USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot -179:sc= 2.37 USER MOD Set 1.2: A 104 THR OG1 : rot 82:sc= 1.04 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.124 K(o=0.8,f=-5.5!) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -122:sc= 0.925 (180deg=-0.0321) USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 83 SER OG : rot -49:sc= 0.47 USER MOD Set 4.1: A 28 SER OG : rot 47:sc= 1.21 USER MOD Set 4.2: A 64 THR OG1 : rot 82:sc= 2.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.95 (180deg=0.414) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 3 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.032) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000891) USER MOD Single : A 11 GLN : amide:sc= 1.14 K(o=1.1,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 0.745 (180deg=0.56) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.03! C(o=-2!,f=-8.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -121:sc= 1.97 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0.933 (180deg=0.301) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 175:sc= 0 USER MOD Single : A 57 MET CE :methyl -144:sc= -0.103 (180deg=-1.86) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 67:sc= 0.754 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc=-0.00448 (180deg=-0.101) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HE2:sc= 0.886 K(o=0.89,f=-3.3!) USER MOD Single : A 99 LYS NZ :NH3+ -158:sc= -0.0238 (180deg=-0.473) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0223 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.098 -11.306 4.646 1.00 0.00 N ATOM 2 CA MET A 1 9.738 -11.756 4.286 1.00 0.00 C ATOM 3 C MET A 1 8.863 -12.051 5.519 1.00 0.00 C ATOM 4 O MET A 1 8.228 -13.103 5.575 1.00 0.00 O ATOM 5 CB MET A 1 9.823 -12.959 3.322 1.00 0.00 C ATOM 6 CG MET A 1 10.718 -14.100 3.820 1.00 0.00 C ATOM 7 SD MET A 1 11.272 -15.228 2.524 1.00 0.00 S ATOM 8 CE MET A 1 12.619 -16.001 3.454 1.00 0.00 C ATOM 0 H1 MET A 1 11.739 -11.460 3.842 1.00 0.00 H new ATOM 0 H2 MET A 1 11.077 -10.294 4.883 1.00 0.00 H new ATOM 0 H3 MET A 1 11.437 -11.847 5.467 1.00 0.00 H new ATOM 0 HA MET A 1 9.237 -10.937 3.770 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.818 -13.347 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.197 -12.613 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.592 -13.673 4.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.175 -14.670 4.574 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.110 -16.748 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.342 -15.240 3.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.217 -16.481 4.346 1.00 0.00 H new ATOM 16 N ASN A 2 8.785 -11.157 6.520 1.00 0.00 N ATOM 17 CA ASN A 2 8.097 -11.466 7.790 1.00 0.00 C ATOM 18 C ASN A 2 6.590 -11.670 7.577 1.00 0.00 C ATOM 19 O ASN A 2 5.867 -10.678 7.501 1.00 0.00 O ATOM 20 CB ASN A 2 8.295 -10.369 8.857 1.00 0.00 C ATOM 21 CG ASN A 2 9.598 -10.453 9.641 1.00 0.00 C ATOM 22 OD1 ASN A 2 10.072 -11.508 10.042 1.00 0.00 O ATOM 23 ND2 ASN A 2 10.238 -9.327 9.884 1.00 0.00 N ATOM 0 H ASN A 2 9.186 -10.220 6.477 1.00 0.00 H new ATOM 0 HA ASN A 2 8.551 -12.389 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.246 -9.396 8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.463 -10.414 9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.117 -9.341 10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.854 -8.441 9.555 1.00 0.00 H new ATOM 29 N ASN A 3 6.110 -12.917 7.519 1.00 0.00 N ATOM 30 CA ASN A 3 4.699 -13.306 7.383 1.00 0.00 C ATOM 31 C ASN A 3 3.970 -12.500 6.298 1.00 0.00 C ATOM 32 O ASN A 3 2.915 -11.899 6.525 1.00 0.00 O ATOM 33 CB ASN A 3 4.007 -13.245 8.754 1.00 0.00 C ATOM 34 CG ASN A 3 2.635 -13.904 8.754 1.00 0.00 C ATOM 35 OD1 ASN A 3 1.660 -13.309 9.215 1.00 0.00 O ATOM 36 ND2 ASN A 3 2.516 -15.151 8.333 1.00 0.00 N ATOM 0 H ASN A 3 6.728 -13.727 7.568 1.00 0.00 H new ATOM 0 HA ASN A 3 4.655 -14.339 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.639 -13.733 9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.904 -12.203 9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.614 -15.624 8.389 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.326 -15.640 7.952 1.00 0.00 H new ATOM 42 N LEU A 4 4.593 -12.474 5.119 1.00 0.00 N ATOM 43 CA LEU A 4 4.220 -11.724 3.929 1.00 0.00 C ATOM 44 C LEU A 4 2.759 -11.937 3.534 1.00 0.00 C ATOM 45 O LEU A 4 2.446 -12.972 2.950 1.00 0.00 O ATOM 46 CB LEU A 4 5.175 -12.128 2.794 1.00 0.00 C ATOM 47 CG LEU A 4 5.081 -11.220 1.559 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.661 -9.844 1.923 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.879 -11.865 0.420 1.00 0.00 C ATOM 0 H LEU A 4 5.439 -13.023 4.964 1.00 0.00 H new ATOM 0 HA LEU A 4 4.311 -10.658 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.198 -12.113 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.960 -13.154 2.497 1.00 0.00 H new ATOM 0 HG LEU A 4 4.047 -11.094 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.603 -9.184 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.090 -9.414 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.702 -9.956 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.823 -11.233 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.920 -11.975 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.461 -12.846 0.193 1.00 0.00 H new ATOM 60 N LYS A 5 1.876 -10.994 3.868 1.00 0.00 N ATOM 61 CA LYS A 5 0.434 -10.991 3.586 1.00 0.00 C ATOM 62 C LYS A 5 -0.167 -9.684 4.090 1.00 0.00 C ATOM 63 O LYS A 5 0.540 -8.802 4.559 1.00 0.00 O ATOM 64 CB LYS A 5 -0.280 -12.219 4.210 1.00 0.00 C ATOM 65 CG LYS A 5 -0.549 -13.330 3.176 1.00 0.00 C ATOM 66 CD LYS A 5 -1.897 -14.015 3.410 1.00 0.00 C ATOM 67 CE LYS A 5 -2.145 -15.102 2.362 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.328 -16.309 2.599 1.00 0.00 N ATOM 0 H LYS A 5 2.165 -10.157 4.375 1.00 0.00 H new ATOM 0 HA LYS A 5 0.286 -11.065 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.331 -12.619 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.224 -11.901 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.528 -12.905 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.248 -14.072 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.918 -14.454 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.697 -13.276 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.200 -15.374 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.923 -14.705 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.544 -17.022 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.319 -16.060 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.545 -16.696 3.540 1.00 0.00 H new ATOM 78 N LEU A 6 -1.472 -9.512 3.926 1.00 0.00 N ATOM 79 CA LEU A 6 -2.248 -8.350 4.297 1.00 0.00 C ATOM 80 C LEU A 6 -3.242 -8.761 5.379 1.00 0.00 C ATOM 81 O LEU A 6 -3.618 -9.933 5.457 1.00 0.00 O ATOM 82 CB LEU A 6 -2.971 -7.746 3.092 1.00 0.00 C ATOM 83 CG LEU A 6 -3.081 -8.592 1.817 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.768 -8.608 1.015 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.671 -9.992 2.050 1.00 0.00 C ATOM 0 H LEU A 6 -2.051 -10.235 3.500 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.580 -7.578 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.981 -7.484 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.466 -6.815 2.832 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.817 -8.089 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.895 -9.219 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.507 -7.590 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.971 -9.025 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.717 -10.530 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.040 -10.541 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.675 -9.899 2.464 1.00 0.00 H new ATOM 96 N ASP A 7 -3.706 -7.796 6.169 1.00 0.00 N ATOM 97 CA ASP A 7 -4.470 -8.065 7.387 1.00 0.00 C ATOM 98 C ASP A 7 -5.943 -7.712 7.233 1.00 0.00 C ATOM 99 O ASP A 7 -6.832 -8.530 7.470 1.00 0.00 O ATOM 100 CB ASP A 7 -3.890 -7.254 8.548 1.00 0.00 C ATOM 101 CG ASP A 7 -4.004 -7.957 9.903 1.00 0.00 C ATOM 102 OD1 ASP A 7 -4.470 -9.115 9.983 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.610 -7.304 10.901 1.00 0.00 O ATOM 0 H ASP A 7 -3.563 -6.803 5.983 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.395 -9.134 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.840 -7.043 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.403 -6.294 8.602 1.00 0.00 H new ATOM 107 N ILE A 8 -6.140 -6.474 6.768 1.00 0.00 N ATOM 108 CA ILE A 8 -7.355 -5.861 6.275 1.00 0.00 C ATOM 109 C ILE A 8 -8.410 -5.647 7.374 1.00 0.00 C ATOM 110 O ILE A 8 -8.826 -6.550 8.093 1.00 0.00 O ATOM 111 CB ILE A 8 -7.845 -6.623 5.032 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.747 -6.635 3.950 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.086 -5.923 4.468 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.109 -7.429 2.693 1.00 0.00 C ATOM 0 H ILE A 8 -5.362 -5.815 6.728 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.140 -4.842 5.953 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.085 -7.648 5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.524 -5.607 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.836 -7.052 4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.437 -6.459 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.872 -5.912 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.833 -4.899 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.282 -7.385 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.302 -8.468 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.001 -7.000 2.236 1.00 0.00 H new ATOM 125 N VAL A 9 -8.845 -4.394 7.488 1.00 0.00 N ATOM 126 CA VAL A 9 -9.797 -3.866 8.452 1.00 0.00 C ATOM 127 C VAL A 9 -10.658 -2.831 7.739 1.00 0.00 C ATOM 128 O VAL A 9 -10.190 -1.742 7.439 1.00 0.00 O ATOM 129 CB VAL A 9 -9.053 -3.349 9.708 1.00 0.00 C ATOM 130 CG1 VAL A 9 -10.026 -2.764 10.738 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.209 -4.444 10.385 1.00 0.00 C ATOM 0 H VAL A 9 -8.511 -3.666 6.856 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.471 -4.635 8.830 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.384 -2.565 9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.469 -2.411 11.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.570 -1.931 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.733 -3.533 11.049 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.709 -4.029 11.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.857 -5.265 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.463 -4.815 9.682 1.00 0.00 H new ATOM 141 N GLU A 10 -11.882 -3.168 7.338 1.00 0.00 N ATOM 142 CA GLU A 10 -12.801 -2.179 6.789 1.00 0.00 C ATOM 143 C GLU A 10 -13.245 -1.293 7.948 1.00 0.00 C ATOM 144 O GLU A 10 -14.031 -1.723 8.799 1.00 0.00 O ATOM 145 CB GLU A 10 -13.984 -2.813 6.035 1.00 0.00 C ATOM 146 CG GLU A 10 -13.591 -3.178 4.591 1.00 0.00 C ATOM 147 CD GLU A 10 -14.790 -3.388 3.653 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.896 -3.745 4.119 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.619 -3.229 2.421 1.00 0.00 O ATOM 0 H GLU A 10 -12.257 -4.115 7.383 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.297 -1.581 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.317 -3.707 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.825 -2.119 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.960 -2.387 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.991 -4.088 4.607 1.00 0.00 H new ATOM 154 N GLN A 11 -12.740 -0.058 7.988 1.00 0.00 N ATOM 155 CA GLN A 11 -13.148 0.923 8.971 1.00 0.00 C ATOM 156 C GLN A 11 -14.497 1.514 8.511 1.00 0.00 C ATOM 157 O GLN A 11 -15.227 0.897 7.732 1.00 0.00 O ATOM 158 CB GLN A 11 -12.084 2.014 9.186 1.00 0.00 C ATOM 159 CG GLN A 11 -12.092 2.512 10.642 1.00 0.00 C ATOM 160 CD GLN A 11 -11.537 3.929 10.790 1.00 0.00 C ATOM 161 OE1 GLN A 11 -10.380 4.194 10.475 1.00 0.00 O ATOM 162 NE2 GLN A 11 -12.345 4.866 11.255 1.00 0.00 N ATOM 0 H GLN A 11 -12.035 0.282 7.334 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.263 0.443 9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.098 1.620 8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.272 2.849 8.511 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.113 2.485 11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.504 1.831 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.304 4.631 11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.010 5.824 11.356 1.00 0.00 H new ATOM 169 N ASP A 12 -14.856 2.705 8.992 1.00 0.00 N ATOM 170 CA ASP A 12 -16.208 3.237 8.833 1.00 0.00 C ATOM 171 C ASP A 12 -16.491 3.496 7.358 1.00 0.00 C ATOM 172 O ASP A 12 -17.518 3.079 6.817 1.00 0.00 O ATOM 173 CB ASP A 12 -16.376 4.539 9.627 1.00 0.00 C ATOM 174 CG ASP A 12 -16.216 4.301 11.119 1.00 0.00 C ATOM 175 OD1 ASP A 12 -17.184 3.829 11.758 1.00 0.00 O ATOM 176 OD2 ASP A 12 -15.103 4.515 11.650 1.00 0.00 O ATOM 0 H ASP A 12 -14.222 3.323 9.499 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.915 2.502 9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.639 5.269 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.360 4.964 9.428 1.00 0.00 H new ATOM 180 N ASP A 13 -15.545 4.158 6.698 1.00 0.00 N ATOM 181 CA ASP A 13 -15.590 4.605 5.303 1.00 0.00 C ATOM 182 C ASP A 13 -14.270 4.317 4.583 1.00 0.00 C ATOM 183 O ASP A 13 -14.188 4.407 3.355 1.00 0.00 O ATOM 184 CB ASP A 13 -15.899 6.108 5.241 1.00 0.00 C ATOM 185 CG ASP A 13 -14.819 