559 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.811 -9.734 -7.816 1.00 0.00 C ATOM 1107 NE2 HIS A 70 8.987 -8.859 -8.460 1.00 0.00 N ATOM 0 H HIS A 70 8.145 -5.939 -3.449 1.00 0.00 H new ATOM 0 HA HIS A 70 10.304 -7.769 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.296 -8.701 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.656 -7.247 -5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.708 -7.280 -7.769 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.413 -10.499 -8.283 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.836 -8.817 -9.468 1.00 0.00 H new ATOM 1115 N ALA A 71 9.975 -5.386 -6.043 1.00 0.00 N ATOM 1116 CA ALA A 71 10.691 -4.645 -7.067 1.00 0.00 C ATOM 1117 C ALA A 71 11.931 -3.996 -6.448 1.00 0.00 C ATOM 1118 O ALA A 71 13.029 -4.106 -6.991 1.00 0.00 O ATOM 1119 CB ALA A 71 9.753 -3.618 -7.705 1.00 0.00 C ATOM 0 H ALA A 71 9.013 -5.082 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 71 11.029 -5.314 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.291 -3.062 -8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.904 -4.132 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.396 -2.928 -6.941 1.00 0.00 H new ATOM 1125 N GLU A 72 11.713 -3.335 -5.321 1.00 0.00 N ATOM 1126 CA GLU A 72 12.799 -2.669 -4.623 1.00 0.00 C ATOM 1127 C GLU A 72 13.871 -3.683 -4.218 1.00 0.00 C ATOM 1128 O GLU A 72 15.063 -3.432 -4.387 1.00 0.00 O ATOM 1129 CB GLU A 72 12.280 -1.903 -3.404 1.00 0.00 C ATOM 1130 CG GLU A 72 12.856 -0.487 -3.359 1.00 0.00 C ATOM 1131 CD GLU A 72 11.908 0.468 -2.632 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.930 0.020 -2.015 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.216 1.717 -2.723 1.00 0.00 O ATOM 0 H GLU A 72 10.800 -3.246 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 72 13.250 -1.944 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.192 -1.856 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.549 -2.438 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.822 -0.500 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.031 -0.129 -4.374 1.00 0.00 H new ATOM 1141 N GLN A 73 13.408 -4.806 -3.690 1.00 0.00 N ATOM 1142 CA GLN A 73 14.312 -5.860 -3.260 1.00 0.00 C ATOM 1143 C GLN A 73 15.296 -6.205 -4.379 1.00 0.00 C ATOM 1144 O GLN A 73 16.470 -6.464 -4.120 1.00 0.00 O ATOM 1145 CB GLN A 73 13.535 -7.099 -2.811 1.00 0.00 C ATOM 1146 CG GLN A 73 13.432 -7.159 -1.286 1.00 0.00 C ATOM 1147 CD GLN A 73 13.755 -8.563 -0.769 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.886 -9.514 -1.521 1.00 0.00 O ATOM 1149 NE2 GLN A 73 13.874 -8.638 0.553 1.00 0.00 N ATOM 0 H GLN A 73 12.418 -5.010 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 73 14.880 -5.498 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.536 -7.083 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 73 14.030 -7.997 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.119 -6.438 -0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.427 -6.875 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.752 -7.802 1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.088 -9.532 0.996 1.00 0.00 H new ATOM 1158 N GLU A 74 14.781 -6.196 -5.600 1.00 0.00 N ATOM 1159 CA GLU A 74 15.600 -6.505 -6.760 1.00 0.00 C ATOM 1160 C GLU A 74 16.047 -5.216 -7.453 1.00 0.00 C ATOM 1161 O GLU A 74 16.276 -5.204 -8.661 1.00 0.00 O ATOM 1162 CB GLU A 74 14.851 -7.419 -7.732 1.00 0.00 C ATOM 1163 CG GLU A 74 15.415 -8.841 -7.693 1.00 0.00 C ATOM 1164 CD GLU A 74 15.375 -9.485 -9.080 1.00 0.00 C ATOM 1165 OE1 GLU A 74 16.345 -9.373 -9.844 1.00 0.00 O ATOM 1166 OE2 GLU A 74 14.287 -10.121 -9.355 1.00 0.00 O ATOM 0 H GLU A 74 13.807 -5.980 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 74 16.488 -7.039 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.792 -7.437 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.928 -7.021 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.442 -8.819 -7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.840 -9.445 -6.991 1.00 0.00 H new ATOM 1174 N ASN A 75 16.158 -4.163 -6.657 1.00 0.00 N ATOM 1175 CA ASN A 75 16.574 -2.872 -7.179 1.00 0.00 C ATOM 1176 C ASN A 75 17.400 -2.141 -6.119 1.00 0.00 C ATOM 1177 O ASN A 75 18.574 -1.844 -6.338 1.00 0.00 O ATOM 