USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 717 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 2 SER OG : rot -142:sc= 0.161 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0.152 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0729 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -0.581 K(o=-0.58,f=-1.5) USER MOD Single : A 14 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0151 (180deg=-0.173) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 31 GLN : amide:sc= -4.72! C(o=-4.7!,f=-4.6!) USER MOD Single : A 37 SER OG : rot 4:sc= 0.534 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.824 K(o=-0.82,f=-8.6!) USER MOD Single : A 55 THR OG1 : rot -31:sc= 0.812 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -50:sc= 0.113 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -57:sc= 0.00899 USER MOD Single : A 70 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.0044) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -10.7! C(o=-13!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 108:sc= 1.15 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 22:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.588 15.650 -5.688 1.00 0.00 N ATOM 2 CA GLY A 1 16.193 14.330 -5.672 1.00 0.00 C ATOM 3 C GLY A 1 15.298 13.275 -6.291 1.00 0.00 C ATOM 4 O GLY A 1 14.248 13.592 -6.850 1.00 0.00 O ATOM 0 H1 GLY A 1 16.198 16.305 -6.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.655 15.599 -6.145 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.478 15.993 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.140 14.361 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.421 14.051 -4.643 1.00 0.00 H new ATOM 8 N SER A 2 15.715 12.017 -6.194 1.00 0.00 N ATOM 9 CA SER A 2 14.946 10.911 -6.754 1.00 0.00 C ATOM 10 C SER A 2 14.331 10.062 -5.646 1.00 0.00 C ATOM 11 O SER A 2 13.140 9.750 -5.676 1.00 0.00 O ATOM 12 CB SER A 2 15.837 10.042 -7.643 1.00 0.00 C ATOM 13 OG SER A 2 15.912 10.567 -8.957 1.00 0.00 O ATOM 0 H SER A 2 16.581 11.738 -5.733 1.00 0.00 H new ATOM 0 HA SER A 2 14.140 11.329 -7.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.837 9.983 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.443 9.026 -7.676 1.00 0.00 H new ATOM 0 HG SER A 2 15.918 9.831 -9.604 1.00 0.00 H new ATOM 19 N SER A 3 15.151 9.690 -4.669 1.00 0.00 N ATOM 20 CA SER A 3 14.690 8.873 -3.552 1.00 0.00 C ATOM 21 C SER A 3 14.105 7.554 -4.049 1.00 0.00 C ATOM 22 O SER A 3 13.066 7.102 -3.569 1.00 0.00 O ATOM 23 CB SER A 3 13.642 9.632 -2.736 1.00 0.00 C ATOM 24 OG SER A 3 13.576 9.141 -1.408 1.00 0.00 O ATOM 0 H SER A 3 16.139 9.941 -4.628 1.00 0.00 H new ATOM 0 HA SER A 3 15.548 8.654 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.886 10.694 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.666 9.535 -3.212 1.00 0.00 H new ATOM 0 HG SER A 3 12.900 9.643 -0.907 1.00 0.00 H new ATOM 30 N GLY A 4 14.782 6.941 -5.016 1.00 0.00 N ATOM 31 CA GLY A 4 14.315 5.680 -5.563 1.00 0.00 C ATOM 32 C GLY A 4 13.801 5.819 -6.983 1.00 0.00 C ATOM 33 O GLY A 4 12.608 6.028 -7.200 1.00 0.00 O ATOM 0 H GLY A 4 15.645 7.295 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.129 4.955 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.521 5.284 -4.930 1.00 0.00 H new ATOM 37 N SER A 5 14.704 5.704 -7.951 1.00 0.00 N ATOM 38 CA SER A 5 14.336 5.824 -9.357 1.00 0.00 C ATOM 39 C SER A 5 13.852 4.486 -9.908 1.00 0.00 C ATOM 40 O SER A 5 12.807 4.410 -10.554 1.00 0.00 O ATOM 41 CB SER A 5 15.527 6.325 -10.177 1.00 0.00 C ATOM 42 OG SER A 5 15.857 7.659 -9.833 1.00 0.00 O ATOM 0 H SER A 5 15.695 5.528 -7.788 1.00 0.00 H new ATOM 0 HA SER A 5 13.522 6.545 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.388 5.678 -10.