USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 930 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 59 MET CE :methyl -168:sc= -1.19 (180deg=-1.84) USER MOD Set 1.2: A 115 HIS : no HD1:sc= -7.39! K(o=-8.6!,f=-6.5) USER MOD Set 2.1: A 53 HIS : no HD1:sc= -0.771 K(o=0.19,f=-10!) USER MOD Set 2.2: A 99 TYR OH : rot 125:sc= 0.96 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -147:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 68 ASN : amide:sc= -0.162 K(o=1.2,f=-8.3!) USER MOD Set 3.3: A 76 HIS : no HE2:sc= 0.293 K(o=1.2,f=-1.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 10 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-1.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -0.282 (180deg=-0.282) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -138:sc= -1.35 (180deg=-1.43) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.306 K(o=-0.31,f=-5.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.264 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 0:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.025) USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0.965 K(o=0.96,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 95 THR OG1 : rot 83:sc= 0.375 USER MOD Single : A 97 THR OG1 : rot 124:sc= 0.306 USER MOD Single : A 100 CYS SG : rot 180:sc= -0.245 USER MOD Single : A 101 SER OG : rot 94:sc= 0.527 USER MOD Single : A 102 THR OG1 : rot 86:sc= 0.952 USER MOD Single : A 104 MET CE :methyl 170:sc= -2.17! (180deg=-2.28) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 161:sc= 1.01 USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 0.91 (180deg=0.844) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 CYS SG : rot 180:sc= -0.946 USER MOD Single : A 121 LYS NZ :NH3+ -146:sc= 1.83 (180deg=0.854) USER MOD ----------------------------------------------------------------- ATOM 38 N GLY A 4 -2.968 5.198 2.295 1.00 0.00 N ATOM 39 CA GLY A 4 -3.913 5.494 3.365 1.00 0.00 C ATOM 40 C GLY A 4 -3.380 6.575 4.290 1.00 0.00 C ATOM 41 O GLY A 4 -3.193 6.341 5.482 1.00 0.00 O ATOM 0 HA2 GLY A 4 -4.862 5.815 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.112 4.588 3.938 1.00 0.00 H new ATOM 45 N ASP A 5 -3.149 7.760 3.725 1.00 0.00 N ATOM 46 CA ASP A 5 -2.659 8.915 4.449 1.00 0.00 C ATOM 47 C ASP A 5 -2.884 10.164 3.603 1.00 0.00 C ATOM 48 O ASP A 5 -3.454 11.139 4.097 1.00 0.00 O ATOM 49 CB ASP A 5 -1.152 8.746 4.770 1.00 0.00 C ATOM 50 CG ASP A 5 -0.692 9.848 5.712 1.00 0.00 C ATOM 51 OD1 ASP A 5 -1.115 9.794 6.887 1.00 0.00 O ATOM 52 OD2 ASP A 5 0.029 10.751 5.241 1.00 0.00 O ATOM 0 H ASP A 5 -3.303 7.939 2.733 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.199 9.012 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.976 7.771 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.570 8.778 3.849 1.00 0.00 H new ATOM 57 N THR A 6 -2.427 10.081 2.342 1.00 0.00 N ATOM 58 CA THR A 6 -2.457 11.058 1.264 1.00 0.00 C ATOM 59 C THR A 6 -2.063 12.452 1.718 1.00 0.00 C ATOM 60 O THR A 6 -1.421 12.587 2.754 1.00 0.00 O ATOM 61 CB THR A 6 -3.702 10.942 0.393 1.00 0.00 C ATOM 62 OG1 THR A 6 -3.513 11.550 -0.870 1.00 0.00 O ATOM 63 CG2 THR A 6 -4.830 11.640 1.100 1.00 0.00 C ATOM 0 H THR A 6 -1.976 9.222 2.027 1.00 0.00 H new ATOM 0 HA THR A 6 -1.658 10.804 0.567 1.00 0.00 H new ATOM 0 HB THR A 6 -3.920 9.886 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.330 11.456 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.735 11.572 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.002 11.167 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.572 12.688 1.250 1.00 0.00 H new ATOM 71 N PHE A 7 -2.363 13.459 0.888 1.00 0.00 N ATOM 72 CA PHE A 7 -1.882 14.818 1.060 1.00 0.00 C ATOM 73 C PHE A 7 -2.943 15.858 0.777 1.00 0.00 C ATOM 74 O PHE A 7 -4.095 15.489 0.560 1.00 0.00 O ATOM 75 CB PHE A 7 -0.597 14.892 0.239 1.00 0.00 C ATOM 76 CG PHE A 7 0.241 13.610 0.520 1.00 0.00 C ATOM 77 CD1 PHE A 7 0.979 13.466 1.723 1.00 0.00 C ATOM 78 CD2 PHE A 7 0.219 12.503 -0.368 1.00 0.00 C ATOM 79 CE1 PHE A 7 1.712 12.297 1.992 1.00 0.00 C ATOM 80 CE2 PHE A 7 0.956 11.338 -0.096 1.00 0.00 C ATOM 81 CZ PHE A 7 1.715 11.237 1.077 1.00 0.00 C ATOM 0 H PHE A 7 -2.957 13.341 0.067 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.647 15.064 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.830 14.968 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.028 15.783 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.978 14.269 2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.375 12.557 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.276 12.216 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.937 10.515 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.298 10.349 1.274 1.00 0.00 H new ATOM 91 N ILE A 8 -2.581 17.149 0.842 1.00 0.00 N ATOM 92 CA ILE A 8 -3.551 18.224 0.711 1.00 0.00 C ATOM 93 C ILE A 8 -3.205 19.335 -0.267 1.00 0.00 C ATOM 94 O ILE A 8 -2.053 19.510 -0.656 1.00 0.00 O ATOM 95 CB ILE A 8 -3.850 18.742 2.130 1.00 0.00 C ATOM 96 CG1 ILE A 8 -4.752 17.670 2.757 1.00 0.00 C ATOM 97 CG2 ILE A 8 -4.480 20.141 2.220 1.00 0.00 C ATOM 98 CD1 ILE A 8 -5.221 18.093 4.122 1.00 0.00 C ATOM 0 H ILE A 8 -1.621 17.464 0.985 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.442 17.807 0.243 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.910 18.888 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.612 17.491 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.207 16.729 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.645 20.399 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.810 20.872 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.433 20.146 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.858 17.316 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.359 18.248 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.786 19.022 4.041 1.00 0.00 H new ATOM 110 N ARG A 9 -4.253 20.089 -0.631 1.00 0.00 N ATOM 111 CA ARG A 9 -4.194 21.225 -1.519 1.00 0.00 C ATOM 112 C ARG A 9 -4.170 22.487 -0.662 1.00 0.00 C ATOM 113 O ARG A 9 -3.198 23.245 -0.727 1.00 0.00 O ATOM 114 CB ARG A 9 -5.411 21.192 -2.482 1.00 0.00 C ATOM 115 CG ARG A 9 -5.069 21.933 -3.780 1.00 0.00 C ATOM 116 CD ARG A 9 -6.276 21.946 -4.728 1.00 0.00 C ATOM 117 NE ARG A 9 -5.905 22.386 -6.082 1.00 0.00 N ATOM 118 CZ ARG A 9 -5.661 23.653 -6.463 1.00 0.00 C ATOM 119 NH1 ARG A 9 -5.722 24.655 -5.577 1.00 0.00 N ATOM 120 NH2 ARG A 9 -5.352 23.911 -7.740 1.00 0.00 N ATOM 0 H ARG A 9 -5.197 19.904 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.296 21.204 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.683 20.160 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.275 21.655 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.767 22.955 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.222 21.451 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.710 20.947 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.044 22.608 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.825 21.664 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.955 24.461 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.535 25.612 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.303 23.149 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.166 24.869 -8.036 1.00 0.00 H new ATOM 134 N HIS A 10 -5.230 22.717 0.132 1.00 0.00 N ATOM 135 CA HIS A 10 -5.318 23.927 0.952 1.00 0.00 C ATOM 136 C HIS A 10 -6.450 23.975 1.995 1.00 0.00 C ATOM 137 O HIS A 10 -7.286 23.066 2.076 1.00 0.00 O ATOM 138 CB HIS A 10 -5.464 25.136 -0.008 1.00 0.00 C ATOM 139 CG HIS A 10 -6.888 25.597 -0.249 1.00 0.00 C ATOM 140 ND1 HIS A 10 -7.898 24.719 -0.610 1.00 0.00 N ATOM 141 CD2 HIS A 10 -7.500 26.827 -0.179 1.00 0.00 C ATOM 142 CE1 HIS A 10 -9.031 25.433 -0.731 1.00 0.00 C ATOM 143 NE2 HIS A 10 -8.854 26.727 -0.483 1.00 0.00 N ATOM 0 H HIS A 10 -6.027 22.086 0.220 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.405 23.945 1.548 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.891 25.971 0.395 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.016 24.875 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.997 27.747 0.078 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.983 25.001 -1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.549 27.473 -0.509 1.00 0.00 H new ATOM 151 N ILE A 11 -6.461 25.091 2.759 1.00 0.00 N ATOM 152 CA ILE A 11 -7.437 25.432 3.786 1.00 0.00 C ATOM 153 C ILE A 11 -8.311 26.619 3.347 1.00 0.00 C ATOM 154 O ILE A 11 -7.838 27.503 2.637 1.00 0.00 O ATOM 155 CB ILE A 11 -6.787 25.784 5.141 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.399 25.167 5.370 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.786 25.461 6.267 1.00 0.00 C ATOM 158 CD1 ILE A 11 -4.953 25.205 6.840 1.00 0.00 C ATOM 0 H ILE A 11 -5.744 25.809 2.660 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.047 24.538 3.917 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.575 26.853 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.408 24.133 5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.668 25.699 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.339 25.705 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.693 26.049 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.034 24.400 6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.965 24.754 6.932 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.913 26.239 7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.664 24.649 7.451 1.00 0.00 H new ATOM 170 N ALA A 12 -9.566 26.660 3.806 1.00 0.00 N ATOM 171 CA ALA A 12 -10.555 27.703 3.593 1.00 0.00 C ATOM 172 C ALA A 12 -11.309 27.785 4.922 1.00 0.00 C ATOM 173 O ALA A 12 -11.111 26.924 5.783 1.00 0.00 O ATOM 174 CB ALA A 12 -11.473 27.332 2.423 1.00 0.00 C ATOM 0 H ALA A 12 -9.938 25.903 4.379 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.119 28.665 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.209 28.122 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.878 27.215 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.985 26.396 2.645 1.00 0.00 H new ATOM 180 N LEU A 13 -12.165 28.794 5.124 1.00 0.00 N ATOM 181 CA LEU A 13 -12.901 28.902 6.382 1.00 0.00 C ATOM 182 C LEU A 13 -14.340 29.283 6.108 1.00 0.00 C ATOM 183 O LEU A 13 -14.604 30.059 5.192 1.00 0.00 O ATOM 184 CB LEU A 13 -12.126 29.823 7.346 1.00 0.00 C ATOM 185 CG LEU A 13 -12.303 29.682 8.890 1.00 0.00 C ATOM 186 CD1 LEU A 13 -10.985 30.229 9.420 1.00 0.00 C ATOM 187 CD2 LEU A 13 -13.394 30.487 9.609 1.00 0.00 C ATOM 0 H LEU A 13 -12.360 29.531 4.447 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.970 27.944 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.065 29.694 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.382 30.850 7.085 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.588 28.646 9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.984 30.184 10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.160 29.631 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.865 31.264 9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.369 30.262 10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.219 31.552 9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.370 30.219 9.205 1.00 0.00 H new ATOM 199 N LEU A 14 -15.261 28.695 6.883 1.00 0.00 N ATOM 200 CA LEU A 14 -16.686 28.928 6.685 1.00 0.00 C ATOM 201 C LEU A 14 -17.139 30.046 7.592 1.00 0.00 C ATOM 202 O LEU A 14 -17.763 31.000 7.129 1.00 0.00 O ATOM 203 CB LEU A 14 -17.488 27.626 6.929 1.00 0.00 C ATOM 204 CG LEU A 14 -18.333 27.291 5.684 1.00 0.00 C ATOM 205 CD1 LEU A 14 -17.457 26.981 4.445 1.00 0.00 C ATOM 206 CD2 LEU A 14 -19.281 26.133 6.018 1.00 0.00 C ATOM 0 H LEU A 14 -15.040 28.058 7.648 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.870 29.228 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.806 26.804 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.135 27.744 7.798 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.922 28.168 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.098 26.751 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.839 27.848 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.816 26.126 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.882 25.891 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.699 25.259 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.937 26.425 6.838 1.00 0.00 H new ATOM 218 N GLY A 15 -16.809 29.938 8.876 1.00 0.00 N ATOM 219 CA GLY A 15 -17.193 31.030 9.764 1.00 0.00 C ATOM 220 C GLY A 15 -17.180 30.739 11.256 1.00 0.00 C ATOM 221 O GLY A 15 -16.156 30.359 11.817 1.00 0.00 O ATOM 0 H GLY A 15 -16.309 29.159 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.525 31.871 9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.197 31.353 9.490 1.00 0.00 H new ATOM 225 N PHE A 16 -18.337 30.954 11.890 1.00 0.00 N ATOM 226 CA PHE A 16 -18.536 30.812 13.322 1.00 0.00 C ATOM 227 C PHE A 16 -18.953 29.373 13.656 1.00 0.00 C ATOM 228 O PHE A 16 -18.923 28.516 12.779 1.00 0.00 O ATOM 229 CB PHE A 16 -19.600 31.832 13.770 1.00 0.00 C ATOM 230 CG PHE A 16 -21.031 31.546 13.239 1.00 0.00 C ATOM 231 CD1 PHE A 16 -21.445 31.989 11.957 1.00 0.00 C ATOM 232 CD2 PHE A 16 -21.971 30.822 14.016 1.00 0.00 C ATOM 233 CE1 PHE A 16 -22.741 31.723 11.480 1.00 0.00 C ATOM 234 CE2 PHE A 16 -23.264 30.559 13.534 1.00 0.00 C ATOM 235 CZ PHE A 16 -23.653 31.010 12.267 1.00 0.00 C ATOM 0 H PHE A 16 -19.183 31.241 11.398 1.00 0.00 H new ATOM 0 HA PHE A 16 -17.608 31.012 13.858 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.628 31.854 14.859 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -19.295 32.825 13.439 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.754 32.540 11.337 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -21.688 30.467 14.996 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.034 32.071 10.501 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -23.962 30.006 14.144 1.00 0.00 H new ATOM 0 HZ PHE A 16 -24.649 30.809 11.900 1.00 0.00 H new ATOM 245 N GLU A 17 -19.355 29.142 14.912 1.00 0.00 N ATOM 246 CA GLU A 17 -19.884 27.911 15.501 1.00 0.00 C ATOM 247 C GLU A 17 -20.299 28.190 16.953 1.00 0.00 C ATOM 248 O GLU A 17 -20.184 29.327 17.401 1.00 0.00 O ATOM 249 CB GLU A 17 -19.010 26.668 15.280 1.00 0.00 C ATOM 250 CG GLU A 17 -19.637 25.719 14.248 1.00 0.00 C ATOM 251 CD GLU A 17 -20.981 25.153 14.687 1.00 0.00 C ATOM 252 OE1 GLU A 17 -21.234 25.085 15.912 1.00 0.00 O ATOM 253 OE2 GLU A 17 -21.802 24.878 13.786 1.00 0.00 O ATOM 0 H GLU A 17 -19.313 29.887 15.607 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.783 27.621 14.958 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.020 26.973 14.942 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.876 26.143 16.226 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.766 26.252 13.306 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.949 24.895 14.057 1.00 0.00 H new ATOM 260 N LYS A 18 -20.832 27.185 17.665 1.00 0.00 N ATOM 261 CA LYS A 18 -21.384 27.298 19.008 1.00 0.00 C ATOM 262 C LYS A 18 -21.275 26.041 19.906 1.00 0.00 C ATOM 263 O LYS A 18 -22.066 25.108 19.789 1.00 0.00 O ATOM 264 CB LYS A 18 -22.853 27.729 18.862 1.00 0.00 C ATOM 265 CG LYS A 18 -23.746 26.667 18.188 1.00 0.00 C ATOM 266 CD LYS A 18 -24.692 27.232 17.117 1.00 0.00 C ATOM 267 CE LYS A 18 -24.054 27.218 15.722 1.00 0.00 C ATOM 268 NZ LYS A 18 -23.797 25.843 15.246 1.00 0.00 N ATOM 0 H LYS A 18 -20.889 26.235 17.298 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.774 28.032 19.535 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.256 27.956 19.849 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.896 28.650 18.280 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.109 25.909 17.732 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.339 26.167 18.954 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.612 26.647 17.101 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.968 28.253 17.