1178 CB ASN A 75 15.363 -2.000 -7.519 1.00 0.00 C ATOM 1179 CG ASN A 75 15.619 -1.177 -8.783 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.738 -1.036 -9.248 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.521 -0.643 -9.312 1.00 0.00 N ATOM 0 H ASN A 75 15.967 -4.177 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 75 17.159 -3.045 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.485 -2.630 -7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.144 -1.334 -6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.586 -0.076 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.614 -0.800 -8.872 1.00 0.00 H new ATOM 1188 N MET A 76 16.755 -1.871 -4.993 1.00 0.00 N ATOM 1189 CA MET A 76 17.416 -1.180 -3.899 1.00 0.00 C ATOM 1190 C MET A 76 18.074 -2.175 -2.941 1.00 0.00 C ATOM 1191 O MET A 76 17.962 -3.386 -3.123 1.00 0.00 O ATOM 1192 CB MET A 76 16.393 -0.336 -3.136 1.00 0.00 C ATOM 1193 CG MET A 76 15.587 0.545 -4.093 1.00 0.00 C ATOM 1194 SD MET A 76 16.667 1.711 -4.905 1.00 0.00 S ATOM 1195 CE MET A 76 15.758 1.973 -6.419 1.00 0.00 C ATOM 0 H MET A 76 15.782 -2.118 -4.815 1.00 0.00 H new ATOM 0 HA MET A 76 18.192 -0.537 -4.315 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.719 -0.989 -2.582 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.905 0.289 -2.404 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.084 -0.075 -4.835 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.811 1.077 -3.544 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.296 2.681 -7.049 1.00 0.00 H new ATOM 0 HE2 MET A 76 15.651 1.026 -6.948 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.771 2.372 -6.186 1.00 0.00 H new ATOM 1205 N THR A 77 18.746 -1.626 -1.939 1.00 0.00 N ATOM 1206 CA THR A 77 19.423 -2.450 -0.952 1.00 0.00 C ATOM 1207 C THR A 77 18.483 -2.764 0.214 1.00 0.00 C ATOM 1208 O THR A 77 17.350 -2.287 0.249 1.00 0.00 O ATOM 1209 CB THR A 77 20.699 -1.723 -0.524 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.097 -2.394 0.669 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.432 -0.286 -0.072 1.00 0.00 C ATOM 0 H THR A 77 18.836 -0.621 -1.790 1.00 0.00 H new ATOM 0 HA THR A 77 19.707 -3.416 -1.370 1.00 0.00 H new ATOM 0 HB THR A 77 21.408 -1.716 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.919 -1.987 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.371 0.184 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.985 0.276 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.749 -0.293 0.778 1.00 0.00 H new ATOM 1219 N LEU A 78 18.988 -3.566 1.140 1.00 0.00 N ATOM 1220 CA LEU A 78 18.208 -3.950 2.304 1.00 0.00 C ATOM 1221 C LEU A 78 17.859 -2.700 3.114 1.00 0.00 C ATOM 1222 O LEU A 78 16.766 -2.601 3.669 1.00 0.00 O ATOM 1223 CB LEU A 78 18.944 -5.020 3.113 1.00 0.00 C ATOM 1224 CG LEU A 78 18.530 -6.468 2.842 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.736 -7.406 2.914 1.00 0.00 C ATOM 1226 CD2 LEU A 78 17.409 -6.904 3.788 1.00 0.00 C ATOM 0 H LEU A 78 19.928 -3.960 1.108 1.00 0.00 H new ATOM 0 HA LEU A 78 17.266 -4.406 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.012 -4.925 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.795 -4.813 4.173 1.00 0.00 H new ATOM 0 HG LEU A 78 18.137 -6.526 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.414 -8.429 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 78 20.473 -7.108 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.181 -7.350 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.134 -7.937 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 17.753 -6.826 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.541 -6.260 3.645 1.00 0.00 H new ATOM 1238 N THR A 79 18.808 -1.776 3.154 1.00 0.00 N ATOM 1239 CA THR A 79 18.614 -0.536 3.886 1.00 0.00 C ATOM 1240 C THR A 79 17.366 0.192 3.382 1.00 0.00 C ATOM 1241 O THR A 79 16.509 0.582 4.173 1.00 0.00 O ATOM 1242 CB THR A 79 19.894 0.293 3.759 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.726 -0.189 4.810 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.674 1.767 4.105 1.00 0.00 C ATOM 0 H THR A 79 19.713 -1.861 2.691 1.00 0.00 H new ATOM 0 HA THR A 79 18.436 -0.726 4.944 1.00 0.00 H new ATOM 0 HB THR A 79 20.279 0.212 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.579 