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.291 6.268 -11.240 1.00 0.00 H new ATOM 0 HG SER A 5 16.622 7.956 -10.369 1.00 0.00 H new ATOM 48 N SER A 6 14.620 3.433 -9.646 1.00 0.00 N ATOM 49 CA SER A 6 14.272 2.098 -10.118 1.00 0.00 C ATOM 50 C SER A 6 14.187 1.115 -8.954 1.00 0.00 C ATOM 51 O SER A 6 15.175 0.477 -8.592 1.00 0.00 O ATOM 52 CB SER A 6 15.303 1.610 -11.138 1.00 0.00 C ATOM 53 OG SER A 6 15.114 2.237 -12.395 1.00 0.00 O ATOM 0 H SER A 6 15.487 3.479 -9.110 1.00 0.00 H new ATOM 0 HA SER A 6 13.294 2.152 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.308 1.818 -10.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.223 0.529 -11.252 1.00 0.00 H new ATOM 0 HG SER A 6 15.786 1.909 -13.028 1.00 0.00 H new ATOM 59 N GLY A 7 12.998 0.999 -8.371 1.00 0.00 N ATOM 60 CA GLY A 7 12.804 0.093 -7.254 1.00 0.00 C ATOM 61 C GLY A 7 13.525 0.554 -6.003 1.00 0.00 C ATOM 62 O GLY A 7 12.999 1.361 -5.238 1.00 0.00 O ATOM 0 H GLY A 7 12.165 1.516 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.738 0.003 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.159 -0.900 -7.529 1.00 0.00 H new ATOM 66 N GLU A 8 14.732 0.038 -5.793 1.00 0.00 N ATOM 67 CA GLU A 8 15.524 0.400 -4.623 1.00 0.00 C ATOM 68 C GLU A 8 14.817 -0.018 -3.337 1.00 0.00 C ATOM 69 O GLU A 8 14.989 0.608 -2.290 1.00 0.00 O ATOM 70 CB GLU A 8 15.790 1.907 -4.606 1.00 0.00 C ATOM 71 CG GLU A 8 16.966 2.327 -5.471 1.00 0.00 C ATOM 72 CD GLU A 8 17.652 3.578 -4.955 1.00 0.00 C ATOM 73 OE1 GLU A 8 18.255 3.516 -3.864 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.585 4.617 -5.644 1.00 0.00 O ATOM 0 H GLU A 8 15.182 -0.631 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 8 16.475 -0.129 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.895 2.429 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.974 2.223 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.689 1.513 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.619 2.501 -6.490 1.00 0.00 H new ATOM 81 N HIS A 9 14.022 -1.079 -3.424 1.00 0.00 N ATOM 82 CA HIS A 9 13.289 -1.581 -2.267 1.00 0.00 C ATOM 83 C HIS A 9 14.153 -1.529 -1.011 1.00 0.00 C ATOM 84 O HIS A 9 15.103 -2.298 -0.867 1.00 0.00 O ATOM 85 CB HIS A 9 12.819 -3.015 -2.518 1.00 0.00 C ATOM 86 CG HIS A 9 13.871 -3.893 -3.120 1.00 0.00 C ATOM 87 ND1 HIS A 9 14.809 -4.569 -2.368 1.00 0.00 N ATOM 88 CD2 HIS A 9 14.130 -4.207 -4.411 1.00 0.00 C ATOM 89 CE1 HIS A 9 15.600 -5.259 -3.170 1.00 0.00 C ATOM 90 NE2 HIS A 9 15.209 -5.057 -4.416 1.00 0.00 N ATOM 0 H HIS A 9 13.869 -1.608 -4.283 1.00 0.00 H new ATOM 0 HA HIS A 9 12.419 -0.942 -2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.490 -3.451 -1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.953 -2.994 -3.179 1.00 0.00 H new ATOM 0 HD1 HIS A 9 14.881 -4.541 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.589 -3.855 -5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.426 -5.882 -2.860 1.00 0.00 H new ATOM 99 N GLY A 10 13.818 -0.616 -0.105 1.00 0.00 N ATOM 100 CA GLY A 10 14.574 -0.480 1.126 1.00 0.00 C ATOM 101 C GLY A 10 14.306 0.836 1.829 1.00 0.00 C ATOM 102 O GLY A 10 14.017 0.861 3.026 1.00 0.00 O ATOM 0 H GLY A 10 13.036 0.032 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.324 -1.303 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.638 -0.560 0.906 1.00 0.00 H new ATOM 106 N LEU A 11 14.404 1.932 1.085 1.00 0.00 N ATOM 107 CA LEU A 11 14.171 3.259 1.645 1.00 0.00 C ATOM 108 C LEU A 11 12.691 3.473 1.944 1.00 0.00 C ATOM 109 O LEU A 11 12.293 4.525 2.446 1.00 0.00 O ATOM 110 CB LEU A 11 14.668 4.336 0.679 1.00 0.00 C ATOM 111 CG LEU A 11 13.740 4.670 -0.489 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.214 3.398 -1.135 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.588 5.547 -0.020 1.00 0.00 C ATOM 0 H LEU A 11 14.643 1.928 