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -24.711 27.729 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -23.117 27.775 15.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.366 25.878 14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -23.150 25.363 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.694 25.319 15.198 1.00 0.00 H new ATOM 282 N ARG A 19 -20.331 26.025 20.855 1.00 0.00 N ATOM 283 CA ARG A 19 -20.152 24.991 21.865 1.00 0.00 C ATOM 284 C ARG A 19 -20.166 25.760 23.180 1.00 0.00 C ATOM 285 O ARG A 19 -19.180 26.404 23.533 1.00 0.00 O ATOM 286 CB ARG A 19 -18.848 24.201 21.670 1.00 0.00 C ATOM 287 CG ARG A 19 -19.006 22.952 20.788 1.00 0.00 C ATOM 288 CD ARG A 19 -19.881 21.833 21.387 1.00 0.00 C ATOM 289 NE ARG A 19 -19.447 21.425 22.737 1.00 0.00 N ATOM 290 CZ ARG A 19 -19.143 20.184 23.166 1.00 0.00 C ATOM 291 NH1 ARG A 19 -19.208 19.104 22.380 1.00 0.00 N ATOM 292 NH2 ARG A 19 -18.738 20.019 24.425 1.00 0.00 N ATOM 0 H ARG A 19 -19.641 26.772 20.938 1.00 0.00 H new ATOM 0 HA ARG A 19 -20.930 24.229 21.818 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.100 24.857 21.225 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.467 23.900 22.646 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.434 23.254 19.832 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.016 22.546 20.580 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.916 22.172 21.431 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -19.857 20.967 20.726 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.368 22.171 23.428 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -19.498 19.198 21.407 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.967 18.186 22.754 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.662 20.825 25.046 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -18.504 19.087 24.767 1.00 0.00 H new ATOM 401 N TYR A 26 -17.196 29.941 22.166 1.00 0.00 N ATOM 402 CA TYR A 26 -17.613 29.662 20.793 1.00 0.00 C ATOM 403 C TYR A 26 -16.396 29.149 20.016 1.00 0.00 C ATOM 404 O TYR A 26 -15.253 29.369 20.418 1.00 0.00 O ATOM 405 CB TYR A 26 -18.270 30.874 20.099 1.00 0.00 C ATOM 406 CG TYR A 26 -19.821 30.943 20.194 1.00 0.00 C ATOM 407 CD1 TYR A 26 -20.530 30.381 21.290 1.00 0.00 C ATOM 408 CD2 TYR A 26 -20.593 31.564 19.177 1.00 0.00 C ATOM 409 CE1 TYR A 26 -21.931 30.446 21.363 1.00 0.00 C ATOM 410 CE2 TYR A 26 -21.995 31.624 19.256 1.00 0.00 C ATOM 411 CZ TYR A 26 -22.666 31.068 20.349 1.00 0.00 C ATOM 412 OH TYR A 26 -24.026 31.131 20.419 1.00 0.00 O ATOM 0 HA TYR A 26 -18.391 28.899 20.814 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -17.856 31.785 20.531 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -17.988 30.864 19.046 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -19.981 29.894 22.082 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.092 31.999 18.325 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -22.444 30.012 22.208 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -22.557 32.102 18.468 1.00 0.00 H new ATOM 0 HH TYR A 26 -24.373 31.599 19.631 1.00 0.00 H new ATOM 422 N VAL A 27 -16.653 28.436 18.917 1.00 0.00 N ATOM 423 CA VAL A 27 -15.632 27.824 18.081 1.00 0.00 C ATOM 424 C VAL A 27 -15.888 28.266 16.635 1.00 0.00 C ATOM 425 O VAL A 27 -16.985 28.751 16.371 1.00 0.00 O ATOM 426 CB VAL A 27 -15.651 26.300 18.356 1.00 0.00 C ATOM 427 CG1 VAL A 27 -15.510 26.000 19.857 1.00 0.00 C ATOM 428 CG2 VAL A 27 -16.896 25.590 17.828 1.00 0.00 C ATOM 0 H VAL A 27 -17.601 28.267 18.581 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.613 28.142 18.301 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.793 25.909 17.809 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.527 24.922 20.016 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.566 26.406 20.222 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.336 26.460 20.399 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.834 24.527 18.060 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.783 26.013 18.299 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.960 25.723 16.748 1.00 0.00 H new ATOM 438 N TYR A 28 -14.918 28.146 15.708 1.00 0.00 N ATOM 439 CA TYR A 28 -15.051 28.558 14.326 1.00 0.00 C ATOM 440 C TYR A 28 -15.152 27.386 13.359 1.00 0.00 C ATOM 441 O TYR A 28 -14.375 26.434 13.454 1.00 0.00 O ATOM 442 CB TYR A 28 -13.947 29.529 13.840 1.00 0.00 C ATOM 443 CG TYR A 28 -12.707 29.809 14.669 1.00 0.00 C ATOM 444 CD1 TYR A 28 -11.964 28.763 15.229 1.00 0.00 C ATOM 445 CD2 TYR A 28 -12.279 31.137 14.866 1.00 0.00 C ATOM 446 CE1 TYR A 28 -10.837 29.037 16.022 1.00 0.00 C ATOM 447 CE2 TYR A 28 -11.147 31.414 15.650 1.00 0.00 C ATOM 448 CZ TYR A 28 -10.430 30.363 16.241 1.00 0.00 C ATOM 449 OH TYR A 28 -9.331 30.630 17.000 1.00 0.00 O ATOM 0 H TYR A 28 -14.003 27.748 15.920 1.00 0.00 H new ATOM 0 HA TYR A 28 -15.995 29.104 14.319 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -13.604 29.158 12.874 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -14.429 30.490 13.659 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -12.259 27.739 15.050 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.826 31.949 14.410 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.281 28.224 16.465 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.829 32.435 15.798 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.193 31.599 17.047 1.00 0.00 H new ATOM 459 N MET A 29 -16.095 27.484 12.409 1.00 0.00 N ATOM 460 CA MET A 29 -16.269 26.468 11.385 1.00 0.00 C ATOM 461 C MET A 29 -15.138 26.585 10.346 1.00 0.00 C ATOM 462 O MET A 29 -14.982 27.640 9.721 1.00 0.00 O ATOM 463 CB MET A 29 -17.663 26.570 10.767 1.00 0.00 C ATOM 464 CG MET A 29 -17.911 25.425 9.797 1.00 0.00 C ATOM 465 SD MET A 29 -17.868 23.815 10.607 1.00 0.00 S ATOM 466 CE MET A 29 -17.530 22.853 9.138 1.00 0.00 C ATOM 0 H MET A 29 -16.747 28.265 12.337 1.00 0.00 H new ATOM 0 HA MET A 29 -16.200 25.474 11.827 1.00 0.00 H new ATOM 0 HB2 MET A 29 -18.416 26.555 11.555 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.766 27.522 10.246 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.881 25.562 9.318 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.159 25.452 9.008 1.00 0.00 H new ATOM 0 HE1 MET A 29 -18.135 21.946 9.150 1.00 0.00 H new ATOM 0 HE2 MET A 29 -17.775 23.441 8.254 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.474 22.584 9.114 1.00 0.00 H new ATOM 476 N PHE A 30 -14.331 25.522 10.183 1.00 0.00 N ATOM 477 CA PHE A 30 -13.157 25.443 9.364 1.00 0.00 C ATOM 478 C PHE A 30 -13.391 24.528 8.155 1.00 0.00 C ATOM 479 O PHE A 30 -14.089 23.524 8.290 1.00 0.00 O ATOM 480 CB PHE A 30 -12.096 24.817 10.296 1.00 0.00 C ATOM 481 CG PHE A 30 -10.690 25.449 10.190 1.00 0.00 C ATOM 482 CD1 PHE A 30 -10.421 26.798 10.547 1.00 0.00 C ATOM 483 CD2 PHE A 30 -9.614 24.668 9.721 1.00 0.00 C ATOM 484 CE1 PHE A 30 -9.111 27.310 10.435 1.00 0.00 C ATOM 485 CE2 PHE A 30 -8.314 25.187 9.618 1.00 0.00 C ATOM 486 CZ PHE A 30 -8.060 26.512 9.975 1.00 0.00 C ATOM 0 H PHE A 30 -14.515 24.642 10.665 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.865 26.415 8.967 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.441 24.903 11.326 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.019 23.753 10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.220 27.431 10.904 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.795 23.643 9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.917 28.336 10.710 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.510 24.560 9.262 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.062 26.916 9.897 1.00 0.00 H new ATOM 496 N LEU A 31 -12.820 24.835 6.981 1.00 0.00 N ATOM 497 CA LEU A 31 -12.968 24.040 5.788 1.00 0.00 C ATOM 498 C LEU A 31 -11.649 23.491 5.246 1.00 0.00 C ATOM 499 O LEU A 31 -10.719 24.268 5.031 1.00 0.00 O ATOM 500 CB LEU A 31 -13.692 24.891 4.734 1.00 0.00 C ATOM 501 CG LEU A 31 -15.088 24.370 4.397 1.00 0.00 C ATOM 502 CD1 LEU A 31 -14.957 23.007 3.732 1.00 0.00 C ATOM 503 CD2 LEU A 31 -16.016 24.317 5.619 1.00 0.00 C ATOM 0 H LEU A 31 -12.235 25.660 6.848 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.554 23.156 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.771 25.916 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.092 24.919 3.824 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.559 25.071 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.948 22.625 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.369 23.102 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.460 22.316 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.993 23.939 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.588 23.656 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.127 25.318 6.035 1.00 0.00 H new ATOM 515 N VAL A 32 -11.563 22.168 4.995 1.00 0.00 N ATOM 516 CA VAL A 32 -10.373 21.559 4.422 1.00 0.00 C ATOM 517 C VAL A 32 -10.696 21.026 3.029 1.00 0.00 C ATOM 518 O VAL A 32 -11.743 20.399 2.845 1.00 0.00 O ATOM 519 CB VAL A 32 -9.711 20.547 5.359 1.00 0.00 C ATOM 520 CG1 VAL A 32 -10.676 19.681 6.159 1.00 0.00 C ATOM 521 CG2 VAL A 32 -8.690 19.672 4.625 1.00 0.00 C ATOM 0 H VAL A 32 -12.317 21.508 5.186 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.604 22.322 4.301 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.194 21.166 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.111 18.997 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.305 20.317 6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.303 19.109 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.243 18.967 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.189 19.122 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.910 20.303 4.198 1.00 0.00 H new ATOM 531 N LYS A 33 -9.804 21.278 2.051 1.00 0.00 N ATOM 532 CA LYS A 33 -10.020 20.811 0.693 1.00 0.00 C ATOM 533 C LYS A 33 -8.930 19.812 0.341 1.00 0.00 C ATOM 534 O LYS A 33 -7.777 20.221 0.190 1.00 0.00 O ATOM 535 CB LYS A 33 -10.133 21.970 -0.301 1.00 0.00 C ATOM 536 CG LYS A 33 -10.778 21.478 -1.606 1.00 0.00 C ATOM 537 CD LYS A 33 -11.160 22.645 -2.523 1.00 0.00 C ATOM 538 CE LYS A 33 -11.897 22.117 -3.761 1.00 0.00 C ATOM 539 NZ LYS A 33 -12.397 23.211 -4.616 1.00 0.00 N ATOM 0 H LYS A 33 -8.938 21.799 2.187 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.981 20.300 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.731 22.773 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.145 22.382 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.086 20.817 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.667 20.891 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.794 23.349 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.265 23.189 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.225 21.483 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.733 21.492 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.888 22.810 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.058 23.802 -4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.597 23.793 -4.938 1.00 0.00 H new ATOM 553 N TRP A 34 -9.272 18.516 0.213 1.00 0.00 N ATOM 554 CA TRP A 34 -8.268 17.527 -0.116 1.00 0.00 C ATOM 555 C TRP A 34 -8.247 17.359 -1.636 1.00 0.00 C ATOM 556 O TRP A 34 -9.256 17.640 -2.284 1.00 0.00 O ATOM 557 CB TRP A 34 -8.572 16.193 0.567 1.00 0.00 C ATOM 558 CG TRP A 34 -8.592 16.092 2.061 1.00 0.00 C ATOM 559 CD1 TRP A 34 -9.548 16.567 2.888 1.00 0.00 C ATOM 560 CD2 TRP A 34 -7.614 15.443 2.920 1.00 0.00 C ATOM 561 NE1 TRP A 34 -9.235 16.257 4.198 1.00 0.00 N ATOM 562 CE2 TRP A 34 -8.047 15.556 4.278 1.00 0.00 C ATOM 563 CE3 TRP A 34 -6.404 14.762 2.677 1.00 0.00 C ATOM 564 CZ2 TRP A 34 -7.314 15.015 5.351 1.00 0.00 C ATOM 565 CZ3 TRP A 34 -5.663 14.221 3.743 1.00 0.00 C ATOM 566 CH2 TRP A 34 -6.113 14.343 5.072 1.00 0.00 C ATOM 0 H TRP A 34 -10.217 18.150 0.332 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.292 17.859 0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.547 15.863 0.209 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.839 15.472 0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.427 17.109 2.572 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.808 16.513 5.002 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.043 14.655 1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -7.668 15.115 6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.736 13.705 3.540 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -5.533 13.919 5.878 1.00 0.00 H new ATOM 577 N