0.294 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.613 2.310 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.931 2.192 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.321 1.851 5.133 1.00 0.00 H new ATOM 1252 N GLU A 80 17.305 0.353 2.068 1.00 0.00 N ATOM 1253 CA GLU A 80 16.176 1.027 1.449 1.00 0.00 C ATOM 1254 C GLU A 80 14.881 0.263 1.732 1.00 0.00 C ATOM 1255 O GLU A 80 13.876 0.858 2.117 1.00 0.00 O ATOM 1256 CB GLU A 80 16.396 1.196 -0.055 1.00 0.00 C ATOM 1257 CG GLU A 80 16.583 2.670 -0.421 1.00 0.00 C ATOM 1258 CD GLU A 80 16.752 2.843 -1.931 1.00 0.00 C ATOM 1259 OE1 GLU A 80 17.829 2.551 -2.472 1.00 0.00 O ATOM 1260 OE2 GLU A 80 15.714 3.298 -2.548 1.00 0.00 O ATOM 0 H GLU A 80 18.019 0.029 1.415 1.00 0.00 H new ATOM 0 HA GLU A 80 16.089 2.023 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.273 0.627 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.544 0.788 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.722 3.245 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.457 3.068 0.094 1.00 0.00 H new ATOM 1268 N LEU A 81 14.948 -1.045 1.530 1.00 0.00 N ATOM 1269 CA LEU A 81 13.793 -1.897 1.759 1.00 0.00 C ATOM 1270 C LEU A 81 13.300 -1.707 3.195 1.00 0.00 C ATOM 1271 O LEU A 81 12.097 -1.721 3.449 1.00 0.00 O ATOM 1272 CB LEU A 81 14.121 -3.350 1.408 1.00 0.00 C ATOM 1273 CG LEU A 81 14.108 -3.700 -0.081 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.804 -4.402 -0.467 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.367 -2.460 -0.938 1.00 0.00 C ATOM 0 H LEU A 81 15.783 -1.535 1.211 1.00 0.00 H new ATOM 0 HA LEU A 81 12.973 -1.612 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.107 -3.586 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.407 -3.996 1.919 1.00 0.00 H new ATOM 0 HG LEU A 81 14.921 -4.400 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.820 -4.640 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.701 -5.322 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.961 -3.745 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.352 -2.737 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.592 -1.717 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.341 -2.041 -0.686 1.00 0.00 H new ATOM 1287 N LYS A 82 14.256 -1.534 4.096 1.00 0.00 N ATOM 1288 CA LYS A 82 13.934 -1.342 5.500 1.00 0.00 C ATOM 1289 C LYS A 82 13.268 0.023 5.684 1.00 0.00 C ATOM 1290 O LYS A 82 12.351 0.167 6.491 1.00 0.00 O ATOM 1291 CB LYS A 82 15.179 -1.540 6.367 1.00 0.00 C ATOM 1292 CG LYS A 82 14.856 -2.373 7.609 1.00 0.00 C ATOM 1293 CD LYS A 82 15.172 -3.852 7.375 1.00 0.00 C ATOM 1294 CE LYS A 82 14.882 -4.680 8.629 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.276 -6.091 8.421 1.00 0.00 N ATOM 0 H LYS A 82 15.253 -1.523 3.881 1.00 0.00 H new ATOM 0 HA LYS A 82 13.219 -2.094 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.957 -2.035 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.575 -0.570 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.432 -2.004 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.802 -2.259 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.578 -4.227 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.220 -3.964 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.425 -4.266 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.821 -4.625 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.072 -6.639 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.739 -6.487 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.294 -6.140 8.212 1.00 0.00 H new ATOM 1308 N LYS A 83 13.756 0.991 4.922 1.00 0.00 N ATOM 1309 CA LYS A 83 13.219 2.340 4.990 1.00 0.00 C ATOM 1310 C LYS A 83 11.734 2.312 4.623 1.00 0.00 C ATOM 1311 O LYS A 83 10.896 2.811 5.373 1.00 0.00 O ATOM 1312 CB LYS A 83 14.049 3.291 4.126 1.00 0.00 C ATOM 1313 CG LYS A 83 14.377 4.577 4.887 1.00 0.00 C ATOM 1314 CD LYS A 83 13.172 5.519 4.918 1.00 0.00 C ATOM 1315 CE LYS A 83 13.214 6.423 6.152 1.00 0.00 C ATOM 1316 NZ LYS A 83 11.981 7.236 6.241 1.00 0.00 N ATOM 0 H LYS A 83 14.517 0.868 4.254 1.00 0.00 H new ATOM 0 HA LYS A 83 13.289 2.728 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.973 2.799 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.501 