6.954 5.908 1.00 0.00 C ATOM 186 OD1 ASP A 13 -13.749 7.137 5.291 1.00 0.00 O ATOM 187 OD2 ASP A 13 -15.061 7.426 7.041 1.00 0.00 O ATOM 0 H ASP A 13 -14.668 4.415 7.150 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.381 4.050 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.002 6.412 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.857 6.299 5.725 1.00 0.00 H new ATOM 191 N LYS A 14 -13.250 3.902 5.332 1.00 0.00 N ATOM 192 CA LYS A 14 -11.861 3.813 4.929 1.00 0.00 C ATOM 193 C LYS A 14 -11.393 2.383 5.136 1.00 0.00 C ATOM 194 O LYS A 14 -11.666 1.793 6.176 1.00 0.00 O ATOM 195 CB LYS A 14 -11.058 4.880 5.701 1.00 0.00 C ATOM 196 CG LYS A 14 -11.261 4.919 7.224 1.00 0.00 C ATOM 197 CD LYS A 14 -10.706 6.200 7.853 1.00 0.00 C ATOM 198 CE LYS A 14 -9.192 6.072 7.888 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.534 7.208 8.567 1.00 0.00 N ATOM 0 H LYS A 14 -13.388 3.601 6.297 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.711 4.031 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.998 4.721 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.315 5.859 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.325 4.838 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.773 4.055 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.004 7.073 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.103 6.336 8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.922 5.146 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.815 5.997 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.540 6.970 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.578 8.050 7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.021 7.405 9.465 1.00 0.00 H new ATOM 209 N ALA A 15 -10.816 1.773 4.106 1.00 0.00 N ATOM 210 CA ALA A 15 -10.326 0.405 4.181 1.00 0.00 C ATOM 211 C ALA A 15 -8.912 0.467 4.745 1.00 0.00 C ATOM 212 O ALA A 15 -8.014 0.914 4.033 1.00 0.00 O ATOM 213 CB ALA A 15 -10.360 -0.244 2.791 1.00 0.00 C ATOM 0 H ALA A 15 -10.676 2.214 3.197 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.953 -0.209 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.991 -1.268 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.384 -0.251 2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.729 0.325 2.108 1.00 0.00 H new ATOM 219 N ILE A 16 -8.698 0.061 6.003 1.00 0.00 N ATOM 220 CA ILE A 16 -7.339 -0.060 6.519 1.00 0.00 C ATOM 221 C ILE A 16 -6.787 -1.371 5.937 1.00 0.00 C ATOM 222 O ILE A 16 -7.260 -2.449 6.300 1.00 0.00 O ATOM 223 CB ILE A 16 -7.387 -0.027 8.065 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.911 1.324 8.604 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.030 -0.372 8.705 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.401 1.205 10.052 1.00 0.00 C ATOM 0 H ILE A 16 -9.434 -0.183 6.666 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.680 0.758 6.228 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.095 -0.803 8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.118 2.070 8.548 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.726 1.677 7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.120 -0.334 9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.728 -1.374 8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.280 0.348 8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.761 2.175 10.395 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.211 0.478 10.103 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.579 0.878 10.689 1.00 0.00 H new ATOM 237 N VAL A 17 -5.843 -1.343 4.999 1.00 0.00 N ATOM 238 CA VAL A 17 -5.080 -2.521 4.589 1.00 0.00 C ATOM 239 C VAL A 17 -3.783 -2.437 5.362 1.00 0.00 C ATOM 240 O VAL A 17 -2.866 -1.695 5.010 1.00 0.00 O ATOM 241 CB VAL A 17 -4.886 -2.546 3.057 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.121 -3.804 2.617 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.236 -2.507 2.324 1.00 0.00 C ATOM 0 H VAL A 17 -5.583 -0.494 4.497 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.591 -3.458 4.811 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.308 -1.659 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.999 -3.795 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.140 -3.819 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.680 -4.692 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.066 -2.526 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.832 -3.373 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.769 -1.595 2.591 1.00 0.00 H new ATOM 253 N ARG A 18 -3.717 -3.158 6.475 1.00 0.00 N ATOM 254 CA ARG A 18 -2.414 -3.349 7.103 1.00 0.00 C ATOM 255 C ARG A 18 -1.666 -4.359 6.249 1.00 0.00 C ATOM 256 O ARG A 18 -2.277 -5.354 5.847 1.00 0.00 O ATOM 257 CB ARG A 18 -2.494 -3.760 8.579 1.00 0.00 C ATOM 258 CG ARG A 18 -3.593 -3.022 9.359 1.00 0.00 C ATOM 259 CD ARG A 18 -3.445 -3.225 10.867 1.00 0.00 C ATOM 260 NE ARG A 18 -2.583 -2.189 11.445 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.268 -1.980 12.721 1.00 0.00 C ATOM 262 NH1 ARG A 18 -2.647 -2.823 13.681 1.00 0.00 N ATOM 263 NH2 ARG A 18 -1.562 -0.900 13.011 1.00 0.00 N ATOM 0 H ARG A 18 -4.507 -3.601 6.943 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.878 -2.401 7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.674 -4.833 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.532 -3.570 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.551 -1.957 9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.571 -3.380 9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.426 -3.196 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.023 -4.210 11.067 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.168 -1.539 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.192 -3.652 13.445 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.392 -2.639 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.278 -0.261 12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.301 -0.706 13.978 1.00 0.00 H new ATOM 274 N VAL A 19 -0.403 -4.106 5.922 1.00 0.00 N ATOM 275 CA VAL A 19 0.433 -5.056 5.204 1.00 0.00 C ATOM 276 C VAL A 19 1.448 -5.597 6.200 1.00 0.00 C ATOM 277 O VAL A 19 1.914 -4.864 7.075 1.00 0.00 O ATOM 278 CB VAL A 19 1.047 -4.332 3.990 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.326 -4.975 3.432 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.007 -4.319 2.861 1.00 0.00 C ATOM 0 H VAL A 19 0.070 -3.231 6.150 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.113 -5.910 4.803 1.00 0.00 H new ATOM 0 HB VAL A 19 1.322 -3.338 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.683 -4.395 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.093 -4.992 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.111 -5.995 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.421 -3.810 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.252 -5.343 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.887 -3.794 3.196 1.00 0.00 H new ATOM 290 N GLN A 20 1.804 -6.869 6.047 1.00 0.00 N ATOM 291 CA GLN A 20 2.837 -7.547 6.798 1.00 0.00 C ATOM 292 C GLN A 20 3.841 -8.093 5.792 1.00 0.00 C ATOM 293 O GLN A 20 3.460 -8.576 4.725 1.00 0.00 O ATOM 294 CB GLN A 20 2.239 -8.644 7.695 1.00 0.00 C ATOM 295 CG GLN A 20 1.204 -8.061 8.684 1.00 0.00 C ATOM 296 CD GLN A 20 1.108 -8.856 9.989 1.00 0.00 C ATOM 297 OE1 GLN A 20 1.658 -8.461 11.019 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.435 -9.994 9.968 1.00 0.00 N ATOM 0 H GLN A 20 1.355 -7.477 5.362 1.00 0.00 H new ATOM 0 HA GLN A 20 3.342 -6.861 7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.764 -9.404 7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.037 -9.138 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.470 -7.029 8.913 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.225 -8.039 8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.014 -10.305 9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.365 -10.561 10.813 1.00 0.00 H new ATOM 305 N GLY A 21 5.121 -8.018 6.145 1.00 0.00 N ATOM 306 CA GLY A 21 6.205 -8.590 5.377 1.00 0.00 C ATOM 307 C GLY A 21 6.830 -7.577 4.439 1.00 0.00 C ATOM 308 O GLY A 21 6.205 -6.654 3.926 1.00 0.00 O ATOM 0 H GLY A 21 5.433 -7.546 6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.967 -8.975 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.834 -9.437 4.801 1.00 0.00 H new ATOM 312 N ASP A 22 8.126 -7.757 4.265 1.00 0.00 N ATOM 313 CA ASP A 22 9.033 -6.894 3.549 1.00 0.00 C ATOM 314 C ASP A 22 8.824 -7.161 2.070 1.00 0.00 C ATOM 315 O ASP A 22 8.546 -8.299 1.683 1.00 0.00 O ATOM 316 CB ASP A 22 10.471 -7.197 3.983 1.00 0.00 C ATOM 317 CG ASP A 22 10.563 -7.627 5.444 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.439 -8.851 5.705 1.00 0.00 O ATOM 319 OD2 ASP A 22 10.632 -6.753 6.333 1.00 0.00 O ATOM 0 H ASP A 22 8.602 -8.572 4.651 1.00 0.00 H new ATOM 0 HA ASP A 22 8.847 -5.841 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.880 -7.984 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.088 -6.312 3.829 1.00 0.00 H new ATOM 323 N ILE A 23 8.921 -6.126 1.249 1.00 0.00 N ATOM 324 CA ILE A 23 8.227 -6.102 -0.028 1.00 0.00 C ATOM 325 C ILE A 23 9.196 -6.215 -1.208 1.00 0.00 C ATOM 326 O ILE A 23 10.165 -5.465 -1.328 1.00 0.00 O ATOM 327 CB ILE A 23 7.264 -4.902 -0.059 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.445 -4.941 -1.351 1.00 0.00 C ATOM 329 CG2 ILE A 23 7.957 -3.536 0.032 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.001 -4.511 -1.110 1.00 0.00 C ATOM 0 H ILE A 23 9.474 -5.292 1.445 1.00 0.00 H new ATOM 0 HA ILE A 23 7.604 -6.989 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 23 6.636 -5.000 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.902 -4.286 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.461 -5.950 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.207 -2.745 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.516 -3.473 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.641 -3.418 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.448 -4.550 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.537 -5.182 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.985 -3.493 -0.722 1.00 0.00 H new ATOM 341 N ASP A 24 8.940 -7.204 -2.059 1.00 0.00 N ATOM 342 CA ASP A 24 9.876 -7.729 -3.034 1.00 0.00 C ATOM 343 C ASP A 24 9.131 -8.504 -4.126 1.00 0.00 C ATOM 344 O ASP A 24 7.898 -8.475 -4.183 1.00 0.00 O ATOM 345 CB ASP A 24 10.854 -8.667 -2.325 1.00 0.00 C ATOM 346 CG ASP A 24 10.226 -9.854 -1.587 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.061 -10.212 -1.870 1.00 0.00 O ATOM 348 OD2 ASP A 24 10.928 -10.394 -0.698 1.00 0.00 O ATOM 0 H ASP A 24 8.037 -7.677 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 24 10.414 -6.902 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.557 -9.053 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.433 -8.084 -1.609 1.00 0.00 H new ATOM 352 N ALA A 25 9.866 -9.201 -4.993 1.00 0.00 N ATOM 353 CA ALA A 25 9.377 -10.046 -6.068 1.00 0.00 C ATOM 354 C ALA A 25 8.479 -11.208 -5.617 1.00 0.00 C ATOM 355 O ALA A 25 7.711 -11.693 -6.448 1.00 0.00 O ATOM 356 CB ALA A 25 10.578 -10.608 -6.826 1.00 0.00 C ATOM 0 H ALA A 25 10.885 -9.185 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 25 8.749 -9.413 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.230 -11.246 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.166 -9.787 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.197 -11.193 -6.145 1.00 0.00 H new ATOM 362 N TYR A 26 8.536 -11.668 -4.360 1.00 0.00 N ATOM 363 CA TYR A 26 7.589 -12.673 -3.860 1.00 0.00 C ATOM 364 C TYR A 26 6.242 -12.020 -3.526 1.00 0.00 C ATOM 365 O TYR A 26 5.243 -12.723 -3.367 1.00 0.00 O ATOM 366 CB TYR A 26 8.096 -13.347 -2.574 1.00 0.00 C ATOM 367 CG TYR A 26 9.174 -14.414 -2.641 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.352 -14.245 -3.394 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.041 -15.548 -1.814 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.398 -15.181 -3.289 1.00 0.00 C ATOM 371 CE2 TYR A 26 10.106 -16.444 -1.650 1.00 0.00 C ATOM 372 CZ TYR A 26 11.298 -16.255 -2.378 1.00 0.00 C ATOM 373 OH TYR A 26 12.330 -17.121 -2.205 1.00 0.00 O ATOM 0 H TYR A 26 9.225 -11.362 -3.673 1.00 0.00 H new ATOM 0 HA TYR A 26 7.482 -13.417 -4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.464 -12.557 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.232 -13.792 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.453 -13.396 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.108 -15.728 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.278 -15.077 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.014 -17.276 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 26 12.083 -17.795 -1.538 1.00 0.00 H new ATOM 382 N ASN A 27 6.200 -10.693 -3.372 1.00 0.00 N ATOM 383 CA ASN A 27 5.004 -9.931 -3.034 1.00 0.00 C ATOM 384 C ASN A 27 4.538 -9.100 -4.232 1.00 0.00 C ATOM 385 O ASN A 27 3.448 -8.537 -4.222 1.00 0.00 O ATOM 386 CB ASN A 27 5.307 -9.012 -1.844 1.00 0.00 C ATOM 387 CG ASN A 27 4.078 -8.665 -1.012 1.00 0.00 C ATOM 388 OD1 ASN A 27 3.006 -9.216 -1.190 1.00 0.00 O ATOM 389 ND2 ASN A 27 4.195 -7.764 -0.052 1.00 0.00 N ATOM 0 H ASN A 27 7.026 -10.105 -3.484 1.00 0.00 H new ATOM 0 HA ASN A 27 4.206 -10.624 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.045 -9.493 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.758 -8.091 -2.213 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.391 -7.535 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.089 -7.298 0.104 1.00 0.00 H new ATOM 395 N SER A 28 5.371 -8.994 -5.271 1.00 0.00 N ATOM 