GLN A 35 -7.124 16.901 -2.214 1.00 0.00 N ATOM 578 CA GLN A 35 -7.033 16.695 -3.669 1.00 0.00 C ATOM 579 C GLN A 35 -7.456 15.272 -4.058 1.00 0.00 C ATOM 580 O GLN A 35 -7.437 14.933 -5.239 1.00 0.00 O ATOM 581 CB GLN A 35 -5.603 17.055 -4.209 1.00 0.00 C ATOM 582 CG GLN A 35 -4.559 15.935 -4.089 1.00 0.00 C ATOM 583 CD GLN A 35 -4.162 15.687 -2.643 1.00 0.00 C ATOM 584 OE1 GLN A 35 -3.298 16.383 -2.118 1.00 0.00 O ATOM 585 NE2 GLN A 35 -4.797 14.714 -1.993 1.00 0.00 N ATOM 0 H GLN A 35 -6.274 16.668 -1.701 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.735 17.378 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.689 17.339 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.238 17.930 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.960 15.017 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.674 16.199 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.509 14.161 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.572 14.521 -1.017 1.00 0.00 H new ATOM 594 N ASP A 36 -7.822 14.449 -3.069 1.00 0.00 N ATOM 595 CA ASP A 36 -8.235 13.067 -3.212 1.00 0.00 C ATOM 596 C ASP A 36 -9.566 12.878 -2.490 1.00 0.00 C ATOM 597 O ASP A 36 -10.584 12.591 -3.117 1.00 0.00 O ATOM 598 CB ASP A 36 -7.104 12.181 -2.620 1.00 0.00 C ATOM 599 CG ASP A 36 -7.433 10.694 -2.626 1.00 0.00 C ATOM 600 OD1 ASP A 36 -8.297 10.289 -3.433 1.00 0.00 O ATOM 601 OD2 ASP A 36 -6.792 9.991 -1.816 1.00 0.00 O ATOM 0 H ASP A 36 -7.835 14.756 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.389 12.783 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.189 12.345 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.904 12.497 -1.596 1.00 0.00 H new ATOM 606 N LEU A 37 -9.569 13.072 -1.168 1.00 0.00 N ATOM 607 CA LEU A 37 -10.774 12.956 -0.359 1.00 0.00 C ATOM 608 C LEU A 37 -11.811 14.035 -0.705 1.00 0.00 C ATOM 609 O LEU A 37 -12.951 13.926 -0.257 1.00 0.00 O ATOM 610 CB LEU A 37 -10.445 12.980 1.133 1.00 0.00 C ATOM 611 CG LEU A 37 -9.736 11.724 1.717 1.00 0.00 C ATOM 612 CD1 LEU A 37 -8.303 11.580 1.204 1.00 0.00 C ATOM 613 CD2 LEU A 37 -9.725 11.837 3.231 1.00 0.00 C ATOM 0 H LEU A 37 -8.734 13.313 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.219 11.990 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.814 13.847 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.374 13.132 1.683 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.285 10.839 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.849 10.690 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.313 11.489 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.724 12.459 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.231 10.964 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.186 12.738 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.749 11.890 3.599 1.00 0.00 H new ATOM 625 N SER A 38 -11.443 15.064 -1.485 1.00 0.00 N ATOM 626 CA SER A 38 -12.344 16.151 -1.881 1.00 0.00 C ATOM 627 C SER A 38 -12.663 17.020 -0.662 1.00 0.00 C ATOM 628 O SER A 38 -11.874 17.098 0.282 1.00 0.00 O ATOM 629 CB SER A 38 -13.622 15.577 -2.557 1.00 0.00 C ATOM 630 OG SER A 38 -14.270 16.599 -3.288 1.00 0.00 O ATOM 0 H SER A 38 -10.500 15.163 -1.861 1.00 0.00 H new ATOM 0 HA SER A 38 -11.857 16.786 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.357 14.754 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.296 15.173 -1.801 1.00 0.00 H new ATOM 0 HG SER A 38 -15.074 16.236 -3.715 1.00 0.00 H new ATOM 636 N GLU A 39 -13.819 17.684 -0.701 1.00 0.00 N ATOM 637 CA GLU A 39 -14.286 18.569 0.343 1.00 0.00 C ATOM 638 C GLU A 39 -14.475 17.801 1.655 1.00 0.00 C ATOM 639 O GLU A 39 -15.056 16.716 1.654 1.00 0.00 O ATOM 640 CB GLU A 39 -15.606 19.283 -0.109 1.00 0.00 C ATOM 641 CG GLU A 39 -16.723 18.304 -0.501 1.00 0.00 C ATOM 642 CD GLU A 39 -17.963 19.059 -0.968 1.00 0.00 C ATOM 643 OE1 GLU A 39 -17.937 19.529 -2.126 1.00 0.00 O ATOM 644 OE2 GLU A 39 -18.906 19.167 -0.155 1.00 0.00 O ATOM 0 H GLU A 39 -14.467 17.612 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.535 19.338 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.960 19.922 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.388 19.932 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.373 17.644 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.975 17.672 0.351 1.00 0.00 H new ATOM 651 N LYS A 40 -13.991 18.355 2.776 1.00 0.00 N ATOM 652 CA LYS A 40 -14.134 17.754 4.095 1.00 0.00 C ATOM 653 C LYS A 40 -14.266 18.932 5.058 1.00 0.00 C ATOM 654 O LYS A 40 -13.546 19.919 4.909 1.00 0.00 O ATOM 655 CB LYS A 40 -12.945 16.845 4.445 1.00 0.00 C ATOM 656 CG LYS A 40 -12.882 15.533 3.646 1.00 0.00 C ATOM 657 CD LYS A 40 -14.070 14.603 3.940 1.00 0.00 C ATOM 658 CE LYS A 40 -13.938 13.299 3.147 1.00 0.00 C ATOM 659 NZ LYS A 40 -15.126 12.440 3.304 1.00 0.00 N ATOM 0 H LYS A 40 -13.486 19.241 2.785 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.003 17.098 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.021 17.399 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.989 16.606 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.860 15.762 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.953 15.014 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.113 14.384 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.003 15.102 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.792 13.529 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.052 12.759 3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.999 11.567 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.251 12.200 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.968 12.946 2.962 1.00 0.00 H new ATOM 673 N VAL A 41 -15.194 18.867 6.019 1.00 0.00 N ATOM 674 CA VAL A 41 -15.445 19.963 6.929 1.00 0.00 C ATOM 675 C VAL A 41 -14.917 19.639 8.325 1.00 0.00 C ATOM 676 O VAL A 41 -14.939 18.472 8.708 1.00 0.00 O ATOM 677 CB VAL A 41 -16.933 20.312 6.882 1.00 0.00 C ATOM 678 CG1 VAL A 41 -17.474 20.234 5.443 1.00 0.00 C ATOM 679 CG2 VAL A 41 -17.758 19.460 7.848 1.00 0.00 C ATOM 0 H VAL A 41 -15.785 18.051 6.178 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.899 20.855 6.623 1.00 0.00 H new ATOM 0 HB VAL A 41 -17.035 21.344 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -18.534 20.487 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.931 20.937 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.341 19.223 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.808 19.745 7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.649 18.407 7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.405 19.620 8.867 1.00 0.00 H new ATOM 689 N VAL A 42 -14.448 20.644 9.083 1.00 0.00 N ATOM 690 CA VAL A 42 -13.936 20.423 10.434 1.00 0.00 C ATOM 691 C VAL A 42 -14.175 21.668 11.283 1.00 0.00 C ATOM 692 O VAL A 42 -14.513 22.728 10.769 1.00 0.00 O ATOM 693 CB VAL A 42 -12.439 20.020 10.451 1.00 0.00 C ATOM 694 CG1 VAL A 42 -12.102 18.879 9.497 1.00 0.00 C ATOM 695 CG2 VAL A 42 -11.496 21.187 10.147 1.00 0.00 C ATOM 0 H VAL A 42 -14.415 21.617 8.777 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.482 19.581 10.859 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.281 19.684 11.476 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.038 18.652 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.679 17.995 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.347 19.173 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.464 20.838 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.718 21.586 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.634 21.970 10.893 1.00 0.00 H new ATOM 705 N TYR A 43 -14.011 21.539 12.596 1.00 0.00 N ATOM 706 CA TYR A 43 -14.232 22.588 13.557 1.00 0.00 C ATOM 707 C TYR A 43 -12.907 22.971 14.209 1.00 0.00 C ATOM 708 O TYR A 43 -12.027 22.117 14.326 1.00 0.00 O ATOM 709 CB TYR A 43 -15.233 22.052 14.571 1.00 0.00 C ATOM 710 CG TYR A 43 -16.492 21.423 13.887 1.00 0.00 C ATOM 711 CD1 TYR A 43 -16.428 20.197 13.166 1.00 0.00 C ATOM 712 CD2 TYR A 43 -17.755 22.055 13.926 1.00 0.00 C ATOM 713 CE1 TYR A 43 -17.543 19.642 12.530 1.00 0.00 C ATOM 714 CE2 TYR A 43 -18.875 21.497 13.292 1.00 0.00 C ATOM 715 CZ TYR A 43 -18.778 20.289 12.590 1.00 0.00 C ATOM 716 OH TYR A 43 -19.869 19.756 11.971 1.00 0.00 O ATOM 0 H TYR A 43 -13.709 20.664 13.025 1.00 0.00 H new ATOM 0 HA TYR A 43 -14.629 23.491 13.093 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -14.748 21.301 15.195 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -15.547 22.861 15.231 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.484 19.676 13.108 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -17.861 22.990 14.456 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -17.448 18.711 11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -19.826 22.006 13.346 1.00 0.00 H new ATOM 0 HH TYR A 43 -20.644 20.337 12.117 1.00 0.00 H new ATOM 726 N ARG A 44 -12.762 24.237 14.620 1.00 0.00 N ATOM 727 CA ARG A 44 -11.546 24.747 15.257 1.00 0.00 C ATOM 728 C ARG A 44 -11.910 25.607 16.468 1.00 0.00 C ATOM 729 O ARG A 44 -13.030 26.100 16.540 1.00 0.00 O ATOM 730 CB ARG A 44 -10.760 25.601 14.243 1.00 0.00 C ATOM 731 CG ARG A 44 -9.437 24.998 13.776 1.00 0.00 C ATOM 732 CD ARG A 44 -9.630 23.616 13.165 1.00 0.00 C ATOM 733 NE ARG A 44 -8.498 23.280 12.306 1.00 0.00 N ATOM 734 CZ ARG A 44 -8.153 22.037 11.959 1.00 0.00 C ATOM 735 NH1 ARG A 44 -8.854 20.984 12.396 1.00 0.00 N ATOM 736 NH2 ARG A 44 -7.085 21.864 11.178 1.00 0.00 N ATOM 0 H ARG A 44 -13.493 24.941 14.518 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.935 23.907 15.586 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.391 25.774 13.371 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.560 26.575 14.690 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.975 25.659 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.751 24.930 14.620 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.729 22.872 13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.554 23.592 12.587 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.931 24.048 11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.663 21.125 13.002 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.580 20.040 12.123 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.551 22.672 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.803 20.924 10.900 1.00 0.00 H new ATOM 750 N ARG A 45 -10.967 25.822 17.397 1.00 0.00 N ATOM 751 CA ARG A 45 -11.135 26.658 18.579 1.00 0.00 C ATOM 752 C ARG A 45 -9.791 27.278 18.969 1.00 0.00 C ATOM 753 O ARG A 45 -8.743 26.723 18.650 1.00 0.00 O ATOM 754 CB ARG A 45 -11.790 25.901 19.742 1.00 0.00 C ATOM 755 CG ARG A 45 -10.905 24.794 20.324 1.00 0.00 C ATOM 756 CD ARG A 45 -11.487 24.220 21.618 1.00 0.00 C ATOM 757 NE ARG A 45 -12.692 23.421 21.362 1.00 0.00 N ATOM 758 CZ ARG A 45 -13.707 23.246 22.223 1.00 0.00 C ATOM 759 NH1 ARG A 45 -13.671 23.797 23.446 1.00 0.00 N ATOM 760 NH2 ARG A 45 -14.761 22.510 21.861 1.00 0.00 N ATOM 0 H ARG A 45 -10.039 25.402 17.338 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.826 27.465 18.333 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.039 26.609 20.532 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.727 25.463 19.399 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.793 23.995 19.591 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.908 25.190 20.518 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.738 23.601 22.111 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.728 25.034 22.301 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.764 22.961 20.455 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.866 24.356 23.730 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.448 23.657 24.092 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.792 22.084 20.935 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.535 22.374 22.511 1.00 0.00 H new ATOM 774 N PHE A 46 -9.809 28.434 19.642 1.00 0.00 N ATOM 775 CA PHE A 46 -8.607 29.156 20.029 1.00 0.00 C ATOM 776 C PHE A 46 -7.535 28.278 20.669 1.00 0.00 C ATOM 777 O PHE A 46 -6.422 28.188 20.157 1.00 0.00 O ATOM 778 CB PHE A 46 -8.968 30.375 20.887 1.00 0.00 C ATOM 779 CG PHE A 46 -9.814 30.130 22.123 1.00 0.00 C ATOM 780 CD1 PHE A 46 -11.219 30.129 22.027 1.00 0.00 C ATOM 781 CD2 PHE A 46 -9.199 29.909 23.371 1.00 0.00 C ATOM 782 CE1 PHE A 46 -12.003 29.906 23.171 1.00 0.00 C ATOM 783 CE2 PHE A 46 -9.986 29.685 24.514 1.00 0.00 C ATOM 784 CZ PHE A 46 -11.388 29.684 24.414 1.00 0.00 C ATOM 0 H PHE A 46 -10.672 28.894 19.933 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.143 29.513 19.109 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.040 30.852 21.202 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.495 31.089 20.254 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.694 30.300 21.072 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.122 29.912 23.450 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.080 29.905 23.095 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.513 29.514 25.470 1.00 0.00 H new ATOM 0 HZ PHE A 46 -11.992 29.513 25.293 1.00 0.00 H new ATOM 794 N THR A 47 -7.874 27.630 21.782 1.00 0.00 N ATOM 795 CA THR A 47 -6.952 26.765 22.511 1.00 0.00 C ATOM 796 C THR A 47 -6.404 25.610 21.665 1.00 0.00 C ATOM 797 O THR A 47 -5.349 25.075 21.996 1.00 0.00 O ATOM 798 CB THR A 47 -7.587 26.284 23.826 1.00 0.00 C ATOM 799 OG1 THR A 47 -6.623 25.613 24.612 1.00 0.00 O ATOM 800 CG2 THR A 47 -8.793 25.370 23.600 1.00 0.00 C ATOM 0 H THR A 47 -8.800 27.691 22.204 1.00 0.00 H new ATOM 0 HA THR A 47 -6.078 27.367 22.760 1.00 0.00 H new ATOM 0 HB THR A 47 -7.946 27.171 24.348 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.035 25.311 25.448 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.201 25.061 24.562 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.557 25.908 23.038 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.482 24.489 23.038 1.00 0.00 H new ATOM 808 N GLU A 48 -7.090 25.229 20.584 1.00 0.00 N ATOM 809 CA GLU A 48 -6.673 24.170 19.688 1.00 0.00 C ATOM 810 C GLU A 48 -5.664 24.736 18.705 1.00 0.00 C ATOM 811 O GLU A 48 -4.639 24.107 18.465 1.00 0.00 O ATOM 812 CB GLU A 48 -7.873 23.565 18.964 1.00 0.00 C ATOM 813 CG GLU A 48 -8.523 22.456 19.794 1.00 0.00 C ATOM 814 CD GLU A 48 -7.669 21.196 19.897 1.00 0.00 C ATOM 815 OE1 GLU A 48 -6.780 21.028 19.034 1.00 0.00 O ATOM 816 OE2 GLU A 48 -7.936 20.413 20.833 1.00 0.00 O ATOM 0 H GLU A 48 -7.970 25.665 20.309 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.208 23.367 20.