3.533 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.679 4.334 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.222 5.078 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.160 6.130 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.251 4.937 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.322 5.816 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.085 7.077 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.026 7.844 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.894 7.829 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.155 6.608 6.311 1.00 0.00 H new ATOM 1329 N VAL A 84 11.453 1.724 3.469 1.00 0.00 N ATOM 1330 CA VAL A 84 10.084 1.625 2.994 1.00 0.00 C ATOM 1331 C VAL A 84 9.282 0.732 3.943 1.00 0.00 C ATOM 1332 O VAL A 84 8.119 1.011 4.229 1.00 0.00 O ATOM 1333 CB VAL A 84 10.067 1.127 1.547 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.043 1.926 0.681 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.374 -0.371 1.479 1.00 0.00 C ATOM 0 H VAL A 84 12.150 1.312 2.849 1.00 0.00 H new ATOM 0 HA VAL A 84 9.609 2.606 2.992 1.00 0.00 H new ATOM 0 HB VAL A 84 9.063 1.282 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.011 1.552 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.761 2.979 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.053 1.817 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.356 -0.699 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.361 -0.560 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.624 -0.922 2.047 1.00 0.00 H new ATOM 1345 N ILE A 85 9.936 -0.324 4.404 1.00 0.00 N ATOM 1346 CA ILE A 85 9.299 -1.260 5.315 1.00 0.00 C ATOM 1347 C ILE A 85 8.889 -0.523 6.592 1.00 0.00 C ATOM 1348 O ILE A 85 7.834 -0.799 7.161 1.00 0.00 O ATOM 1349 CB ILE A 85 10.206 -2.466 5.565 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.105 -3.475 4.420 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.904 -3.107 6.921 1.00 0.00 C ATOM 1352 CD1 ILE A 85 9.161 -4.623 4.781 1.00 0.00 C ATOM 0 H ILE A 85 10.901 -0.552 4.164 1.00 0.00 H new ATOM 0 HA ILE A 85 8.388 -1.662 4.872 1.00 0.00 H new ATOM 0 HB ILE A 85 11.238 -2.116 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.747 -2.975 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.094 -3.871 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.563 -3.962 7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.068 -2.377 7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.866 -3.440 6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.108 -5.326 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.535 -5.137 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.167 -4.226 4.985 1.00 0.00 H new ATOM 1364 N ALA A 86 9.744 0.401 7.005 1.00 0.00 N ATOM 1365 CA ALA A 86 9.484 1.179 8.204 1.00 0.00 C ATOM 1366 C ALA A 86 8.438 2.251 7.893 1.00 0.00 C ATOM 1367 O ALA A 86 7.716 2.695 8.785 1.00 0.00 O ATOM 1368 CB ALA A 86 10.795 1.776 8.719 1.00 0.00 C ATOM 0 H ALA A 86 10.618 0.628 6.530 1.00 0.00 H new ATOM 0 HA ALA A 86 9.082 0.545 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.600 2.360 9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.494 0.973 8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.226 2.422 7.954 1.00 0.00 H new ATOM 1374 N ASP A 87 8.389 2.636 6.627 1.00 0.00 N ATOM 1375 CA ASP A 87 7.443 3.648 6.188 1.00 0.00 C ATOM 1376 C ASP A 87 6.064 3.009 6.013 1.00 0.00 C ATOM 1377 O ASP A 87 5.043 3.678 6.160 1.00 0.00 O ATOM 1378 CB ASP A 87 7.861 4.246 4.843 1.00 0.00 C ATOM 1379 CG ASP A 87 7.976 5.772 4.822 1.00 0.00 C ATOM 1380 OD1 ASP A 87 9.078 6.327 4.701 1.00 0.00 O ATOM 1381 OD2 ASP A 87 6.858 6.405 4.938 1.00 0.00 O ATOM 0 H ASP A 87 8.989 2.265 5.890 1.00 0.00 H new ATOM 0 HA ASP A 87 7.418 4.436 6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.822 3.820 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.138 3.941 4.086 1.00 0.00 H new ATOM 1387 N ILE A 88 6.079 1.721 5.702 1.00 0.00 N ATOM 1388 CA ILE A 88 4.842 0.984 5.506 1.00 0.00 C ATOM 1389 C ILE A 88 4.351 0.453 6.854 1.00 0.00 C ATOM 1390 O ILE A 88 3.232 0.748 7.271 1.00 0.00 O ATOM 1391 CB ILE A 88 5.029 -0.104 4.447 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.753 -0.296 3.626 