396 CA SER A 28 5.118 -8.252 -6.493 1.00 0.00 C ATOM 397 C SER A 28 3.983 -8.855 -7.338 1.00 0.00 C ATOM 398 O SER A 28 3.533 -8.210 -8.291 1.00 0.00 O ATOM 399 CB SER A 28 6.448 -8.058 -7.238 1.00 0.00 C ATOM 400 OG SER A 28 6.383 -7.100 -8.285 1.00 0.00 O ATOM 0 H SER A 28 6.284 -9.449 -5.275 1.00 0.00 H new ATOM 0 HA SER A 28 4.733 -7.262 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.212 -7.751 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.765 -9.015 -7.653 1.00 0.00 H new ATOM 0 HG SER A 28 5.932 -6.292 -7.962 1.00 0.00 H new ATOM 405 N SER A 29 3.455 -10.020 -6.950 1.00 0.00 N ATOM 406 CA SER A 29 2.177 -10.515 -7.421 1.00 0.00 C ATOM 407 C SER A 29 1.214 -10.716 -6.255 1.00 0.00 C ATOM 408 O SER A 29 0.020 -10.514 -6.440 1.00 0.00 O ATOM 409 CB SER A 29 2.380 -11.778 -8.252 1.00 0.00 C ATOM 410 OG SER A 29 2.933 -12.818 -7.475 1.00 0.00 O ATOM 0 H SER A 29 3.917 -10.647 -6.291 1.00 0.00 H new ATOM 0 HA SER A 29 1.717 -9.774 -8.074 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.425 -12.100 -8.668 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.037 -11.561 -9.094 1.00 0.00 H new ATOM 0 HG SER A 29 3.051 -13.616 -8.032 1.00 0.00 H new ATOM 415 N GLU A 30 1.707 -11.053 -5.058 1.00 0.00 N ATOM 416 CA GLU A 30 0.866 -11.348 -3.907 1.00 0.00 C ATOM 417 C GLU A 30 0.079 -10.108 -3.491 1.00 0.00 C ATOM 418 O GLU A 30 -1.124 -10.062 -3.728 1.00 0.00 O ATOM 419 CB GLU A 30 1.692 -11.916 -2.743 1.00 0.00 C ATOM 420 CG GLU A 30 0.924 -13.039 -2.044 1.00 0.00 C ATOM 421 CD GLU A 30 0.789 -14.313 -2.879 1.00 0.00 C ATOM 422 OE1 GLU A 30 1.689 -14.607 -3.696 1.00 0.00 O ATOM 423 OE2 GLU A 30 -0.112 -15.132 -2.577 1.00 0.00 O ATOM 0 H GLU A 30 2.706 -11.127 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 30 0.150 -12.118 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.644 -12.294 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.920 -11.124 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.427 -13.282 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.072 -12.679 -1.786 1.00 0.00 H new ATOM 428 N LEU A 31 0.728 -9.072 -2.938 1.00 0.00 N ATOM 429 CA LEU A 31 0.092 -7.808 -2.611 1.00 0.00 C ATOM 430 C LEU A 31 -0.698 -7.280 -3.796 1.00 0.00 C ATOM 431 O LEU A 31 -1.804 -6.780 -3.613 1.00 0.00 O ATOM 432 CB LEU A 31 1.147 -6.773 -2.185 1.00 0.00 C ATOM 433 CG LEU A 31 0.530 -5.404 -1.861 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.432 -5.534 -0.684 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.620 -4.393 -1.520 1.00 0.00 C ATOM 0 H LEU A 31 1.721 -9.099 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.595 -7.979 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.682 -7.143 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.881 -6.658 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.013 -5.053 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.866 -4.560 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.227 -6.235 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.108 -5.900 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.164 -3.429 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.181 -4.742 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.294 -4.285 -2.369 1.00 0.00 H new ATOM 446 N LYS A 32 -0.136 -7.392 -5.000 1.00 0.00 N ATOM 447 CA LYS A 32 -0.785 -6.943 -6.219 1.00 0.00 C ATOM 448 C LYS A 32 -2.184 -7.541 -6.319 1.00 0.00 C ATOM 449 O LYS A 32 -3.160 -6.797 -6.401 1.00 0.00 O ATOM 450 CB LYS A 32 0.106 -7.318 -7.425 1.00 0.00 C ATOM 451 CG LYS A 32 -0.293 -6.515 -8.670 1.00 0.00 C ATOM 452 CD LYS A 32 0.570 -6.826 -9.898 1.00 0.00 C ATOM 453 CE LYS A 32 0.350 -8.242 -10.457 1.00 0.00 C ATOM 454 NZ LYS A 32 1.098 -8.451 -11.716 1.00 0.00 N ATOM 0 H LYS A 32 0.787 -7.800 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.906 -5.860 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.152 -7.127 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.016 -8.385 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.337 -6.721 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.222 -5.451 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.353 -6.097 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.621 -6.707 -9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.666 -8.979 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.713 -8.403 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.927 -9.416 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.779 -7.763 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.115 -8.321 -11.541 1.00 0.00 H new ATOM 464 N GLU A 33 -2.282 -8.864 -6.289 1.00 0.00 N ATOM 465 CA GLU A 33 -3.527 -9.603 -6.386 1.00 0.00 C ATOM 466 C GLU A 33 -4.410 -9.291 -5.184 1.00 0.00 C ATOM 467 O GLU A 33 -5.572 -8.921 -5.349 1.00 0.00 O ATOM 468 CB GLU A 33 -3.232 -11.097 -6.487 1.00 0.00 C ATOM 469 CG GLU A 33 -3.029 -11.527 -7.944 1.00 0.00 C ATOM 470 CD GLU A 33 -2.723 -13.022 -8.029 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.519 -13.817 -7.472 1.00 0.00 O ATOM 472 OE2 GLU A 33 -1.670 -13.408 -8.601 1.00 0.00 O ATOM 0 H GLU A 33 -1.467 -9.470 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.064 -9.301 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.339 -11.334 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.055 -11.663 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.924 -11.301 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.211 -10.958 -8.386 1.00 0.00 H new ATOM 477 N GLN A 34 -3.852 -9.373 -3.977 1.00 0.00 N ATOM 478 CA GLN A 34 -4.542 -9.197 -2.712 1.00 0.00 C ATOM 479 C GLN A 34 -5.066 -7.770 -2.527 1.00 0.00 C ATOM 480 O GLN A 34 -5.806 -7.516 -1.578 1.00 0.00 O ATOM 481 CB GLN A 34 -3.561 -9.561 -1.589 1.00 0.00 C ATOM 482 CG GLN A 34 -3.083 -11.031 -1.628 1.00 0.00 C ATOM 483 CD GLN A 34 -3.890 -12.002 -0.768 1.00 0.00 C ATOM 484 OE1 GLN A 34 -3.325 -12.814 -0.042 1.00 0.00 O ATOM 485 NE2 GLN A 34 -5.211 -11.952 -0.801 1.00 0.00 N ATOM 0 H GLN A 34 -2.859 -9.574 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.417 -9.847 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.693 -8.905 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.037 -9.369 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.110 -11.377 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.042 -11.066 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.681 -11.277 -1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.760 -12.588 -0.223 1.00 0.00 H new ATOM 492 N LEU A 35 -4.718 -6.849 -3.425 1.00 0.00 N ATOM 493 CA LEU A 35 -5.298 -5.524 -3.525 1.00 0.00 C ATOM 494 C LEU A 35 -6.238 -5.476 -4.706 1.00 0.00 C ATOM 495 O LEU A 35 -7.351 -5.050 -4.493 1.00 0.00 O ATOM 496 CB LEU A 35 -4.238 -4.464 -3.759 1.00 0.00 C ATOM 497 CG LEU A 35 -3.355 -4.134 -2.551 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.187 -3.223 -2.933 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.149 -3.464 -1.420 1.00 0.00 C ATOM 0 H LEU A 35 -3.997 -7.019 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.814 -5.325 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.596 -4.791 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.731 -3.549 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.969 -5.090 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.585 -3.013 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.570 -3.718 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.573 -2.288 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.482 -3.249 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.587 -2.534 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.943 -4.133 -1.087 1.00 0.00 H new ATOM 510 N ARG A 36 -5.877 -5.840 -5.943 1.00 0.00 N ATOM 511 CA ARG A 36 -6.809 -5.642 -7.060 1.00 0.00 C ATOM 512 C ARG A 36 -8.083 -6.459 -6.867 1.00 0.00 C ATOM 513 O ARG A 36 -9.174 -5.995 -7.206 1.00 0.00 O ATOM 514 CB ARG A 36 -6.144 -5.908 -8.418 1.00 0.00 C ATOM 515 CG ARG A 36 -5.639 -7.344 -8.628 1.00 0.00 C ATOM 516 CD ARG A 36 -5.068 -7.605 -10.028 1.00 0.00 C ATOM 517 NE ARG A 36 -6.098 -7.450 -11.069 1.00 0.00 N ATOM 518 CZ ARG A 36 -6.311 -6.354 -11.811 1.00 0.00 C ATOM 519 NH1 ARG A 36 -5.463 -5.338 -11.761 1.00 0.00 N ATOM 520 NH2 ARG A 36 -7.384 -6.238 -12.584 1.00 0.00 N ATOM 0 H ARG A 36 -4.980 -6.258 -6.191 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.099 -4.591 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.858 -5.672 -9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.304 -5.224 -8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.870 -7.560 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.460 -8.037 -8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.247 -6.915 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.654 -8.613 -10.071 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.706 -8.251 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.643 -5.387 -11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.630 -4.506 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.069 -6.993 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.524 -5.394 -13.139 1.00 0.00 H new ATOM 531 N ASN A 37 -7.948 -7.648 -6.277 1.00 0.00 N ATOM 532 CA ASN A 37 -9.040 -8.564 -5.990 1.00 0.00 C ATOM 533 C ASN A 37 -9.800 -8.131 -4.735 1.00 0.00 C ATOM 534 O ASN A 37 -10.941 -8.531 -4.529 1.00 0.00 O ATOM 535 CB ASN A 37 -8.459 -9.979 -5.803 1.00 0.00 C ATOM 536 CG ASN A 37 -9.529 -11.062 -5.868 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.089 -11.309 -6.932 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.812 -11.774 -4.795 1.00 0.00 N ATOM 0 H ASN A 37 -7.041 -8.007 -5.978 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.745 -8.558 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.710 -10.166 -6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.948 -10.035 -4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.496 -12.529 -4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.347 -11.570 -3.910 1.00 0.00 H new ATOM 544 N PHE A 38 -9.178 -7.306 -3.892 1.00 0.00 N ATOM 545 CA PHE A 38 -9.774 -6.689 -2.729 1.00 0.00 C ATOM 546 C PHE A 38 -10.481 -5.432 -3.147 1.00 0.00 C ATOM 547 O PHE A 38 -11.684 -5.429 -3.012 1.00 0.00 O ATOM 548 CB PHE A 38 -8.745 -6.429 -1.645 1.00 0.00 C ATOM 549 CG PHE A 38 -9.149 -5.489 -0.528 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.061 -5.920 0.452 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.627 -4.180 -0.476 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.449 -5.046 1.480 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.029 -3.307 0.549 1.00 0.00 C ATOM 554 CZ PHE A 38 -9.922 -3.749 1.541 1.00 0.00 C ATOM 0 H PHE A 38 -8.200 -7.044 -4.016 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.503 -7.373 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.471 -7.386 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.848 -6.029 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.462 -6.922 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.920 -3.849 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.157 -5.375 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.652 -2.295 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.202 -3.089 2.349 1.00 0.00 H new ATOM 563 N ILE A 39 -9.789 -4.420 -3.689 1.00 0.00 N ATOM 564 CA ILE A 39 -10.365 -3.162 -4.174 1.00 0.00 C ATOM 565 C ILE A 39 -11.649 -3.369 -4.984 1.00 0.00 C ATOM 566 O ILE A 39 -12.559 -2.548 -4.863 1.00 0.00 O ATOM 567 CB ILE A 39 -9.272 -2.428 -4.990 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.441 -1.569 -4.019 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.752 -1.583 -6.185 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.043 -1.260 -4.555 1.00 0.00 C ATOM 0 H ILE A 39 -8.776 -4.458 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.671 -2.553 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.680 -3.212 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.967 -0.634 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.353 -2.088 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.893 -1.122 -6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.273 -2.223 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.430 -0.806 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.502 -0.652 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.503 -2.192 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.126 -0.715 -5.495 1.00 0.00 H new ATOM 581 N SER A 40 -11.729 -4.437 -5.788 1.00 0.00 N ATOM 582 CA SER A 40 -12.926 -4.778 -6.542 1.00 0.00 C ATOM 583 C SER A 40 -14.146 -4.953 -5.621 1.00 0.00 C ATOM 584 O SER A 40 -15.255 -4.586 -5.999 1.00 0.00 O ATOM 585 CB SER A 40 -12.630 -6.044 -7.363 1.00 0.00 C ATOM 586 OG SER A 40 -13.639 -6.306 -8.321 1.00 0.00 O ATOM 0 H SER A 40 -10.957 -5.088 -5.929 1.00 0.00 H new ATOM 0 HA SER A 40 -13.184 -3.963 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.671 -5.931 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.538 -6.898 -6.691 1.00 0.00 H new ATOM 0 HG SER A 40 -13.412 -7.117 -8.822 1.00 0.00 H new ATOM 591 N THR A 41 -13.952 -5.424 -4.391 1.00 0.00 N ATOM 592 CA THR A 41 -14.976 -5.766 -3.431 1.00 0.00 C ATOM 593 C THR A 41 -15.161 -4.578 -2.498 1.00 0.00 C ATOM 594 O THR A 41 -16.288 -4.231 -2.135 1.00 0.00 O ATOM 595 CB THR A 41 -14.514 -7.043 -2.699 1.00 0.00 C ATOM 596 OG1 THR A 41 -15.012 -8.167 -3.391 1.00 0.00 O ATOM 597 CG2 THR A 41 -15.003 -7.160 -1.246 1.00 0.00 C ATOM 0 H THR A 41 -13.014 -5.584 -4.024 1.00 0.00 H new ATOM 0 HA THR A 41 -15.942 -5.973 -3.892 1.00 0.00 H new ATOM 0 HB THR A 41 -13.425 -6.992 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.723 -8.986 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.631 -8.087 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.633 -6.313 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.093 -7.163 -1.228 1.00 0.00 H new ATOM 605 N THR A 42 -14.044 -3.989 -2.082 1.00 0.00 N ATOM 606 CA THR A 42 -13.916 -3.087 -0.971 1.00 0.00 C ATOM 607 C THR A 42 -14.999 -2.007 -0.894 1.00 0.00 C ATOM 608 O THR A 42 -15.061 -1.078 -1.699 1.00 0.00 O ATOM 609 CB THR A 42 -12.494 -2.556 -1.054 1.00 0.00 C ATOM 610 OG1 THR A 42 -11.617 -3.643 -1.048 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.113 -1.731 0.120 1.00 0.00 C ATOM 0 H THR A 42 -13.152 -4.148 -2.551 1.00 0.00 H new ATOM 0 HA THR A 42 -14.085 -3.605 -0.027 1.00 0.00 H new ATOM 0 HB THR A 42 -12.440 -1.948 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.002 -3.563 -0.289 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.087 -1.381 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.782 -0.874 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.189 -2.331 1.027 1.00 0.00 H new ATOM 619 N SER A 43 -15.835 -2.098 0.133 1.00 0.00 N ATOM 620 CA SER A 43 -16.929 -1.184 0.429 1.00 0.00 C ATOM 621 C SER A 43 -16.473 0.213 0.868 1.00 0.00 C ATOM 622 O SER A 43 -17.295 1.111 1.052 1.00 0.00 O ATOM 623 CB SER A 43 -17.713 -1.854 1.551 1.00 0.00 C ATOM 624 OG SER A 43 -18.739 -2.641 0.988 1.00 0.00 O ATOM 0 H SER A 43 -15.763 -2.851 0.817 1.00 0.00 H new ATOM 0 HA SER A 43 -17.517 -1.012 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.051 -2.475 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.137 -1.101 2.215 1.00 0.00 H new ATOM 0 HG SER A 43 -19.247 -3.077 1.704 1.00 0.00 H new ATOM 629 N LYS A 44 -15.174 0.407 1.077 1.00 0.00 N ATOM 630 CA LYS A 44 -14.604 1.561 1.747 1.00 0.00 C ATOM 631 C LYS A 44 -13.654 2.221 0.768 1.00 0.00 C ATOM 632 O LYS A 44 -12.628 1.631 0.444 1.00 0.00 O ATOM 633 CB LYS A 44 -13.883 1.081 3.014 1.00 0.00 C ATOM 634 CG LYS A 44 -14.706 0.212 3.973 1.00 0.00 C ATOM 635 CD LYS A 44 -15.979 0.898 4.462 1.00 0.00 C ATOM 636 CE LYS A 44 -16.811 -0.083 5.285 1.00 0.00 C ATOM 637 NZ LYS A 44 -18.066 0.553 5.707 1.00 0.00 N ATOM 0 H LYS A 44 -14.468 -0.262 0.771 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.361 2.284 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.000 0.517 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.532 1.956 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.972 -0.719 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.090 -0.053 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.725 1.769 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.559 1.257 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.026 -0.974 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.246 -0.407 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.496 -0.002 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.870 1.517 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.722 0.595 4.901 1.00 0.00 H new ATOM 647 N LYS A 45 -13.997 3.393 0.224 1.00 0.00 N ATOM 648 CA LYS A 45 -13.188 3.962 -0.853 1.00 0.00 C ATOM 649 C LYS A 45 -11.773 4.258 -0.375 1.00 0.00 C ATOM 650 O LYS A 45 -10.851 4.097 -1.164 1.00 0.00 O ATOM 651 CB LYS A 45 -13.836 5.207 -1.479 1.00 0.00 C ATOM 652 CG LYS A 45 -15.197 4.891 -2.123 1.00 0.00 C ATOM 653 CD LYS A 45 -15.872 6.143 -2.711 1.00 0.00 C ATOM 654 CE LYS A 45 -15.635 6.287 -4.219 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.059 7.608 -4.730 1.00 0.00 N ATOM 0 H LYS A 45 -14.805 3.950 0.502 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.132 3.209 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.967 5.971 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.167 5.623 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.060 4.151 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.854 4.444 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.944 6.098 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.493 7.029 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.577 6.139 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.180 5.504 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.879 7.658 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.075 7.740 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.521 8.356 -4.247 1.00 0.00 H new ATOM 665 N LYS A 46 -11.560 4.703 0.868 1.00 0.00 N ATOM 666 CA LYS A 46 -10.232 5.145 1.288 1.00 0.00 C ATOM 667 C LYS A 46 -9.301 3.981 1.574 1.00 0.00 C ATOM 668 O LYS A 46 -9.291 3.518 2.707 1.00 0.00 O ATOM 669 CB LYS A 46 -10.347 6.169 2.430 1.00 0.00 C ATOM 670 CG LYS A 46 -9.066 6.979 2.672 1.00 0.00 C ATOM 671 CD LYS A 46 -9.367 8.422 3.102 1.00 0.00 C ATOM 672 CE LYS A 46 -10.295 8.541 4.322 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.409 9.948 4.741 1.00 0.00 N ATOM 0 H LYS A 46 -12.279 4.765 1.588 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.755 5.666 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.163 6.857 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.613 5.646 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.468 6.489 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.467 6.990 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.426 8.925 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.820 8.951 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.281 8.146 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.906 7.940 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.787 9.992 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.470 10.395 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.050 10.452 4.095 1.00 0.00 H new ATOM 683 N ILE A 47 -8.539 3.498 0.590 1.00 0.00 N ATOM 684 CA ILE A 47 -7.627 2.380 0.799 1.00 0.00 C ATOM 685 C ILE A 47 -6.389 2.956 1.473 1.00 0.00 C ATOM 686 O ILE A 47 -5.511 3.524 0.818 1.00 0.00 O ATOM 687 CB ILE A 47 -7.290 1.648 -0.519 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.481 1.418 -1.476 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.607 0.309 -0.185 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.667 0.678 -0.872 1.00 0.00 C ATOM 0 H ILE A 47 -8.538 3.868 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.087 1.618 1.428 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.624 2.313 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.825 2.386 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.127 0.858 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.365 -0.216 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.692 0.497 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.281 -0.303 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.448 0.568 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.347 -0.308 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.056 1.243 -0.025 1.00 0.00 H new ATOM 701 N VAL A 48 -6.349 2.877 2.789 1.00 0.00 N ATOM 702 CA VAL A 48 -5.167 3.173 3.561 1.00 0.00 C ATOM 703 C VAL A 48 -4.288 1.937 3.502 1.00 0.00 C ATOM 704 O VAL A 48 -4.780 0.807 3.481 1.00 0.00 O ATOM 705 CB VAL A 48 -5.551 3.555 5.007 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.493 4.510 5.556 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.921 4.248 5.147 1.00 0.00 C ATOM 0 H VAL A 48 -7.151 2.601 3.356 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.625 4.029 3.159 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.611 2.617 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.750 4.789 6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.520 4.019 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.453 5.405 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.106 4.479 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.923 5.170 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.704 3.585 4.778 1.00 0.00 H new ATOM 717 N LEU A 49 -2.981 2.156 3.471 1.00 0.00 N ATOM 718 CA LEU A 49 -1.972 1.129 3.644 1.00 0.00 C ATOM 719 C LEU A 49 -1.216 1.413 4.941 1.00 0.00 C ATOM 720 O LEU A 49 -1.110 2.564 5.348 1.00 0.00 O ATOM 721 CB LEU A 49 -1.048 1.106 2.422 1.00 0.00 C ATOM 722 CG LEU A 49 -1.320 0.044 1.344 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.178 -1.378 1.889 1.00 0.00 C ATOM 724 CD2 LEU A 49 -2.677 0.226 0.661 1.00 0.00 C ATOM 0 H LEU A 49 -2.585 3.084 3.320 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.424 0.140 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.094 2.086 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.026 0.971 2.776 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.553 0.193 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.379 -2.095 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.164 -1.525 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.889 -1.529 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.814 -0.552 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.471 0.156 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.715 1.204 0.181 1.00 0.00 H new ATOM 735 N ASP A 50 -0.697 0.371 5.585 1.00 0.00 N ATOM 736 CA ASP A 50 0.090 0.417 6.831 1.00 0.00 C ATOM 737 C ASP A 50 1.367 -0.392 6.626 1.00 0.00 C ATOM 738 O ASP A 50 1.261 -1.566 6.259 1.00 0.00 O ATOM 739 CB ASP A 50 -0.709 -0.225 7.973 1.00 0.00 C ATOM 740 CG ASP A 50 -0.432 0.319 9.376 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.179 1.390 9.555 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.866 -0.360 10.332 1.00 0.00 O ATOM 0 H ASP A 50 -0.816 -0.582 5.240 1.00 0.00 H new ATOM 0 HA ASP A 50 0.320 1.453 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.771 -0.102 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.506 -1.296 7.974 1.00 0.00 H new ATOM 746 N LEU A 51 2.548 0.221 6.778 1.00 0.00 N ATOM 747 CA LEU A 51 3.842 -0.325 6.399 1.00 0.00 C ATOM 748 C LEU A 51 4.774 -0.517 7.604 1.00 0.00 C ATOM 749 O LEU A 51 5.979 -0.704 7.440 1.00 0.00 O ATOM 750 CB LEU A 51 4.460 0.544 5.291 1.00 0.00 C ATOM 751 CG LEU A 51 3.680 0.640 3.960 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.159 -0.701 3.421 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.534 1.653 3.948 1.00 0.00 C ATOM 0 H LEU A 51 2.622 1.152 7.187 1.00 0.00 H new ATOM 0 HA LEU A 51 3.695 -1.328 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.588 1.553 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.456 0.158 5.073 1.00 0.00 H new ATOM 0 HG LEU A 51 4.459 1.004 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.625 -0.534 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.999 -1.373 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.483 -1.148 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.051 1.644 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.806 1.388 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.927 2.650 4.149 1.00 0.00 H new ATOM 764 N SER A 52 4.215 -0.534 8.816 1.00 0.00 N ATOM 765 CA SER A 52 4.891 -0.806 10.080 1.00 0.00 C ATOM 766 C SER A 52 5.771 -2.073 10.001 1.00 0.00 C ATOM 767 O SER A 52 6.832 -2.135 10.633 1.00 0.00 O ATOM 768 CB SER A 52 3.802 -0.943 11.166 1.00 0.00 C ATOM 769 OG SER A 52 4.203 -0.502 12.458 1.00 0.00 O ATOM 0 H SER A 52 3.221 -0.347 8.946 1.00 0.00 H new ATOM 0 HA SER A 52 5.569 0.012 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.925 -0.375 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.499 -1.988 11.230 1.00 0.00 H new ATOM 0 HG SER A 52 3.462 -0.619 13.088 1.00 0.00 H new ATOM 774 N SER A 53 5.358 -3.088 9.242 1.00 0.00 N ATOM 775 CA SER A 53 6.004 -4.380 9.107 1.00 0.00 C ATOM 776 C SER A 53 7.006 -4.458 7.950 1.00 0.00 C ATOM 777 O SER A 53 7.607 -5.519 7.765 1.00 0.00 O ATOM 778 CB SER A 53 4.887 -5.393 8.855 1.00 0.00 C ATOM 779 OG SER A 53 4.217 -5.754 10.040 1.00 0.00 O ATOM 0 H SER A 53 4.513 -3.019 8.674 1.00 0.00 H new ATOM 0 HA SER A 53 6.577 -4.574 10.014 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.171 -4.973 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.307 -6.286 8.391 1.00 0.00 H new ATOM 0 HG SER A 53 3.511 -6.401 9.832 1.00 0.00 H new ATOM 784 N VAL A 54 7.179 -3.409 7.146 1.00 0.00 N ATOM 785 CA VAL A 54 7.852 -3.518 5.856 1.00 0.00 C ATOM 786 C VAL A 54 9.277 -2.977 6.023 1.00 0.00 C ATOM 787 O VAL A 54 9.531 -1.797 5.792 1.00 0.00 O ATOM 788 CB VAL A 54 6.982 -2.827 4.777 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.551 -3.039 3.368 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.559 -3.422 4.784 1.00 0.00 C ATOM 0 H VAL A 54 6.858 -2.467 7.370 1.00 0.00 H new ATOM 0 HA VAL A 54 7.962 -4.545 5.508 1.00 0.00 H new ATOM 0 HB VAL A 54 6.971 -1.763 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.913 -2.539 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.557 -2.623 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.588 -4.106 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.955 -2.930 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.610 -4.490 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.105 -3.267 5.763 1.00 0.00 H new ATOM 800 N SER A 55 10.216 -3.816 6.485 1.00 0.00 N ATOM 801 CA SER A 55 11.567 -3.372 6.808 1.00 0.00 C ATOM 802 C SER A 55 12.425 -3.173 5.560 1.00 0.00 C ATOM 803 O SER A 55 13.443 -2.492 5.659 1.00 0.00 O ATOM 804 CB SER A 55 12.260 -4.384 7.731 1.00 0.00 C ATOM 805 OG SER A 55 12.362 -3.905 9.061 1.00 0.00 O ATOM 0 H SER A 55 10.056 -4.811 6.642 1.00 0.00 H new ATOM 0 HA SER A 55 11.467 -2.411 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.703 -5.321 7.725 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.256 -4.602 7.347 1.00 0.00 H new ATOM 0 HG SER A 55 12.807 -4.578 9.618 1.00 0.00 H new ATOM 810 N TYR A 56 12.056 -3.748 4.417 1.00 