USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=29 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 -171:sc= 2.12 USER MOD Set 1.2: A 104 THR OG1 : rot 67:sc= 1.26 USER MOD Set 2.1: A 55 SER OG : rot -110:sc= 0.731 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 158:sc= 0.819 (180deg=0) USER MOD Set 3.1: A 28 SER OG : rot 52:sc= 1.14 USER MOD Set 3.2: A 64 THR OG1 : rot 79:sc= 1.79 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.00311 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.948 K(o=0.95,f=-1.8) USER MOD Single : A 3 ASN : amide:sc= -0.363 K(o=-0.36,f=-3.4!) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= 0.381 (180deg=0.186) USER MOD Single : A 11 GLN : amide:sc= -0.86 K(o=-0.86,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00984 K(o=-0.0098,f=-2.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.73 K(o=-2.7,f=-6.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 0.651 (180deg=-0.182) USER MOD Single : A 34 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc= -0.0914 K(o=-0.091,f=-1.9!) 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 20:sc= 1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.866) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -127:sc= 0.772 (180deg=-1.68!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -0.0348 USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 MET CE :methyl -161:sc= -0.705 (180deg=-1.37) 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+ -174:sc= 0 (180deg=-0.00489) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.16) USER MOD Single : A 83 SER OG : rot -46:sc= 0.702 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00901 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.631 -12.522 11.556 1.00 0.00 N ATOM 2 CA MET A 1 9.242 -12.937 11.296 1.00 0.00 C ATOM 3 C MET A 1 8.655 -12.082 10.186 1.00 0.00 C ATOM 4 O MET A 1 8.727 -10.857 10.275 1.00 0.00 O ATOM 5 CB MET A 1 8.360 -12.794 12.542 1.00 0.00 C ATOM 6 CG MET A 1 8.263 -14.105 13.311 1.00 0.00 C ATOM 7 SD MET A 1 6.950 -14.079 14.556 1.00 0.00 S ATOM 8 CE MET A 1 7.278 -15.678 15.320 1.00 0.00 C ATOM 0 H1 MET A 1 10.826 -12.581 12.576 1.00 0.00 H new ATOM 0 H2 MET A 1 11.283 -13.149 11.042 1.00 0.00 H new ATOM 0 H3 MET A 1 10.767 -11.542 11.234 1.00 0.00 H new ATOM 0 HA MET A 1 9.263 -13.988 11.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.769 -12.020 13.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.362 -12.469 12.247 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.081 -14.921 12.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.217 -14.309 13.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.563 -15.851 16.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.180 -16.465 14.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.290 -15.687 15.726 1.00 0.00 H new ATOM 16 N ASN A 2 8.035 -12.700 9.181 1.00 0.00 N ATOM 17 CA ASN A 2 7.100 -12.048 8.267 1.00 0.00 C ATOM 18 C ASN A 2 5.909 -12.981 8.088 1.00 0.00 C ATOM 19 O ASN A 2 6.006 -14.166 8.414 1.00 0.00 O ATOM 20 CB ASN A 2 7.748 -11.760 6.899 1.00 0.00 C ATOM 21 CG ASN A 2 8.506 -10.441 6.863 1.00 0.00 C ATOM 22 OD1 ASN A 2 8.119 -9.457 7.480 1.00 0.00 O ATOM 23 ND2 ASN A 2 9.569 -10.371 6.093 1.00 0.00 N ATOM 0 H ASN A 2 8.172 -13.690 8.976 1.00 0.00 H new ATOM 0 HA ASN A 2 6.793 -11.089 8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.431 -12.572 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.973 -11.748 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 2 10.079 -9.492 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.884 -11.196 5.583 1.00 0.00 H new ATOM 29 N ASN A 3 4.813 -12.466 7.535 1.00 0.00 N ATOM 30 CA ASN A 3 3.639 -13.205 7.088 1.00 0.00 C ATOM 31 C ASN A 3 3.096 -12.338 5.966 1.00 0.00 C ATOM 32 O ASN A 3 2.599 -11.256 6.238 1.00 0.00 O ATOM 33 CB ASN A 3 2.617 -13.362 8.227 1.00 0.00 C ATOM 34 CG ASN A 3 1.370 -14.142 7.803 1.00 0.00 C ATOM 35 OD1 ASN A 3 0.905 -14.085 6.668 1.00 0.00 O ATOM 36 ND2 ASN A 3 0.792 -14.911 8.711 1.00 0.00 N ATOM 0 H ASN A 3 4.717 -11.463 7.379 1.00 0.00 H new ATOM 0 HA ASN A 3 3.865 -14.222 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.091 -13.872 9.066 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.320 -12.375 8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.037 -15.454 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.175 -14.961 9.655 1.00 0.00 H new ATOM 42 N LEU A 4 3.365 -12.680 4.715 1.00 0.00 N ATOM 43 CA LEU A 4 3.172 -11.773 3.593 1.00 0.00 C ATOM 44 C LEU A 4 1.695 -11.702 3.191 1.00 0.00 C ATOM 45 O LEU A 4 1.187 -12.575 2.485 1.00 0.00 O ATOM 46 CB LEU A 4 4.077 -12.225 2.452 1.00 0.00 C ATOM 47 CG LEU A 4 4.184 -11.180 1.339 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.041 -10.001 1.830 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.784 -11.884 0.123 1.00 0.00 C ATOM 0 H LEU A 4 3.724 -13.597 4.448 1.00 0.00 H new ATOM 0 HA LEU A 4 3.449 -10.756 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.072 -12.437 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.693 -13.156 2.036 1.00 0.00 H new ATOM 0 HG LEU A 4 3.215 -10.765 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.120 -9.254 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.575 -9.553 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.037 -10.359 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.879 -11.174 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.768 -12.277 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.134 -12.704 -0.180 1.00 0.00 H new ATOM 60 N LYS A 5 0.972 -10.696 3.682 1.00 0.00 N ATOM 61 CA LYS A 5 -0.482 -10.615 3.546 1.00 0.00 C ATOM 62 C LYS A 5 -1.006 -9.205 3.739 1.00 0.00 C ATOM 63 O LYS A 5 -0.299 -8.203 3.627 1.00 0.00 O ATOM 64 CB LYS A 5 -1.166 -11.648 4.473 1.00 0.00 C ATOM 65 CG LYS A 5 -1.073 -11.359 5.980 1.00 0.00 C ATOM 66 CD LYS A 5 -2.178 -11.948 6.876 1.00 0.00 C ATOM 67 CE LYS A 5 -3.046 -13.082 6.305 1.00 0.00 C ATOM 68 NZ LYS A 5 -4.485 -12.734 6.349 1.00 0.00 N ATOM 0 H LYS A 5 1.381 -9.910 4.188 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.741 -10.874 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.219 -11.713 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.726 -12.627 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.113 -11.732 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.066 -10.278 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.707 -12.315 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.842 -11.133 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.750 -13.286 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.873 -13.996 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.000 -13.294 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.863 -12.941 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.604 -11.722 6.143 1.00 0.00 H new ATOM 78 N LEU A 6 -2.295 -9.137 4.021 1.00 0.00 N ATOM 79 CA LEU A 6 -3.047 -8.031 4.533 1.00 0.00 C ATOM 80 C LEU A 6 -3.841 -8.588 5.709 1.00 0.00 C ATOM 81 O LEU A 6 -4.287 -9.740 5.667 1.00 0.00 O ATOM 82 CB LEU A 6 -3.986 -7.433 3.478 1.00 0.00 C ATOM 83 CG LEU A 6 -4.025 -8.060 2.077 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.882 -9.339 2.122 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.523 -7.119 0.990 1.00 0.00 C ATOM 0 H LEU A 6 -2.895 -9.950 3.877 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.386 -7.217 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.998 -7.465 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.723 -6.382 3.361 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.996 -8.295 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.915 -9.790 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.445 -10.045 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.894 -9.088 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.521 -7.637 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.537 -6.796 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.869 -6.249 0.934 1.00 0.00 H new ATOM 96 N ASP A 7 -4.010 -7.768 6.740 1.00 0.00 N ATOM 97 CA ASP A 7 -4.786 -8.078 7.940 1.00 0.00 C ATOM 98 C ASP A 7 -6.225 -7.619 7.749 1.00 0.00 C ATOM 99 O ASP A 7 -7.162 -8.345 8.076 1.00 0.00 O ATOM 100 CB ASP A 7 -4.200 -7.329 9.154 1.00 0.00 C ATOM 101 CG ASP A 7 -3.801 -8.236 10.328 1.00 0.00 C ATOM 102 OD1 ASP A 7 -4.062 -9.461 10.324 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.266 -7.714 11.340 1.00 0.00 O ATOM 0 H ASP A 7 -3.597 -6.836 6.766 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.749 -9.154 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.324 -6.768 8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.932 -6.602 9.505 1.00 0.00 H new ATOM 107 N ILE A 8 -6.352 -6.418 7.176 1.00 0.00 N ATOM 108 CA ILE A 8 -7.562 -5.697 6.818 1.00 0.00 C ATOM 109 C ILE A 8 -8.486 -5.391 8.004 1.00 0.00 C ATOM 110 O ILE A 8 -9.014 -6.255 8.700 1.00 0.00 O ATOM 111 CB ILE A 8 -8.261 -6.380 5.630 1.00 0.00 C ATOM 112 CG1 ILE A 8 -7.454 -6.132 4.343 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.657 -5.796 5.404 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.806 -7.165 3.274 1.00 0.00 C ATOM 0 H ILE A 8 -5.522 -5.879 6.930 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.261 -4.703 6.486 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.332 -7.443 5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.659 -5.129 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.387 -6.178 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.128 -6.297 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.263 -5.945 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.576 -4.729 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.224 -6.970 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.577 -8.164 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.869 -7.099 3.040 1.00 0.00 H new ATOM 125 N VAL A 9 -8.756 -4.099 8.155 1.00 0.00 N ATOM 126 CA VAL A 9 -9.668 -3.503 9.100 1.00 0.00 C ATOM 127 C VAL A 9 -10.479 -2.474 8.322 1.00 0.00 C ATOM 128 O VAL A 9 -10.174 -1.284 8.311 1.00 0.00 O ATOM 129 CB VAL A 9 -8.921 -3.022 10.365 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.941 -2.586 11.425 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.034 -4.129 10.968 1.00 0.00 C ATOM 0 H VAL A 9 -8.304 -3.395 7.571 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.384 -4.206 9.526 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.282 -2.190 10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.416 -2.247 12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.550 -1.772 11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.583 -3.429 11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.528 -3.747 11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.654 -4.982 11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.292 -4.441 10.233 1.00 0.00 H new ATOM 141 N GLU A 10 -11.500 -2.961 7.605 1.00 0.00 N ATOM 142 CA GLU A 10 -12.483 -2.095 6.983 1.00 0.00 C ATOM 143 C GLU A 10 -13.094 -1.272 8.110 1.00 0.00 C ATOM 144 O GLU A 10 -13.563 -1.816 9.115 1.00 0.00 O ATOM 145 CB GLU A 10 -13.526 -2.849 6.142 1.00 0.00 C ATOM 146 CG GLU A 10 -12.999 -3.199 4.733 1.00 0.00 C ATOM 147 CD GLU A 10 -14.100 -3.361 3.667 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.238 -3.745 4.010 1.00 0.00 O ATOM 149 OE2 GLU A 10 -13.834 -3.031 2.487 1.00 0.00 O ATOM 0 H GLU A 10 -11.658 -3.956 7.447 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.007 -1.447 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.813 -3.765 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.425 -2.240 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.310 -2.418 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.427 -4.125 4.791 1.00 0.00 H new ATOM 154 N GLN A 11 -12.929 0.043 8.005 1.00 0.00 N ATOM 155 CA GLN A 11 -13.339 1.028 8.976 1.00 0.00 C ATOM 156 C GLN A 11 -14.604 1.734 8.486 1.00 0.00 C ATOM 157 O GLN A 11 -15.308 1.216 7.621 1.00 0.00 O ATOM 158 CB GLN A 11 -12.178 1.958 9.396 1.00 0.00 C ATOM 159 CG GLN A 11 -11.735 1.704 10.843 1.00 0.00 C ATOM 160 CD GLN A 11 -12.892 1.757 11.837 1.00 0.00 C ATOM 161 OE1 GLN A 11 -13.496 0.730 12.148 1.00 0.00 O ATOM 162 NE2 GLN A 11 -13.241 2.926 12.331 1.00 0.00 N ATOM 0 H GLN A 11 -12.480 0.464 7.192 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.608 0.535 9.910 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.332 1.807 8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.489 2.997 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.255 0.728 10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.987 2.445 11.124 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.729 3.766 12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.023 2.991 12.983 1.00 0.00 H new ATOM 169 N ASP A 12 -14.932 2.894 9.057 1.00 0.00 N ATOM 170 CA ASP A 12 -16.285 3.457 9.013 1.00 0.00 C ATOM 171 C ASP A 12 -16.722 3.686 7.569 1.00 0.00 C ATOM 172 O ASP A 12 -17.737 3.156 7.117 1.00 0.00 O ATOM 173 CB ASP A 12 -16.286 4.778 9.782 1.00 0.00 C ATOM 174 CG ASP A 12 -17.685 5.253 10.197 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.698 4.935 9.531 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.752 6.028 11.176 1.00 0.00 O ATOM 0 H ASP A 12 -14.264 3.473 9.566 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.988 2.760 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.670 4.668 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.820 5.547 9.166 1.00 0.00 H new ATOM 180 N ASP A 13 -15.875 4.400 6.821 1.00 0.00 N ATOM 181 CA ASP A 13 -16.010 4.614 5.379 1.00 0.00 C ATOM 182 C ASP A 13 -14.658 4.411 4.673 1.00 0.00 C ATOM 183 O ASP A 13 -14.484 4.737 3.502 1.00 0.00 O ATOM 184 CB ASP A 13 -16.623 5.987 5.063 1.00 0.00 C ATOM 185 CG ASP A 13 -17.178 6.043 3.632 1.00 0.00 C ATOM 186 OD1 ASP A 13 -18.164 5.334 3.330 1.00 0.00 O ATOM 187 OD2 ASP A 13 -16.592 6.743 2.770 1.00 0.00 O ATOM 0 H ASP A 13 -15.053 4.858 7.215 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.703 3.868 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.422 6.201 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.867 6.762 5.191 1.00 0.00 H new ATOM 191 N LYS A 14 -13.651 3.899 5.389 1.00 0.00 N ATOM 192 CA LYS A 14 -12.252 3.846 4.970 1.00 0.00 C ATOM 193 C LYS A 14 -11.714 2.461 5.226 1.00 0.00 C ATOM 194 O LYS A 14 -11.978 1.921 6.293 1.00 0.00 O ATOM 195 CB LYS A 14 -11.465 4.936 5.717 1.00 0.00 C ATOM 196 CG LYS A 14 -11.539 4.863 7.264 1.00 0.00 C ATOM 197 CD LYS A 14 -11.226 6.187 7.982 1.00 0.00 C ATOM 198 CE LYS A 14 -9.749 6.531 7.827 1.00 0.00 C ATOM 199 NZ LYS A 14 -9.338 7.779 8.518 1.00 0.00 N ATOM 0 H LYS A 14 -13.798 3.494 6.314 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.151 4.043 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.419 4.876 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.834 5.911 5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.538 4.536 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.841 4.102 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.839 6.988 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.479 6.105 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.153 5.703 8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.519 6.624 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.322 7.942 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.879 8.581 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.524 7.689 9.537 1.00 0.00 H new ATOM 209 N ALA A 15 -11.022 1.862 4.273 1.00 0.00 N ATOM 210 CA ALA A 15 -10.488 0.518 4.426 1.00 0.00 C ATOM 211 C ALA A 15 -9.074 0.635 4.967 1.00 0.00 C ATOM 212 O ALA A 15 -8.205 1.144 4.255 1.00 0.00 O ATOM 213 CB ALA A 15 -10.528 -0.232 3.092 1.00 0.00 C ATOM 0 H ALA A 15 -10.814 2.292 3.372 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.094 -0.058 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.124 -1.236 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.558 -0.299 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.930 0.304 2.355 1.00 0.00 H new ATOM 219 N ILE A 16 -8.829 0.218 6.215 1.00 0.00 N ATOM 220 CA ILE A 16 -7.453 0.090 6.681 1.00 0.00 C ATOM 221 C ILE A 16 -6.940 -1.265 6.193 1.00 0.00 C ATOM 222 O ILE A 16 -7.230 -2.302 6.786 1.00 0.00 O ATOM 223 CB ILE A 16 -7.366 0.250 8.208 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.965 1.588 8.690 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.910 0.076 8.666 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.312 1.525 10.178 1.00 0.00 C ATOM 0 H ILE A 16 -9.545 -0.029 6.899 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.824 0.883 6.277 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.971 -0.531 8.668 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.254 2.395 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.860 1.819 8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.853 0.190 9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.557 -0.917 8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.286 0.831 8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.732 2.480 10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.041 0.733 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.410 1.317 10.754 1.00 0.00 H new ATOM 237 N VAL A 17 -6.193 -1.315 5.104 1.00 0.00 N ATOM 238 CA VAL A 17 -5.391 -2.479 4.760 1.00 0.00 C ATOM 239 C VAL A 17 -4.120 -2.330 5.576 1.00 0.00 C ATOM 240 O VAL A 17 -3.178 -1.638 5.190 1.00 0.00 O ATOM 241 CB VAL A 17 -5.132 -2.531 3.242 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.459 -3.865 2.864 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.426 -2.302 2.444 1.00 0.00 C ATOM 0 H VAL A 17 -6.124 -0.550 4.432 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.887 -3.422 4.990 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.452 -1.721 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.281 -3.891 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.510 -3.956 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.110 -4.693 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.208 -2.345 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.151 -3.075 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.837 -1.323 2.691 1.00 0.00 H new ATOM 253 N ARG A 18 -4.084 -2.946 6.756 1.00 0.00 N ATOM 254 CA ARG A 18 -2.769 -3.144 7.349 1.00 0.00 C ATOM 255 C ARG A 18 -2.072 -4.185 6.492 1.00 0.00 C ATOM 256 O ARG A 18 -2.600 -5.298 6.386 1.00 0.00 O ATOM 257 CB ARG A 18 -2.820 -3.564 8.813 1.00 0.00 C ATOM 258 CG ARG A 18 -3.645 -2.540 9.594 1.00 0.00 C ATOM 259 CD ARG A 18 -3.314 -2.527 11.078 1.00 0.00 C ATOM 260 NE ARG A 18 -2.817 -1.206 11.497 1.00 0.00 N ATOM 261 CZ ARG A 18 -3.533 -0.229 12.061 1.00 0.00 C ATOM 262 NH1 ARG A 18 -4.790 -0.439 12.433 1.00 0.00 N ATOM 263 NH2 ARG A 18 -3.009 0.975 12.238 1.00 0.00 N ATOM 0 H ARG A 18 -4.884 -3.292 7.285 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.223 -2.201 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.264 -4.555 8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.812 -3.627 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.471 -1.547 9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.705 -2.759 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.202 -2.785 11.655 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.563 -3.287 11.293 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.827 -1.018 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.218 -1.353 12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.327 0.314 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.051 1.163 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.564 1.714 12.670 1.00 0.00 H new ATOM 274 N VAL A 19 -0.973 -3.841 5.824 1.00 0.00 N ATOM 275 CA VAL A 19 -0.174 -4.845 5.141 1.00 0.00 C ATOM 276 C VAL A 19 0.425 -5.777 6.198 1.00 0.00 C ATOM 277 O VAL A 19 0.528 -5.403 7.373 1.00 0.00 O ATOM 278 CB VAL A 19 0.913 -4.078 4.364 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.134 -3.819 5.235 1.00 0.00 C ATOM 280 CG2 VAL A 19 1.469 -4.751 3.099 1.00 0.00 C ATOM 0 H VAL A 19 -0.622 -2.887 5.744 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.752 -5.457 4.449 1.00 0.00 H new ATOM 0 HB VAL A 19 0.374 -3.178 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.883 -3.276 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.843 -3.226 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.551 -4.769 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.225 -4.109 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.918 -5.709 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.659 -4.914 2.388 1.00 0.00 H new ATOM 290 N GLN A 20 0.955 -6.912 5.763 1.00 0.00 N ATOM 291 CA GLN A 20 1.972 -7.655 6.479 1.00 0.00 C ATOM 292 C GLN A 20 3.084 -8.070 5.510 1.00 0.00 C ATOM 293 O GLN A 20 2.780 -8.533 4.412 1.00 0.00 O ATOM 294 CB GLN A 20 1.337 -8.847 7.190 1.00 0.00 C ATOM 295 CG GLN A 20 0.200 -8.419 8.118 1.00 0.00 C ATOM 296 CD GLN A 20 -0.118 -9.439 9.205 1.00 0.00 C ATOM 297 OE1 GLN A 20 -0.226 -10.638 8.986 1.00 0.00 O ATOM 298 NE2 GLN A 20 -0.310 -8.972 10.422 1.00 0.00 N ATOM 0 H GLN A 20 0.681 -7.348 4.883 1.00 0.00 H new ATOM 0 HA GLN A 20 2.428 -7.029 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.956 -9.550 6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.098 -9.373 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.463 -7.471 8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.696 -8.243 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.220 -7.973 10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.549 -9.610 11.181 1.00 0.00 H new ATOM 305 N GLY A 21 4.352 -7.933 5.919 1.00 0.00 N ATOM 306 CA GLY A 21 5.506 -8.561 5.286 1.00 0.00 C ATOM 307 C GLY A 21 6.296 -7.639 4.355 1.00 0.00 C ATOM 308 O GLY A 21 5.724 -6.847 3.608 1.00 0.00 O ATOM 0 H GLY A 21 4.605 -7.363 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.174 -8.932 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.167 -9.427 4.718 1.00 0.00 H new ATOM 312 N ASP A 22 7.625 -7.788 4.380 1.00 0.00 N ATOM 313 CA ASP A 22 8.611 -7.116 3.544 1.00 0.00 C ATOM 314 C ASP A 22 8.274 -7.319 2.078 1.00 0.00 C ATOM 315 O ASP A 22 7.947 -8.430 1.649 1.00 0.00 O ATOM 316 CB ASP A 22 10.024 -7.664 3.804 1.00 0.00 C ATOM 317 CG ASP A 22 10.591 -7.218 5.143 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.510 -6.007 5.425 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.123 -8.070 5.886 1.00 0.00 O ATOM 0 H ASP A 22 8.067 -8.431 5.037 1.00 0.00 H new ATOM 0 HA ASP A 22 8.589 -6.055 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.998 -8.753 3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.689 -7.336 3.005 1.00 0.00 H new ATOM 323 N ILE A 23 8.378 -6.239 1.309 1.00 0.00 N ATOM 324 CA ILE A 23 7.888 -6.186 -0.055 1.00 0.00 C ATOM 325 C ILE A 23 9.039 -6.481 -1.012 1.00 0.00 C ATOM 326 O ILE A 23 9.992 -5.712 -1.132 1.00 0.00 O ATOM 327 CB ILE A 23 7.149 -4.848 -0.273 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.540 -4.713 -1.679 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.020 -3.611 -0.076 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.369 -3.721 -1.618 1.00 0.00 C ATOM 0 H ILE A 23 8.810 -5.370 1.623 1.00 0.00 H new ATOM 0 HA ILE A 23 7.146 -6.956 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 23 6.373 -4.886 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.294 -4.364 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.194 -5.683 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.424 -2.715 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.409 -3.598 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.851 -3.635 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.929 -3.617 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.615 -4.091 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.731 -2.751 -1.278 1.00 0.00 H new ATOM 341 N ASP A 24 8.949 -7.578 -1.749 1.00 0.00 N ATOM 342 CA ASP A 24 9.947 -7.997 -2.727 1.00 0.00 C ATOM 343 C ASP A 24 9.266 -8.429 -4.020 1.00 0.00 C ATOM 344 O ASP A 24 8.133 -8.022 -4.268 1.00 0.00 O ATOM 345 CB ASP A 24 10.857 -9.080 -2.144 1.00 0.00 C ATOM 346 CG ASP A 24 10.126 -10.372 -1.778 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.135 -10.710 -2.452 1.00 0.00 O ATOM 348 OD2 ASP A 24 10.541 -11.023 -0.795 1.00 0.00 O ATOM 0 H ASP A 24 8.159 -8.220 -1.683 1.00 0.00 H new ATOM 0 HA ASP A 24 10.591 -7.152 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.641 -9.310 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.348 -8.687 -1.254 1.00 0.00 H new ATOM 352 N ALA A 25 9.971 -9.173 -4.874 1.00 0.00 N ATOM 353 CA ALA A 25 9.491 -9.665 -6.151 1.00 0.00 C ATOM 354 C ALA A 25 8.370 -10.701 -6.022 1.00 0.00 C ATOM 355 O ALA A 25 7.490 -10.699 -6.880 1.00 0.00 O ATOM 356 CB ALA A 25 10.676 -10.252 -6.909 1.00 0.00 C ATOM 0 H ALA A 25 10.931 -9.457 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 25 9.054 -8.827 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.339 -10.629 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.428 -9.478 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.109 -11.069 -6.331 1.00 0.00 H new ATOM 362 N TYR A 26 8.342 -11.533 -4.976 1.00 0.00 N ATOM 363 CA TYR A 26 7.213 -12.424 -4.721 1.00 0.00 C ATOM 364 C TYR A 26 5.986 -11.556 -4.451 1.00 0.00 C ATOM 365 O TYR A 26 4.922 -11.763 -5.037 1.00 0.00 O ATOM 366 CB TYR A 26 7.475 -13.351 -3.517 1.00 0.00 C ATOM 367 CG TYR A 26 8.586 -14.374 -3.685 1.00 0.00 C ATOM 368 CD1 TYR A 26 9.920 -14.039 -3.386 1.00 0.00 C ATOM 369 CD2 TYR A 26 8.282 -15.679 -4.111 1.00 0.00 C ATOM 370 CE1 TYR A 26 10.944 -14.992 -3.551 1.00 0.00 C ATOM 371 CE2 TYR A 26 9.299 -16.639 -4.269 1.00 0.00 C ATOM 372 CZ TYR A 26 10.639 -16.299 -3.991 1.00 0.00 C ATOM 373 OH TYR A 26 11.625 -17.230 -4.129 1.00 0.00 O ATOM 0 H TYR A 26 9.094 -11.606 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 26 7.058 -13.064 -5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.709 -12.731 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.552 -13.883 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.159 -13.048 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.257 -15.948 -4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.968 -14.722 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.053 -17.636 -4.603 1.00 0.00 H new ATOM 0 HH TYR A 26 11.237 -18.074 -4.440 1.00 0.00 H new ATOM 382 N ASN A 27 6.142 -10.518 -3.621 1.00 0.00 N ATOM 383 CA ASN A 27 5.030 -9.690 -3.204 1.00 0.00 C ATOM 384 C ASN A 27 4.684 -8.716 -4.318 1.00 0.00 C ATOM 385 O ASN A 27 3.596 -8.150 -4.337 1.00 0.00 O ATOM 386 CB ASN A 27 5.381 -8.951 -1.910 1.00 0.00 C ATOM 387 CG ASN A 27 4.134 -8.531 -1.140 1.00 0.00 C ATOM 388 OD1 ASN A 27 3.082 -9.149 -1.262 1.00 0.00 O ATOM 389 ND2 ASN A 27 4.223 -7.523 -0.286 1.00 0.00 N ATOM 0 H ASN A 27 7.041 -10.239 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 27 4.159 -10.314 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.997 -9.593 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.977 -8.069 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.414 -7.257 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.101 -7.013 -0.189 1.00 0.00 H new ATOM 395 N SER A 28 5.598 -8.547 -5.278 1.00 0.00 N ATOM 396 CA SER A 28 5.431 -7.663 -6.387 1.00 0.00 C ATOM 397 C SER A 28 4.292 -8.134 -7.289 1.00 0.00 C ATOM 398 O SER A 28 3.775 -7.324 -8.052 1.00 0.00 O ATOM 399 CB SER A 28 6.730 -7.449 -7.174 1.00 0.00 C ATOM 400 OG SER A 28 6.598 -6.369 -8.080 1.00 0.00 O ATOM 0 H SER A 28 6.489 -9.043 -5.286 1.00 0.00 H new ATOM 0 HA SER A 28 5.161 -6.688 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.550 -7.252 -6.484 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.984 -8.358 -7.719 1.00 0.00 H new ATOM 0 HG SER A 28 6.260 -5.582 -7.604 1.00 0.00 H new ATOM 405 N SER A 29 3.860 -9.395 -7.201 1.00 0.00 N ATOM 406 CA SER A 29 2.612 -9.813 -7.814 1.00 0.00 C ATOM 407 C SER A 29 1.611 -10.262 -6.747 1.00 0.00 C ATOM 408 O SER A 29 0.412 -10.183 -7.020 1.00 0.00 O ATOM 409 CB SER A 29 2.879 -10.842 -8.917 1.00 0.00 C ATOM 410 OG SER A 29 3.254 -12.093 -8.389 1.00 0.00 O ATOM 0 H SER A 29 4.360 -10.137 -6.711 1.00 0.00 H new ATOM 0 HA SER A 29 2.138 -8.968 -8.313 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.984 -10.959 -9.528 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.667 -10.474 -9.574 1.00 0.00 H new ATOM 0 HG SER A 29 3.414 -12.723 -9.122 1.00 0.00 H new ATOM 415 N GLU A 30 2.065 -10.669 -5.549 1.00 0.00 N ATOM 416 CA GLU A 30 1.171 -11.073 -4.469 1.00 0.00 C ATOM 417 C GLU A 30 0.381 -9.886 -3.929 1.00 0.00 C ATOM 418 O GLU A 30 -0.819 -9.863 -4.143 1.00 0.00 O ATOM 419 CB GLU A 30 1.864 -11.867 -3.344 1.00 0.00 C ATOM 420 CG GLU A 30 1.128 -13.206 -3.196 1.00 0.00 C ATOM 421 CD GLU A 30 1.519 -13.973 -1.938 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.636 -14.542 -1.896 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.674 -14.020 -1.014 1.00 0.00 O ATOM 0 H GLU A 30 3.055 -10.724 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 30 0.465 -11.774 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.914 -12.032 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.835 -11.309 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.054 -13.023 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.334 -13.825 -4.069 1.00 0.00 H new ATOM 428 N LEU A 31 0.991 -8.891 -3.269 1.00 0.00 N ATOM 429 CA LEU A 31 0.318 -7.690 -2.771 1.00 0.00 C ATOM 430 C LEU A 31 -0.565 -7.082 -3.844 1.00 0.00 C ATOM 431 O LEU A 31 -1.706 -6.701 -3.592 1.00 0.00 O ATOM 432 CB LEU A 31 1.370 -6.644 -2.352 1.00 0.00 C ATOM 433 CG LEU A 31 0.790 -5.291 -1.914 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.038 -5.504 -0.649 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.930 -4.302 -1.651 1.00 0.00 C ATOM 0 H LEU A 31 1.990 -8.903 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.298 -7.975 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.962 -7.052 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.051 -6.479 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 31 0.154 -4.880 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.458 -4.552 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.847 -6.205 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.598 -5.908 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.515 -3.343 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.575 -4.691 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.512 -4.167 -2.562 1.00 0.00 H new ATOM 446 N LYS A 32 -0.013 -7.005 -5.051 1.00 0.00 N ATOM 447 CA LYS A 32 -0.674 -6.510 -6.232 1.00 0.00 C ATOM 448 C LYS A 32 -2.014 -7.239 -6.391 1.00 0.00 C ATOM 449 O LYS A 32 -3.040 -6.570 -6.483 1.00 0.00 O ATOM 450 CB LYS A 32 0.326 -6.757 -7.383 1.00 0.00 C ATOM 451 CG LYS A 32 -0.053 -6.011 -8.664 1.00 0.00 C ATOM 452 CD LYS A 32 0.789 -6.486 -9.858 1.00 0.00 C ATOM 453 CE LYS A 32 2.166 -5.811 -9.916 1.00 0.00 C ATOM 454 NZ LYS A 32 3.164 -6.614 -10.658 1.00 0.00 N ATOM 0 H LYS A 32 0.947 -7.300 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.926 -5.450 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.322 -6.446 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.377 -7.826 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.111 -6.166 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.090 -4.940 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.921 -7.566 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.249 -6.281 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.068 -4.834 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.525 -5.639 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.763 -5.983 -11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.757 -7.140 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.674 -7.284 -11.284 1.00 0.00 H new ATOM 464 N GLU A 33 -2.014 -8.576 -6.366 1.00 0.00 N ATOM 465 CA GLU A 33 -3.191 -9.440 -6.386 1.00 0.00 C ATOM 466 C GLU A 33 -4.086 -9.198 -5.178 1.00 0.00 C ATOM 467 O GLU A 33 -5.281 -8.943 -5.343 1.00 0.00 O ATOM 468 CB GLU A 33 -2.778 -10.921 -6.392 1.00 0.00 C ATOM 469 CG GLU A 33 -3.001 -11.554 -7.750 1.00 0.00 C ATOM 470 CD GLU A 33 -2.581 -13.023 -7.705 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.273 -13.834 -7.041 1.00 0.00 O ATOM 472 OE2 GLU A 33 -1.541 -13.376 -8.308 1.00 0.00 O ATOM 0 H GLU A 33 -1.145 -9.109 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.742 -9.199 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.727 -11.008 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.350 -11.462 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.051 -11.474 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.426 -11.024 -8.509 1.00 0.00 H new ATOM 477 N GLN A 34 -3.516 -9.312 -3.974 1.00 0.00 N ATOM 478 CA GLN A 34 -4.238 -9.303 -2.713 1.00 0.00 C ATOM 479 C GLN A 34 -5.048 -8.006 -2.597 1.00 0.00 C ATOM 480 O GLN A 34 -6.097 -8.001 -1.954 1.00 0.00 O ATOM 481 CB GLN A 34 -3.292 -9.496 -1.500 1.00 0.00 C ATOM 482 CG GLN A 34 -2.412 -10.769 -1.475 1.00 0.00 C ATOM 483 CD GLN A 34 -2.079 -11.318 -0.072 1.00 0.00 C ATOM 484 OE1 GLN A 34 -2.871 -11.233 0.864 1.00 0.00 O ATOM 485 NE2 GLN A 34 -0.898 -11.897 0.123 1.00 0.00 N ATOM 0 H GLN A 34 -2.508 -9.416 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.924 -10.150 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.632 -8.630 -1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.900 -9.490 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.918 -11.551 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.478 -10.554 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.234 -11.973 -0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.656 -12.266 1.043 1.00 0.00 H new ATOM 492 N LEU A 35 -4.600 -6.925 -3.249 1.00 0.00 N ATOM 493 CA LEU A 35 -5.256 -5.638 -3.271 1.00 0.00 C ATOM 494 C LEU A 35 -6.208 -5.522 -4.420 1.00 0.00 C ATOM 495 O LEU A 35 -7.267 -5.022 -4.140 1.00 0.00 O ATOM 496 CB LEU A 35 -4.253 -4.523 -3.480 1.00 0.00 C ATOM 497 CG LEU A 35 -3.354 -4.275 -2.263 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.232 -3.320 -2.643 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.137 -3.642 -1.107 1.00 0.00 C ATOM 0 H LEU A 35 -3.737 -6.937 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.772 -5.555 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.629 -4.763 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.788 -3.604 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.959 -5.240 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.594 -3.145 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.640 -3.756 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.657 -2.374 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.469 -3.480 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.553 -2.687 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.946 -4.308 -0.808 1.00 0.00 H new ATOM 510 N ARG A 36 -5.906 -5.855 -5.683 1.00 0.00 N ATOM 511 CA ARG A 36 -6.927 -5.698 -6.727 1.00 0.00 C ATOM 512 C ARG A 36 -8.157 -6.551 -6.444 1.00 0.00 C ATOM 513 O ARG A 36 -9.273 -6.137 -6.745 1.00 0.00 O ATOM 514 CB ARG A 36 -6.378 -6.007 -8.117 1.00 0.00 C ATOM 515 CG ARG A 36 -5.748 -7.400 -8.254 1.00 0.00 C ATOM 516 CD ARG A 36 -5.411 -7.726 -9.704 1.00 0.00 C ATOM 517 NE ARG A 36 -4.537 -6.687 -10.257 1.00 0.00 N ATOM 518 CZ ARG A 36 -4.036 -6.639 -11.487 1.00 0.00 C ATOM 519 NH1 ARG A 36 -4.214 -7.644 -12.340 1.00 0.00 N ATOM 520 NH2 ARG A 36 -3.350 -5.557 -11.823 1.00 0.00 N ATOM 0 H ARG A 36 -5.006 -6.218 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.225 -4.650 -6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.186 -5.914 -8.843 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.631 -5.257 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.842 -7.451 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.435 -8.150 -7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.919 -8.697 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.326 -7.796 -10.293 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.287 -5.920 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.742 -8.468 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.822 -7.590 -13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.224 -4.803 -11.148 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.948 -5.478 -12.757 1.00 0.00 H new ATOM 531 N ASN A 37 -7.948 -7.718 -5.832 1.00 0.00 N ATOM 532 CA ASN A 37 -8.997 -8.667 -5.526 1.00 0.00 C ATOM 533 C ASN A 37 -9.898 -8.005 -4.492 1.00 0.00 C ATOM 534 O ASN A 37 -11.111 -7.890 -4.666 1.00 0.00 O ATOM 535 CB ASN A 37 -8.359 -9.976 -5.011 1.00 0.00 C ATOM 536 CG ASN A 37 -9.362 -11.120 -4.907 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.483 -10.949 -4.439 1.00 0.00 O ATOM 538 ND2 ASN A 37 -8.981 -12.313 -5.333 1.00 0.00 N ATOM 0 H ASN A 37 -7.023 -8.027 -5.533 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.593 -8.932 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.549 -10.268 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.915 -9.798 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.622 -13.104 -5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.046 -12.442 -5.720 1.00 0.00 H new ATOM 544 N PHE A 38 -9.247 -7.459 -3.463 1.00 0.00 N ATOM 545 CA PHE A 38 -9.875 -6.684 -2.425 1.00 0.00 C ATOM 546 C PHE A 38 -10.543 -5.440 -2.994 1.00 0.00 C ATOM 547 O PHE A 38 -11.672 -5.163 -2.632 1.00 0.00 O ATOM 548 CB PHE A 38 -8.829 -6.327 -1.372 1.00 0.00 C ATOM 549 CG PHE A 38 -9.083 -5.038 -0.618 1.00 0.00 C ATOM 550 CD1 PHE A 38 -9.852 -4.986 0.567 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.480 -3.870 -1.117 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.008 -3.753 1.239 1.00 0.00 C ATOM 553 CE2 PHE A 38 -8.661 -2.651 -0.465 1.00 0.00 C ATOM 554 CZ PHE A 38 -9.420 -2.598 0.705 1.00 0.00 C ATOM 0 H PHE A 38 -8.239 -7.555 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.662 -7.275 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.768 -7.144 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.856 -6.258 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.316 -5.881 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.874 -3.917 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.576 -3.701 2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.216 -1.751 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.557 -1.652 1.207 1.00 0.00 H new ATOM 563 N ILE A 39 -9.871 -4.671 -3.852 1.00 0.00 N ATOM 564 CA ILE A 39 -10.369 -3.417 -4.408 1.00 0.00 C ATOM 565 C ILE A 39 -11.702 -3.615 -5.139 1.00 0.00 C ATOM 566 O ILE A 39 -12.531 -2.702 -5.159 1.00 0.00 O ATOM 567 CB ILE A 39 -9.255 -2.818 -5.292 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.421 -1.812 -4.467 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.707 -2.189 -6.614 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.013 -1.577 -5.017 1.00 0.00 C ATOM 0 H ILE A 39 -8.939 -4.913 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.599 -2.705 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.651 -3.671 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.950 -0.860 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.344 -2.173 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.839 -1.802 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.203 -2.943 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.401 -1.373 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.490 -0.859 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.464 -2.519 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.080 -1.185 -6.032 1.00 0.00 H new ATOM 581 N SER A 40 -11.900 -4.796 -5.725 1.00 0.00 N ATOM 582 CA SER A 40 -13.151 -5.236 -6.303 1.00 0.00 C ATOM 583 C SER A 40 -14.220 -5.287 -5.193 1.00 0.00 C ATOM 584 O SER A 40 -15.231 -4.588 -5.267 1.00 0.00 O ATOM 585 CB SER A 40 -12.872 -6.586 -6.989 1.00 0.00 C ATOM 586 OG SER A 40 -13.430 -6.656 -8.286 1.00 0.00 O ATOM 0 H SER A 40 -11.159 -5.492 -5.809 1.00 0.00 H new ATOM 0 HA SER A 40 -13.546 -4.557 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.795 -6.744 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.278 -7.392 -6.378 1.00 0.00 H new ATOM 0 HG SER A 40 -13.227 -7.529 -8.683 1.00 0.00 H new ATOM 591 N THR A 41 -13.965 -6.060 -4.136 1.00 0.00 N ATOM 592 CA THR A 41 -14.846 -6.270 -2.993 1.00 0.00 C ATOM 593 C THR A 41 -15.072 -5.013 -2.136 1.00 0.00 C ATOM 594 O THR A 41 -16.142 -4.904 -1.528 1.00 0.00 O ATOM 595 CB THR A 41 -14.220 -7.426 -2.187 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.652 -8.651 -2.755 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.519 -7.460 -0.680 1.00 0.00 C ATOM 0 H THR A 41 -13.093 -6.582 -4.053 1.00 0.00 H new ATOM 0 HA THR A 41 -15.850 -6.516 -3.338 1.00 0.00 H new ATOM 0 HB THR A 41 -13.144 -7.264 