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.503 -1.413 5.084 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.082 -0.657 2.176 1.00 0.00 C ATOM 0 H ILE A 88 6.928 1.169 5.581 1.00 0.00 H new ATOM 0 HA ILE A 88 4.063 1.642 5.120 1.00 0.00 H new ATOM 0 HB ILE A 88 5.809 0.221 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.145 -1.083 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.159 0.618 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.628 -2.170 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.455 -1.248 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.763 -1.754 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.157 -0.788 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.669 0.143 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.655 -1.584 2.153 1.00 0.00 H new ATOM 1406 N TYR A 89 5.211 -0.322 7.498 1.00 0.00 N ATOM 1407 CA TYR A 89 4.879 -0.897 8.790 1.00 0.00 C ATOM 1408 C TYR A 89 5.845 -2.027 9.152 1.00 0.00 C ATOM 1409 O TYR A 89 6.337 -2.733 8.273 1.00 0.00 O ATOM 1410 CB TYR A 89 3.469 -1.473 8.645 1.00 0.00 C ATOM 1411 CG TYR A 89 3.304 -2.423 7.456 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.921 -3.657 7.469 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.539 -2.045 6.372 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.766 -4.551 6.350 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.384 -2.938 5.254 1.00 0.00 C ATOM 1416 CZ TYR A 89 3.005 -4.147 5.298 1.00 0.00 C ATOM 1417 OH TYR A 89 2.859 -4.991 4.242 1.00 0.00 O ATOM 0 H TYR A 89 6.138 -0.565 7.149 1.00 0.00 H new ATOM 0 HA TYR A 89 4.944 -0.143 9.574 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.209 -2.004 9.560 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.761 -0.651 8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.520 -3.953 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.056 -1.079 6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.243 -5.520 6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.788 -2.654 4.399 1.00 0.00 H new ATOM 0 HH TYR A 89 2.596 -5.878 4.566 1.00 0.00 H new ATOM 1427 N PRO A 90 6.093 -2.167 10.482 1.00 0.00 N ATOM 1428 CA PRO A 90 6.991 -3.200 10.971 1.00 0.00 C ATOM 1429 C PRO A 90 6.325 -4.576 10.915 1.00 0.00 C ATOM 1430 O PRO A 90 5.196 -4.705 10.446 1.00 0.00 O ATOM 1431 CB PRO A 90 7.351 -2.771 12.384 1.00 0.00 C ATOM 1432 CG PRO A 90 6.285 -1.770 12.800 1.00 0.00 C ATOM 1433 CD PRO A 90 5.528 -1.350 11.551 1.00 0.00 C ATOM 0 HA PRO A 90 7.888 -3.303 10.360 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.368 -3.626 13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.343 -2.320 12.415 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.606 -2.216 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.741 -0.904 13.280 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.458 -1.525 11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.658 -0.287 11.348 1.00 0.00 H new ATOM 1441 N GLY A 91 7.054 -5.571 11.400 1.00 0.00 N ATOM 1442 CA GLY A 91 6.549 -6.933 11.411 1.00 0.00 C ATOM 1443 C GLY A 91 6.774 -7.612 10.058 1.00 0.00 C ATOM 1444 O GLY A 91 6.287 -7.138 9.033 1.00 0.00 O ATOM 0 H GLY A 91 7.991 -5.460 11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.047 -7.503 12.195 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.485 -6.928 11.647 1.00 0.00 H new ATOM 1448 N GLN A 92 7.512 -8.712 10.100 1.00 0.00 N ATOM 1449 CA GLN A 92 7.807 -9.461 8.890 1.00 0.00 C ATOM 1450 C GLN A 92 6.931 -10.713 8.814 1.00 0.00 C ATOM 1451 O GLN A 92 7.428 -11.831 8.945 1.00 0.00 O ATOM 1452 CB GLN A 92 9.291 -9.825 8.819 1.00 0.00 C ATOM 1453 CG GLN A 92 9.542 -10.901 7.761 1.00 0.00 C ATOM 1454 CD GLN A 92 9.957 -12.223 8.411 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.425 -12.270 9.537 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.759 -13.290 7.643 1.00 0.00 N ATOM 0 H GLN A 92 7.914 -9.102 10.952 1.00 0.00 H new ATOM 0 HA GLN A 92 7.580 -8.830 8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.876 -8.936 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.629 -10.181 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.640 -11.051 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.322 -10.568 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.363 -13.180 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.003 -14.219 7.987 1.00 0.00 H new ATOM 1465 N THR A 93 5.644 -10.484 8.604 1.00 0.00 N ATOM 1466 CA THR A 93 4.694 -11.580 8.509 1.00 0.00 C ATOM 1467 C THR A 93 3.614 -11.262 7.474 1.00 0.00 C ATOM 1468 O THR A 93 3.255 -10.101 7.282 1.00 0.00 O ATOM 1469 CB THR A 93 4.136 -11.844 9.909 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.193 -10.794 10.110 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.178 -11.624 11.007 1.00 0.00 C ATOM 0 H THR A 93 5.236 -9.555 8.497 1.00 0.00 H new ATOM 0 HA THR A 93 5.176 -12.492 8.158 1.00 0.00 H new ATOM 0 HB THR A 93 3.763 -12.867 9.964 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.781 -10.889 10.994 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.729 -11.825 11.980 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.020 -12.298 10.850 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.528 -10.592 10.975 1.00 0.00 H new ATOM 1479 N GLN A 94 3.125 -12.313 6.833 1.00 0.00 N ATOM 1480 CA GLN A 94 2.092 -12.161 5.822 1.00 0.00 C ATOM 1481 C GLN A 94 0.795 -11.658 6.460 1.00 0.00 C ATOM 1482 O GLN A 94 0.607 -11.779 7.669 1.00 0.00 O ATOM 1483 CB GLN A 94 1.862 -13.474 5.072 1.00 0.00 C ATOM 1484 CG GLN A 94 1.399 -14.577 6.026 1.00 0.00 C ATOM 1485 CD GLN A 94 1.629 -15.961 5.415 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.736 -16.471 5.367 1.00 0.00 O ATOM 1487 NE2 GLN A 94 0.523 -16.539 4.954 1.00 0.00 N ATOM 0 H GLN A 94 3.425 -13.274 6.994 1.00 0.00 H new ATOM 0 HA GLN A 94 2.427 -11.420 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.115 -13.325 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.783 -13.780 4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.939 -14.497 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.341 -14.447 6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.373 -16.056 5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.571 -17.465 4.529 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.065 -11.105 5.618 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.339 -10.584 6.084 1.00 0.00 C ATOM 1498 C PHE A 95 -2.294 -10.344 4.913 1.00 0.00 C ATOM 1499 O PHE A 95 -1.957 -10.625 3.764 1.00 0.00 O ATOM 1500 CB PHE A 95 -1.050 -9.249 6.773 1.00 0.00 C ATOM 1501 CG PHE A 95 -1.343 -9.249 8.275 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -2.513 -9.763 8.740 1.00 0.00 C ATOM 1503 CD2 PHE A 95 -0.433 -8.734 9.145 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -2.785 -9.763 10.134 1.00 0.00 C ATOM 1505 CE2 PHE A 95 -0.705 -8.734 10.539 1.00 0.00 C ATOM 1506 CZ PHE A 95 -1.875 -9.248 11.004 1.00 0.00 C ATOM 0 H PHE A 95 0.095 -11.006 4.616 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.809 -11.298 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.003 -8.990 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.645 -8.470 6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.236 -10.171 8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.496 -8.325 8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.714 -10.172 10.503 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.018 -8.326 11.230 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.082 -9.247 12.064 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.468 -9.826 5.245 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.474 -9.544 4.236 1.00 0.00 C ATOM 1518 C TYR A 96 -3.953 -8.539 3.207 1.00 0.00 C ATOM 1519 O TYR A 96 -3.378 -7.514 3.571 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.658 -8.925 4.982 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.927 -9.779 4.951 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.919 -11.048 5.493 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -8.081 -9.279 4.383 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.114 -11.851 5.465 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.276 -10.083 4.354 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.233 -11.329 4.897 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.362 -12.087 4.870 1.00 0.00 O ATOM 0 H TYR A 96 -3.744 -9.594 6.199 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.746 -10.454 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.372 -8.755 6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.878 -7.950 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.016 -11.439 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.088 -8.285 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.121 -12.846 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.185 -9.705 3.911 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.083 -11.585 4.435 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.172 -8.867 1.942 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.732 -8.006 0.858 1.00 0.00 C ATOM 1539 C VAL A 97 -4.954 -7.467 0.112 1.00 0.00 C ATOM 1540 O VAL A 97 -5.909 -8.202 -0.135 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.763 -8.763 -0.052 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.503 -7.987 -1.344 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.453 -9.069 0.677 1.00 0.00 C ATOM 0 H VAL A 97 -4.649 -9.718 1.644 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.186 -7.148 1.250 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.228 -9.712 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.811 -8.548 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.443 -7.843 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.070 -7.016 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.782 -9.608 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.983 -8.136 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.659 -9.682 1.554 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.885 -6.187 -0.225 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.974 -5.541 -0.938 1.00 0.00 C ATOM 1555 C ILE A 98 -5.427 -4.876 -2.202 1.00 0.00 C ATOM 1556 O ILE A 98 -4.680 -3.902 -2.122 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.724 -4.581 -0.013 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.856 -5.165 1.395 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.083 -4.199 -0.604 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.741 -6.413 1.390 1.00 0.00 C ATOM 0 H ILE A 98 -4.092 -5.580 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.710 -6.278 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.140 -3.665 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.869 -5.417 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.280 -4.417 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.595 -3.516 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.937 -3.712 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.686 -5.097 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.818 -6.808 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.735 -6.153 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.301 -7.168 0.738 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.820 -5.428 -3.340 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.378 -4.900 -4.620 1.00 0.00 C ATOM 1574 C GLU A 99 -6.428 -3.944 -5.191 1.00 0.00 C ATOM 1575 O GLU A 99 -7.627 -4.187 -5.066 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.074 -6.032 -5.604 1.00 0.00 C ATOM 1577 CG GLU A 99 -3.947 -5.638 -6.561 1.00 0.00 C ATOM 1578 CD GLU A 99 -3.684 -6.745 -7.584 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.628 -7.240 -8.218 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -2.447 -7.088 -7.711 1.00 0.00 O ATOM 0 H GLU A 99 -6.440 -6.236 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.455 -4.342 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.792 -6.930 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.971 -6.275 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.210 -4.715 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.037 -5.438 -5.995 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.938 -2.878 -5.806 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.819 -1.884 -6.396 1.00 0.00 C ATOM 1590 C PHE A 100 -6.192 -1.273 -7.651 1.00 0.00 C ATOM 1591 O PHE A 100 -5.035 -1.545 -7.968 1.00 0.00 O ATOM 1592 CB PHE A 100 -7.016 -0.784 -5.352 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.717 -0.302 -4.703 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.738 0.249 -5.469 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.542 -0.424 -3.360 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.532 