0.00 N ATOM 811 CA TYR A 56 12.796 -3.675 3.171 1.00 0.00 C ATOM 812 C TYR A 56 11.784 -3.467 2.049 1.00 0.00 C ATOM 813 O TYR A 56 10.639 -3.913 2.171 1.00 0.00 O ATOM 814 CB TYR A 56 13.591 -4.977 2.992 1.00 0.00 C ATOM 815 CG TYR A 56 14.159 -5.142 1.598 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.363 -4.506 1.258 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.448 -5.871 0.621 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.874 -4.606 -0.044 1.00 0.00 C ATOM 819 CE2 TYR A 56 13.950 -5.964 -0.687 1.00 0.00 C ATOM 820 CZ TYR A 56 15.171 -5.340 -1.026 1.00 0.00 C ATOM 821 OH TYR A 56 15.683 -5.484 -2.276 1.00 0.00 O ATOM 0 H TYR A 56 11.200 -4.297 4.336 1.00 0.00 H new ATOM 0 HA TYR A 56 13.507 -2.849 3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.407 -4.999 3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.943 -5.824 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.899 -3.937 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.519 -6.357 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.806 -4.122 -0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.401 -6.515 -1.436 1.00 0.00 H new ATOM 0 HH TYR A 56 15.111 -6.085 -2.797 1.00 0.00 H new ATOM 830 N MET A 57 12.220 -2.823 0.966 1.00 0.00 N ATOM 831 CA MET A 57 11.456 -2.592 -0.247 1.00 0.00 C ATOM 832 C MET A 57 12.438 -2.604 -1.405 1.00 0.00 C ATOM 833 O MET A 57 13.408 -1.838 -1.390 1.00 0.00 O ATOM 834 CB MET A 57 10.739 -1.239 -0.160 1.00 0.00 C ATOM 835 CG MET A 57 9.834 -0.919 -1.346 1.00 0.00 C ATOM 836 SD MET A 57 9.420 0.832 -1.523 1.00 0.00 S ATOM 837 CE MET A 57 7.783 0.571 -2.228 1.00 0.00 C ATOM 0 H MET A 57 13.161 -2.432 0.915 1.00 0.00 H new ATOM 0 HA MET A 57 10.697 -3.362 -0.386 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.142 -1.218 0.751 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.487 -0.452 -0.069 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.321 -1.258 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.910 -1.489 -1.246 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.580 1.341 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.743 -0.410 -2.701 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.034 0.624 -1.438 1.00 0.00 H new ATOM 845 N ASP A 58 12.193 -3.463 -2.385 1.00 0.00 N ATOM 846 CA ASP A 58 12.935 -3.459 -3.646 1.00 0.00 C ATOM 847 C ASP A 58 12.229 -2.532 -4.639 1.00 0.00 C ATOM 848 O ASP A 58 11.064 -2.171 -4.451 1.00 0.00 O ATOM 849 CB ASP A 58 13.012 -4.882 -4.227 1.00 0.00 C ATOM 850 CG ASP A 58 14.190 -5.113 -5.185 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.793 -4.157 -5.712 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.523 -6.300 -5.400 1.00 0.00 O ATOM 0 H ASP A 58 11.474 -4.185 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 58 13.949 -3.103 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.083 -5.594 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.083 -5.097 -4.755 1.00 0.00 H new ATOM 856 N SER A 59 12.874 -2.276 -5.772 1.00 0.00 N ATOM 857 CA SER A 59 12.340 -1.772 -7.030 1.00 0.00 C ATOM 858 C SER A 59 11.035 -2.465 -7.465 1.00 0.00 C ATOM 859 O SER A 59 10.295 -1.913 -8.287 1.00 0.00 O ATOM 860 CB SER A 59 13.438 -1.991 -8.079 1.00 0.00 C ATOM 861 OG SER A 59 14.608 -1.252 -7.749 1.00 0.00 O ATOM 0 H SER A 59 13.880 -2.431 -5.838 1.00 0.00 H new ATOM 0 HA SER A 59 12.077 -0.721 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.679 -3.052 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.075 -1.686 -9.061 1.00 0.00 H new ATOM 0 HG SER A 59 15.296 -1.407 -8.430 1.00 0.00 H new ATOM 866 N ALA A 60 10.724 -3.642 -6.910 1.00 0.00 N ATOM 867 CA ALA A 60 9.505 -4.374 -7.162 1.00 0.00 C ATOM 868 C ALA A 60 8.322 -3.656 -6.512 1.00 0.00 C ATOM 869 O ALA A 60 7.304 -3.432 -7.165 1.00 0.00 O ATOM 870 CB ALA A 60 9.661 -5.797 -6.616 1.00 0.00 C ATOM 0 H ALA A 60 11.343 -4.116 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 60 9.312 -4.428 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.746 -6.360 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.496 -6.289 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.852 -5.756 -5.544 1.00 0.00 H new ATOM 876 N GLY A 61 8.456 -3.274 -5.238 1.00 0.00 N ATOM 877 CA GLY A 61 7.351 -2.850 -4.392 1.00 0.00 C ATOM 878 C GLY A 61 6.605 -1.650 -4.958 1.00 0.00 C ATOM 879 O GLY A 61 5.380 -1.629 -5.061 1.00 0.00 O ATOM 0 H GLY A 61 9.358 -3.253 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.655 -3.680 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.732 -2.602 -3.401 1.00 0.00 H new ATOM 883 N LEU A 62 7.355 -0.635 -5.370 1.00 0.00 N ATOM 884 CA LEU A 62 6.819 0.637 -5.835 1.00 0.00 C ATOM 885 C LEU A 62 6.034 0.437 -7.123 1.00 0.00 C ATOM 886 O LEU A 62 4.934 0.967 -7.264 1.00 0.00 O ATOM 887 CB LEU A 62 7.920 1.699 -6.009 1.00 0.00 C ATOM 888 CG LEU A 62 9.324 1.217 -6.416 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.074 2.335 -7.139 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.112 0.837 -5.155 1.00 0.00 C ATOM 0 H LEU A 62 8.374 -0.675 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 62 6.141 1.014 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.581 2.413 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.012 2.243 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 62 9.225 0.356 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.066 1.983 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.522 2.624 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.170 3.196 -6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.108 0.495 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.198 1.707 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.590 0.039 -4.627 1.00 0.00 H new ATOM 901 N GLY A 63 6.574 -0.382 -8.020 1.00 0.00 N ATOM 902 CA GLY A 63 5.945 -0.796 -9.263 1.00 0.00 C ATOM 903 C GLY A 63 4.727 -1.691 -9.022 1.00 0.00 C ATOM 904 O GLY A 63 3.861 -1.783 -9.892 1.00 0.00 O ATOM 0 H GLY A 63 7.500 -0.790 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.640 0.086 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.671 -1.330 -9.876 1.00 0.00 H new ATOM 908 N THR A 64 4.643 -2.320 -7.849 1.00 0.00 N ATOM 909 CA THR A 64 3.560 -3.199 -7.430 1.00 0.00 C ATOM 910 C THR A 64 2.471 -2.365 -6.765 1.00 0.00 C ATOM 911 O THR A 64 1.326 -2.788 -6.739 1.00 0.00 O ATOM 912 CB THR A 64 4.115 -4.271 -6.468 1.00 0.00 C ATOM 913 OG1 THR A 64 5.153 -4.967 -7.133 1.00 0.00 O ATOM 914 CG2 THR A 64 3.081 -5.291 -5.989 1.00 0.00 C ATOM 0 H THR A 64 5.364 -2.223 -7.134 1.00 0.00 H new ATOM 0 HA THR A 64 3.126 -3.708 -8.291 1.00 0.00 H new ATOM 0 HB THR A 64 4.460 -3.742 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.984 -4.452 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.558 -6.005 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.280 -4.776 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.667 -5.820 -6.847 1.00 0.00 H new ATOM 922 N LEU A 65 2.793 -1.172 -6.260 1.00 0.00 N ATOM 923 CA LEU A 65 1.807 -0.257 -5.716 1.00 0.00 C ATOM 924 C LEU A 65 1.236 0.632 -6.802 1.00 0.00 C ATOM 925 O LEU A 65 0.027 0.758 -6.922 1.00 0.00 O ATOM 926 CB LEU A 65 2.446 0.540 -4.585 1.00 0.00 C ATOM 927 CG LEU A 65 2.444 -0.241 -3.259 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.400 0.452 -2.296 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.053 -0.316 -2.610 1.00 0.00 C ATOM 0 H LEU A 65 3.749 -0.819 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 65 0.965 -0.816 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.471 0.795 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.908 1.479 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 65 2.753 -1.264 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.414 -0.086 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.403 0.462 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.068 1.476 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.116 -0.879 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.694 0.692 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.361 -0.814 -3.289 1.00 0.00 H new ATOM 940 N VAL A 66 2.070 1.226 -7.645 1.00 0.00 N ATOM 941 CA VAL A 66 1.608 2.193 -8.638 1.00 0.00 C ATOM 942 C VAL A 66 0.654 1.562 -9.668 1.00 0.00 C ATOM 943 O VAL A 66 -0.225 2.231 -10.202 1.00 0.00 O ATOM 944 CB VAL A 66 2.852 2.848 -9.253 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.610 1.904 -10.169 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.508 4.152 -9.981 1.00 0.00 C ATOM 0 H VAL A 66 3.075 1.055 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 66 1.000 2.967 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 66 3.511 3.091 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.481 2.416 -10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.935 1.031 -9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.959 1.587 -10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.416 4.584 -10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.799 3.945 -10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.064 4.856 -9.277 1.00 0.00 H new ATOM 956 N VAL A 67 0.775 0.254 -9.908 1.00 0.00 N ATOM 957 CA VAL A 67 -0.163 -0.489 -10.749 1.00 0.00 C ATOM 958 C VAL A 67 -1.581 -0.497 -10.131 1.00 0.00 C ATOM 959 O VAL A 67 -2.585 -0.462 -10.847 1.00 0.00 O ATOM 960 CB VAL A 67 0.458 -1.869 -11.048 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.253 -2.860 -9.912 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.014 -2.477 -12.361 1.00 0.00 C ATOM 0 H VAL A 67 1.527 -0.319 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.320 -0.005 -11.713 1.00 0.00 H new ATOM 0 HB VAL A 67 1.526 -1.672 -11.146 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.709 -3.814 -10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.717 -2.474 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.814 -3.003 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.463 -3.446 -12.506 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.096 -2.606 -12.334 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.252 -1.815 -13.185 1.00 0.00 H new ATOM 972 N ILE A 68 -1.662 -0.475 -8.799 1.00 0.00 N ATOM 973 CA ILE A 68 -2.881 -0.389 -8.004 1.00 0.00 C ATOM 974 C ILE A 68 -3.349 1.063 -7.913 1.00 0.00 C ATOM 975 O ILE A 68 -4.548 1.312 -7.773 1.00 0.00 O ATOM 976 CB ILE A 68 -2.670 -0.926 -6.567 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.806 -2.194 -6.494 1.00 0.00 C ATOM 978 CG2 ILE A 68 -4.018 -1.162 -5.866 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.463 -3.467 -7.016 1.00 0.00 C ATOM 0 H ILE A 68 -0.827 -0.520 -8.215 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.632 -1.002 -8.502 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.115 -0.147 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.890 -2.021 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.515 -2.355 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.843 -1.539 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.569 -0.223 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.599 -1.891 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.768 -4.301 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.363 -3.675 -6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.728 -3.336 -8.065 1.00 0.00 H new ATOM 990 N LEU A 69 -2.446 2.050 -7.972 1.00 0.00 N ATOM 991 CA LEU A 69 -2.828 3.463 -8.028 1.00 0.00 C ATOM 992 C LEU A 69 -3.781 3.693 -9.207 1.00 0.00 C ATOM 993 O LEU A 69 -4.728 4.471 -9.089 1.00 0.00 O ATOM 994 CB LEU A 69 -1.577 4.360 -8.013 1.00 0.00 C ATOM 995 CG LEU A 69 -1.897 5.870 -8.026 1.00 0.00 C ATOM 996 CD1 LEU A 69 -0.902 6.641 -7.149 1.00 0.00 C ATOM 997 CD2 LEU A 69 -1.802 6.426 -9.450 1.00 0.00 C ATOM 0 H LEU A 69 -1.438 1.892 -7.982 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.387 3.750 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.986 4.130 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.959 4.121 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.909 5.994 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.145 7.703 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.962 6.277 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.109 6.492 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.031 7.492 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.793 6.275 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.515 5.908 -10.091 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.620 2.935 -10.297 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.674 2.750 -11.283 1.00 0.00 C ATOM 1010 C LYS A 70 -5.845 1.943 -10.725 1.00 0.00 C ATOM 1011 O LYS A 70 -6.933 2.496 -10.694 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.094 2.209 -12.589 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.192 2.008 -13.639 1.00 0.00 C ATOM 1014 CD LYS A 70 -4.776 2.576 -14.995 1.00 0.00 C ATOM 1015 CE LYS A 70 -5.956 2.455 -15.958 1.00 0.00 C ATOM 1016 NZ LYS A 70 -5.710 3.158 -17.229 1.00 0.00 N ATOM 0 H LYS A 70 -2.757 2.437 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.108 3.720 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.343 2.901 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.588 1.262 -12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.411 0.945 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.110 2.493 -13.306 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.477 3.619 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.914 2.034 -15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.152 1.402 -16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.851 2.862 -15.