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.606 24.344 18.757 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.555 23.163 18.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.723 22.833 20.797 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.486 22.198 19.352 1.00 0.00 H new ATOM 823 N ILE A 49 -5.922 25.928 18.151 1.00 0.00 N ATOM 824 CA ILE A 49 -4.938 26.545 17.266 1.00 0.00 C ATOM 825 C ILE A 49 -3.651 26.732 18.070 1.00 0.00 C ATOM 826 O ILE A 49 -2.558 26.442 17.583 1.00 0.00 O ATOM 827 CB ILE A 49 -5.420 27.885 16.671 1.00 0.00 C ATOM 828 CG1 ILE A 49 -6.347 27.635 15.469 1.00 0.00 C ATOM 829 CG2 ILE A 49 -4.213 28.709 16.190 1.00 0.00 C ATOM 830 CD1 ILE A 49 -7.817 27.469 15.860 1.00 0.00 C ATOM 0 H ILE A 49 -6.776 26.466 18.296 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.772 25.893 16.409 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.961 28.427 17.447 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.256 28.467 14.770 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.015 26.740 14.944 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.561 29.653 15.771 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.549 28.908 17.032 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.672 28.150 15.426 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.414 27.296 14.965 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.920 26.619 16.535 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.165 28.373 16.359 1.00 0.00 H new ATOM 842 N TYR A 50 -3.793 27.214 19.308 1.00 0.00 N ATOM 843 CA TYR A 50 -2.661 27.442 20.181 1.00 0.00 C ATOM 844 C TYR A 50 -1.960 26.136 20.497 1.00 0.00 C ATOM 845 O TYR A 50 -0.751 26.068 20.344 1.00 0.00 O ATOM 846 CB TYR A 50 -3.108 28.095 21.496 1.00 0.00 C ATOM 847 CG TYR A 50 -3.948 29.388 21.368 1.00 0.00 C ATOM 848 CD1 TYR A 50 -3.999 30.149 20.170 1.00 0.00 C ATOM 849 CD2 TYR A 50 -4.707 29.844 22.469 1.00 0.00 C ATOM 850 CE1 TYR A 50 -4.767 31.322 20.095 1.00 0.00 C ATOM 851 CE2 TYR A 50 -5.471 31.018 22.392 1.00 0.00 C ATOM 852 CZ TYR A 50 -5.498 31.761 21.204 1.00 0.00 C ATOM 853 OH TYR A 50 -6.239 32.901 21.129 1.00 0.00 O ATOM 0 H TYR A 50 -4.694 27.453 19.722 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.974 28.110 19.661 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.688 27.365 22.061 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.219 28.321 22.085 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.440 29.821 19.306 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.699 29.277 23.388 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.794 31.889 19.176 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.039 31.350 23.249 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.150 33.291 20.234 1.00 0.00 H new ATOM 863 N GLU A 51 -2.696 25.115 20.943 1.00 0.00 N ATOM 864 CA GLU A 51 -2.092 23.831 21.281 1.00 0.00 C ATOM 865 C GLU A 51 -1.373 23.247 20.064 1.00 0.00 C ATOM 866 O GLU A 51 -0.261 22.743 20.198 1.00 0.00 O ATOM 867 CB GLU A 51 -3.094 22.858 21.918 1.00 0.00 C ATOM 868 CG GLU A 51 -2.372 21.610 22.450 1.00 0.00 C ATOM 869 CD GLU A 51 -3.287 20.731 23.298 1.00 0.00 C ATOM 870 OE1 GLU A 51 -3.797 21.256 24.312 1.00 0.00 O ATOM 871 OE2 GLU A 51 -3.439 19.545 22.933 1.00 0.00 O ATOM 0 H GLU A 51 -3.706 25.155 21.077 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.341 24.002 22.052 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.623 23.353 22.732 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.843 22.566 21.182 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.989 21.029 21.611 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.512 21.916 23.045 1.00 0.00 H new ATOM 878 N PHE A 52 -1.985 23.342 18.877 1.00 0.00 N ATOM 879 CA PHE A 52 -1.382 22.866 17.637 1.00 0.00 C ATOM 880 C PHE A 52 -0.047 23.543 17.450 1.00 0.00 C ATOM 881 O PHE A 52 0.995 22.899 17.397 1.00 0.00 O ATOM 882 CB PHE A 52 -2.207 23.207 16.379 1.00 0.00 C ATOM 883 CG PHE A 52 -1.382 22.993 15.072 1.00 0.00 C ATOM 884 CD1 PHE A 52 -0.534 23.972 14.471 1.00 0.00 C ATOM 885 CD2 PHE A 52 -1.454 21.741 14.438 1.00 0.00 C ATOM 886 CE1 PHE A 52 0.176 23.681 13.293 1.00 0.00 C ATOM 887 CE2 PHE A 52 -0.753 21.458 13.259 1.00 0.00 C ATOM 888 CZ PHE A 52 0.066 22.431 12.676 1.00 0.00 C ATOM 0 H PHE A 52 -2.911 23.751 18.755 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.313 21.783 17.734 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.101 22.585 16.351 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.541 24.243 16.433 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.437 24.947 14.926 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.071 20.970 14.875 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.816 24.434 12.858 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.845 20.485 12.798 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.605 22.220 11.764 1.00 0.00 H new ATOM 898 N HIS A 53 -0.112 24.866 17.305 1.00 0.00 N ATOM 899 CA HIS A 53 1.051 25.658 17.038 1.00 0.00 C ATOM 900 C HIS A 53 2.133 25.431 18.066 1.00 0.00 C ATOM 901 O HIS A 53 3.306 25.278 17.736 1.00 0.00 O ATOM 902 CB HIS A 53 0.643 27.114 16.910 1.00 0.00 C ATOM 903 CG HIS A 53 1.726 27.830 16.183 1.00 0.00 C ATOM 904 ND1 HIS A 53 1.997 27.418 14.913 1.00 0.00 N ATOM 905 CD2 HIS A 53 2.607 28.850 16.435 1.00 0.00 C ATOM 906 CE1 HIS A 53 2.980 28.158 14.424 1.00 0.00 C ATOM 907 NE2 HIS A 53 3.412 29.064 15.309 1.00 0.00 N ATOM 0 H HIS A 53 -0.977 25.402 17.372 1.00 0.00 H new ATOM 0 HA HIS A 53 1.492 25.348 16.090 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.300 27.200 16.370 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.488 27.555 17.895 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.670 29.404 17.360 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.385 28.044 13.429 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.156 29.752 15.191 1.00 0.00 H new ATOM 915 N LYS A 54 1.697 25.383 19.314 1.00 0.00 N ATOM 916 CA LYS A 54 2.591 25.124 20.427 1.00 0.00 C ATOM 917 C LYS A 54 3.271 23.767 20.252 1.00 0.00 C ATOM 918 O LYS A 54 4.461 23.629 20.520 1.00 0.00 O ATOM 919 CB LYS A 54 1.831 25.184 21.754 1.00 0.00 C ATOM 920 CG LYS A 54 1.533 26.618 22.216 1.00 0.00 C ATOM 921 CD LYS A 54 2.747 27.243 22.919 1.00 0.00 C ATOM 922 CE LYS A 54 2.485 28.693 23.350 1.00 0.00 C ATOM 923 NZ LYS A 54 1.415 28.798 24.361 1.00 0.00 N ATOM 0 H LYS A 54 0.722 25.521 19.581 1.00 0.00 H new ATOM 0 HA LYS A 54 3.360 25.896 20.444 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.892 24.639 21.653 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.413 24.675 22.522 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.254 27.228 21.357 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.680 26.614 22.895 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.005 26.647 23.794 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.607 27.215 22.250 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.403 29.121 23.752 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.214 29.285 22.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.346 29.781 24.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.509 28.511 23.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.635 28.176 25.165 1.00 0.00 H new ATOM 937 N THR A 55 2.517 22.769 19.793 1.00 0.00 N ATOM 938 CA THR A 55 3.054 21.428 19.600 1.00 0.00 C ATOM 939 C THR A 55 4.042 21.437 18.457 1.00 0.00 C ATOM 940 O THR A 55 5.088 20.806 18.552 1.00 0.00 O ATOM 941 CB THR A 55 1.930 20.402 19.430 1.00 0.00 C ATOM 942 OG1 THR A 55 1.133 20.367 20.594 1.00 0.00 O ATOM 943 CG2 THR A 55 2.457 18.997 19.165 1.00 0.00 C ATOM 0 H THR A 55 1.532 22.867 19.548 1.00 0.00 H new ATOM 0 HA THR A 55 3.598 21.117 20.492 1.00 0.00 H new ATOM 0 HB THR A 55 1.345 20.716 18.565 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.547 21.152 20.613 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.619 18.309 19.052 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.051 18.998 18.251 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.078 18.678 20.002 1.00 0.00 H new ATOM 951 N LEU A 56 3.738 22.172 17.393 1.00 0.00 N ATOM 952 CA LEU A 56 4.653 22.276 16.282 1.00 0.00 C ATOM 953 C LEU A 56 5.963 22.822 16.808 1.00 0.00 C ATOM 954 O LEU A 56 7.010 22.227 16.595 1.00 0.00 O ATOM 955 CB LEU A 56 4.069 23.179 15.177 1.00 0.00 C ATOM 956 CG LEU A 56 4.717 23.158 13.790 1.00 0.00 C ATOM 957 CD1 LEU A 56 6.135 23.691 13.847 1.00 0.00 C ATOM 958 CD2 LEU A 56 4.758 21.811 13.049 1.00 0.00 C ATOM 0 H LEU A 56 2.871 22.697 17.284 1.00 0.00 H new ATOM 0 HA LEU A 56 4.818 21.297 15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.019 22.914 15.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.099 24.206 15.540 1.00 0.00 H new ATOM 0 HG LEU A 56 4.045 23.795 13.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.574 23.666 12.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.123 24.718 14.212 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.729 23.073 14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.243 21.942 12.082 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.318 21.087 13.641 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.742 21.447 12.899 1.00 0.00 H new ATOM 970 N LYS A 57 5.903 23.954 17.502 1.00 0.00 N ATOM 971 CA LYS A 57 7.102 24.582 18.012 1.00 0.00 C ATOM 972 C LYS A 57 7.853 23.748 19.050 1.00 0.00 C ATOM 973 O LYS A 57 9.062 23.909 19.203 1.00 0.00 O ATOM 974 CB LYS A 57 6.737 25.966 18.567 1.00 0.00 C ATOM 975 CG LYS A 57 6.214 26.919 17.473 1.00 0.00 C ATOM 976 CD LYS A 57 6.040 28.376 17.934 1.00 0.00 C ATOM 977 CE LYS A 57 7.381 29.118 18.046 1.00 0.00 C ATOM 978 NZ LYS A 57 7.219 30.581 18.164 1.00 0.00 N ATOM 0 H LYS A 57 5.038 24.448 17.720 1.00 0.00 H new ATOM 0 HA LYS A 57 7.799 24.677 17.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.978 25.855 19.342 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.614 26.407 19.041 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.903 26.897 16.629 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.255 26.547 17.112 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.394 28.902 17.231 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.538 28.391 18.901 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.925 28.746 18.914 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.989 28.894 17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.017 31.057 17.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.329 30.870 17.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.196 30.848 19.169 1.00 0.00 H new ATOM 992 N GLU A 58 7.146 22.868 19.758 1.00 0.00 N ATOM 993 CA GLU A 58 7.726 22.014 20.778 1.00 0.00 C ATOM 994 C GLU A 58 8.452 20.861 20.102 1.00 0.00 C ATOM 995 O GLU A 58 9.639 20.649 20.344 1.00 0.00 O ATOM 996 CB GLU A 58 6.641 21.479 21.741 1.00 0.00 C ATOM 997 CG GLU A 58 6.221 22.621 22.718 1.00 0.00 C ATOM 998 CD GLU A 58 7.131 22.643 23.940 1.00 0.00 C ATOM 999 OE1 GLU A 58 7.042 21.676 24.728 1.00 0.00 O ATOM 1000 OE2 GLU A 58 7.900 23.620 24.066 1.00 0.00 O ATOM 0 H GLU A 58 6.143 22.731 19.633 1.00 0.00 H new ATOM 0 HA GLU A 58 8.431 22.597 21.371 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.776 21.129 21.177 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.023 20.626 22.301 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.269 23.582 22.205 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.187 22.477 23.031 1.00 0.00 H new ATOM 1007 N MET A 59 7.739 20.109 19.255 1.00 0.00 N ATOM 1008 CA MET A 59 8.328 18.983 18.566 1.00 0.00 C ATOM 1009 C MET A 59 9.437 19.449 17.628 1.00 0.00 C ATOM 1010 O MET A 59 10.532 18.895 17.654 1.00 0.00 O ATOM 1011 CB MET A 59 7.274 18.229 17.764 1.00 0.00 C ATOM 1012 CG MET A 59 6.030 17.693 18.494 1.00 0.00 C ATOM 1013 SD MET A 59 4.829 16.854 17.419 1.00 0.00 S ATOM 1014 CE MET A 59 4.606 18.093 16.116 1.00 0.00 C ATOM 0 H MET A 59 6.755 20.270 19.039 1.00 0.00 H new ATOM 0 HA MET A 59 8.749 18.316 19.318 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.930 18.889 16.968 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.766 17.382 17.286 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.351 16.999 19.270 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.532 18.523 18.995 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.748 17.823 15.500 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.435 19.070 16.568 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.501 18.133 15.495 1.00 0.00 H new ATOM 1024 N PHE A 60 9.148 20.464 16.807 1.00 0.00 N ATOM 1025 CA PHE A 60 10.083 21.046 15.878 1.00 0.00 C ATOM 1026 C PHE A 60 10.724 22.294 16.537 1.00 0.00 C ATOM 1027 O PHE A 60 10.145 23.375 16.423 1.00 0.00 O ATOM 1028 CB PHE A 60 9.337 21.507 14.627 1.00 0.00 C ATOM 1029 CG PHE A 60 8.613 20.419 13.768 1.00 0.00 C ATOM 1030 CD1 PHE A 60 7.319 19.905 14.069 1.00 0.00 C ATOM 1031 CD2 PHE A 60 9.247 19.896 12.614 1.00 0.00 C ATOM 1032 CE1 PHE A 60 6.711 18.939 13.239 1.00 0.00 C ATOM 1033 CE2 PHE A 60 8.638 18.931 11.795 1.00 0.00 C ATOM 1034 CZ PHE A 60 7.364 18.452 12.104 1.00 0.00 C ATOM 0 H PHE A 60 8.229 20.905 16.781 1.00 0.00 H new ATOM 0 HA PHE A 60 10.842 20.309 15.615 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.593 22.242 14.933 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.049 22.023 13.983 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.796 20.260 14.945 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.233 20.252 12.355 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.726 18.571 13.485 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.157 18.559 10.924 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.889 17.714 11.474 1.00 0.00 H new ATOM 1044 N PRO A 61 11.894 22.256 17.206 1.00 0.00 N ATOM 1045 CA PRO A 61 12.454 23.475 17.772 1.00 0.00 C ATOM 1046 C PRO A 61 13.038 24.339 16.654 1.00 0.00 C ATOM 1047 O PRO A 61 13.253 25.532 16.836 