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.262 -9.399 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.022 -8.319 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.153 -6.544 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.595 -7.541 -0.524 1.00 0.00 H new ATOM 605 N THR A 42 -14.075 -4.139 -1.966 1.00 0.00 N ATOM 606 CA THR A 42 -13.989 -3.307 -0.770 1.00 0.00 C ATOM 607 C THR A 42 -15.172 -2.349 -0.666 1.00 0.00 C ATOM 608 O THR A 42 -15.497 -1.567 -1.566 1.00 0.00 O ATOM 609 CB THR A 42 -12.609 -2.655 -0.622 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.523 -1.913 0.580 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.265 -1.680 -1.746 1.00 0.00 C ATOM 0 H THR A 42 -13.323 -3.992 -2.639 1.00 0.00 H new ATOM 0 HA THR A 42 -14.077 -3.952 0.104 1.00 0.00 H new ATOM 0 HB THR A 42 -11.912 -3.493 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.211 -2.222 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.275 -1.259 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.273 -2.207 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.001 -0.877 -1.769 1.00 0.00 H new ATOM 619 N SER A 43 -15.840 -2.440 0.474 1.00 0.00 N ATOM 620 CA SER A 43 -17.030 -1.689 0.805 1.00 0.00 C ATOM 621 C SER A 43 -16.702 -0.276 1.285 1.00 0.00 C ATOM 622 O SER A 43 -17.622 0.472 1.622 1.00 0.00 O ATOM 623 CB SER A 43 -17.770 -2.532 1.839 1.00 0.00 C ATOM 624 OG SER A 43 -18.393 -3.618 1.175 1.00 0.00 O ATOM 0 H SER A 43 -15.550 -3.069 1.223 1.00 0.00 H new ATOM 0 HA SER A 43 -17.662 -1.521 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.076 -2.899 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.515 -1.928 2.357 1.00 0.00 H new ATOM 0 HG SER A 43 -18.871 -4.170 1.828 1.00 0.00 H new ATOM 629 N LYS A 44 -15.430 0.132 1.272 1.00 0.00 N ATOM 630 CA LYS A 44 -14.924 1.428 1.693 1.00 0.00 C ATOM 631 C LYS A 44 -14.046 1.997 0.575 1.00 0.00 C ATOM 632 O LYS A 44 -13.339 1.246 -0.090 1.00 0.00 O ATOM 633 CB LYS A 44 -14.107 1.219 2.978 1.00 0.00 C ATOM 634 CG LYS A 44 -14.760 0.356 4.079 1.00 0.00 C ATOM 635 CD LYS A 44 -16.095 0.924 4.573 1.00 0.00 C ATOM 636 CE LYS A 44 -16.846 -0.086 5.449 1.00 0.00 C ATOM 637 NZ LYS A 44 -18.013 0.526 6.120 1.00 0.00 N ATOM 0 H LYS A 44 -14.682 -0.480 0.944 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.734 2.130 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.155 0.762 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.881 2.198 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.920 -0.652 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.074 0.271 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.915 1.837 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.714 1.197 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.178 -0.923 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.167 -0.491 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.277 -0.046 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.771 1.489 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.813 0.565 5.457 1.00 0.00 H new ATOM 647 N LYS A 45 -14.090 3.309 0.344 1.00 0.00 N ATOM 648 CA LYS A 45 -13.409 3.963 -0.772 1.00 0.00 C ATOM 649 C LYS A 45 -12.004 4.380 -0.379 1.00 0.00 C ATOM 650 O LYS A 45 -11.096 4.179 -1.181 1.00 0.00 O ATOM 651 CB LYS A 45 -14.266 5.123 -1.314 1.00 0.00 C ATOM 652 CG LYS A 45 -15.472 4.542 -2.082 1.00 0.00 C ATOM 653 CD LYS A 45 -16.761 5.377 -2.044 1.00 0.00 C ATOM 654 CE LYS A 45 -16.675 6.632 -2.911 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.972 7.331 -2.996 1.00 0.00 N ATOM 0 H LYS A 45 -14.608 3.957 0.937 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.292 3.254 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.610 5.752 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.670 5.756 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.182 4.405 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.691 3.553 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.597 4.764 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.972 5.665 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.925 7.307 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.343 6.359 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.872 8.177 -3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.682 6.696 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.277 7.614 -2.043 1.00 0.00 H new ATOM 665 N LYS A 46 -11.778 4.917 0.828 1.00 0.00 N ATOM 666 CA LYS A 46 -10.405 5.109 1.316 1.00 0.00 C ATOM 667 C LYS A 46 -9.686 3.787 1.322 1.00 0.00 C ATOM 668 O LYS A 46 -10.217 2.879 1.928 1.00 0.00 O ATOM 669 CB LYS A 46 -10.325 5.818 2.675 1.00 0.00 C ATOM 670 CG LYS A 46 -9.947 7.295 2.527 1.00 0.00 C ATOM 671 CD LYS A 46 -10.039 7.987 3.889 1.00 0.00 C ATOM 672 CE LYS A 46 -9.839 9.496 3.751 1.00 0.00 C ATOM 673 NZ LYS A 46 -9.772 10.138 5.074 1.00 0.00 N ATOM 0 H LYS A 46 -12.509 5.220 1.472 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.904 5.787 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.286 5.738 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.589 5.316 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.936 7.384 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.613 7.782 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.011 7.785 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.285 7.577 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.922 9.697 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.659 9.925 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.460 10.917 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.994 9.439 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.815 10.513 5.230 1.00 0.00 H new ATOM 683 N ILE A 47 -8.500 3.672 0.723 1.00 0.00 N ATOM 684 CA ILE A 47 -7.677 2.486 0.879 1.00 0.00 C ATOM 685 C ILE A 47 -6.399 2.964 1.558 1.00 0.00 C ATOM 686 O ILE A 47 -5.581 3.644 0.940 1.00 0.00 O ATOM 687 CB ILE A 47 -7.438 1.765 -0.464 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.679 1.622 -1.380 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.825 0.398 -0.150 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.900 0.880 -0.833 1.00 0.00 C ATOM 0 H ILE A 47 -8.093 4.391 0.125 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.166 1.726 1.489 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.766 2.392 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.999 2.624 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.363 1.116 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.642 -0.141 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.883 0.535 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.513 -0.175 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.685 0.863 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.620 -0.142 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.266 1.389 0.058 1.00 0.00 H new ATOM 701 N VAL A 48 -6.276 2.705 2.854 1.00 0.00 N ATOM 702 CA VAL A 48 -5.126 3.086 3.664 1.00 0.00 C ATOM 703 C VAL A 48 -4.217 1.877 3.770 1.00 0.00 C ATOM 704 O VAL A 48 -4.701 0.792 4.080 1.00 0.00 O ATOM 705 CB VAL A 48 -5.588 3.539 5.065 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.408 4.159 5.833 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.801 4.486 5.003 1.00 0.00 C ATOM 0 H VAL A 48 -6.993 2.211 3.385 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.594 3.919 3.205 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.927 2.658 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.743 4.476 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.614 3.420 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.030 5.021 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.088 4.776 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.539 5.376 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.636 3.977 4.521 1.00 0.00 H new ATOM 717 N LEU A 49 -2.919 2.068 3.538 1.00 0.00 N ATOM 718 CA LEU A 49 -1.923 1.014 3.580 1.00 0.00 C ATOM 719 C LEU A 49 -0.911 1.283 4.678 1.00 0.00 C ATOM 720 O LEU A 49 -0.063 2.144 4.534 1.00 0.00 O ATOM 721 CB LEU A 49 -1.263 0.824 2.209 1.00 0.00 C ATOM 722 CG LEU A 49 -1.779 -0.302 1.304 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.663 -1.686 1.962 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.176 0.012 0.780 1.00 0.00 C ATOM 0 H LEU A 49 -2.528 2.983 3.311 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.419 0.073 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.359 1.761 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.198 0.658 2.373 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.127 -0.353 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.042 -2.446 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.618 -1.893 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.247 -1.701 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.517 -0.803 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.862 0.127 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.149 0.937 0.204 1.00 0.00 H new ATOM 735 N ASP A 50 -1.021 0.573 5.791 1.00 0.00 N ATOM 736 CA ASP A 50 -0.075 0.597 6.909 1.00 0.00 C ATOM 737 C ASP A 50 1.172 -0.189 6.515 1.00 0.00 C ATOM 738 O ASP A 50 1.004 -1.366 6.215 1.00 0.00 O ATOM 739 CB ASP A 50 -0.731 -0.127 8.094 1.00 0.00 C ATOM 740 CG ASP A 50 -0.145 0.211 9.459 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.393 1.320 9.642 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.334 -0.606 10.388 1.00 0.00 O ATOM 0 H ASP A 50 -1.802 -0.063 5.951 1.00 0.00 H new ATOM 0 HA ASP A 50 0.187 1.624 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.795 0.112 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.647 -1.202 7.935 1.00 0.00 H new ATOM 746 N LEU A 51 2.391 0.370 6.496 1.00 0.00 N ATOM 747 CA LEU A 51 3.627 -0.328 6.167 1.00 0.00 C ATOM 748 C LEU A 51 4.463 -0.667 7.385 1.00 0.00 C ATOM 749 O LEU A 51 5.644 -0.986 7.270 1.00 0.00 O ATOM 750 CB LEU A 51 4.437 0.430 5.121 1.00 0.00 C ATOM 751 CG LEU A 51 3.746 0.569 3.761 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.880 -0.614 3.280 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.973 1.875 3.630 1.00 0.00 C ATOM 0 H LEU A 51 2.541 1.354 6.718 1.00 0.00 H new ATOM 0 HA LEU A 51 3.330 -1.282 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.660 1.426 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.391 -0.079 4.980 1.00 0.00 H new ATOM 0 HG LEU A 51 4.600 0.569 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.453 -0.379 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.498 -1.508 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.077 -0.791 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.503 1.923 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.205 1.923 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.657 2.716 3.746 1.00 0.00 H new ATOM 764 N SER A 52 3.845 -0.673 8.559 1.00 0.00 N ATOM 765 CA SER A 52 4.531 -0.999 9.797 1.00 0.00 C ATOM 766 C SER A 52 5.225 -2.378 9.718 1.00 0.00 C ATOM 767 O SER A 52 6.296 -2.573 10.303 1.00 0.00 O ATOM 768 CB SER A 52 3.510 -0.911 10.936 1.00 0.00 C ATOM 769 OG SER A 52 4.148 -0.832 12.194 1.00 0.00 O ATOM 0 H SER A 52 2.856 -0.452 8.677 1.00 0.00 H new ATOM 0 HA SER A 52 5.335 -0.287 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.876 -0.036 10.792 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.858 -1.784 10.911 1.00 0.00 H new ATOM 0 HG SER A 52 3.472 -0.775 12.901 1.00 0.00 H new ATOM 774 N SER A 53 4.652 -3.323 8.959 1.00 0.00 N ATOM 775 CA SER A 53 5.158 -4.685 8.792 1.00 0.00 C ATOM 776 C SER A 53 6.193 -4.792 7.651 1.00 0.00 C ATOM 777 O SER A 53 6.611 -5.904 7.334 1.00 0.00 O ATOM 778 CB SER A 53 3.963 -5.618 8.514 1.00 0.00 C ATOM 779 OG SER A 53 4.156 -6.944 8.981 1.00 0.00 O ATOM 0 H SER A 53 3.797 -3.151 8.430 1.00 0.00 H new ATOM 0 HA SER A 53 5.671 -4.977 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.072 -5.203 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.775 -5.644 7.441 1.00 0.00 H new ATOM 0 HG SER A 53 3.291 -7.334 9.224 1.00 0.00 H new ATOM 784 N VAL A 54 6.569 -3.693 6.984 1.00 0.00 N ATOM 785 CA VAL A 54 7.355 -3.720 5.752 1.00 0.00 C ATOM 786 C VAL A 54 8.669 -2.960 6.020 1.00 0.00 C ATOM 787 O VAL A 54 8.735 -1.735 5.895 1.00 0.00 O ATOM 788 CB VAL A 54 6.569 -3.133 4.560 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.168 -3.609 3.238 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.133 -3.605 4.491 1.00 0.00 C ATOM 0 H VAL A 54 6.331 -2.750 7.292 1.00 0.00 H new ATOM 0 HA VAL A 54 7.579 -4.749 5.470 1.00 0.00 H new ATOM 0 HB VAL A 54 6.620 -2.054 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.602 -3.186 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.206 -3.285 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.124 -4.697 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.642 -3.152 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.111 -4.690 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.610 -3.313 5.401 1.00 0.00 H new ATOM 800 N SER A 55 9.711 -3.655 6.459 1.00 0.00 N ATOM 801 CA SER A 55 11.007 -3.124 6.847 1.00 0.00 C ATOM 802 C SER A 55 12.013 -2.983 5.698 1.00 0.00 C ATOM 803 O SER A 55 12.989 -2.235 5.834 1.00 0.00 O ATOM 804 CB SER A 55 11.573 -4.112 7.852 1.00 0.00 C ATOM 805 OG SER A 55 11.116 -3.828 9.164 1.00 0.00 O ATOM 0 H SER A 55 9.668 -4.669 6.559 1.00 0.00 H new ATOM 0 HA SER A 55 10.858 -2.116 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.281 -5.125 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.662 -4.076 7.828 1.00 0.00 H new ATOM 0 HG SER A 55 11.861 -3.490 9.704 1.00 0.00 H new ATOM 810 N TYR A 56 11.809 -3.695 4.597 1.00 0.00 N ATOM 811 CA TYR A 56 12.588 -3.653 3.372 1.00 0.00 C ATOM 812 C TYR A 56 11.637 -3.344 2.219 1.00 0.00 C ATOM 813 O TYR A 56 10.419 -3.395 2.390 1.00 0.00 O ATOM 814 CB TYR A 56 13.315 -5.004 3.211 1.00 0.00 C ATOM 815 CG TYR A 56 13.860 -5.288 1.816 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.012 -4.608 1.387 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.174 -6.127 0.911 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.487 -4.761 0.074 1.00 0.00 C ATOM 819 CE2 TYR A 56 13.646 -6.285 -0.405 1.00 0.00 C ATOM 820 CZ TYR A 56 14.812 -5.609 -0.827 1.00 0.00 C ATOM 821 OH TYR A 56 15.281 -5.775 -2.096 1.00 0.00 O ATOM 0 H TYR A 56 11.040 -4.363 4.535 1.00 0.00 H new ATOM 0 HA TYR A 56 13.351 -2.875 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.142 -5.040 3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.626 -5.803 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.538 -3.961 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.284 -6.649 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.370 -4.228 -0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.115 -6.925 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 56 14.854 -6.558 -2.503 1.00 0.00 H new ATOM 830 N MET A 57 12.182 -2.987 1.059 1.00 0.00 N ATOM 831 CA MET A 57 11.444 -2.842 -0.180 1.00 0.00 C ATOM 832 C MET A 57 12.456 -2.903 -1.321 1.00 0.00 C ATOM 833 O MET A 57 13.542 -2.328 -1.201 1.00 0.00 O ATOM 834 CB MET A 57 10.686 -1.508 -0.141 1.00 0.00 C ATOM 835 CG MET A 57 9.932 -1.116 -1.415 1.00 0.00 C ATOM 836 SD MET A 57 9.278 0.568 -1.402 1.00 0.00 S ATOM 837 CE MET A 57 7.988 0.282 -2.630 1.00 0.00 C ATOM 0 H MET A 57 13.177 -2.786 0.959 1.00 0.00 H new ATOM 0 HA MET A 57 10.708 -3.633 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.971 -1.545 0.681 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.399 -0.717 0.091 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.601 -1.227 -2.268 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.107 -1.813 -1.564 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.661 1.236 -3.044 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.380 -0.345 -3.430 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.142 -0.218 -2.159 1.00 0.00 H new ATOM 845 N ASP A 58 12.108 -3.573 -2.419 1.00 0.00 N ATOM 846 CA ASP A 58 12.898 -3.583 -3.648 1.00 0.00 C ATOM 847 C ASP A 58 12.343 -2.566 -4.647 1.00 0.00 C ATOM 848 O ASP A 58 11.216 -2.088 -4.504 1.00 0.00 O ATOM 849 CB ASP A 58 12.869 -4.986 -4.272 1.00 0.00 C ATOM 850 CG ASP A 58 13.900 -5.169 -5.392 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.917 -4.441 -5.405 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.659 -6.041 -6.250 1.00 0.00 O ATOM 0 H ASP A 58 11.257 -4.132 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 58 13.926 -3.313 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.052 -5.727 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.872 -5.180 -4.669 1.00 0.00 H new ATOM 856 N SER A 59 13.083 -2.316 -5.727 1.00 0.00 N ATOM 857 CA SER A 59 12.607 -1.588 -6.900 1.00 0.00 C ATOM 858 C SER A 59 11.352 -2.226 -7.518 1.00 0.00 C ATOM 859 O SER A 59 10.639 -1.550 -8.253 1.00 0.00 O ATOM 860 CB SER A 59 13.734 -1.509 -7.938 1.00 0.00 C ATOM 861 OG SER A 59 14.912 -0.927 -7.396 1.00 0.00 O ATOM 0 H SER A 59 14.052 -2.622 -5.811 1.00 0.00 H new ATOM 0 HA SER A 59 12.323 -0.586 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.960 -2.510 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.399 -0.922 -8.794 1.00 0.00 H new ATOM 0 HG SER A 59 15.608 -0.895 -8.085 1.00 0.00 H new ATOM 866 N ALA A 60 11.032 -3.492 -7.217 1.00 0.00 N ATOM 867 CA ALA A 60 9.836 -4.144 -7.727 1.00 0.00 C ATOM 868 C ALA A 60 8.605 -3.559 -7.028 1.00 0.00 C ATOM 869 O ALA A 60 7.559 -3.355 -7.647 1.00 0.00 O ATOM 870 CB ALA A 60 9.970 -5.654 -7.488 1.00 0.00 C ATOM 0 H ALA A 60 11.600 -4.086 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 60 9.718 -3.973 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.082 -6.162 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.851 -6.028 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.073 -5.846 -6.420 1.00 0.00 H new ATOM 876 N GLY A 61 8.747 -3.252 -5.734 1.00 0.00 N ATOM 877 CA GLY A 61 7.711 -2.759 -4.853 1.00 0.00 C ATOM 878 C GLY A 61 7.011 -1.557 -5.472 1.00 0.00 C ATOM 879 O GLY A 61 5.811 -1.497 -5.628 1.00 0.00 O ATOM 0 H GLY A 61 9.643 -3.351 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.986 -3.549 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.145 -2.480 -3.893 1.00 0.00 H new ATOM 883 N LEU A 62 7.743 -0.543 -5.876 1.00 0.00 N ATOM 884 CA LEU A 62 7.129 0.729 -6.245 1.00 0.00 C ATOM 885 C LEU A 62 6.320 0.590 -7.541 1.00 0.00 C ATOM 886 O LEU A 62 5.236 1.166 -7.639 1.00 0.00 O ATOM 887 CB LEU A 62 8.139 1.887 -6.315 1.00 0.00 C ATOM 888 CG LEU A 62 9.604 1.565 -6.659 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.289 2.789 -7.274 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.373 1.177 -5.387 1.00 0.00 C ATOM 0 H LEU A 62 8.759 -0.566 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 62 6.438 0.992 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.774 2.600 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.129 2.394 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 62 9.609 0.739 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.324 2.545 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.766 3.079 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.265 3.615 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.408 0.951 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.346 2.005 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.911 0.299 -4.936 1.00 0.00 H new ATOM 901 N GLY A 63 6.776 -0.238 -8.484 1.00 0.00 N ATOM 902 CA GLY A 63 6.015 -0.645 -9.661 1.00 0.00 C ATOM 903 C GLY A 63 4.754 -1.443 -9.309 1.00 0.00 C ATOM 904 O GLY A 63 3.784 -1.440 -10.068 1.00 0.00 O ATOM 0 H GLY A 63 7.707 -0.652 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.731 0.241 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.652 -1.248 -10.309 1.00 0.00 H new ATOM 908 N THR A 64 4.744 -2.118 -8.164 1.00 0.00 N ATOM 909 CA THR A 64 3.600 -2.814 -7.594 1.00 0.00 C ATOM 910 C THR A 64 2.610 -1.739 -7.160 1.00 0.00 C ATOM 911 O THR A 64 1.475 -1.708 -7.630 1.00 0.00 O ATOM 912 CB THR A 64 4.090 -3.698 -6.415 1.00 0.00 C ATOM 913 OG1 THR A 64 5.231 -4.440 -6.810 1.00 0.00 O ATOM 914 CG2 THR A 64 3.043 -4.657 -5.867 1.00 0.00 C ATOM 0 H THR A 64 5.577 -2.197 -7.580 1.00 0.00 H new ATOM 0 HA THR A 64 3.109 -3.481 -8.302 1.00 0.00 H new ATOM 0 HB THR A 64 4.326 -3.003 -5.609 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.022 -3.861 -6.787 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.471 -5.234 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.186 -4.091 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.721 -5.334 -6.658 1.00 0.00 H new ATOM 922 N LEU A 65 3.046 -0.788 -6.335 1.00 0.00 N ATOM 923 CA LEU A 65 2.212 0.192 -5.695 1.00 0.00 C ATOM 924 C LEU A 65 1.557 1.083 -6.749 1.00 0.00 C ATOM 925 O LEU A 65 0.356 1.330 -6.693 1.00 0.00 O ATOM 926 CB LEU A 65 3.159 0.957 -4.761 1.00 0.00 C ATOM 927 CG LEU A 65 3.410 0.363 -3.365 1.00 0.00 C ATOM 928 CD1 LEU A 65 2.282 0.738 -2.405 1.00 0.00 C ATOM 929 CD2 LEU A 65 3.783 -1.105 -3.284 1.00 0.00 C ATOM 0 H LEU A 65 4.032 -0.687 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 65 1.386 -0.238 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.121 1.054 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.763 1.964 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 65 4.337 0.838 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.481 0.307 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.223 1.823 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.337 0.352 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.930 -1.386 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.983 -1.708 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.705 -1.277 -3.839 1.00 0.00 H new ATOM 940 N VAL A 66 2.308 1.553 -7.745 1.00 0.00 N ATOM 941 CA VAL A 66 1.818 2.498 -8.751 1.00 0.00 C ATOM 942 C VAL A 66 0.824 1.882 -9.747 1.00 0.00 C ATOM 943 O VAL A 66 0.112 2.605 -10.454 1.00 0.00 O ATOM 944 CB VAL A 66 3.057 3.101 -9.421 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.756 2.166 -10.392 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.773 4.445 -10.096 1.00 0.00 C ATOM 0 H VAL A 66 3.283 1.286 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 66 1.225 3.278 -8.274 1.00 0.00 H new ATOM 0 HB VAL A 66 3.745 3.270 -8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.622 2.669 -10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.082 1.270 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.066 1.886 -11.188 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.687 4.823 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.011 4.313 -10.864 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.418 5.158 -9.352 1.00 0.00 H new ATOM 956 N VAL A 67 0.758 0.550 -9.818 1.00 0.00 N ATOM 957 CA VAL A 67 -0.335 -0.119 -10.532 1.00 0.00 C ATOM 958 C VAL A 67 -1.659 0.036 -9.777 1.00 0.00 C ATOM 959 O VAL A 67 -2.710 0.204 -10.394 1.00 0.00 O ATOM 960 CB VAL A 67 0.008 -1.581 -10.898 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.574 -2.661 -9.986 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.581 -1.865 -12.286 1.00 0.00 C ATOM 0 H VAL A 67 1.439 -0.081 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.468 0.383 -11.491 1.00 0.00 H new ATOM 0 HB VAL A 67 1.094 -1.641 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.265 -3.644 -10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.210 -2.513 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.662 -2.597 -9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.355 -2.892 -12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.662 -1.725 -12.258 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.145 -1.180 -13.013 1.00 0.00 H new ATOM 972 N ILE A 68 -1.603 0.038 -8.447 1.00 0.00 N ATOM 973 CA ILE A 68 -2.781 0.117 -7.590 1.00 0.00 C ATOM 974 C ILE A 68 -3.474 1.468 -7.778 1.00 0.00 C ATOM 975 O ILE A 68 -4.695 1.522 -7.735 1.00 0.00 O ATOM 976 CB ILE A 68 -2.435 -0.179 -6.110 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.652 -1.496 -5.922 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.698 -0.237 -5.232 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.396 -2.769 -6.324 1.00 0.00 C ATOM 0 H ILE A 68 -0.726 -0.016 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.485 -0.660 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.799 0.650 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.731 -1.436 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.364 -1.580 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.415 -0.447 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.218 0.720 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.357 -1.026 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.756 -3.634 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.303 -2.864 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.660 -2.718 -7.380 1.00 0.00 H new ATOM 990 N LEU A 69 -2.755 2.560 -8.075 1.00 0.00 N ATOM 991 CA LEU A 69 -3.408 3.846 -8.370 1.00 0.00 C ATOM 992 C LEU A 69 -4.199 3.805 -9.680 1.00 0.00 C ATOM 993 O LEU A 69 -4.954 4.725 -9.990 1.00 0.00 O ATOM 994 CB LEU A 69 -2.366 4.977 -8.403 1.00 0.00 C ATOM 995 CG LEU A 69 -2.816 6.386 -7.950 1.00 0.00 C ATOM 996 CD1 LEU A 69 -3.326 7.277 -9.079 1.00 0.00 C ATOM 997 CD2 LEU A 69 -3.816 6.392 -6.793 1.00 0.00 C ATOM 0 H LEU A 69 -1.736 2.581 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.122 4.041 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.526 4.677 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.991 5.057 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.885 6.817 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.620 8.245 -8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.536 7.417 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.187 6.806 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.076 7.420 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.716 5.852 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.370 5.908 -5.924 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.032 2.750 -10.474 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.897 2.451 -11.596 1.00 0.00 C ATOM 1010 C LYS A 70 -5.982 1.573 -11.006 1.00 0.00 C ATOM 1011 O LYS A 70 -7.062 2.074 -10.767 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.125 1.876 -12.801 1.00 0.00 C ATOM 1013 CG LYS A 70 -2.737 2.533 -12.904 1.00 0.00 C ATOM 1014 CD LYS A 70 -2.032 2.366 -14.258 1.00 0.00 C ATOM 1015 CE LYS A 70 -1.162 3.597 -14.577 1.00 0.00 C ATOM 1016 NZ LYS A 70 -0.034 3.814 -13.637 1.00 0.00 N ATOM 0 H LYS A 70 -3.279 2.073 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.349 3.333 -12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.018 0.797 -12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.687 2.050 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.841 3.598 -12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.097 2.117 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.411 1.470 -14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.774 2.225 -15.044 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.763 3.492 -15.586 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.795 4.484 -14.