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.536 3.049 -17.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.548 4.168 -17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.872 2.753 -17.693 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.692 0.673 -10.333 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.817 -0.224 -10.010 1.00 0.00 C ATOM 1028 C ASP A 71 -7.848 0.377 -9.052 1.00 0.00 C ATOM 1029 O ASP A 71 -9.046 0.153 -9.233 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.330 -1.543 -9.405 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.785 -2.533 -10.422 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -6.380 -2.711 -11.508 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.718 -3.130 -10.151 1.00 0.00 O ATOM 0 H ASP A 71 -4.778 0.232 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.305 -0.391 -10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.553 -1.328 -8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.155 -2.009 -8.867 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.411 1.137 -8.046 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.270 1.869 -7.137 1.00 0.00 C ATOM 1039 C ALA A 72 -9.091 2.872 -7.937 1.00 0.00 C ATOM 1040 O ALA A 72 -10.314 2.789 -7.929 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.412 2.546 -6.059 1.00 0.00 C ATOM 0 H ALA A 72 -6.419 1.258 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.962 1.198 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.056 3.097 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.858 1.788 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.711 3.234 -6.531 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.428 3.771 -8.668 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.032 4.770 -9.546 1.00 0.00 C ATOM 1049 C LYS A 73 -10.026 4.167 -10.543 1.00 0.00 C ATOM 1050 O LYS A 73 -11.020 4.830 -10.829 1.00 0.00 O ATOM 1051 CB LYS A 73 -7.888 5.564 -10.211 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.271 6.395 -11.445 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.181 5.588 -12.757 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.437 5.820 -13.603 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.412 5.079 -14.880 1.00 0.00 N ATOM 0 H LYS A 73 -7.409 3.823 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.647 5.454 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.457 6.234 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.106 4.862 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.287 6.771 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.615 7.263 -11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.295 5.887 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.074 4.526 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.315 5.520 -13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.539 6.886 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.285 5.273 -15.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.591 5.382 -15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.343 4.059 -14.688 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.827 2.947 -11.053 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.792 2.289 -11.945 1.00 0.00 C ATOM 1067 C ILE A 74 -12.148 2.206 -11.243 1.00 0.00 C ATOM 1068 O ILE A 74 -13.180 2.519 -11.837 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.301 0.885 -12.381 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.874 0.963 -12.955 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.255 0.260 -13.412 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.282 -0.361 -13.417 1.00 0.00 C ATOM 0 H ILE A 74 -8.996 2.388 -10.861 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.892 2.882 -12.854 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.289 0.247 -11.497 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.877 1.654 -13.798 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.218 1.389 -12.196 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.886 -0.724 -13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.249 0.161 -12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.308 0.899 -14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.276 -0.195 -13.803 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.238 -1.053 -12.576 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.907 -0.785 -14.203 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.131 1.821 -9.965 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.313 1.702 -9.121 1.00 0.00 C ATOM 1085 C ASN A 75 -13.545 2.968 -8.285 1.00 0.00 C ATOM 1086 O ASN A 75 -14.269 2.965 -7.289 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.178 0.447 -8.260 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.560 -0.084 -7.920 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.143 0.252 -6.900 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -15.112 -0.921 -8.771 1.00 0.00 N ATOM 0 H ASN A 75 -11.268 1.577 -9.479 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.199 1.601 -9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.606 -0.313 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.630 0.677 -7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.040 -1.300 -8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.612 -1.191 -9.618 1.00 0.00 H new ATOM 1096 N GLY A 76 -12.858 4.055 -8.641 1.00 0.00 N ATOM 1097 CA GLY A 76 -12.912 5.344 -7.982 1.00 0.00 C ATOM 1098 C GLY A 76 -12.483 5.309 -6.516 1.00 0.00 C ATOM 1099 O GLY A 76 -12.858 6.204 -5.757 1.00 0.00 O ATOM 0 H GLY A 76 -12.220 4.051 -9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.273 6.043 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.930 5.730 -8.043 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.755 4.276 -6.077 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.325 4.150 -4.696 1.00 0.00 C ATOM 1105 C LYS A 77 -10.100 5.054 -4.537 1.00 0.00 C ATOM 1106 O LYS A 77 -9.377 5.333 -5.501 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.025 2.679 -4.348 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.120 1.661 -4.725 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.240 1.363 -3.713 1.00 0.00 C ATOM 1110 CE LYS A 77 -13.953 0.080 -4.190 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.432 0.128 -4.153 1.00 0.00 N ATOM 0 H LYS A 77 -11.452 3.508 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.106 4.460 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.100 2.389 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.845 2.609 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.591 2.009 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.626 0.717 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.829 1.226 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.941 2.196 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.638 -0.133 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.617 -0.753 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.789 -0.641 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.740 1.043 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.807 0.016 -5.116 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.873 5.508 -3.315 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.743 6.323 -2.897 1.00 0.00 C ATOM 1123 C GLU A 78 -7.517 5.443 -2.639 1.00 0.00 C ATOM 1124 O GLU A 78 -7.590 4.216 -2.724 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.132 7.073 -1.610 1.00 0.00 C ATOM 1126 CG GLU A 78 -9.094 8.585 -1.789 1.00 0.00 C ATOM 1127 CD GLU A 78 -10.386 9.105 -2.418 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.712 8.722 -3.564 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -11.130 9.847 -1.735 1.00 0.00 O ATOM 0 H GLU A 78 -10.509 5.306 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.492 7.034 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.134 6.770 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.453 6.787 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.940 9.064 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.246 8.857 -2.418 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.384 6.050 -2.281 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.183 5.328 -1.897 1.00 0.00 C ATOM 1136 C PHE A 79 -4.254 6.223 -1.082 1.00 0.00 C ATOM 1137 O PHE A 79 -3.978 7.352 -1.490 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.496 4.838 -3.164 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.028 4.536 -2.982 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.621 3.523 -2.096 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.069 5.338 -3.624 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.255 3.296 -1.873 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.704 5.109 -3.407 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.298 4.085 -2.534 1.00 0.00 C ATOM 0 H PHE A 79 -6.280 7.064 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.444 4.477 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.002 3.939 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.609 5.593 -3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.359 2.920 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.385 6.132 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.939 2.517 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.034 5.717 -3.909 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.754 3.904 -2.370 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.770 5.718 0.056 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.871 6.396 0.987 1.00 0.00 C ATOM 1155 C ILE A 80 -1.880 5.348 1.515 1.00 0.00 C ATOM 1156 O ILE A 80 -2.262 4.185 1.638 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.724 7.041 2.112 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.706 8.087 1.534 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.821 7.663 3.183 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.687 8.698 2.530 1.00 0.00 C ATOM 0 H ILE A 80 -4.009 4.776 0.367 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.302 7.197 0.515 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.317 6.257 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.126 8.892 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.276 7.618 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.437 8.110 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.188 6.890 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.195 8.432 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.326 9.417 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.302 7.910 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.134 9.204 3.321 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.646 5.736 1.863 1.00 0.00 N ATOM 1172 CA LEU A 81 0.321 4.890 2.575 1.00 0.00 C ATOM 1173 C LEU A 81 0.556 5.498 3.958 1.00 0.00 C ATOM 1174 O LEU A 81 0.740 6.713 4.051 1.00 0.00 O ATOM 1175 CB LEU A 81 1.683 4.873 1.855 1.00 0.00 C ATOM 1176 CG LEU A 81 1.756 4.345 0.413 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.158 4.607 -0.154 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.510 2.839 0.305 1.00 0.00 C ATOM 0 H LEU A 81 -0.284 6.666 1.653 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.078 3.877 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.067 5.893 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.367 4.277 2.459 1.00 0.00 H new ATOM 0 HG LEU A 81 0.974 4.866 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.213 4.234 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.359 5.678 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.900 4.095 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.576 2.534 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.261 2.305 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.518 2.604 0.690 1.00 0.00 H new ATOM 1189 N SER A 82 0.637 4.677 5.005 1.00 0.00 N ATOM 1190 CA SER A 82 0.904 5.124 6.363 1.00 0.00 C ATOM 1191 C SER A 82 1.844 4.182 7.116 1.00 0.00 C ATOM 1192 O SER A 82 2.144 3.077 6.666 1.00 0.00 O ATOM 1193 CB SER A 82 -0.443 5.342 7.066 1.00 0.00 C ATOM 1194 OG SER A 82 -0.674 6.721 7.144 1.00 0.00 O ATOM 0 H SER A 82 0.516 3.667 4.927 1.00 0.00 H new ATOM 0 HA SER A 82 1.445 6.070 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.245 4.852 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.428 4.901 8.063 1.00 0.00 H new ATOM 0 HG SER A 82 -1.523 6.885 7.605 1.00 0.00 H new ATOM 1199 N SER A 83 2.333 4.649 8.264 1.00 0.00 N ATOM 1200 CA SER A 83 3.393 4.068 9.076 1.00 0.00 C ATOM 1201 C SER A 83 4.643 3.737 8.245 1.00 0.00 C ATOM 1202 O SER A 83 5.281 2.694 8.434 1.00 0.00 O ATOM 1203 CB SER A 83 2.848 2.846 9.831 1.00 0.00 C ATOM 1204 OG SER A 83 3.822 2.392 10.754 1.00 0.00 O ATOM 0 H SER A 83 1.969 5.507 8.678 1.00 0.00 H new ATOM 0 HA SER A 83 3.718 4.807 9.809 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.929 3.108 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.599 2.051 9.128 1.00 0.00 H new ATOM 0 HG SER A 83 4.687 2.308 10.302 1.00 0.00 H new ATOM 1209 N LEU A 84 4.971 4.600 7.293 1.00 0.00 N ATOM 1210 CA LEU A 84 6.076 4.471 6.377 1.00 0.00 C ATOM 1211 C LEU A 84 7.400 4.623 7.132 1.00 0.00 C ATOM 1212 O LEU A 84 7.718 5.659 7.714 1.00 0.00 O ATOM 1213 CB LEU A 84 5.839 5.483 5.232 1.00 0.00 C ATOM 1214 CG LEU A 84 4.986 4.867 4.106 1.00 0.00 C ATOM 1215 CD1 LEU A 84 4.654 5.982 3.121 1.00 0.00 C ATOM 1216 CD2 LEU A 84 5.650 3.716 3.329 1.00 0.00 C ATOM 0 H LEU A 84 4.437 5.455 7.138 1.00 0.00 H new ATOM 0 HA LEU A 84 6.141 3.483 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.341 6.369 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.797 5.809 4.828 1.00 0.00 H