0.093 1.00 0.00 H new ATOM 0 HA LEU A 11 14.726 3.333 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.848 5.249 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.629 4.017 0.274 1.00 0.00 H new ATOM 0 HG LEU A 11 14.312 5.222 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.555 3.657 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.050 2.806 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.659 2.818 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.937 5.775 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.018 5.020 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.982 6.474 0.395 1.00 0.00 H new ATOM 125 N LEU A 12 11.879 2.467 1.635 1.00 0.00 N ATOM 126 CA LEU A 12 10.442 2.543 1.872 1.00 0.00 C ATOM 127 C LEU A 12 10.144 2.708 3.359 1.00 0.00 C ATOM 128 O LEU A 12 9.473 3.656 3.767 1.00 0.00 O ATOM 129 CB LEU A 12 9.750 1.288 1.337 1.00 0.00 C ATOM 130 CG LEU A 12 9.385 1.304 -0.148 1.00 0.00 C ATOM 131 CD1 LEU A 12 9.001 -0.091 -0.617 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.254 2.288 -0.409 1.00 0.00 C ATOM 0 H LEU A 12 12.192 1.589 1.220 1.00 0.00 H new ATOM 0 HA LEU A 12 10.057 3.415 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.400 0.433 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.839 1.126 1.913 1.00 0.00 H new ATOM 0 HG LEU A 12 10.258 1.628 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.744 -0.061 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.841 -0.770 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.142 -0.444 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.008 2.286 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.377 1.995 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.566 3.289 -0.111 1.00 0.00 H new ATOM 144 N VAL A 13 10.649 1.779 4.165 1.00 0.00 N ATOM 145 CA VAL A 13 10.440 1.823 5.607 1.00 0.00 C ATOM 146 C VAL A 13 11.069 3.071 6.216 1.00 0.00 C ATOM 147 O VAL A 13 10.612 3.571 7.245 1.00 0.00 O ATOM 148 CB VAL A 13 11.026 0.577 6.297 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.210 -0.659 5.950 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.485 0.390 5.909 1.00 0.00 C ATOM 0 H VAL A 13 11.206 0.987 3.843 1.00 0.00 H new ATOM 0 HA VAL A 13 9.363 1.847 5.770 1.00 0.00 H new ATOM 0 HB VAL A 13 10.977 0.724 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.639 -1.529 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.181 -0.521 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.224 -0.813 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.883 -0.495 6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.561 0.265 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.058 1.266 6.214 1.00 0.00 H new ATOM 160 N HIS A 14 12.120 3.571 5.574 1.00 0.00 N ATOM 161 CA HIS A 14 12.812 4.762 6.052 1.00 0.00 C ATOM 162 C HIS A 14 11.944 6.004 5.872 1.00 0.00 C ATOM 163 O HIS A 14 11.620 6.694 6.839 1.00 0.00 O ATOM 164 CB HIS A 14 14.137 4.941 5.310 1.00 0.00 C ATOM 165 CG HIS A 14 15.227 4.043 5.807 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.838 4.208 7.033 1.00 0.00 N ATOM 167 CD2 HIS A 14 15.816 2.965 5.238 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.755 3.272 7.195 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.762 2.504 6.120 1.00 0.00 N ATOM 0 H HIS A 14 12.511 3.170 4.722 1.00 0.00 H new ATOM 0 HA HIS A 14 13.014 4.632 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.978 4.752 4.248 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.460 5.978 5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.585 2.546 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.391 3.154 8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.371 1.700 5.970 1.00 0.00 H new ATOM 178 N LYS A 15 11.570 6.283 4.628 1.00 0.00 N ATOM 179 