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.499 4.660 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.405 3.947 -12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.596 2.987 -13.654 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.699 0.319 -10.671 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.661 -0.683 -10.206 1.00 0.00 C ATOM 1028 C ASP A 71 -7.696 -0.156 -9.190 1.00 0.00 C ATOM 1029 O ASP A 71 -8.874 -0.496 -9.307 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.895 -1.879 -9.592 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.373 -2.928 -10.580 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -6.063 -3.224 -11.582 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.278 -3.480 -10.321 1.00 0.00 O ATOM 0 H ASP A 71 -4.748 -0.047 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.233 -0.984 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.048 -1.490 -9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.552 -2.377 -8.879 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.301 0.679 -8.220 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.152 1.338 -7.242 1.00 0.00 C ATOM 1039 C ALA A 72 -9.072 2.324 -7.950 1.00 0.00 C ATOM 1040 O ALA A 72 -10.284 2.162 -7.885 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.285 2.053 -6.192 1.00 0.00 C ATOM 0 H ALA A 72 -6.318 0.922 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.765 0.596 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.929 2.545 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.652 1.324 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.659 2.798 -6.683 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.513 3.316 -8.648 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.230 4.280 -9.485 1.00 0.00 C ATOM 1049 C LYS A 73 -10.215 3.571 -10.418 1.00 0.00 C ATOM 1050 O LYS A 73 -11.364 3.991 -10.535 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.197 5.074 -10.292 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.855 6.172 -11.131 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.339 6.230 -12.574 1.00 0.00 C ATOM 1054 CE LYS A 73 -7.634 7.558 -12.803 1.00 0.00 C ATOM 1055 NZ LYS A 73 -8.584 8.691 -12.875 1.00 0.00 N ATOM 0 H LYS A 73 -7.506 3.476 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.811 4.954 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.471 5.521 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.648 4.397 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.933 6.011 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.683 7.136 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.653 5.404 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.168 6.120 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.923 7.733 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.060 7.508 -13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.071 9.558 -13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.309 8.491 -13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.040 8.821 -11.950 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.774 2.494 -11.060 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.530 1.661 -11.986 1.00 0.00 C ATOM 1067 C ILE A 74 -11.776 1.089 -11.293 1.00 0.00 C ATOM 1068 O ILE A 74 -12.790 0.893 -11.956 1.00 0.00 O ATOM 1069 CB ILE A 74 -9.575 0.572 -12.537 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.464 1.214 -13.404 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -10.295 -0.498 -13.368 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -7.360 0.272 -13.876 1.00 0.00 C ATOM 0 H ILE A 74 -8.818 2.159 -10.939 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.904 2.242 -12.829 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.144 0.081 -11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.929 1.666 -14.280 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.006 2.022 -12.834 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.571 -1.230 -13.724 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.042 -0.997 -12.750 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.785 -0.028 -14.221 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.638 0.828 -14.474 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.858 -0.162 -13.011 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.795 -0.524 -14.480 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.731 0.863 -9.977 1.00 0.00 N ATOM 1084 CA ASN A 75 -12.861 0.408 -9.164 1.00 0.00 C ATOM 1085 C ASN A 75 -13.456 1.530 -8.309 1.00 0.00 C ATOM 1086 O ASN A 75 -14.236 1.274 -7.386 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.451 -0.818 -8.330 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.397 -1.976 -8.597 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.455 -2.103 -7.983 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -13.047 -2.818 -9.551 1.00 0.00 N ATOM 0 H ASN A 75 -10.880 0.996 -9.431 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.662 0.104 -9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.430 -1.109 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.464 -0.566 -7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.660 -3.596 -9.794 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.164 -2.690 -10.045 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.078 2.778 -8.584 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.593 3.963 -7.929 1.00 0.00 C ATOM 1098 C GLY A 76 -13.114 4.083 -6.488 1.00 0.00 C ATOM 1099 O GLY A 76 -13.926 4.419 -5.621 1.00 0.00 O ATOM 0 H GLY A 76 -12.379 2.991 -9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.284 4.847 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.683 3.940 -7.946 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.843 3.754 -6.209 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.281 3.737 -4.854 1.00 0.00 C ATOM 1105 C LYS A 77 -10.069 4.664 -4.728 1.00 0.00 C ATOM 1106 O LYS A 77 -9.414 4.989 -5.724 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.862 2.307 -4.491 1.00 0.00 C ATOM 1108 CG LYS A 77 -11.924 1.222 -4.699 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.083 1.336 -3.708 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.031 0.149 -3.897 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.111 0.413 -4.864 1.00 0.00 N ATOM 0 H LYS A 77 -11.170 3.489 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.052 4.093 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.984 2.046 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.558 2.293 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.312 1.289 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.460 0.241 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.703 1.353 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.619 2.272 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.457 -0.716 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.471 -0.113 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.591 -0.479 -5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.796 1.075 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.709 0.829 -5.728 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.749 5.045 -3.495 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.596 5.848 -3.082 1.00 0.00 C ATOM 1123 C GLU A 78 -7.363 4.958 -2.905 1.00 0.00 C ATOM 1124 O GLU A 78 -7.424 3.754 -3.145 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.933 6.534 -1.739 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.393 7.958 -1.591 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.265 8.970 -2.340 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -9.502 8.767 -3.555 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -9.709 9.956 -1.707 1.00 0.00 O ATOM 0 H GLU A 78 -10.329 4.783 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.378 6.594 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.016 6.558 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.537 5.924 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.351 8.224 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.373 8.003 -1.972 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.245 5.537 -2.453 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.025 4.847 -2.061 1.00 0.00 C ATOM 1136 C PHE A 79 -4.097 5.834 -1.318 1.00 0.00 C ATOM 1137 O PHE A 79 -3.789 6.899 -1.850 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.404 4.285 -3.342 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.924 4.039 -3.230 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.416 2.893 -2.590 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.064 5.077 -3.609 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.045 2.820 -2.288 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.713 5.024 -3.271 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.202 3.905 -2.599 1.00 0.00 C ATOM 0 H PHE A 79 -6.170 6.549 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.211 4.024 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.902 3.350 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.588 4.980 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.074 2.076 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.448 5.920 -4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.640 1.935 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.060 5.845 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.841 3.875 -2.319 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.669 5.501 -0.097 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.859 6.286 0.849 1.00 0.00 C ATOM 1155 C ILE A 80 -1.927 5.275 1.529 1.00 0.00 C ATOM 1156 O ILE A 80 -2.334 4.128 1.723 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.793 6.963 1.886 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.828 7.902 1.213 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.957 7.692 2.963 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.938 8.386 2.150 1.00 0.00 C ATOM 0 H ILE A 80 -3.901 4.588 0.295 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.290 7.076 0.359 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.372 6.183 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.306 8.769 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.281 7.380 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.624 8.163 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.317 6.973 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.339 8.455 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.619 9.037 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.488 7.528 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.498 8.938 2.980 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.717 5.673 1.931 1.00 0.00 N ATOM 1172 CA LEU A 81 0.200 4.849 2.718 1.00 0.00 C ATOM 1173 C LEU A 81 0.432 5.517 4.067 1.00 0.00 C ATOM 1174 O LEU A 81 0.616 6.734 4.110 1.00 0.00 O ATOM 1175 CB LEU A 81 1.561 4.769 2.008 1.00 0.00 C ATOM 1176 CG LEU A 81 1.539 4.069 0.643 1.00 0.00 C ATOM 1177 CD1 LEU A 81 2.814 4.389 -0.117 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.398 2.554 0.709 1.00 0.00 C ATOM 0 H LEU A 81 -0.341 6.596 1.713 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.230 3.855 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.945 5.781 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.262 4.245 2.657 1.00 0.00 H new ATOM 0 HG LEU A 81 0.651 4.451 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.795 3.890 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.889 5.466 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.675 4.041 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.392 2.145 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.236 2.134 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.465 2.297 1.210 1.00 0.00 H new ATOM 1189 N SER A 82 0.537 4.733 5.138 1.00 0.00 N ATOM 1190 CA SER A 82 0.905 5.233 6.453 1.00 0.00 C ATOM 1191 C SER A 82 1.890 4.291 7.162 1.00 0.00 C ATOM 1192 O SER A 82 2.108 3.165 6.723 1.00 0.00 O ATOM 1193 CB SER A 82 -0.410 5.483 7.212 1.00 0.00 C ATOM 1194 OG SER A 82 -0.625 6.866 7.321 1.00 0.00 O ATOM 0 H SER A 82 0.367 3.728 5.114 1.00 0.00 H new ATOM 0 HA SER A 82 1.456 6.172 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.242 5.014 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.363 5.031 8.203 1.00 0.00 H new ATOM 0 HG SER A 82 -1.379 7.033 7.925 1.00 0.00 H new ATOM 1199 N SER A 83 2.499 4.745 8.258 1.00 0.00 N ATOM 1200 CA SER A 83 3.569 4.082 9.005 1.00 0.00 C ATOM 1201 C SER A 83 4.808 3.792 8.139 1.00 0.00 C ATOM 1202 O SER A 83 5.496 2.787 8.361 1.00 0.00 O ATOM 1203 CB SER A 83 3.029 2.827 9.718 1.00 0.00 C ATOM 1204 OG SER A 83 4.024 2.296 10.581 1.00 0.00 O ATOM 0 H SER A 83 2.243 5.641 8.674 1.00 0.00 H new ATOM 0 HA SER A 83 3.917 4.773 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.136 3.079 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.736 2.078 8.982 1.00 0.00 H new ATOM 0 HG SER A 83 4.882 2.263 10.109 1.00 0.00 H new ATOM 1209 N LEU A 84 5.102 4.624 7.132 1.00 0.00 N ATOM 1210 CA LEU A 84 6.260 4.389 6.275 1.00 0.00 C ATOM 1211 C LEU A 84 7.560 4.546 7.060 1.00 0.00 C ATOM 1212 O LEU A 84 7.777 5.534 7.774 1.00 0.00 O ATOM 1213 CB LEU A 84 6.227 5.268 5.015 1.00 0.00 C ATOM 1214 CG LEU A 84 5.436 4.549 3.908 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.034 5.552 2.834 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.245 3.392 3.293 1.00 0.00 C ATOM 0 H LEU A 84 4.559 5.455 6.896 1.00 0.00 H new ATOM 0 HA LEU A 84 6.215 3.357 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.765 6.229 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.242 5.474 4.676 1.00 0.00 H new ATOM 0 HG LEU A 84 