1.00 0.00 O ATOM 1048 CB PRO A 61 13.505 23.022 18.781 1.00 0.00 C ATOM 1049 CG PRO A 61 14.008 21.711 18.189 1.00 0.00 C ATOM 1050 CD PRO A 61 12.787 21.142 17.460 1.00 0.00 C ATOM 0 HA PRO A 61 11.708 24.094 18.271 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.307 23.753 18.883 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.076 22.879 19.773 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.841 21.875 17.505 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.362 21.032 18.965 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.083 20.663 16.527 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.294 20.382 18.066 1.00 0.00 H new ATOM 1058 N ILE A 62 13.274 23.736 15.485 1.00 0.00 N ATOM 1059 CA ILE A 62 13.787 24.388 14.304 1.00 0.00 C ATOM 1060 C ILE A 62 12.700 25.258 13.708 1.00 0.00 C ATOM 1061 O ILE A 62 12.958 26.415 13.381 1.00 0.00 O ATOM 1062 CB ILE A 62 14.235 23.355 13.277 1.00 0.00 C ATOM 1063 CG1 ILE A 62 15.216 22.296 13.815 1.00 0.00 C ATOM 1064 CG2 ILE A 62 14.733 24.020 12.006 1.00 0.00 C ATOM 1065 CD1 ILE A 62 16.483 22.890 14.439 1.00 0.00 C ATOM 0 H ILE A 62 13.102 22.741 15.343 1.00 0.00 H new ATOM 0 HA ILE A 62 14.646 25.000 14.579 1.00 0.00 H new ATOM 0 HB ILE A 62 13.340 22.784 13.029 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.706 21.687 14.561 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.501 21.630 13.000 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.045 23.256 11.294 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.932 24.617 11.570 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.580 24.665 12.241 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.125 22.085 14.795 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.017 23.476 13.691 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.210 23.533 15.276 1.00 0.00 H new ATOM 1077 N GLU A 63 11.474 24.725 13.579 1.00 0.00 N ATOM 1078 CA GLU A 63 10.419 25.579 13.044 1.00 0.00 C ATOM 1079 C GLU A 63 10.148 26.735 14.017 1.00 0.00 C ATOM 1080 O GLU A 63 9.439 27.683 13.681 1.00 0.00 O ATOM 1081 CB GLU A 63 9.108 24.861 12.685 1.00 0.00 C ATOM 1082 CG GLU A 63 8.598 25.451 11.354 1.00 0.00 C ATOM 1083 CD GLU A 63 7.085 25.532 11.170 1.00 0.00 C ATOM 1084 OE1 GLU A 63 6.418 26.191 11.998 1.00 0.00 O ATOM 1085 OE2 GLU A 63 6.592 24.965 10.171 1.00 0.00 O ATOM 0 H GLU A 63 11.205 23.771 13.821 1.00 0.00 H new ATOM 0 HA GLU A 63 10.799 25.950 12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.274 23.788 12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.368 25.000 13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.007 26.456 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.007 24.854 10.539 1.00 0.00 H new ATOM 1092 N ALA A 64 10.723 26.645 15.225 1.00 0.00 N ATOM 1093 CA ALA A 64 10.597 27.614 16.279 1.00 0.00 C ATOM 1094 C ALA A 64 11.941 28.162 16.694 1.00 0.00 C ATOM 1095 O ALA A 64 12.140 28.525 17.852 1.00 0.00 O ATOM 1096 CB ALA A 64 9.907 26.939 17.454 1.00 0.00 C ATOM 0 H ALA A 64 11.310 25.853 15.487 1.00 0.00 H new ATOM 0 HA ALA A 64 10.009 28.461 15.926 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.798 27.653 18.271 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.923 26.588 17.145 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.505 26.092 17.790 1.00 0.00 H new ATOM 1102 N GLY A 65 12.862 28.230 15.738 1.00 0.00 N ATOM 1103 CA GLY A 65 14.172 28.728 16.041 1.00 0.00 C ATOM 1104 C GLY A 65 14.918 29.092 14.790 1.00 0.00 C ATOM 1105 O GLY A 65 15.423 30.208 14.691 1.00 0.00 O ATOM 0 H GLY A 65 12.717 27.949 14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.091 29.603 16.687 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.731 27.974 16.595 1.00 0.00 H new ATOM 1109 N ALA A 66 14.965 28.164 13.832 1.00 0.00 N ATOM 1110 CA ALA A 66 15.615 28.454 12.576 1.00 0.00 C ATOM 1111 C ALA A 66 14.630 29.103 11.630 1.00 0.00 C ATOM 1112 O ALA A 66 15.044 29.742 10.670 1.00 0.00 O ATOM 1113 CB ALA A 66 16.264 27.221 11.958 1.00 0.00 C ATOM 0 H ALA A 66 14.567 27.228 13.909 1.00 0.00 H new ATOM 0 HA ALA A 66 16.429 29.153 12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.739 27.494 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 66 17.015 26.824 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.503 26.462 11.775 1.00 0.00 H new ATOM 1119 N ILE A 67 13.337 28.935 11.923 1.00 0.00 N ATOM 1120 CA ILE A 67 12.274 29.500 11.104 1.00 0.00 C ATOM 1121 C ILE A 67 11.512 30.577 11.879 1.00 0.00 C ATOM 1122 O ILE A 67 10.522 31.111 11.404 1.00 0.00 O ATOM 1123 CB ILE A 67 11.435 28.350 10.523 1.00 0.00 C ATOM 1124 CG1 ILE A 67 12.406 27.336 9.868 1.00 0.00 C ATOM 1125 CG2 ILE A 67 10.392 28.829 9.501 1.00 0.00 C ATOM 1126 CD1 ILE A 67 11.759 26.198 9.080 1.00 0.00 C ATOM 0 H ILE A 67 13.005 28.407 12.730 1.00 0.00 H new ATOM 0 HA ILE A 67 12.665 30.039 10.241 1.00 0.00 H new ATOM 0 HB ILE A 67 10.871 27.888 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.072 27.881 9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.027 26.901 10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.831 27.973 9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.708 29.530 9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.896 29.324 8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.535 25.553 8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.117 25.616 9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.162 26.612 8.267 1.00 0.00 H new ATOM 1138 N ASN A 68 11.994 30.949 13.066 1.00 0.00 N ATOM 1139 CA ASN A 68 11.355 31.991 13.872 1.00 0.00 C ATOM 1140 C ASN A 68 11.851 33.412 13.583 1.00 0.00 C ATOM 1141 O ASN A 68 11.006 34.271 13.352 1.00 0.00 O ATOM 1142 CB ASN A 68 11.346 31.647 15.375 1.00 0.00 C ATOM 1143 CG ASN A 68 9.939 31.319 15.886 1.00 0.00 C ATOM 1144 OD1 ASN A 68 9.544 31.726 16.977 1.00 0.00 O ATOM 1145 ND2 ASN A 68 9.161 30.573 15.104 1.00 0.00 N ATOM 0 H ASN A 68 12.827 30.543 13.492 1.00 0.00 H new ATOM 0 HA ASN A 68 10.315 32.001 13.547 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.003 30.796 15.555 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.749 32.487 15.941 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.218 30.329 15.407 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.508 30.246 14.202 1.00 0.00 H new ATOM 1152 N PRO A 69 13.152 33.729 13.587 1.00 0.00 N ATOM 1153 CA PRO A 69 13.627 35.079 13.336 1.00 0.00 C ATOM 1154 C PRO A 69 13.583 35.501 11.876 1.00 0.00 C ATOM 1155 O PRO A 69 13.054 36.562 11.548 1.00 0.00 O ATOM 1156 CB PRO A 69 15.039 35.121 13.924 1.00 0.00 C ATOM 1157 CG PRO A 69 15.526 33.676 13.787 1.00 0.00 C ATOM 1158 CD PRO A 69 14.249 32.837 13.877 1.00 0.00 C ATOM 0 HA PRO A 69 12.966 35.807 13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.680 35.814 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.031 35.445 14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 69 16.040 33.518 12.839 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.229 33.416 14.578 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.276 32.011 13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.141 32.399 14.869 1.00 0.00 H new ATOM 1166 N GLU A 70 14.144 34.674 11.004 1.00 0.00 N ATOM 1167 CA GLU A 70 14.194 34.938 9.573 1.00 0.00 C ATOM 1168 C GLU A 70 12.778 35.000 9.014 1.00 0.00 C ATOM 1169 O GLU A 70 12.487 35.817 8.142 1.00 0.00 O ATOM 1170 CB GLU A 70 15.029 33.818 8.873 1.00 0.00 C ATOM 1171 CG GLU A 70 14.319 32.420 8.912 1.00 0.00 C ATOM 1172 CD GLU A 70 13.556 32.074 7.633 1.00 0.00 C ATOM 1173 OE1 GLU A 70 13.362 32.981 6.797 1.00 0.00 O ATOM 1174 OE2 GLU A 70 13.166 30.892 7.522 1.00 0.00 O ATOM 0 H GLU A 70 14.581 33.793 11.273 1.00 0.00 H new ATOM 0 HA GLU A 70 14.675 35.898 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.210 34.100 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.003 33.740 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.067 31.649 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.626 32.399 9.753 1.00 0.00 H new ATOM 1181 N ASN A 71 11.912 34.135 9.548 1.00 0.00 N ATOM 1182 CA ASN A 71 10.521 34.036 9.162 1.00 0.00 C ATOM 1183 C ASN A 71 9.642 34.541 10.302 1.00 0.00 C ATOM 1184 O ASN A 71 8.607 33.945 10.588 1.00 0.00 O ATOM 1185 CB ASN A 71 10.182 32.582 8.735 1.00 0.00 C ATOM 1186 CG ASN A 71 9.390 32.523 7.434 1.00 0.00 C ATOM 1187 OD1 ASN A 71 9.806 33.055 6.409 1.00 0.00 O ATOM 1188 ND2 ASN A 71 8.235 31.862 7.463 1.00 0.00 N ATOM 0 H ASN A 71 12.175 33.472 10.278 1.00 0.00 H new ATOM 0 HA ASN A 71 10.325 34.666 8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.106 32.016 8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.610 32.099 9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.669 31.787 6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.916 31.430 8.330 1.00 0.00 H new ATOM 1195 N ARG A 72 10.035 35.660 10.933 1.00 0.00 N ATOM 1196 CA ARG A 72 9.257 36.298 12.003 1.00 0.00 C ATOM 1197 C ARG A 72 7.978 36.970 11.466 1.00 0.00 C ATOM 1198 O ARG A 72 7.787 38.176 11.601 1.00 0.00 O ATOM 1199 CB ARG A 72 10.127 37.274 12.816 1.00 0.00 C ATOM 1200 CG ARG A 72 9.454 37.684 14.137 1.00 0.00 C ATOM 1201 CD ARG A 72 10.437 38.430 15.044 1.00 0.00 C ATOM 1202 NE ARG A 72 11.469 37.525 15.571 1.00 0.00 N ATOM 1203 CZ ARG A 72 12.527 37.908 16.305 1.00 0.00 C ATOM 1204 NH1 ARG A 72 12.728 39.203 16.582 1.00 0.00 N ATOM 1205 NH2 ARG A 72 13.384 36.987 16.763 1.00 0.00 N ATOM 0 H ARG A 72 10.904 36.147 10.713 1.00 0.00 H new ATOM 0 HA ARG A 72 8.929 35.511 12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.090 36.810 13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.327 38.164 12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.592 38.318 13.929 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.081 36.798 14.650 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.909 39.238 14.485 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.896 38.889 15.871 1.00 0.00 H new ATOM 0 HE ARG A 72 11.374 36.531 15.364 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.075 39.906 16.235 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.534 39.486 17.140 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.232 36.000 16.554 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.189 37.272 17.321 1.00 0.00 H new ATOM 1219 N ILE A 73 7.090 36.166 10.874 1.00 0.00 N ATOM 1220 CA ILE A 73 5.787 36.516 10.332 1.00 0.00 C ATOM 1221 C ILE A 73 4.829 35.338 10.590 1.00 0.00 C ATOM 1222 O ILE A 73 3.808 35.203 9.919 1.00 0.00 O ATOM 1223 CB ILE A 73 5.863 36.909 8.839 1.00 0.00 C ATOM 1224 CG1 ILE A 73 6.501 35.832 7.936 1.00 0.00 C ATOM 1225 CG2 ILE A 73 6.503 38.291 8.638 1.00 0.00 C ATOM 1226 CD1 ILE A 73 8.006 35.998 7.692 1.00 0.00 C ATOM 0 H ILE A 73 7.287 35.172 10.755 1.00 0.00 H new ATOM 0 HA ILE A 73 5.405 37.404 10.835 1.00 0.00 H new ATOM 0 HB ILE A 73 4.827 36.979 8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.327 34.854 8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.990 35.837 6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.536 38.526 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.912 39.045 9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.516 38.285 9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.361 35.194 7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.193 36.958 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.535 35.960 8.644 1.00 0.00 H new ATOM 1238 N ILE A 74 5.151 34.484 11.574 1.00 0.00 N ATOM 1239 CA ILE A 74 4.334 33.343 11.968 1.00 0.00 C ATOM 1240 C ILE A 74 3.281 33.939 12.913 1.00 0.00 C ATOM 1241 O ILE A 74 3.651 34.677 13.828 1.00 0.00 O ATOM 1242 CB ILE A 74 5.201 32.246 12.619 1.00 0.00 C ATOM 1243 CG1 ILE A 74 6.240 31.674 11.631 1.00 0.00 C ATOM 1244 CG2 ILE A 74 4.291 31.106 13.097 1.00 0.00 C ATOM 1245 CD1 ILE A 74 7.487 31.104 12.328 1.00 0.00 C ATOM 0 H ILE A 74 6.005 34.576 12.124 1.00 0.00 H new ATOM 0 HA ILE A 74 3.856 32.840 11.128 1.00 0.00 H new ATOM 0 HB ILE A 74 5.738 32.694 13.455 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.773 30.889 11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.545 32.459 10.939 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.897 30.326 13.559 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.578 31.491 13.826 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.751 30.690 12.246 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.178 30.718 11.579 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.976 31.892 12.901 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.192 30.298 12.999 1.00 0.00 H new ATOM 1257 N PRO A 75 1.977 33.687 12.703 1.00 0.00 N ATOM 1258 CA PRO A 75 0.916 34.301 13.477 1.00 0.00 C ATOM 1259 C PRO A 75 0.721 33.649 14.851 1.00 0.00 C ATOM 1260 O PRO A 75 -0.330 33.075 15.134 1.00 0.00 O ATOM 1261 CB PRO A 75 -0.324 34.226 12.592 1.00 0.00 C ATOM 1262 CG PRO A 75 -0.103 32.928 11.834 1.00 0.00 C ATOM 1263 CD PRO A 75 1.414 32.859 11.663 1.00 0.00 C ATOM 0 HA PRO A 75 1.156 35.334 13.728 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.242 34.203 13.179 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.397 35.082 11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.482 32.071 12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.614 32.935 10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.769 31.832 11.749 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.711 33.217 10.677 1.00 0.00 H new ATOM 1271 N HIS A 76 1.738 33.736 15.711 1.00 0.00 N ATOM 1272 CA HIS A 76 1.729 33.157 17.050 1.00 0.00 C ATOM 1273 C HIS A 76 1.361 34.191 18.123 1.00 0.00 C ATOM 1274 O HIS A 76 2.205 34.582 18.930 1.00 0.00 O ATOM 1275 CB HIS A 76 3.065 32.444 17.310 1.00 0.00 C ATOM 1276 CG HIS A 76 4.315 33.226 16.994 1.00 0.00 C ATOM 1277 ND1 HIS A 76 4.561 34.499 17.480 1.00 0.00 N ATOM 1278 CD2 HIS A 76 5.413 32.915 16.231 1.00 0.00 C ATOM 1279 CE1 HIS A 76 5.757 34.887 17.004 1.00 0.00 C ATOM 1280 NE2 HIS A 76 6.331 33.960 16.233 1.00 0.00 N ATOM 0 H HIS A 76 2.607 34.221 15.489 1.00 0.00 H new ATOM 0 HA HIS A 76 0.941 32.406 17.111 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.099 32.155 18.360 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.081 31.524 16.726 1.00 0.00 H new ATOM 0 HD1 HIS A 76 3.948 