CA LYS A 15 10.739 7.441 4.320 1.00 0.00 C ATOM 180 C LYS A 15 9.292 7.199 4.737 1.00 0.00 C ATOM 181 O LYS A 15 8.658 6.245 4.287 1.00 0.00 O ATOM 182 CB LYS A 15 10.803 7.757 2.824 1.00 0.00 C ATOM 183 CG LYS A 15 9.816 8.825 2.385 1.00 0.00 C ATOM 184 CD LYS A 15 9.423 8.655 0.927 1.00 0.00 C ATOM 185 CE LYS A 15 8.686 9.878 0.402 1.00 0.00 C ATOM 186 NZ LYS A 15 8.633 9.898 -1.086 1.00 0.00 N ATOM 0 H LYS A 15 11.829 5.723 3.816 1.00 0.00 H new ATOM 0 HA LYS A 15 11.123 8.292 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.813 8.082 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.612 6.844 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.925 8.778 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.256 9.811 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.316 8.481 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.790 7.774 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.672 9.890 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.180 10.781 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.123 10.747 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.600 9.912 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.139 9.049 -1.427 1.00 0.00 H new ATOM 200 N ALA A 16 8.776 8.069 5.599 1.00 0.00 N ATOM 201 CA ALA A 16 7.403 7.951 6.074 1.00 0.00 C ATOM 202 C ALA A 16 6.460 7.566 4.938 1.00 0.00 C ATOM 203 O ALA A 16 6.561 8.091 3.829 1.00 0.00 O ATOM 204 CB ALA A 16 6.953 9.254 6.717 1.00 0.00 C ATOM 0 H ALA A 16 9.288 8.863 5.983 1.00 0.00 H new ATOM 0 HA ALA A 16 7.371 7.159 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.926 9.151 7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.602 9.487 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.008 10.059 5.984 1.00 0.00 H new ATOM 210 N VAL A 17 5.544 6.646 5.222 1.00 0.00 N ATOM 211 CA VAL A 17 4.583 6.191 4.224 1.00 0.00 C ATOM 212 C VAL A 17 3.641 7.318 3.814 1.00 0.00 C ATOM 213 O VAL A 17 3.207 7.391 2.665 1.00 0.00 O ATOM 214 CB VAL A 17 3.750 5.006 4.747 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.591 4.711 3.806 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.628 3.776 4.926 1.00 0.00 C ATOM 0 H VAL A 17 5.447 6.201 6.135 1.00 0.00 H new ATOM 0 HA VAL A 17 5.157 5.867 3.356 1.00 0.00 H new ATOM 0 HB VAL A 17 3.338 5.275 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.014 3.871 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.949 5.589 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.979 4.462 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.023 2.948 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.071 3.502 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.420 3.995 5.642 1.00 0.00 H new ATOM 226 N ASP A 18 3.330 8.196 4.762 1.00 0.00 N ATOM 227 CA ASP A 18 2.441 9.321 4.500 1.00 0.00 C ATOM 228 C ASP A 18 3.107 10.336 3.576 1.00 0.00 C ATOM 229 O ASP A 18 2.510 11.353 3.220 1.00 0.00 O ATOM 230 CB ASP A 18 2.036 9.996 5.812 1.00 0.00 C ATOM 231 CG ASP A 18 1.799 11.484 5.648 1.00 0.00 C ATOM 232 OD1 ASP A 18 0.875 11.859 4.897 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.537 12.274 6.273 1.00 0.00 O ATOM 0 H ASP A 18 3.681 8.150 5.719 1.00 0.00 H new ATOM 0 HA ASP A 18 1.547 8.938 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.129 9.527 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.816 9.835 6.556 1.00 0.00 H new ATOM 238 N LYS A 19 4.347 10.054 3.192 1.00 0.00 N ATOM 239 CA LYS A 19 5.095 10.941 2.309 1.00 0.00 C ATOM 240 C LYS A 19 5.292 10.304 0.937 1.00 0.00 C ATOM 241 O LYS A 19 5.878 10.910 0.040 1.00 0.00 O ATOM 242 CB LYS A 19 6.455 11.280 2.926 1.00 0.00 C ATOM 243 CG LYS A 19 6.431 12.517 3.807 1.00 0.00 C ATOM 244 CD LYS A 19 5.372 12.409 4.892 1.00 0.00 C ATOM 245 CE LYS A 19 5.396 13.617 5.816 