new ATOM 0 HG LEU A 84 4.111 4.429 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.049 5.581 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.098 6.767 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.577 6.397 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.967 3.354 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.566 4.075 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.888 2.903 4.015 1.00 0.00 H new ATOM 1227 N LYS A 85 8.195 3.547 7.125 1.00 0.00 N ATOM 1228 CA LYS A 85 9.511 3.491 7.743 1.00 0.00 C ATOM 1229 C LYS A 85 10.459 4.469 7.132 1.00 0.00 C ATOM 1230 O LYS A 85 10.541 4.572 5.912 1.00 0.00 O ATOM 1231 CB LYS A 85 10.149 2.114 7.619 1.00 0.00 C ATOM 1232 CG LYS A 85 9.341 1.103 8.413 1.00 0.00 C ATOM 1233 CD LYS A 85 10.223 -0.093 8.753 1.00 0.00 C ATOM 1234 CE LYS A 85 9.507 -0.888 9.828 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.121 -0.745 11.163 1.00 0.00 N ATOM 0 H LYS A 85 7.927 2.671 6.676 1.00 0.00 H new ATOM 0 HA LYS A 85 9.340 3.732 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.194 1.816 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.175 2.143 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.961 1.561 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.475 0.778 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.394 -0.708 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.200 0.238 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.467 -0.566 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.501 -1.942 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.587 -1.311 11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.106 -1.078 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.103 0.255 11.448 1.00 0.00 H new ATOM 1245 N GLU A 86 11.312 5.024 7.971 1.00 0.00 N ATOM 1246 CA GLU A 86 12.161 6.145 7.574 1.00 0.00 C ATOM 1247 C GLU A 86 13.134 5.759 6.445 1.00 0.00 C ATOM 1248 O GLU A 86 13.540 6.610 5.649 1.00 0.00 O ATOM 1249 CB GLU A 86 12.920 6.657 8.810 1.00 0.00 C ATOM 1250 CG GLU A 86 13.561 8.041 8.637 1.00 0.00 C ATOM 1251 CD GLU A 86 12.591 9.199 8.869 1.00 0.00 C ATOM 1252 OE1 GLU A 86 11.357 9.025 8.727 1.00 0.00 O ATOM 1253 OE2 GLU A 86 13.076 10.308 9.179 1.00 0.00 O ATOM 0 H GLU A 86 11.440 4.720 8.936 1.00 0.00 H new ATOM 0 HA GLU A 86 11.529 6.940 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.231 6.693 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.700 5.939 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.397 8.134 9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.972 8.118 7.630 1.00 0.00 H new ATOM 1258 N SER A 87 13.482 4.471 6.340 1.00 0.00 N ATOM 1259 CA SER A 87 14.428 4.003 5.320 1.00 0.00 C ATOM 1260 C SER A 87 13.737 3.576 4.022 1.00 0.00 C ATOM 1261 O SER A 87 14.415 3.375 3.015 1.00 0.00 O ATOM 1262 CB SER A 87 15.334 2.905 5.882 1.00 0.00 C ATOM 1263 OG SER A 87 16.268 3.483 6.775 1.00 0.00 O ATOM 0 H SER A 87 13.123 3.735 6.948 1.00 0.00 H new ATOM 0 HA SER A 87 15.058 4.851 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.737 2.153 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.855 2.397 5.071 1.00 0.00 H new ATOM 0 HG SER A 87 16.849 2.783 7.139 1.00 0.00 H new ATOM 1268 N ILE A 88 12.406 3.529 3.998 1.00 0.00 N ATOM 1269 CA ILE A 88 11.590 3.271 2.819 1.00 0.00 C ATOM 1270 C ILE A 88 10.977 4.597 2.345 1.00 0.00 C ATOM 1271 O ILE A 88 10.840 4.821 1.145 1.00 0.00 O ATOM 1272 CB ILE A 88 10.526 2.214 3.150 1.00 0.00 C ATOM 1273 CG1 ILE A 88 11.020 0.927 3.839 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.675 1.936 1.913 1.00 0.00 C ATOM 1275 CD1 ILE A 88 12.029 0.075 3.079 1.00 0.00 C ATOM 0 H ILE A 88 11.845 3.676 4.837 1.00 0.00 H new ATOM 0 HA ILE A 88 12.194 2.871 2.005 1.00 0.00 H new ATOM 0 HB ILE A 88 9.910 2.658 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.464 1.204 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.151 0.307 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.921 1.186 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.184 2.856 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.312 1.568 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.291 -0.798 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.593 -0.249 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.926 0.662 2.882 1.00 0.00 H new ATOM 1286 N SER A 89 10.685 5.515 3.263 1.00 0.00 N ATOM 1287 CA SER A 89 10.071 6.794 2.962 1.00 0.00 C ATOM 1288 C SER A 89 11.019 7.558 2.039 1.00 0.00 C ATOM 1289 O SER A 89 10.643 8.008 0.952 1.00 0.00 O ATOM 1290 CB SER A 89 9.811 7.615 4.239 1.00 0.00 C ATOM 1291 OG SER A 89 9.043 6.883 5.164 1.00 0.00 O ATOM 0 H SER A 89 10.875 5.382 4.256 1.00 0.00 H new ATOM 0 HA SER A 89 9.105 6.627 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.761 7.898 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.293 8.539 3.982 1.00 0.00 H new ATOM 0 HG SER A 89 9.567 6.125 5.497 1.00 0.00 H new ATOM 1296 N ARG A 90 12.302 7.603 2.439 1.00 0.00 N ATOM 1297 CA ARG A 90 13.372 8.121 1.594 1.00 0.00 C ATOM 1298 C ARG A 90 13.355 7.459 0.223 1.00 0.00 C ATOM 1299 O ARG A 90 13.518 8.141 -0.771 1.00 0.00 O ATOM 1300 CB ARG A 90 14.748 8.007 2.265 1.00 0.00 C ATOM 1301 CG ARG A 90 15.328 6.592 2.166 1.00 0.00 C ATOM 1302 CD ARG A 90 16.363 6.313 3.225 1.00 0.00 C ATOM 1303 NE ARG A 90 17.700 6.851 2.944 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.812 6.463 3.582 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.750 5.643 4.627 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.989 6.900 3.157 1.00 0.00 N ATOM 0 H ARG A 90 12.617 7.281 3.354 1.00 0.00 H new ATOM 0 HA ARG A 90 13.185 9.185 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.436 8.713 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.663 8.290 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.520 5.866 2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.775 6.455 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.013 6.726 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.443 5.234 3.358 1.00 0.00 H new ATOM 0 HE ARG A 90 17.787 7.563 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.846 5.300 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.606 5.357 5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.041 7.525 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.843 6.612 3.635 1.00 0.00 H new ATOM 1317 N ILE A 91 13.185 6.141 0.155 1.00 0.00 N ATOM 1318 CA ILE A 91 13.338 5.350 -1.050 1.00 0.00 C ATOM 1319 C ILE A 91 12.303 5.817 -2.075 1.00 0.00 C ATOM 1320 O ILE A 91 12.655 6.090 -3.222 1.00 0.00 O ATOM 1321 CB ILE A 91 13.226 3.850 -0.672 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.631 3.245 -0.549 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.306 3.041 -1.597 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.619 1.799 -0.037 1.00 0.00 C ATOM 0 H ILE A 91 12.928 5.581 0.968 1.00 0.00 H new ATOM 0 HA ILE A 91 14.316 5.483 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 91 12.734 3.792 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.120 3.276 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.227 3.859 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.280 2.002 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.299 3.457 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.684 3.088 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.642 1.428 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.158 1.766 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.049 1.174 -0.725 1.00 0.00 H new ATOM 1335 N LEU A 92 11.038 5.965 -1.655 1.00 0.00 N ATOM 1336 CA LEU A 92 9.977 6.474 -2.491 1.00 0.00 C ATOM 1337 C LEU A 92 10.420 7.830 -3.006 1.00 0.00 C ATOM 1338 O LEU A 92 10.437 8.039 -4.211 1.00 0.00 O ATOM 1339 CB LEU A 92 8.658 6.572 -1.706 1.00 0.00 C ATOM 1340 CG LEU A 92 8.161 5.210 -1.171 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.295 5.368 0.076 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.380 4.470 -2.252 1.00 0.00 C ATOM 0 H LEU A 92 10.734 5.727 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 92 9.788 5.800 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.792 7.256 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.891 7.003 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 92 9.041 4.630 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.967 4.386 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.874 5.852 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.424 5.979 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.036 3.512 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.521 5.068 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.025 4.300 -3.114 1.00 0.00 H new ATOM 1353 N LYS A 93 10.851 8.745 -2.138 1.00 0.00 N ATOM 1354 CA LYS A 93 11.325 10.048 -2.538 1.00 0.00 C ATOM 1355 C LYS A 93 12.455 9.963 -3.548 1.00 0.00 C ATOM 1356 O LYS A 93 12.483 10.748 -4.499 1.00 0.00 O ATOM 1357 CB LYS A 93 11.717 10.745 -1.240 1.00 0.00 C ATOM 1358 CG LYS A 93 12.908 11.684 -1.336 1.00 0.00 C ATOM 1359 CD LYS A 93 14.277 11.152 -0.897 1.00 0.00 C ATOM 1360 CE LYS A 93 15.303 12.273 -0.705 1.00 0.00 C ATOM 1361 NZ LYS A 93 15.029 13.129 0.471 1.00 0.00 N ATOM 0 H LYS A 93 10.877 8.590 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 93 10.560 10.618 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.859 11.311 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.936 9.984 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.993 12.012 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.686 12.569 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.167 10.599 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.647 10.448 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.295 11.833 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.322 12.894 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.856 13.730 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.202 13.729 0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.837 12.530 1.299 1.00 0.00 H new ATOM 1371 N LEU A 94 13.384 9.036 -3.340 1.00 0.00 N ATOM 1372 CA LEU A 94 14.615 8.958 -4.084 1.00 0.00 C ATOM 1373 C LEU A 94 14.222 8.674 -5.533 1.00 0.00 C ATOM 1374 O LEU A 94 14.479 9.483 -6.423 1.00 0.00 O ATOM 1375 CB LEU A 94 15.539 7.849 -3.526 1.00 0.00 C ATOM 1376 CG LEU A 94 16.379 8.177 -2.277 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.153 6.925 -1.858 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.340 9.351 -2.459 1.00 0.00 C ATOM 0 H LEU A 94 13.291 8.307 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 94 15.179 9.887 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.920 6.982 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.223 7.551 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 94 15.681 8.488 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.751 7.146 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.451 6.123 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.808 6.613 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.893 9.516 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.039 9.127 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 94 16.774 10.249 -2.708 1.00 0.00 H new ATOM 1389 N THR A 95 13.493 7.578 -5.760 1.00 0.00 N ATOM 1390 CA THR A 95 12.998 7.149 -7.069 1.00 0.00 C ATOM 1391 C THR A 95 11.866 8.041 -7.607 1.00 0.00 C ATOM 1392 O THR A 95 11.518 7.977 -8.786 1.00 0.00 O ATOM 1393 CB THR A 95 12.621 5.653 -6.966 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.624 4.962 -6.238 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.505 4.961 -8.325 1.00 0.00 C ATOM 0 H THR A 95 13.222 6.943 -5.009 1.00 0.00 H new ATOM 0 HA THR A 95 13.783 7.265 -7.817 1.00 0.00 H new ATOM 0 HB THR A 95 11.649 5.622 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.385 4.014 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.238 3.914 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.734 5.452 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.460 5.022 -8.847 1.00 0.00 H new ATOM 1403 N HIS A 96 11.372 8.953 -6.772 1.00 0.00 N ATOM 1404 CA HIS A 96 10.466 10.074 -7.010 1.00 0.00 C ATOM 1405 C HIS A 96 9.015 9.729 -6.725 1.00 0.00 C ATOM 1406 O HIS A 96 8.140 10.527 -7.009 1.00 0.00 O ATOM 1407 CB HIS A 96 10.531 10.752 -8.394 1.00 0.00 C ATOM 1408 CG HIS A 96 11.893 11.115 -8.954 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.141 10.917 -8.379 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.091 11.667 -10.189 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.066 11.314 -9.269 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.454 11.787 -10.368 1.00 0.00 N ATOM 0 H HIS A 96 11.632 8.917 -5.786 1.00 0.00 H new ATOM 0 HA HIS A 96 10.850 10.801 -6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.042 10.092 -9.111 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.938 11.665 -8.345 1.00 0.00 H new ATOM 0 HD1 HIS A 96 13.323 10.539 -7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.324 11.955 -10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.135 11.261 -9.124 1.00 0.00 H new ATOM 1420 N LEU A 97 8.714 8.577 -6.150 1.00 0.00 N ATOM 1421 CA LEU A 97 7.362 8.207 -5.814 1.00 0.00 C ATOM 1422 C LEU A 97 6.704 9.176 -4.856 1.00 0.00 C ATOM 1423 O LEU A 97 5.499 9.370 -4.952 1.00 0.00 O ATOM 1424 CB LEU A 97 7.350 6.797 -5.225 1.00 0.00 C ATOM 1425 CG LEU A 97 6.859 5.853 -6.336 1.00 0.00 C ATOM 1426 CD1 LEU A 97 7.984 5.535 -7.327 1.00 0.00 C ATOM 1427 CD2 LEU A 97 6.249 4.616 -5.707 1.00 0.00 C ATOM 0 H LEU A 97 9.409 7.872 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 