35.042 18.087 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.546 31.984 15.700 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.205 35.845 17.222 1.00 0.00 H new ATOM 1288 N LEU A 77 0.095 34.628 18.148 1.00 0.00 N ATOM 1289 CA LEU A 77 -0.398 35.593 19.129 1.00 0.00 C ATOM 1290 C LEU A 77 -0.816 34.861 20.416 1.00 0.00 C ATOM 1291 O LEU A 77 -1.189 33.689 20.355 1.00 0.00 O ATOM 1292 CB LEU A 77 -1.571 36.397 18.540 1.00 0.00 C ATOM 1293 CG LEU A 77 -1.114 37.511 17.579 1.00 0.00 C ATOM 1294 CD1 LEU A 77 -0.768 36.975 16.184 1.00 0.00 C ATOM 1295 CD2 LEU A 77 -2.208 38.580 17.454 1.00 0.00 C ATOM 0 H LEU A 77 -0.615 34.319 17.485 1.00 0.00 H new ATOM 0 HA LEU A 77 0.398 36.295 19.377 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.239 35.719 18.010 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.146 36.840 19.353 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.209 37.945 18.003 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.452 37.800 15.545 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.040 36.248 16.264 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.646 36.496 15.750 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.875 39.363 16.773 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.119 38.125 17.066 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.408 39.013 18.434 1.00 0.00 H new ATOM 1307 N PRO A 78 -0.757 35.525 21.586 1.00 0.00 N ATOM 1308 CA PRO A 78 -1.112 34.940 22.875 1.00 0.00 C ATOM 1309 C PRO A 78 -2.630 34.789 23.044 1.00 0.00 C ATOM 1310 O PRO A 78 -3.403 35.110 22.142 1.00 0.00 O ATOM 1311 CB PRO A 78 -0.520 35.900 23.913 1.00 0.00 C ATOM 1312 CG PRO A 78 -0.634 37.253 23.217 1.00 0.00 C ATOM 1313 CD PRO A 78 -0.319 36.903 21.763 1.00 0.00 C ATOM 0 HA PRO A 78 -0.720 33.928 22.980 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.077 35.878 24.850 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.514 35.652 24.151 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.630 37.682 23.325 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.071 37.979 23.622 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.841 37.571 21.078 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.747 37.005 21.558 1.00 0.00 H new ATOM 1321 N ALA A 79 -3.057 34.294 24.214 1.00 0.00 N ATOM 1322 CA ALA A 79 -4.458 34.083 24.553 1.00 0.00 C ATOM 1323 C ALA A 79 -5.051 35.369 25.141 1.00 0.00 C ATOM 1324 O ALA A 79 -4.574 35.824 26.179 1.00 0.00 O ATOM 1325 CB ALA A 79 -4.562 32.947 25.570 1.00 0.00 C ATOM 0 H ALA A 79 -2.418 34.025 24.963 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.016 33.819 23.655 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.608 32.784 25.828 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.148 32.035 25.140 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.004 33.211 26.468 1.00 0.00 H new ATOM 1430 N GLN A 86 -13.458 43.210 23.219 1.00 0.00 N ATOM 1431 CA GLN A 86 -13.406 43.371 21.769 1.00 0.00 C ATOM 1432 C GLN A 86 -12.024 42.957 21.256 1.00 0.00 C ATOM 1433 O GLN A 86 -11.870 42.638 20.081 1.00 0.00 O ATOM 1434 CB GLN A 86 -13.750 44.807 21.358 1.00 0.00 C ATOM 1435 CG GLN A 86 -15.199 45.154 21.724 1.00 0.00 C ATOM 1436 CD GLN A 86 -15.634 46.485 21.116 1.00 0.00 C ATOM 1437 OE1 GLN A 86 -16.567 46.533 20.320 1.00 0.00 O ATOM 1438 NE2 GLN A 86 -14.967 47.576 21.493 1.00 0.00 N ATOM 0 HA GLN A 86 -14.155 42.723 21.314 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -13.071 45.502 21.851 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.604 44.926 20.284 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -15.862 44.362 21.376 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -15.299 45.200 22.808 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.196 47.499 22.157 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.227 48.488 21.118 1.00 0.00 H new ATOM 1447 N ARG A 87 -11.035 42.902 22.157 1.00 0.00 N ATOM 1448 CA ARG A 87 -9.676 42.503 21.835 1.00 0.00 C ATOM 1449 C ARG A 87 -9.531 40.992 21.968 1.00 0.00 C ATOM 1450 O ARG A 87 -8.511 40.454 21.555 1.00 0.00 O ATOM 1451 CB ARG A 87 -8.695 43.205 22.803 1.00 0.00 C ATOM 1452 CG ARG A 87 -8.521 44.677 22.411 1.00 0.00 C ATOM 1453 CD ARG A 87 -7.464 45.338 23.300 1.00 0.00 C ATOM 1454 NE ARG A 87 -7.220 46.728 22.891 1.00 0.00 N ATOM 1455 CZ ARG A 87 -6.277 47.526 23.420 1.00 0.00 C ATOM 1456 NH1 ARG A 87 -5.488 47.079 24.407 1.00 0.00 N ATOM 1457 NH2 ARG A 87 -6.124 48.773 22.957 1.00 0.00 N ATOM 0 H ARG A 87 -11.167 43.138 23.140 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.450 42.792 20.809 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.069 43.136 23.824 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.729 42.700 22.782 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.224 44.750 21.365 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.471 45.202 22.510 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.792 45.314 24.339 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.534 44.772 23.246 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.808 47.115 22.153 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.602 46.129 24.760 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.774 47.689 24.805 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.722 49.115 22.205 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.409 49.381 23.356 1.00 0.00 H new ATOM 1471 N ALA A 88 -10.561 40.309 22.474 1.00 0.00 N ATOM 1472 CA ALA A 88 -10.641 38.859 22.547 1.00 0.00 C ATOM 1473 C ALA A 88 -11.288 38.373 21.255 1.00 0.00 C ATOM 1474 O ALA A 88 -10.959 37.303 20.744 1.00 0.00 O ATOM 1475 CB ALA A 88 -11.412 38.383 23.782 1.00 0.00 C ATOM 0 H ALA A 88 -11.386 40.771 22.855 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.641 38.438 22.652 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.445 37.294 23.793 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.912 38.740 24.683 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.428 38.776 23.751 1.00 0.00 H new ATOM 1481 N ALA A 89 -12.198 39.192 20.727 1.00 0.00 N ATOM 1482 CA ALA A 89 -12.901 38.938 19.485 1.00 0.00 C ATOM 1483 C ALA A 89 -11.929 39.154 18.331 1.00 0.00 C ATOM 1484 O ALA A 89 -11.636 38.234 17.573 1.00 0.00 O ATOM 1485 CB ALA A 89 -14.137 39.836 19.388 1.00 0.00 C ATOM 0 H ALA A 89 -12.468 40.071 21.168 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.260 37.910 19.444 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.658 39.638 18.451 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.804 39.629 20.225 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.830 40.882 19.418 1.00 0.00 H new ATOM 1491 N GLU A 90 -11.418 40.379 18.211 1.00 0.00 N ATOM 1492 CA GLU A 90 -10.476 40.777 17.166 1.00 0.00 C ATOM 1493 C GLU A 90 -9.108 40.102 17.257 1.00 0.00 C ATOM 1494 O GLU A 90 -8.291 40.292 16.358 1.00 0.00 O ATOM 1495 CB GLU A 90 -10.338 42.306 17.155 1.00 0.00 C ATOM 1496 CG GLU A 90 -11.665 43.017 16.848 1.00 0.00 C ATOM 1497 CD GLU A 90 -11.510 44.531 16.963 1.00 0.00 C ATOM 1498 OE1 GLU A 90 -11.362 45.003 18.112 1.00 0.00 O ATOM 1499 OE2 GLU A 90 -11.532 45.188 15.900 1.00 0.00 O ATOM 0 H GLU A 90 -11.652 41.138 18.851 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.896 40.430 16.222 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.966 42.641 18.124 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.595 42.595 16.412 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.998 42.757 15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.435 42.673 17.538 1.00 0.00 H new ATOM 1506 N ASN A 91 -8.847 39.296 18.292 1.00 0.00 N ATOM 1507 CA ASN A 91 -7.587 38.575 18.382 1.00 0.00 C ATOM 1508 C ASN A 91 -7.837 37.334 17.557 1.00 0.00 C ATOM 1509 O ASN A 91 -7.168 37.112 16.564 1.00 0.00 O ATOM 1510 CB ASN A 91 -7.218 38.150 19.822 1.00 0.00 C ATOM 1511 CG ASN A 91 -5.851 38.696 20.225 1.00 0.00 C ATOM 1512 OD1 ASN A 91 -4.828 38.112 19.879 1.00 0.00 O ATOM 1513 ND2 ASN A 91 -5.819 39.809 20.956 1.00 0.00 N ATOM 0 H ASN A 91 -9.488 39.132 19.068 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.761 39.201 18.045 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.976 38.512 20.516 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.214 37.062 19.893 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.924 40.203 21.247 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.689 40.268 21.225 1.00 0.00 H new ATOM 1520 N ARG A 92 -8.820 36.533 17.967 1.00 0.00 N ATOM 1521 CA ARG A 92 -9.185 35.306 17.287 1.00 0.00 C ATOM 1522 C ARG A 92 -9.588 35.539 15.841 1.00 0.00 C ATOM 1523 O ARG A 92 -9.227 34.753 14.965 1.00 0.00 O ATOM 1524 CB ARG A 92 -10.336 34.627 18.042 1.00 0.00 C ATOM 1525 CG ARG A 92 -9.884 33.707 19.179 1.00 0.00 C ATOM 1526 CD ARG A 92 -9.108 34.428 20.286 1.00 0.00 C ATOM 1527 NE ARG A 92 -9.297 33.749 21.575 1.00 0.00 N ATOM 1528 CZ ARG A 92 -10.351 33.924 22.394 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -11.244 34.903 22.182 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -10.525 33.097 23.432 1.00 0.00 N ATOM 0 H ARG A 92 -9.388 36.727 18.792 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.305 34.663 17.276 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.991 35.396 18.451 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.928 34.047 17.334 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.760 33.227 19.616 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.259 32.915 18.766 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.048 34.456 20.035 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.445 35.462 20.360 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.574 33.094 21.872 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.131 35.533 21.387 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.035 35.017 22.815 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.861 32.340 23.598 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.321 33.223 24.057 1.00 0.00 H new ATOM 1544 N GLN A 93 -10.340 36.612 15.606 1.00 0.00 N ATOM 1545 CA GLN A 93 -10.821 36.919 14.265 1.00 0.00 C ATOM 1546 C GLN A 93 -9.700 37.362 13.325 1.00 0.00 C ATOM 1547 O GLN A 93 -9.934 37.417 12.122 1.00 0.00 O ATOM 1548 CB GLN A 93 -11.954 37.950 14.297 1.00 0.00 C ATOM 1549 CG GLN A 93 -13.228 37.393 14.945 1.00 0.00 C ATOM 1550 CD GLN A 93 -14.302 38.468 15.089 1.00 0.00 C ATOM 1551 OE1 GLN A 93 -15.414 38.313 14.591 1.00 0.00 O ATOM 1552 NE2 GLN A 93 -13.979 39.565 15.774 1.00 0.00 N ATOM 0 H GLN A 93 -10.627 37.278 16.323 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.222 35.989 13.862 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.625 38.832 14.847 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.177 38.273 13.280 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.614 36.571 14.342 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.989 36.984 15.926 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.046 39.660 16.174 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.665 40.309 15.898 1.00 0.00 H new ATOM 1561 N GLY A 94 -8.499 37.659 13.839 1.00 0.00 N ATOM 1562 CA GLY A 94 -7.363 38.045 13.006 1.00 0.00 C ATOM 1563 C GLY A 94 -6.330 36.919 12.997 1.00 0.00 C ATOM 1564 O GLY A 94 -5.781 36.580 11.953 1.00 0.00 O ATOM 0 H GLY A 94 -8.293 37.637 14.838 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.698 38.253 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.914 38.962 13.388 1.00 0.00 H new ATOM 1568 N THR A 95 -6.078 36.338 14.171 1.00 0.00 N ATOM 1569 CA THR A 95 -5.135 35.257 14.406 1.00 0.00 C ATOM 1570 C THR A 95 -5.529 34.036 13.623 1.00 0.00 C ATOM 1571 O THR A 95 -4.664 33.423 13.009 1.00 0.00 O ATOM 1572 CB THR A 95 -5.045 34.939 15.914 1.00 0.00 C ATOM 1573 OG1 THR A 95 -4.465 36.051 16.556 1.00 0.00 O ATOM 1574 CG2 THR A 95 -4.231 33.676 16.276 1.00 0.00 C ATOM 0 H THR A 95 -6.554 36.628 15.025 1.00 0.00 H new ATOM 0 HA THR A 95 -4.149 35.575 14.066 1.00 0.00 H new ATOM 0 HB THR A 95 -6.063 34.733 16.246 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.155 36.724 16.731 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.229 33.542 17.358 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.683 32.804 15.803 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.206 33.790 15.923 1.00 0.00 H new ATOM 1582 N LEU A 96 -6.813 33.677 13.627 1.00 0.00 N ATOM 1583 CA LEU A 96 -7.207 32.514 12.857 1.00 0.00 C ATOM 1584 C LEU A 96 -7.224 32.878 11.384 1.00 0.00 C ATOM 1585 O LEU A 96 -6.725 32.130 10.556 1.00 0.00 O ATOM 1586 CB LEU A 96 -8.577 31.966 13.246 1.00 0.00 C ATOM 1587 CG LEU A 96 -8.764 30.606 12.537 1.00 0.00 C ATOM 1588 CD1 LEU A 96 -8.008 29.495 13.253 1.00 0.00 C ATOM 1589 CD2 LEU A 96 -10.176 30.131 12.655 1.00 0.00 C ATOM 0 H LEU A 96 -7.561 34.153 14.131 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.478 31.732 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.647 31.845 14.327 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.363 32.661 12.952 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.431 30.776 11.513 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.162 28.553 12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.944 29.731 13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.376 29.404 14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.281 29.172 12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.434 30.015 13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.844 30.859 12.196 1.00 0.00 H new ATOM 1601 N THR A 97 -7.797 34.038 11.072 1.00 0.00 N ATOM 1602 CA THR A 97 -7.872 34.557 9.710 1.00 0.00 C ATOM 1603 C THR A 97 -6.503 34.538 9.049 1.00 0.00 C ATOM 1604 O THR A 97 -6.394 34.259 7.852 1.00 0.00 O ATOM 1605 CB THR A 97 -8.506 35.963 9.706 1.00 0.00 C ATOM 1606 OG1 THR A 97 -9.910 35.827 9.640 1.00 0.00 O ATOM 1607 CG2 THR A 97 -8.022 36.908 8.604 1.00 0.00 C ATOM 0 H THR A 97 -8.227 34.650 11.766 1.00 0.00 H new ATOM 0 HA THR A 97 -8.518 33.908 9.118 1.00 0.00 H new ATOM 0 HB THR A 97 -8.182 36.436 10.633 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.320 36.300 10.394 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.533 37.866 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.947 37.059 8.701 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.241 