4.540 4.117 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.474 5.041 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.412 6.330 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.928 6.004 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.654 2.908 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.166 3.782 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.488 2.666 4.068 1.00 0.00 H new ATOM 1227 N LYS A 85 8.416 3.527 6.956 1.00 0.00 N ATOM 1228 CA LYS A 85 9.711 3.534 7.619 1.00 0.00 C ATOM 1229 C LYS A 85 10.619 4.506 6.940 1.00 0.00 C ATOM 1230 O LYS A 85 10.626 4.616 5.721 1.00 0.00 O ATOM 1231 CB LYS A 85 10.378 2.168 7.637 1.00 0.00 C ATOM 1232 CG LYS A 85 9.458 1.173 8.319 1.00 0.00 C ATOM 1233 CD LYS A 85 10.268 0.118 9.059 1.00 0.00 C ATOM 1234 CE LYS A 85 9.233 -0.839 9.625 1.00 0.00 C ATOM 1235 NZ LYS A 85 9.798 -1.695 10.678 1.00 0.00 N ATOM 0 H LYS A 85 8.229 2.684 6.414 1.00 0.00 H new ATOM 0 HA LYS A 85 9.531 3.825 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.595 1.843 6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.330 2.222 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.804 1.694 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.817 0.695 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.956 -0.395 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.869 0.564 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.395 -0.271 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.838 -1.462 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.032 -2.052 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.298 -2.497 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.465 -1.143 11.254 1.00 0.00 H new ATOM 1245 N GLU A 86 11.472 5.114 7.738 1.00 0.00 N ATOM 1246 CA GLU A 86 12.295 6.217 7.250 1.00 0.00 C ATOM 1247 C GLU A 86 13.339 5.742 6.223 1.00 0.00 C ATOM 1248 O GLU A 86 13.793 6.521 5.378 1.00 0.00 O ATOM 1249 CB GLU A 86 12.887 6.982 8.440 1.00 0.00 C ATOM 1250 CG GLU A 86 13.572 8.269 7.969 1.00 0.00 C ATOM 1251 CD GLU A 86 13.716 9.307 9.078 1.00 0.00 C ATOM 1252 OE1 GLU A 86 12.694 9.739 9.668 1.00 0.00 O ATOM 1253 OE2 GLU A 86 14.850 9.786 9.281 1.00 0.00 O ATOM 0 H GLU A 86 11.618 4.872 8.718 1.00 0.00 H new ATOM 0 HA GLU A 86 11.672 6.921 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.098 7.224 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.606 6.351 8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.559 8.026 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.999 8.700 7.148 1.00 0.00 H new ATOM 1258 N SER A 87 13.657 4.442 6.215 1.00 0.00 N ATOM 1259 CA SER A 87 14.523 3.841 5.199 1.00 0.00 C ATOM 1260 C SER A 87 13.768 3.470 3.910 1.00 0.00 C ATOM 1261 O SER A 87 14.379 2.986 2.957 1.00 0.00 O ATOM 1262 CB SER A 87 15.276 2.633 5.776 1.00 0.00 C ATOM 1263 OG SER A 87 16.656 2.768 5.494 1.00 0.00 O ATOM 0 H SER A 87 13.320 3.779 6.913 1.00 0.00 H new ATOM 0 HA SER A 87 15.251 4.600 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.117 2.570 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.893 1.709 5.343 1.00 0.00 H new ATOM 0 HG SER A 87 17.142 2.000 5.862 1.00 0.00 H new ATOM 1268 N ILE A 88 12.458 3.703 3.847 1.00 0.00 N ATOM 1269 CA ILE A 88 11.573 3.376 2.736 1.00 0.00 C ATOM 1270 C ILE A 88 10.985 4.677 2.194 1.00 0.00 C ATOM 1271 O ILE A 88 10.847 4.855 0.983 1.00 0.00 O ATOM 1272 CB ILE A 88 10.449 2.436 3.196 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.968 1.176 3.935 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.539 2.096 2.011 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.753 0.175 3.088 1.00 0.00 C ATOM 0 H ILE A 88 11.960 4.151 4.616 1.00 0.00 H new ATOM 0 HA ILE A 88 12.136 2.864 1.956 1.00 0.00 H new ATOM 0 HB ILE A 88 9.857 2.965 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.603 1.499 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.114 0.659 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.743 1.429 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.102 3.012 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.123 1.605 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.064 -0.663 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.122 -0.190 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.634 0.663 2.670 1.00 0.00 H new ATOM 1286 N SER A 89 10.685 5.623 3.081 1.00 0.00 N ATOM 1287 CA SER A 89 10.191 6.932 2.697 1.00 0.00 C ATOM 1288 C SER A 89 11.225 7.570 1.746 1.00 0.00 C ATOM 1289 O SER A 89 10.917 7.975 0.623 1.00 0.00 O ATOM 1290 CB SER A 89 9.962 7.831 3.924 1.00 0.00 C ATOM 1291 OG SER A 89 9.450 7.145 5.046 1.00 0.00 O ATOM 0 H SER A 89 10.780 5.497 4.089 1.00 0.00 H new ATOM 0 HA SER A 89 9.228 6.825 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.906 8.303 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.273 8.631 3.653 1.00 0.00 H new ATOM 0 HG SER A 89 9.331 7.774 5.788 1.00 0.00 H new ATOM 1296 N ARG A 90 12.508 7.528 2.147 1.00 0.00 N ATOM 1297 CA ARG A 90 13.640 7.918 1.304 1.00 0.00 C ATOM 1298 C ARG A 90 13.663 7.177 -0.021 1.00 0.00 C ATOM 1299 O ARG A 90 14.095 7.740 -1.005 1.00 0.00 O ATOM 1300 CB ARG A 90 14.972 7.703 2.021 1.00 0.00 C ATOM 1301 CG ARG A 90 15.457 6.244 1.971 1.00 0.00 C ATOM 1302 CD ARG A 90 16.616 6.009 2.909 1.00 0.00 C ATOM 1303 NE ARG A 90 17.908 6.423 2.336 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.472 7.634 2.425 1.00 0.00 C ATOM 1305 NH1 ARG A 90 17.926 8.598 3.156 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.599 7.876 1.769 1.00 0.00 N ATOM 0 H ARG A 90 12.786 7.218 3.078 1.00 0.00 H new ATOM 0 HA ARG A 90 13.505 8.980 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.728 8.346 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.871 8.010 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.635 5.578 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.756 5.995 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.443 6.555 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.660 4.951 3.166 1.00 0.00 H new ATOM 0 HE ARG A 90 18.427 5.714 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.059 8.424 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.373 9.513 3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.028 7.143 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.037 8.795 1.830 1.00 0.00 H new ATOM 1317 N ILE A 91 13.296 5.901 -0.049 1.00 0.00 N ATOM 1318 CA ILE A 91 13.436 5.046 -1.215 1.00 0.00 C ATOM 1319 C ILE A 91 12.482 5.583 -2.282 1.00 0.00 C ATOM 1320 O ILE A 91 12.891 5.855 -3.412 1.00 0.00 O ATOM 1321 CB ILE A 91 13.186 3.581 -0.770 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.546 2.886 -0.572 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.246 2.776 -1.685 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.423 1.448 -0.056 1.00 0.00 C ATOM 0 H ILE A 91 12.885 5.426 0.755 1.00 0.00 H new ATOM 0 HA ILE A 91 14.432 5.051 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 91 12.642 3.619 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.084 2.880 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.144 3.467 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.133 1.766 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.271 3.262 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.667 2.730 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.417 1.017 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.912 1.449 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.852 0.853 -0.769 1.00 0.00 H new ATOM 1335 N LEU A 92 11.227 5.827 -1.892 1.00 0.00 N ATOM 1336 CA LEU A 92 10.247 6.478 -2.724 1.00 0.00 C ATOM 1337 C LEU A 92 10.804 7.814 -3.183 1.00 0.00 C ATOM 1338 O LEU A 92 10.799 8.094 -4.374 1.00 0.00 O ATOM 1339 CB LEU A 92 8.950 6.654 -1.928 1.00 0.00 C ATOM 1340 CG LEU A 92 8.286 5.319 -1.561 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.424 5.484 -0.306 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.515 4.828 -2.788 1.00 0.00 C ATOM 0 H LEU A 92 10.872 5.568 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 92 10.025 5.876 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.163 7.211 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.251 7.253 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 92 9.022 4.557 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.959 4.530 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.049 5.811 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.649 6.228 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.031 3.879 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.759 5.564 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.205 4.691 -3.620 1.00 0.00 H new ATOM 1353 N LYS A 93 11.298 8.646 -2.271 1.00 0.00 N ATOM 1354 CA LYS A 93 11.820 9.966 -2.576 1.00 0.00 C ATOM 1355 C LYS A 93 12.929 9.894 -3.627 1.00 0.00 C ATOM 1356 O LYS A 93 12.845 10.555 -4.662 1.00 0.00 O ATOM 1357 CB LYS A 93 12.226 10.586 -1.231 1.00 0.00 C ATOM 1358 CG LYS A 93 13.001 11.866 -1.451 1.00 0.00 C ATOM 1359 CD LYS A 93 12.956 12.852 -0.283 1.00 0.00 C ATOM 1360 CE LYS A 93 14.084 12.631 0.718 1.00 0.00 C ATOM 1361 NZ LYS A 93 14.094 13.698 1.734 1.00 0.00 N ATOM 0 H LYS A 93 11.346 8.412 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 93 11.080 10.615 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.337 10.790 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.833 9.879 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.042 11.614 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.613 12.361 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.013 13.870 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.998 12.759 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.963 11.662 1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.041 12.609 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.869 13.530 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.232 14.618 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.188 13.700 2.244 1.00 0.00 H new ATOM 1371 N LEU A 94 13.903 9.023 -3.403 1.00 0.00 N ATOM 1372 CA LEU A 94 15.052 8.763 -4.244 1.00 0.00 C ATOM 1373 C LEU A 94 14.630 8.507 -5.687 1.00 0.00 C ATOM 1374 O LEU A 94 15.227 9.085 -6.601 1.00 0.00 O ATOM 1375 CB LEU A 94 15.850 7.585 -3.650 1.00 0.00 C ATOM 1376 CG LEU A 94 16.830 7.996 -2.535 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.407 6.747 -1.864 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.986 8.853 -3.055 1.00 0.00 C ATOM 0 H LEU A 94 13.906 8.440 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 94 15.697 9.641 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.151 6.849 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.408 7.097 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 94 16.263 8.593 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 94 18.099 7.044 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.597 6.159 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.936 6.147 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.646 9.114 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.546 8.293 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.590 9.764 -3.505 1.00 0.00 H new ATOM 1389 N THR A 95 13.598 7.690 -5.896 1.00 0.00 N ATOM 1390 CA THR A 95 13.088 7.291 -7.212 1.00 0.00 C ATOM 1391 C THR A 95 11.851 8.134 -7.596 1.00 0.00 C ATOM 1392 O THR A 95 10.982 7.703 -8.356 1.00 0.00 O ATOM 1393 CB THR A 95 12.875 5.763 -7.206 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.942 5.141 -6.508 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.870 5.147 -8.611 1.00 0.00 C ATOM 0 H THR A 95 13.074 7.272 -5.127 1.00 0.00 H new ATOM 0 HA THR A 95 13.806 7.501 -8.005 1.00 0.00 H new ATOM 0 HB THR A 95 11.904 5.598 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.807 4.170 -6.502 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.716 4.071 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.065 5.589 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.825 5.344 -9.098 1.00 0.00 H new ATOM 1403 N HIS A 96 11.780 9.360 -7.066 1.00 0.00 N ATOM 1404 CA HIS A 96 10.780 10.406 -7.289 1.00 0.00 C ATOM 1405 C HIS A 96 9.333 10.003 -7.052 1.00 0.00 C ATOM 1406 O HIS A 96 8.449 10.622 -7.628 1.00 0.00 O ATOM 1407 CB HIS A 96 10.913 11.104 -8.654 1.00 0.00 C ATOM 1408 CG HIS A 96 12.312 11.190 -9.213 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.413 11.711 -8.568 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.719 10.705 -10.424 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.479 11.522 -9.365 1.00 0.00 C ATOM 1412 NE2 HIS A 96 14.082 10.916 -10.503 1.00 0.00 N ATOM 0 H HIS A 96 12.492 9.673 -6.406 1.00 0.00 H new ATOM 0 HA HIS A 96 11.027 11.120 -6.503 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.286 10.577 -9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.515 12.115 -8.565 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.095 10.245 -11.176 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.493 11.810 -9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.683 10.658 -11.286 1.00 0.00 H new ATOM 1420 N LEU A 97 9.065 9.015 -6.208 1.00 0.00 N ATOM 1421 CA LEU A 97 7.728 8.586 -5.847 1.00 0.00 C ATOM 1422 C LEU A 97 7.163 9.350 -4.671 1.00 0.00 C ATOM 1423 O LEU A 97 5.971 9.627 -4.671 1.00 0.00 O ATOM 1424 CB LEU A 97 7.740 7.100 -5.478 1.00 0.00 C ATOM 1425 CG LEU A 97 7.073 6.309 -6.604 1.00 0.00 C ATOM 1426 CD1 LEU A 97 8.039 6.091 -7.761 1.00 0.00 C ATOM 1427 CD2 LEU A 97 6.556 5.002 -6.040 1.00 0.00 C ATOM 0 H LEU A 97 9.797 8.477 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 97 7.099 8.777 