0.696 -4.867 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.336 0.023 -2.757 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.357 0.574 -3.524 1.00 0.00 C ATOM 0 H PHE A 100 -4.943 -2.681 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.764 -2.347 -6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.512 0.065 -5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.684 -1.152 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.878 0.347 -6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.320 -0.861 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.754 1.133 -5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.196 -0.075 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.440 0.915 -3.066 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.985 -0.459 -8.333 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.523 0.193 -9.546 1.00 0.00 C ATOM 1610 C LYS A 101 -7.166 1.577 -9.653 1.00 0.00 C ATOM 1611 O LYS A 101 -8.234 1.814 -9.091 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.776 -0.699 -10.763 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.211 -0.540 -11.270 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.397 -1.241 -12.617 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.763 -0.912 -13.222 1.00 0.00 C ATOM 1616 NZ LYS A 101 -10.772 -1.908 -12.797 1.00 0.00 N ATOM 0 H LYS A 101 -7.945 -0.236 -8.068 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.444 0.345 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.075 -0.443 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.593 -1.741 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.906 -0.955 -10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.450 0.519 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.608 -0.934 -13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.303 -2.319 -12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.074 0.085 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.692 -0.899 -14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.693 -1.670 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.481 -2.854 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.852 -1.901 -11.760 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.489 2.455 -10.379 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.982 3.809 -10.568 1.00 0.00 C ATOM 1631 C CYS A 102 -7.827 3.840 -11.842 1.00 0.00 C ATOM 1632 O CYS A 102 -7.360 3.450 -12.911 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.839 4.825 -10.616 1.00 0.00 C ATOM 1634 SG CYS A 102 -6.463 6.441 -11.203 1.00 0.00 S ATOM 0 H CYS A 102 -5.603 2.255 -10.843 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.600 4.096 -9.717 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.397 4.935 -9.626 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.051 4.467 -11.279 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.485 7.297 -11.238 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.058 4.306 -11.686 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.973 4.393 -12.812 1.00 0.00 C ATOM 1642 C LEU A 103 -9.541 5.540 -13.727 1.00 0.00 C ATOM 1643 O LEU A 103 -10.379 6.191 -14.350 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.417 4.509 -12.320 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.842 3.507 -11.244 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.996 4.060 -10.405 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.182 2.149 -11.862 1.00 0.00 C ATOM 0 H LEU A 103 -9.443 4.627 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.935 3.480 -13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.567 5.516 -11.930 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.082 4.396 -13.176 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.999 3.352 -10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.279 3.328 -9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.682 4.983 -9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.851 4.263 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.481 1.456 -11.076 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.001 2.267 -12.572 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.307 1.755 -12.379 1.00 0.00 H new TER 1659 LEU A 103