36.472 7.629 1.00 0.00 H new ATOM 1615 N GLU A 98 -5.466 34.812 9.839 1.00 0.00 N ATOM 1616 CA GLU A 98 -4.125 34.829 9.326 1.00 0.00 C ATOM 1617 C GLU A 98 -3.527 33.446 9.427 1.00 0.00 C ATOM 1618 O GLU A 98 -2.884 33.037 8.470 1.00 0.00 O ATOM 1619 CB GLU A 98 -3.300 35.911 10.034 1.00 0.00 C ATOM 1620 CG GLU A 98 -1.946 36.123 9.353 1.00 0.00 C ATOM 1621 CD GLU A 98 -1.197 37.305 9.956 1.00 0.00 C ATOM 1622 OE1 GLU A 98 -1.165 37.384 11.204 1.00 0.00 O ATOM 1623 OE2 GLU A 98 -0.674 38.112 9.159 1.00 0.00 O ATOM 0 H GLU A 98 -5.543 35.023 10.834 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.125 35.094 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.856 36.848 10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.144 35.628 11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.343 35.220 9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.096 36.292 8.287 1.00 0.00 H new ATOM 1630 N TYR A 99 -3.731 32.703 10.519 1.00 0.00 N ATOM 1631 CA TYR A 99 -3.143 31.371 10.575 1.00 0.00 C ATOM 1632 C TYR A 99 -3.694 30.481 9.501 1.00 0.00 C ATOM 1633 O TYR A 99 -2.943 29.679 9.014 1.00 0.00 O ATOM 1634 CB TYR A 99 -3.181 30.561 11.890 1.00 0.00 C ATOM 1635 CG TYR A 99 -2.010 29.542 12.073 1.00 0.00 C ATOM 1636 CD1 TYR A 99 -0.797 29.607 11.327 1.00 0.00 C ATOM 1637 CD2 TYR A 99 -2.131 28.500 13.024 1.00 0.00 C ATOM 1638 CE1 TYR A 99 0.239 28.682 11.544 1.00 0.00 C ATOM 1639 CE2 TYR A 99 -1.086 27.570 13.242 1.00 0.00 C ATOM 1640 CZ TYR A 99 0.086 27.670 12.481 1.00 0.00 C ATOM 1641 OH TYR A 99 1.106 26.781 12.596 1.00 0.00 O ATOM 0 H TYR A 99 -4.272 32.986 11.336 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.094 31.639 10.448 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.171 31.257 12.728 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.125 30.019 11.938 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.672 30.380 10.583 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.042 28.413 13.597 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.157 28.759 10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.191 26.794 13.985 1.00 0.00 H new ATOM 0 HH TYR A 99 1.410 26.751 13.527 1.00 0.00 H new ATOM 1651 N CYS A 100 -4.957 30.579 9.119 1.00 0.00 N ATOM 1652 CA CYS A 100 -5.496 29.718 8.078 1.00 0.00 C ATOM 1653 C CYS A 100 -4.770 29.987 6.773 1.00 0.00 C ATOM 1654 O CYS A 100 -4.343 29.059 6.086 1.00 0.00 O ATOM 1655 CB CYS A 100 -7.005 29.971 7.938 1.00 0.00 C ATOM 1656 SG CYS A 100 -7.738 28.912 6.669 1.00 0.00 S ATOM 0 H CYS A 100 -5.625 31.242 9.511 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.347 28.671 8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -7.496 29.789 8.894 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.178 31.017 7.685 1.00 0.00 H new ATOM 0 HG CYS A 100 -9.012 29.155 6.584 1.00 0.00 H new ATOM 1662 N SER A 101 -4.623 31.269 6.445 1.00 0.00 N ATOM 1663 CA SER A 101 -3.946 31.667 5.227 1.00 0.00 C ATOM 1664 C SER A 101 -2.442 31.401 5.263 1.00 0.00 C ATOM 1665 O SER A 101 -1.837 31.100 4.237 1.00 0.00 O ATOM 1666 CB SER A 101 -4.226 33.163 5.015 1.00 0.00 C ATOM 1667 OG SER A 101 -5.613 33.438 5.096 1.00 0.00 O ATOM 0 H SER A 101 -4.966 32.045 7.010 1.00 0.00 H new ATOM 0 HA SER A 101 -4.328 31.069 4.400 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.692 33.746 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.847 33.473 4.041 1.00 0.00 H new ATOM 0 HG SER A 101 -5.841 33.703 6.011 1.00 0.00 H new ATOM 1673 N THR A 102 -1.848 31.541 6.445 1.00 0.00 N ATOM 1674 CA THR A 102 -0.434 31.421 6.722 1.00 0.00 C ATOM 1675 C THR A 102 0.005 29.990 6.933 1.00 0.00 C ATOM 1676 O THR A 102 1.113 29.666 6.537 1.00 0.00 O ATOM 1677 CB THR A 102 -0.052 32.436 7.817 1.00 0.00 C ATOM 1678 OG1 THR A 102 -0.487 33.710 7.392 1.00 0.00 O ATOM 1679 CG2 THR A 102 1.432 32.577 8.133 1.00 0.00 C ATOM 0 H THR A 102 -2.385 31.756 7.286 1.00 0.00 H new ATOM 0 HA THR A 102 0.152 31.694 5.844 1.00 0.00 H new ATOM 0 HB THR A 102 -0.523 32.057 8.724 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.422 33.841 7.654 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.568 33.320 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.825 31.618 8.470 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.966 32.894 7.237 1.00 0.00 H new ATOM 1687 N LEU A 103 -0.837 29.119 7.489 1.00 0.00 N ATOM 1688 CA LEU A 103 -0.515 27.707 7.682 1.00 0.00 C ATOM 1689 C LEU A 103 -0.186 27.150 6.290 1.00 0.00 C ATOM 1690 O LEU A 103 0.748 26.360 6.164 1.00 0.00 O ATOM 1691 CB LEU A 103 -1.699 26.947 8.383 1.00 0.00 C ATOM 1692 CG LEU A 103 -1.580 26.199 9.737 1.00 0.00 C ATOM 1693 CD1 LEU A 103 -2.884 26.207 10.550 1.00 0.00 C ATOM 1694 CD2 LEU A 103 -1.199 24.712 9.633 1.00 0.00 C ATOM 0 H LEU A 103 -1.767 29.376 7.820 1.00 0.00 H new ATOM 0 HA LEU A 103 0.337 27.572 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.495 27.680 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.056 26.212 7.662 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.783 26.763 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.733 25.668 11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.171 27.236 10.767 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.674 25.723 9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.142 24.280 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.954 24.183 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.231 24.618 9.141 1.00 0.00 H new ATOM 1706 N MET A 104 -0.930 27.581 5.250 1.00 0.00 N ATOM 1707 CA MET A 104 -0.701 27.177 3.861 1.00 0.00 C ATOM 1708 C MET A 104 0.234 28.062 3.056 1.00 0.00 C ATOM 1709 O MET A 104 0.534 27.759 1.903 1.00 0.00 O ATOM 1710 CB MET A 104 -2.024 26.886 3.178 1.00 0.00 C ATOM 1711 CG MET A 104 -2.323 25.380 3.261 1.00 0.00 C ATOM 1712 SD MET A 104 -2.173 24.585 4.893 1.00 0.00 S ATOM 1713 CE MET A 104 -0.561 23.755 4.842 1.00 0.00 C ATOM 0 H MET A 104 -1.713 28.226 5.360 1.00 0.00 H new ATOM 0 HA MET A 104 -0.128 26.251 3.905 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.824 27.453 3.654 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.985 27.203 2.136 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.338 25.218 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.653 24.865 2.572 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.304 23.398 5.839 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.608 22.910 4.155 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.199 24.458 4.501 1.00 0.00 H new ATOM 1723 N SER A 105 0.702 29.129 3.689 1.00 0.00 N ATOM 1724 CA SER A 105 1.652 30.065 3.114 1.00 0.00 C ATOM 1725 C SER A 105 3.040 29.592 3.507 1.00 0.00 C ATOM 1726 O SER A 105 3.941 29.618 2.670 1.00 0.00 O ATOM 1727 CB SER A 105 1.423 31.530 3.558 1.00 0.00 C ATOM 1728 OG SER A 105 2.065 32.400 2.649 1.00 0.00 O ATOM 0 H SER A 105 0.423 29.372 4.640 1.00 0.00 H new ATOM 0 HA SER A 105 1.523 30.076 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.356 31.748 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.815 31.683 4.564 1.00 0.00 H new ATOM 0 HG SER A 105 1.920 33.329 2.927 1.00 0.00 H new ATOM 1734 N LEU A 106 3.204 29.168 4.771 1.00 0.00 N ATOM 1735 CA LEU A 106 4.425 28.694 5.322 1.00 0.00 C ATOM 1736 C LEU A 106 5.255 27.886 4.338 1.00 0.00 C ATOM 1737 O LEU A 106 4.717 27.015 3.654 1.00 0.00 O ATOM 1738 CB LEU A 106 4.218 28.039 6.693 1.00 0.00 C ATOM 1739 CG LEU A 106 3.717 28.913 7.864 1.00 0.00 C ATOM 1740 CD1 LEU A 106 4.290 28.414 9.185 1.00 0.00 C ATOM 1741 CD2 LEU A 106 4.068 30.397 7.768 1.00 0.00 C ATOM 0 H LEU A 106 2.437 29.157 5.444 1.00 0.00 H new ATOM 0 HA LEU A 106 5.050 29.565 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.510 27.220 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.167 27.595 6.994 1.00 0.00 H new ATOM 0 HG LEU A 106 2.632 28.822 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.927 29.041 9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.975 27.384 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.378 28.460 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.671 30.922 8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.151 30.513 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.632 30.816 6.861 1.00 0.00 H new ATOM 1753 N PRO A 107 6.568 28.170 4.242 1.00 0.00 N ATOM 1754 CA PRO A 107 7.407 27.451 3.309 1.00 0.00 C ATOM 1755 C PRO A 107 7.722 26.062 3.804 1.00 0.00 C ATOM 1756 O PRO A 107 8.247 25.224 3.074 1.00 0.00 O ATOM 1757 CB PRO A 107 8.662 28.274 3.147 1.00 0.00 C ATOM 1758 CG PRO A 107 8.791 29.005 4.487 1.00 0.00 C ATOM 1759 CD PRO A 107 7.356 29.129 5.015 1.00 0.00 C ATOM 0 HA PRO A 107 6.899 27.317 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.530 27.646 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.578 28.974 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.420 28.447 5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.250 29.985 4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.310 28.905 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.977 30.143 4.885 1.00 0.00 H new ATOM 1767 N THR A 108 7.347 25.819 5.051 1.00 0.00 N ATOM 1768 CA THR A 108 7.492 24.548 5.690 1.00 0.00 C ATOM 1769 C THR A 108 6.279 23.714 5.354 1.00 0.00 C ATOM 1770 O THR A 108 5.891 22.868 6.141 1.00 0.00 O ATOM 1771 CB THR A 108 7.559 24.796 7.191 1.00 0.00 C ATOM 1772 OG1 THR A 108 6.649 25.799 7.590 1.00 0.00 O ATOM 1773 CG2 THR A 108 8.958 25.200 7.606 1.00 0.00 C ATOM 0 H THR A 108 6.924 26.528 5.650 1.00 0.00 H new ATOM 0 HA THR A 108 8.391 24.027 5.360 1.00 0.00 H new ATOM 0 HB THR A 108 7.289 23.862 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.492 25.733 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.983 25.372 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.658 24.404 7.350 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.242 26.115 7.086 1.00 0.00 H new ATOM 1781 N LYS A 109 5.672 23.907 4.186 1.00 0.00 N ATOM 1782 CA LYS A 109 4.525 23.076 3.848 1.00 0.00 C ATOM 1783 C LYS A 109 4.945 21.619 3.674 1.00 0.00 C ATOM 1784 O LYS A 109 4.091 20.743 3.697 1.00 0.00 O ATOM 1785 CB LYS A 109 3.789 23.651 2.608 1.00 0.00 C ATOM 1786 CG LYS A 109 2.422 22.993 2.354 1.00 0.00 C ATOM 1787 CD LYS A 109 1.632 23.773 1.292 1.00 0.00 C ATOM 1788 CE LYS A 109 0.317 23.067 0.919 1.00 0.00 C ATOM 1789 NZ LYS A 109 -0.490 23.857 -0.034 1.00 0.00 N ATOM 0 H LYS A 109 5.940 24.599 3.487 1.00 0.00 H new ATOM 0 HA LYS A 109 3.812 23.092 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.649 24.724 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.417 23.519 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.564 21.963 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.853 22.955 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.413 24.774 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.245 23.893 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.540 22.093 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.265 22.886 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.440 23.440 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.569 24.836 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.030 23.851 -0.967 1.00 0.00 H new ATOM 1803 N ILE A 110 6.252 21.370 3.548 1.00 0.00 N ATOM 1804 CA ILE A 110 6.841 20.046 3.448 1.00 0.00 C ATOM 1805 C ILE A 110 7.176 19.524 4.851 1.00 0.00 C ATOM 1806 O ILE A 110 7.055 18.327 5.105 1.00 0.00 O ATOM 1807 CB ILE A 110 8.074 20.078 2.521 1.00 0.00 C ATOM 1808 CG1 ILE A 110 7.685 20.646 1.141 1.00 0.00 C ATOM 1809 CG2 ILE A 110 8.675 18.670 2.373 1.00 0.00 C ATOM 1810 CD1 ILE A 110 8.866 20.753 0.170 1.00 0.00 C ATOM 0 H ILE A 110 6.947 22.116 3.512 1.00 0.00 H new ATOM 0 HA ILE A 110 6.126 19.355 3.001 1.00 0.00 H new ATOM 0 HB ILE A 110 8.828 20.726 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.917 20.011 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.244 21.634 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.544 18.712 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.979 18.299 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 110 7.929 17.999 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.520 21.160 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.625 21.412 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.294 19.764 0.007 1.00 0.00 H new ATOM 1822 N SER A 111 7.601 20.408 5.764 1.00 0.00 N ATOM 1823 CA SER A 111 7.977 20.037 7.122 1.00 0.00 C ATOM 1824 C SER A 111 6.754 19.851 8.015 1.00 0.00 C ATOM 1825 O SER A 111 6.651 18.873 8.753 1.00 0.00 O ATOM 1826 CB SER A 111 8.955 21.068 7.699 1.00 0.00 C ATOM 1827 OG SER A 111 9.426 20.660 8.967 1.00 0.00 O ATOM 0 H SER A 111 7.692 21.406 5.573 1.00 0.00 H new ATOM 0 HA SER A 111 8.483 19.072 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.796 21.198 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.461 22.036 7.784 1.00 0.00 H new ATOM 0 HG SER A 111 10.049 21.331 9.316 1.00 0.00 H new ATOM 1833 N ARG A 112 5.828 20.805 7.936 1.00 0.00 N ATOM 1834 CA ARG A 112 4.596 20.809 8.710 1.00 0.00 C ATOM 1835 C ARG A 112 3.491 20.002 8.044 1.00 0.00 C ATOM 1836 O ARG A 112 2.444 19.835 8.660 1.00 0.00 O ATOM 1837 CB ARG A 112 4.218 22.241 9.079 1.00 0.00 C ATOM 1838 CG ARG A 112 3.288 22.939 8.077 1.00 0.00 C ATOM 1839 CD ARG A 112 3.493 24.457 8.105 1.00 0.00 C ATOM 1840 NE ARG A 112 3.945 24.933 9.421 1.00 0.00 N ATOM 1841 CZ ARG A 112 3.176 25.237 10.473 1.00 0.00 C ATOM 1842 NH1 ARG A 112 1.851 25.072 10.406 1.00 0.00 N ATOM 1843 NH2 ARG A 112 3.738 25.721 11.585 1.00 0.00 N ATOM 0 H ARG A 112 5.919 21.612 7.318 1.00 0.00 H new ATOM 0 HA ARG A 112 4.760 20.285 9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.736 22.234 10.057 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.130 22.829 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.480 22.561 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.250 22.704 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.226 24.737 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.558 24.953 7.843 1.00 0.00 H new ATOM 0 HE ARG A 112 4.951 25.043 9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.424 24.714 9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.267 25.304 11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.748 