97 6.781 8.237 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.346 6.511 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.693 6.747 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 97 6.081 6.343 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.609 4.866 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.337 6.459 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.808 5.054 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.900 3.944 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.999 4.108 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.409 4.905 -5.076 1.00 0.00 H new ATOM 1438 N ASP A 98 7.444 9.792 -3.937 1.00 0.00 N ATOM 1439 CA ASP A 98 6.798 10.568 -2.889 1.00 0.00 C ATOM 1440 C ASP A 98 6.164 11.852 -3.428 1.00 0.00 C ATOM 1441 O ASP A 98 5.268 12.381 -2.775 1.00 0.00 O ATOM 1442 CB ASP A 98 7.762 10.859 -1.727 1.00 0.00 C ATOM 1443 CG ASP A 98 8.442 12.230 -1.818 1.00 0.00 C ATOM 1444 OD1 ASP A 98 9.036 12.541 -2.870 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.385 12.974 -0.811 1.00 0.00 O ATOM 0 H ASP A 98 8.463 9.770 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 98 5.986 9.955 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.213 10.797 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.528 10.084 -1.700 1.00 0.00 H new ATOM 1449 N LYS A 99 6.550 12.326 -4.621 1.00 0.00 N ATOM 1450 CA LYS A 99 5.879 13.441 -5.280 1.00 0.00 C ATOM 1451 C LYS A 99 4.580 13.035 -5.992 1.00 0.00 C ATOM 1452 O LYS A 99 3.856 13.915 -6.441 1.00 0.00 O ATOM 1453 CB LYS A 99 6.834 14.226 -6.196 1.00 0.00 C ATOM 1454 CG LYS A 99 7.649 13.362 -7.126 1.00 0.00 C ATOM 1455 CD LYS A 99 8.177 14.062 -8.387 1.00 0.00 C ATOM 1456 CE LYS A 99 9.132 15.239 -8.133 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.443 16.500 -7.776 1.00 0.00 N ATOM 0 H LYS A 99 7.334 11.944 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 99 5.571 14.120 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.252 14.931 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.512 14.814 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.498 12.962 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.039 12.512 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.691 13.325 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.327 14.424 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.819 14.971 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.735 15.405 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.067 17.306 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.570 16.588 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.208 16.492 -6.763 1.00 0.00 H new ATOM 1467 N ILE A 100 4.275 11.739 -6.094 1.00 0.00 N ATOM 1468 CA ILE A 100 3.223 11.195 -6.949 1.00 0.00 C ATOM 1469 C ILE A 100 2.370 10.146 -6.206 1.00 0.00 C ATOM 1470 O ILE A 100 1.561 9.450 -6.817 1.00 0.00 O ATOM 1471 CB ILE A 100 3.866 10.668 -8.258 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.031 9.687 -8.040 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.356 11.829 -9.150 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.711 9.168 -9.314 1.00 0.00 C ATOM 0 H ILE A 100 4.770 11.019 -5.567 1.00 0.00 H new ATOM 0 HA ILE A 100 2.517 11.980 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 100 3.066 10.117 -8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.784 10.177 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.661 8.832 -7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.802 11.426 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.513 12.468 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.100 12.414 -8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.517 8.485 -9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.980 8.642 -9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.120 10.008 -9.876 1.00 0.00 H new ATOM 1485 N PHE A 101 2.565 10.006 -4.893 1.00 0.00 N ATOM 1486 CA PHE A 101 1.864 9.130 -3.957 1.00 0.00 C ATOM 1487 C PHE A 101 1.392 9.973 -2.753 1.00 0.00 C ATOM 1488 O PHE A 101 1.751 11.153 -2.631 1.00 0.00 O ATOM 1489 CB PHE A 101 2.843 8.023 -3.511 1.00 0.00 C ATOM 1490 CG PHE A 101 2.868 6.746 -4.337 1.00 0.00 C ATOM 1491 CD1 PHE A 101 3.119 6.756 -5.716 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.654 5.509 -3.718 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.073 5.577 -6.470 1.00 0.00 C ATOM 1494 CE2 PHE A 101 2.601 4.327 -4.448 1.00 0.00 C ATOM 1495 CZ PHE A 101 2.796 4.369 -5.824 1.00 0.00 C ATOM 0 H PHE A 101 3.282 10.553 -4.417 1.00 0.00 H new ATOM 0 HA PHE A 101 0.992 8.668 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.849 8.443 -3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.605 7.755 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.352 7.690 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.527 5.472 -2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.249 5.601 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.411 3.387 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.733 3.458 -6.400 1.00 0.00 H new ATOM 1504 N LYS A 102 0.658 9.368 -1.807 1.00 0.00 N ATOM 1505 CA LYS A 102 0.303 9.984 -0.523 1.00 0.00 C ATOM 1506 C LYS A 102 0.970 9.234 0.605 1.00 0.00 C ATOM 1507 O LYS A 102 1.036 8.005 0.568 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.222 10.051 -0.346 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.638 10.748 0.963 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.979 11.486 0.893 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.431 11.767 2.334 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.681 12.544 2.385 1.00 0.00 N ATOM 0 H LYS A 102 0.290 8.423 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 102 0.666 11.012 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.659 10.583 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.630 9.040 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.689 10.002 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.861 11.459 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.875 12.417 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.721 10.883 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.571 10.822 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.646 12.311 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.947 12.709 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.542 13.457 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.438 12.015 1.907 1.00 0.00 H new ATOM 1522 N ILE A 103 1.448 10.001 1.583 1.00 0.00 N ATOM 1523 CA ILE A 103 2.111 9.521 2.770 1.00 0.00 C ATOM 1524 C ILE A 103 1.482 10.225 3.971 1.00 0.00 C ATOM 1525 O ILE A 103 1.308 11.450 3.935 1.00 0.00 O ATOM 1526 CB ILE A 103 3.643 9.745 2.677 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.291 8.929 1.529 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.315 9.409 4.025 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.418 9.688 0.201 1.00 0.00 C ATOM 0 H ILE A 103 1.375 11.018 1.558 1.00 0.00 H new ATOM 0 HA ILE A 103 1.978 8.445 2.881 1.00 0.00 H new ATOM 0 HB ILE A 103 3.802 10.799 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.283 8.606 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.701 8.028 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.390 9.570 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.908 10.052 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.122 8.366 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.881 9.042 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.428 9.987 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.035 10.575 0.346 1.00 0.00 H new ATOM 1540 N THR A 104 1.194 9.451 5.014 1.00 0.00 N ATOM 1541 CA THR A 104 0.687 9.872 6.311 1.00 0.00 C ATOM 1542 C THR A 104 1.351 9.025 7.404 1.00 0.00 C ATOM 1543 O THR A 104 2.159 8.144 7.115 1.00 0.00 O ATOM 1544 CB THR A 104 -0.853 9.831 6.316 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.349 8.744 5.571 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.497 11.065 5.680 1.00 0.00 C ATOM 0 H THR A 104 1.319 8.440 4.968 1.00 0.00 H new ATOM 0 HA THR A 104 0.948 10.909 6.521 1.00 0.00 H new ATOM 0 HB THR A 104 -1.106 9.763 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.322 7.932 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.582 10.969 5.718 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.192 11.957 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.176 11.149 4.642 1.00 0.00 H new ATOM 1554 N ASP A 105 1.060 9.315 8.668 1.00 0.00 N ATOM 1555 CA ASP A 105 1.707 8.717 9.834 1.00 0.00 C ATOM 1556 C ASP A 105 1.006 7.437 10.212 1.00 0.00 C ATOM 1557 O ASP A 105 1.605 6.374 10.343 1.00 0.00 O ATOM 1558 CB ASP A 105 1.570 9.675 11.030 1.00 0.00 C ATOM 1559 CG ASP A 105 2.722 9.526 12.035 1.00 0.00 C ATOM 1560 OD1 ASP A 105 3.268 8.406 12.214 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.062 10.532 12.688 1.00 0.00 O ATOM 0 H ASP A 105 0.343 9.996 8.919 1.00 0.00 H new ATOM 0 HA ASP A 105 2.752 8.525 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.539 10.702 10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.623 9.487 11.536 1.00 0.00 H new ATOM 1565 N THR A 106 -0.296 7.560 10.387 1.00 0.00 N ATOM 1566 CA THR A 106 -1.139 6.555 10.991 1.00 0.00 C ATOM 1567 C THR A 106 -2.190 6.234 9.955 1.00 0.00 C ATOM 1568 O THR A 106 -2.484 7.064 9.085 1.00 0.00 O ATOM 1569 CB THR A 106 -1.717 7.086 12.320 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.399 8.311 12.131 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.617 7.310 13.362 1.00 0.00 C ATOM 0 H THR A 106 -0.810 8.393 10.101 1.00 0.00 H new ATOM 0 HA THR A 106 -0.603 5.644 11.259 1.00 0.00 H new ATOM 0 HB THR A 106 -2.412 6.326 12.678 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.756 8.623 12.989 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.061 7.684 14.285 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.107 6.368 13.561 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.100 8.038 12.983 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.770 5.045 10.002 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.914 4.754 9.161 1.00 0.00 C ATOM 1581 C VAL A 107 -5.126 5.595 9.606 1.00 0.00 C ATOM 1582 O VAL A 107 -6.059 5.846 8.846 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.145 3.240 9.148 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -2.920 2.525 8.569 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.404 2.650 10.532 1.00 0.00 C ATOM 0 H VAL A 107 -2.471 4.278 10.605 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.736 5.045 8.126 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.034 3.086 8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.095 1.449 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.746 2.869 7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.046 2.748 9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.559 1.574 10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.546 2.843 11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.292 3.111 10.964 1.00 0.00 H new ATOM 1595 N GLU A 108 -5.059 6.116 10.831 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.925 7.151 11.351 1.00 0.00 C ATOM 1597 C GLU A 108 -5.846 8.439 10.524 1.00 0.00 C ATOM 1598 O GLU A 108 -6.911 8.964 10.212 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.583 7.428 12.820 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.668 6.927 13.777 1.00 0.00 C ATOM 1601 CD GLU A 108 -6.363 7.326 15.220 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -6.085 8.522 15.469 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -6.347 6.434 16.102 1.00 0.00 O ATOM 0 H GLU A 108 -4.365 5.808 11.512 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.952 6.792 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.636 6.948 13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.444 8.500 12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.634 7.336 13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.746 5.842 13.706 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.658 8.941 10.133 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.510 10.237 9.480 1.00 0.00 C ATOM 1610 C GLU A 109 -5.260 10.315 8.145 1.00 0.00 C ATOM 1611 O GLU A 109 -5.483 11.412 7.637 1.00 0.00 O ATOM 1612 CB GLU A 109 -3.001 10.506 9.292 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.423 11.534 10.271 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.544 13.003 9.838 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -3.077 13.345 8.757 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -2.021 13.878 10.568 1.00 0.00 O ATOM 0 H GLU A 109 -3.775 8.448 10.267 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.958 11.005 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.459 9.567 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.829 10.853 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.923 11.415 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.369 11.306 10.429 1.00 0.00 H new ATOM 1621 N ALA A 110 -5.636 9.172 7.567 1.00 0.00 N ATOM 1622 CA ALA A 110 -6.241 9.118 6.255 1.00 0.00 C ATOM 1623 C ALA A 110 -7.585 9.844 6.226 1.00 0.00 C ATOM 1624 O ALA A 110 -7.804 10.736 5.380 1.00 0.00 O ATOM 1625 CB ALA A 110 -6.380 7.664 5.791 1.00 0.00 C ATOM 0 H ALA A 110 -5.524 8.259 8.007 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.584 9.637 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.837 7.640 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.394 7.200 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -7.007 7.116 6.494 1.00 0.00 H new TER 1631 ALA A 110