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.764 6.756 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.211 6.940 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 97 6.232 6.873 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.541 5.526 -8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.360 7.056 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.908 5.535 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.077 4.427 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.387 4.430 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.831 5.207 -5.252 1.00 0.00 H new ATOM 1438 N ASP A 98 7.958 9.664 -3.650 1.00 0.00 N ATOM 1439 CA ASP A 98 7.419 10.305 -2.445 1.00 0.00 C ATOM 1440 C ASP A 98 6.844 11.672 -2.799 1.00 0.00 C ATOM 1441 O ASP A 98 5.755 12.028 -2.364 1.00 0.00 O ATOM 1442 CB ASP A 98 8.512 10.426 -1.392 1.00 0.00 C ATOM 1443 CG ASP A 98 8.120 11.289 -0.203 1.00 0.00 C ATOM 1444 OD1 ASP A 98 7.627 10.718 0.789 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.455 12.498 -0.229 1.00 0.00 O ATOM 0 H ASP A 98 8.963 9.490 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 98 6.616 9.693 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.774 9.430 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.406 10.844 -1.855 1.00 0.00 H new ATOM 1449 N LYS A 99 7.510 12.374 -3.720 1.00 0.00 N ATOM 1450 CA LYS A 99 7.030 13.612 -4.303 1.00 0.00 C ATOM 1451 C LYS A 99 5.691 13.486 -5.054 1.00 0.00 C ATOM 1452 O LYS A 99 5.211 14.529 -5.503 1.00 0.00 O ATOM 1453 CB LYS A 99 8.146 14.245 -5.161 1.00 0.00 C ATOM 1454 CG LYS A 99 8.474 13.419 -6.406 1.00 0.00 C ATOM 1455 CD LYS A 99 8.781 14.220 -7.684 1.00 0.00 C ATOM 1456 CE LYS A 99 7.692 15.240 -8.032 1.00 0.00 C ATOM 1457 NZ LYS A 99 7.768 15.691 -9.434 1.00 0.00 N ATOM 0 H LYS A 99 8.418 12.084 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 99 6.793 14.286 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.841 15.247 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.046 14.355 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.333 12.786 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.634 12.755 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.731 14.740 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.903 13.529 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.713 14.798 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.782 16.102 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.011 16.379 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.691 16.138 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.656 14.874 -10.068 1.00 0.00 H new ATOM 1467 N ILE A 100 5.110 12.291 -5.269 1.00 0.00 N ATOM 1468 CA ILE A 100 3.920 12.116 -6.096 1.00 0.00 C ATOM 1469 C ILE A 100 2.905 11.120 -5.510 1.00 0.00 C ATOM 1470 O ILE A 100 1.804 11.006 -6.053 1.00 0.00 O ATOM 1471 CB ILE A 100 4.348 11.704 -7.526 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.304 10.511 -7.572 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.942 12.875 -8.329 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.681 10.058 -8.990 1.00 0.00 C ATOM 0 H ILE A 100 5.461 11.421 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 100 3.399 13.073 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 100 3.416 11.391 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.215 10.769 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.847 9.673 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.224 12.528 -9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.200 13.668 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.823 13.259 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.361 9.208 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.780 9.766 -9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.169 10.878 -9.516 1.00 0.00 H new ATOM 1485 N PHE A 101 3.235 10.378 -4.457 1.00 0.00 N ATOM 1486 CA PHE A 101 2.355 9.432 -3.765 1.00 0.00 C ATOM 1487 C PHE A 101 1.786 10.125 -2.509 1.00 0.00 C ATOM 1488 O PHE A 101 2.100 11.287 -2.251 1.00 0.00 O ATOM 1489 CB PHE A 101 3.171 8.169 -3.419 1.00 0.00 C ATOM 1490 CG PHE A 101 3.090 6.978 -4.376 1.00 0.00 C ATOM 1491 CD1 PHE A 101 3.673 7.006 -5.658 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.523 5.766 -3.944 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.617 5.892 -6.512 1.00 0.00 C ATOM 1494 CE2 PHE A 101 2.466 4.649 -4.779 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.027 4.723 -6.046 1.00 0.00 C ATOM 0 H PHE A 101 4.165 10.419 -4.041 1.00 0.00 H new ATOM 0 HA PHE A 101 1.515 9.127 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.218 8.460 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.856 7.827 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.174 7.903 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.122 5.698 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.024 5.943 -7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.991 3.739 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.005 3.852 -6.685 1.00 0.00 H new ATOM 1504 N LYS A 102 0.988 9.417 -1.695 1.00 0.00 N ATOM 1505 CA LYS A 102 0.392 9.961 -0.469 1.00 0.00 C ATOM 1506 C LYS A 102 0.918 9.243 0.753 1.00 0.00 C ATOM 1507 O LYS A 102 0.717 8.033 0.882 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.131 9.881 -0.561 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.864 10.645 0.554 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.735 11.801 0.046 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.859 11.998 1.063 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.612 13.252 0.866 1.00 0.00 N ATOM 0 H LYS A 102 0.738 8.444 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 102 0.675 11.009 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.448 10.275 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.433 8.834 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.491 9.947 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.128 11.038 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.145 12.712 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.142 11.572 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.548 11.155 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.436 11.990 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.359 13.325 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.966 14.062 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.043 13.253 -0.080 1.00 0.00 H new ATOM 1522 N ILE A 103 1.577 9.986 1.629 1.00 0.00 N ATOM 1523 CA ILE A 103 2.276 9.465 2.784 1.00 0.00 C ATOM 1524 C ILE A 103 1.799 10.183 4.035 1.00 0.00 C ATOM 1525 O ILE A 103 1.831 11.414 4.102 1.00 0.00 O ATOM 1526 CB ILE A 103 3.818 9.537 2.607 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.341 8.721 1.395 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.526 9.045 3.887 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.421 9.526 0.092 1.00 0.00 C ATOM 0 H ILE A 103 1.639 11.001 1.549 1.00 0.00 H new ATOM 0 HA ILE A 103 2.041 8.406 2.891 1.00 0.00 H new ATOM 0 HB ILE A 103 4.049 10.585 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.331 8.332 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.689 7.861 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.606 9.101 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.234 9.673 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.238 8.013 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.795 8.887 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.429 9.893 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.096 10.371 0.227 1.00 0.00 H new ATOM 1540 N THR A 104 1.435 9.392 5.036 1.00 0.00 N ATOM 1541 CA THR A 104 1.099 9.822 6.374 1.00 0.00 C ATOM 1542 C THR A 104 1.897 9.006 7.394 1.00 0.00 C ATOM 1543 O THR A 104 2.713 8.137 7.064 1.00 0.00 O ATOM 1544 CB THR A 104 -0.434 9.811 6.552 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.132 8.896 5.716 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.014 11.135 6.098 1.00 0.00 C ATOM 0 H THR A 104 1.365 8.381 4.923 1.00 0.00 H new ATOM 0 HA THR A 104 1.395 10.856 6.552 1.00 0.00 H new ATOM 0 HB THR A 104 -0.560 9.561 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.899 7.978 5.969 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.096 11.121 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.588 11.942 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.775 11.296 5.047 1.00 0.00 H new ATOM 1554 N ASP A 105 1.731 9.384 8.650 1.00 0.00 N ATOM 1555 CA ASP A 105 2.409 8.844 9.808 1.00 0.00 C ATOM 1556 C ASP A 105 1.526 7.730 10.305 1.00 0.00 C ATOM 1557 O ASP A 105 1.887 6.557 10.285 1.00 0.00 O ATOM 1558 CB ASP A 105 2.510 9.903 10.919 1.00 0.00 C ATOM 1559 CG ASP A 105 3.802 10.693 10.840 1.00 0.00 C ATOM 1560 OD1 ASP A 105 3.838 11.709 10.118 1.00 0.00 O ATOM 1561 OD2 ASP A 105 4.778 10.265 11.501 1.00 0.00 O ATOM 0 H ASP A 105 1.076 10.125 8.900 1.00 0.00 H new ATOM 0 HA ASP A 105 3.416 8.516 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.663 10.586 10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.443 9.415 11.891 1.00 0.00 H new ATOM 1565 N THR A 106 0.329 8.108 10.736 1.00 0.00 N ATOM 1566 CA THR A 106 -0.585 7.200 11.375 1.00 0.00 C ATOM 1567 C THR A 106 -1.640 6.842 10.351 1.00 0.00 C ATOM 1568 O THR A 106 -2.013 7.639 9.486 1.00 0.00 O ATOM 1569 CB THR A 106 -1.100 7.834 12.677 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.657 9.118 12.436 1.00 0.00 O ATOM 1571 CG2 THR A 106 0.032 7.950 13.706 1.00 0.00 C ATOM 0 H THR A 106 -0.027 9.060 10.647 1.00 0.00 H new ATOM 0 HA THR A 106 -0.125 6.264 11.693 1.00 0.00 H new ATOM 0 HB THR A 106 -1.880 7.184 13.074 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.979 9.499 13.280 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.353 8.401 14.621 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.425 6.958 13.928 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.829 8.574 13.301 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.131 5.615 10.418 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.254 5.156 9.616 1.00 0.00 C ATOM 1581 C VAL A 107 -4.477 6.046 9.882 1.00 0.00 C ATOM 1582 O VAL A 107 -5.277 6.301 8.989 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.457 3.681 9.984 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -4.857 3.174 9.712 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.445 2.807 9.241 1.00 0.00 C ATOM 0 H VAL A 107 -1.755 4.899 11.040 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.080 5.230 8.543 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.301 3.615 11.061 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.925 2.124 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.574 3.755 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.082 3.277 8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.599 1.762 9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.580 2.928 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.434 3.107 9.516 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.585 6.550 11.109 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.613 7.502 11.514 1.00 0.00 C ATOM 1597 C GLU A 108 -5.615 8.767 10.641 1.00 0.00 C ATOM 1598 O GLU A 108 -6.687 9.294 10.346 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.438 7.838 13.001 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.230 6.850 13.878 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.677 7.292 14.107 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -8.289 7.793 13.140 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.203 7.154 15.233 1.00 0.00 O ATOM 0 H GLU A 108 -3.946 6.302 11.864 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.588 7.038 11.367 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.381 7.801 13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.779 8.856 13.192 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.225 5.867 13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.730 6.744 14.841 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.445 9.255 10.202 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.339 10.480 9.406 1.00 0.00 C ATOM 1610 C GLU A 109 -4.709 10.279 7.926 1.00 0.00 C ATOM 1611 O GLU A 109 -4.616 11.217 7.123 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.904 11.016 9.498 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.827 12.528 9.216 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.374 13.338 10.426 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -1.334 13.000 11.027 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -3.087 14.310 10.775 1.00 0.00 O ATOM 0 H GLU A 109 -3.547 8.809 10.391 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.055 11.191 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.506 10.813 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.273 10.483 8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.138 12.703 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.806 12.882 8.895 1.00 0.00 H new ATOM 1621 N ALA A 110 -5.049 9.054 7.528 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.388 8.770 6.155 1.00 0.00 C ATOM 1623 C ALA A 110 -6.826 9.179 5.889 1.00 0.00 C ATOM 1624 O ALA A 110 -7.032 10.024 5.002 1.00 0.00 O ATOM 1625 CB ALA A 110 -5.148 7.304 5.865 1.00 0.00 C ATOM 0 H ALA A 110 -5.094 8.246 8.149 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.752 9.347 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.405 7.092 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.098 7.067 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.768 6.696 6.524 1.00 0.00 H new TER 1631 ALA A 110