25.857 11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.157 25.955 12.390 1.00 0.00 H new ATOM 1857 N CYS A 113 3.735 19.485 6.827 1.00 0.00 N ATOM 1858 CA CYS A 113 2.817 18.621 6.088 1.00 0.00 C ATOM 1859 C CYS A 113 2.071 17.670 7.042 1.00 0.00 C ATOM 1860 O CYS A 113 0.859 17.811 7.188 1.00 0.00 O ATOM 1861 CB CYS A 113 3.570 17.860 4.971 1.00 0.00 C ATOM 1862 SG CYS A 113 2.625 16.458 4.331 1.00 0.00 S ATOM 0 H CYS A 113 4.603 19.666 6.322 1.00 0.00 H new ATOM 0 HA CYS A 113 2.062 19.241 5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.793 18.547 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 113 4.525 17.504 5.358 1.00 0.00 H new ATOM 0 HG CYS A 113 3.308 15.864 3.398 1.00 0.00 H new ATOM 1868 N PRO A 114 2.745 16.720 7.718 1.00 0.00 N ATOM 1869 CA PRO A 114 2.084 15.783 8.615 1.00 0.00 C ATOM 1870 C PRO A 114 1.377 16.440 9.778 1.00 0.00 C ATOM 1871 O PRO A 114 0.345 15.933 10.197 1.00 0.00 O ATOM 1872 CB PRO A 114 3.152 14.782 9.057 1.00 0.00 C ATOM 1873 CG PRO A 114 4.447 15.583 8.919 1.00 0.00 C ATOM 1874 CD PRO A 114 4.175 16.449 7.689 1.00 0.00 C ATOM 0 HA PRO A 114 1.272 15.280 8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 114 2.992 14.446 10.081 1.00 0.00 H new ATOM 0 HB3 PRO A 114 3.158 13.893 8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.646 16.187 9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.311 14.935 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 114 4.751 17.374 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.459 15.931 6.773 1.00 0.00 H new ATOM 1882 N HIS A 115 1.889 17.559 10.287 1.00 0.00 N ATOM 1883 CA HIS A 115 1.210 18.229 11.381 1.00 0.00 C ATOM 1884 C HIS A 115 -0.145 18.726 10.855 1.00 0.00 C ATOM 1885 O HIS A 115 -1.187 18.439 11.444 1.00 0.00 O ATOM 1886 CB HIS A 115 2.094 19.286 12.060 1.00 0.00 C ATOM 1887 CG HIS A 115 1.785 19.503 13.531 1.00 0.00 C ATOM 1888 ND1 HIS A 115 1.381 18.487 14.389 1.00 0.00 N ATOM 1889 CD2 HIS A 115 1.813 20.627 14.320 1.00 0.00 C ATOM 1890 CE1 HIS A 115 1.190 19.031 15.604 1.00 0.00 C ATOM 1891 NE2 HIS A 115 1.440 20.338 15.626 1.00 0.00 N ATOM 0 H HIS A 115 2.748 18.007 9.967 1.00 0.00 H new ATOM 0 HA HIS A 115 1.008 17.540 12.201 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.138 18.990 11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.979 20.233 11.532 1.00 0.00 H new ATOM 0 HD2 HIS A 115 2.090 21.610 13.969 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.869 18.468 16.468 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.373 20.978 16.417 1.00 0.00 H new ATOM 1899 N LEU A 116 -0.161 19.448 9.724 1.00 0.00 N ATOM 1900 CA LEU A 116 -1.408 19.909 9.160 1.00 0.00 C ATOM 1901 C LEU A 116 -2.376 18.745 8.898 1.00 0.00 C ATOM 1902 O LEU A 116 -3.527 18.751 9.329 1.00 0.00 O ATOM 1903 CB LEU A 116 -1.215 20.739 7.892 1.00 0.00 C ATOM 1904 CG LEU A 116 -2.403 21.680 7.633 1.00 0.00 C ATOM 1905 CD1 LEU A 116 -2.916 21.546 6.195 1.00 0.00 C ATOM 1906 CD2 LEU A 116 -3.667 21.519 8.445 1.00 0.00 C ATOM 0 H LEU A 116 0.672 19.715 9.199 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.850 20.565 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.300 21.325 7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.087 20.073 7.039 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.935 22.626 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.756 22.224 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.116 21.798 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.241 20.521 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.398 22.264 8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.075 20.521 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.440 21.657 9.502 1.00 0.00 H new ATOM 1918 N LEU A 117 -1.908 17.710 8.206 1.00 0.00 N ATOM 1919 CA LEU A 117 -2.707 16.508 7.985 1.00 0.00 C ATOM 1920 C LEU A 117 -3.233 16.013 9.333 1.00 0.00 C ATOM 1921 O LEU A 117 -4.394 15.653 9.421 1.00 0.00 O ATOM 1922 CB LEU A 117 -1.946 15.431 7.212 1.00 0.00 C ATOM 1923 CG LEU A 117 -1.842 15.624 5.678 1.00 0.00 C ATOM 1924 CD1 LEU A 117 -0.505 16.190 5.226 1.00 0.00 C ATOM 1925 CD2 LEU A 117 -2.025 14.263 5.036 1.00 0.00 C ATOM 0 H LEU A 117 -0.978 17.679 7.788 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.555 16.756 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.936 15.370 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.425 14.471 7.403 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.606 16.342 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.504 16.298 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.348 17.165 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.296 15.513 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.958 14.360 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.246 13.587 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.003 13.863 5.304 1.00 0.00 H new ATOM 1937 N ASP A 118 -2.428 16.038 10.391 1.00 0.00 N ATOM 1938 CA ASP A 118 -2.860 15.662 11.740 1.00 0.00 C ATOM 1939 C ASP A 118 -3.691 16.747 12.465 1.00 0.00 C ATOM 1940 O ASP A 118 -4.153 16.529 13.580 1.00 0.00 O ATOM 1941 CB ASP A 118 -1.602 15.424 12.584 1.00 0.00 C ATOM 1942 CG ASP A 118 -0.907 14.095 12.306 1.00 0.00 C ATOM 1943 OD1 ASP A 118 -1.508 13.258 11.594 1.00 0.00 O ATOM 1944 OD2 ASP A 118 0.217 13.936 12.829 1.00 0.00 O ATOM 0 H ASP A 118 -1.450 16.321 10.340 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.494 14.782 11.632 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.897 16.235 12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.872 15.467 13.639 1.00 0.00 H new ATOM 1949 N PHE A 119 -3.890 17.915 11.854 1.00 0.00 N ATOM 1950 CA PHE A 119 -4.659 19.072 12.334 1.00 0.00 C ATOM 1951 C PHE A 119 -6.089 18.756 11.918 1.00 0.00 C ATOM 1952 O PHE A 119 -7.055 18.974 12.646 1.00 0.00 O ATOM 1953 CB PHE A 119 -4.144 20.358 11.595 1.00 0.00 C ATOM 1954 CG PHE A 119 -4.015 21.752 12.222 1.00 0.00 C ATOM 1955 CD1 PHE A 119 -4.941 22.150 13.188 1.00 0.00 C ATOM 1956 CD2 PHE A 119 -2.987 22.668 11.866 1.00 0.00 C ATOM 1957 CE1 PHE A 119 -4.886 23.392 13.833 1.00 0.00 C ATOM 1958 CE2 PHE A 119 -2.925 23.900 12.532 1.00 0.00 C ATOM 1959 CZ PHE A 119 -3.858 24.276 13.507 1.00 0.00 C ATOM 0 H PHE A 119 -3.486 18.095 10.935 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.571 19.248 13.406 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.152 20.108 11.220 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.791 20.481 10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -5.737 21.468 13.450 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.269 22.420 11.098 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.628 23.661 14.571 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.128 24.585 12.284 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.782 25.235 13.998 1.00 0.00 H new ATOM 1969 N PHE A 120 -6.184 18.242 10.696 1.00 0.00 N ATOM 1970 CA PHE A 120 -7.394 17.892 9.998 1.00 0.00 C ATOM 1971 C PHE A 120 -7.890 16.472 10.207 1.00 0.00 C ATOM 1972 O PHE A 120 -9.035 16.276 10.595 1.00 0.00 O ATOM 1973 CB PHE A 120 -7.024 18.011 8.521 1.00 0.00 C ATOM 1974 CG PHE A 120 -6.819 19.378 7.931 1.00 0.00 C ATOM 1975 CD1 PHE A 120 -7.461 20.500 8.463 1.00 0.00 C ATOM 1976 CD2 PHE A 120 -6.000 19.513 6.805 1.00 0.00 C ATOM 1977 CE1 PHE A 120 -7.331 21.753 7.855 1.00 0.00 C ATOM 1978 CE2 PHE A 120 -5.885 20.762 6.181 1.00 0.00 C ATOM 1979 CZ PHE A 120 -6.552 21.877 6.700 1.00 0.00 C ATOM 0 H PHE A 120 -5.353 18.050 10.137 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.191 18.540 10.362 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.107 17.444 8.364 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.806 17.517 7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -8.064 20.398 9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.460 18.661 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -7.827 22.616 8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -5.278 20.865 5.294 1.00 0.00 H new ATOM 0 HZ PHE A 120 -6.465 22.835 6.208 1.00 0.00 H new ATOM 1989 N LYS A 121 -7.057 15.480 9.907 1.00 0.00 N ATOM 1990 CA LYS A 121 -7.422 14.078 9.996 1.00 0.00 C ATOM 1991 C LYS A 121 -7.821 13.679 11.420 1.00 0.00 C ATOM 1992 O LYS A 121 -8.559 12.713 11.601 1.00 0.00 O ATOM 1993 CB LYS A 121 -6.425 13.181 9.245 1.00 0.00 C ATOM 1994 CG LYS A 121 -5.287 12.593 10.077 1.00 0.00 C ATOM 1995 CD LYS A 121 -4.037 12.281 9.230 1.00 0.00 C ATOM 1996 CE LYS A 121 -4.313 11.509 7.927 1.00 0.00 C ATOM 1997 NZ LYS A 121 -3.139 11.500 7.029 1.00 0.00 N ATOM 0 H LYS A 121 -6.099 15.633 9.592 1.00 0.00 H new ATOM 0 HA LYS A 121 -8.347 13.902 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -6.978 12.358 8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.990 13.760 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.020 13.293 10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.630 11.679 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.541 13.219 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.340 11.703 9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -4.594 10.483 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.161 11.960 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.459 11.522 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.549 12.334 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.583 10.637 7.194 1.00 0.00 H new ATOM 2011 N VAL A 122 -7.349 14.449 12.412 1.00 0.00 N ATOM 2012 CA VAL A 122 -7.637 14.254 13.825 1.00 0.00 C ATOM 2013 C VAL A 122 -8.867 15.065 14.218 1.00 0.00 C ATOM 2014 O VAL A 122 -9.772 14.490 14.820 1.00 0.00 O ATOM 2015 CB VAL A 122 -6.394 14.542 14.667 1.00 0.00 C ATOM 2016 CG1 VAL A 122 -6.619 14.169 16.137 1.00 0.00 C ATOM 2017 CG2 VAL A 122 -5.248 13.703 14.085 1.00 0.00 C ATOM 0 H VAL A 122 -6.738 15.247 12.238 1.00 0.00 H new ATOM 0 HA VAL A 122 -7.886 13.212 14.023 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.162 15.607 14.636 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.717 14.386 16.709 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -7.451 14.750 16.537 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.850 13.106 16.212 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.339 13.880 14.660 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.509 12.646 14.136 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.081 13.986 13.046 1.00 0.00 H new ATOM 2027 N ARG A 123 -8.929 16.359 13.840 1.00 0.00 N ATOM 2028 CA ARG A 123 -10.099 17.219 14.066 1.00 0.00 C ATOM 2029 C ARG A 123 -10.777 16.996 15.416 1.00 0.00 C ATOM 2030 O ARG A 123 -11.876 16.439 15.469 1.00 0.00 O ATOM 2031 CB ARG A 123 -11.084 17.098 12.887 1.00 0.00 C ATOM 2032 CG ARG A 123 -11.357 15.649 12.429 1.00 0.00 C ATOM 2033 CD ARG A 123 -12.008 15.523 11.047 1.00 0.00 C ATOM 2034 NE ARG A 123 -11.699 14.205 10.475 1.00 0.00 N ATOM 2035 CZ ARG A 123 -12.129 13.030 10.962 1.00 0.00 C ATOM 2036 NH1 ARG A 123 -13.206 12.962 11.753 1.00 0.00 N ATOM 2037 NH2 ARG A 123 -11.459 11.912 10.657 1.00 0.00 N ATOM 0 H ARG A 123 -8.161 16.835 13.367 1.00 0.00 H new ATOM 0 HA ARG A 123 -9.735 18.246 14.110 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.029 17.561 13.171 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.692 17.665 12.043 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.415 15.101 12.422 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -12.001 15.166 13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.087 15.651 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -11.643 16.311 10.389 1.00 0.00 H new ATOM 0 HE ARG A 123 -11.111 14.181 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -13.715 13.812 11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -13.518 12.060 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -10.632 11.959 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -11.775 11.013 11.020 1.00 0.00 H new ATOM 2051 N PRO A 124 -10.149 17.438 16.516 1.00 0.00 N ATOM 2052 CA PRO A 124 -10.690 17.260 17.849 1.00 0.00 C ATOM 2053 C PRO A 124 -11.904 18.117 18.195 1.00 0.00 C ATOM 2054 O PRO A 124 -12.191 18.334 19.370 1.00 0.00 O ATOM 2055 CB PRO A 124 -9.501 17.454 18.794 1.00 0.00 C ATOM 2056 CG PRO A 124 -8.680 18.502 18.045 1.00 0.00 C ATOM 2057 CD PRO A 124 -8.859 18.106 16.578 1.00 0.00 C ATOM 0 HA PRO A 124 -11.124 16.265 17.942 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -9.813 17.804 19.778 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -8.944 16.530 18.947 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -9.045 19.511 18.237 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -7.632 18.480 18.343 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -8.838 18.981 15.929 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -8.057 17.445 16.248 1.00 0.00 H new ATOM 2065 N ASP A 125 -12.651 18.542 17.177 1.00 0.00 N ATOM 2066 CA ASP A 125 -13.905 19.252 17.338 1.00 0.00 C ATOM 2067 C ASP A 125 -14.908 18.798 16.269 1.00 0.00 C ATOM 2068 O ASP A 125 -16.004 19.343 16.189 1.00 0.00 O ATOM 2069 CB ASP A 125 -13.723 20.775 17.452 1.00 0.00 C ATOM 2070 CG ASP A 125 -13.332 21.249 18.845 1.00 0.00 C ATOM 2071 OD1 ASP A 125 -14.085 20.933 19.790 1.00 0.00 O ATOM 2072 OD2 ASP A 125 -12.347 22.010 18.951 1.00 0.00 O ATOM 0 H ASP A 125 -12.391 18.396 16.202 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.338 18.983 18.302 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -12.959 21.093 16.743 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.652 21.265 17.160 1.00 0.00 H new ATOM 2077 N ASP A 126 -14.561 17.775 15.475 1.00 0.00 N ATOM 2078 CA ASP A 126 -15.439 17.186 14.481 1.00 0.00 C ATOM 2079 C ASP A 126 -16.015 15.894 15.054 1.00 0.00 C ATOM 2080 O ASP A 126 -17.229 15.704 15.036 1.00 0.00 O ATOM 2081 CB ASP A 126 -14.660 16.860 13.205 1.00 0.00 C ATOM 2082 CG ASP A 126 -15.468 15.991 12.248 1.00 0.00 C ATOM 2083 OD1 ASP A 126 -16.361 16.542 11.575 1.00 0.00 O ATOM 2084 OD2 ASP A 126 -15.155 14.782 12.198 1.00 0.00 O ATOM 0 H ASP A 126 -13.643 17.333 15.515 1.00 0.00 H new ATOM 0 HA ASP A 126 -16.234 17.891 14.237 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -14.380 17.787 12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -13.734 16.347 13.467 1.00 0.00 H new