1.00 0.00 C ATOM 246 NZ LYS A 19 6.658 13.689 6.603 1.00 0.00 N ATOM 0 H LYS A 19 4.856 9.218 3.479 1.00 0.00 H new ATOM 0 HA LYS A 19 4.520 11.859 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.799 10.430 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.181 11.428 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.410 12.657 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.237 13.397 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.387 12.320 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.536 11.502 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.283 14.527 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.546 13.570 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.550 14.384 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.867 12.755 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.439 13.978 5.980 1.00 0.00 H new ATOM 260 N TRP A 20 4.799 9.081 0.782 1.00 0.00 N ATOM 261 CA TRP A 20 4.920 8.364 -0.482 1.00 0.00 C ATOM 262 C TRP A 20 4.064 9.016 -1.562 1.00 0.00 C ATOM 263 O TRP A 20 3.312 9.953 -1.292 1.00 0.00 O ATOM 264 CB TRP A 20 4.510 6.901 -0.303 1.00 0.00 C ATOM 265 CG TRP A 20 5.415 6.139 0.618 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.463 6.640 1.336 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.352 4.741 0.918 1.00 0.00 C ATOM 268 NE1 TRP A 20 7.056 5.636 2.064 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.392 4.462 1.826 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.517 3.697 0.509 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.618 3.184 2.329 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.743 2.429 1.009 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.786 2.181 1.912 1.00 0.00 C ATOM 0 H TRP A 20 4.312 8.565 1.515 1.00 0.00 H new ATOM 0 HA TRP A 20 5.963 8.406 -0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.492 6.861 0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.500 6.412 -1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.779 7.673 1.332 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.860 5.747 2.681 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.710 3.878 -0.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.422 2.991 3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.105 1.615 0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.936 1.179 2.286 1.00 0.00 H new ATOM 284 N THR A 21 4.182 8.514 -2.788 1.00 0.00 N ATOM 285 CA THR A 21 3.419 9.049 -3.909 1.00 0.00 C ATOM 286 C THR A 21 2.630 7.949 -4.611 1.00 0.00 C ATOM 287 O THR A 21 2.930 6.764 -4.464 1.00 0.00 O ATOM 288 CB THR A 21 4.337 9.741 -4.934 1.00 0.00 C ATOM 289 OG1 THR A 21 5.447 8.893 -5.248 1.00 0.00 O ATOM 290 CG2 THR A 21 4.845 11.070 -4.395 1.00 0.00 C ATOM 0 H THR A 21 4.799 7.738 -3.029 1.00 0.00 H new ATOM 0 HA THR A 21 2.727 9.784 -3.499 1.00 0.00 H new ATOM 0 HB THR A 21 3.758 9.931 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.025 9.339 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.491 11.540 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.999 11.724 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.409 10.899 -3.478 1.00 0.00 H new ATOM 298 N THR A 22 1.619 8.349 -5.377 1.00 0.00 N ATOM 299 CA THR A 22 0.787 7.398 -6.102 1.00 0.00 C ATOM 300 C THR A 22 1.629 6.282 -6.710 1.00 0.00 C ATOM 301 O THR A 22 1.143 5.172 -6.924 1.00 0.00 O ATOM 302 CB THR A 22 -0.013 8.090 -7.221 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.411 9.400 -6.801 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.244 7.276 -7.590 1.00 0.00 C ATOM 0 H THR A 22 1.357 9.326 -5.511 1.00 0.00 H new ATOM 0 HA THR A 22 0.092 6.972 -5.379 1.00 0.00 H new ATOM 0 HB THR A 22 0.628 8.169 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.918 9.834 -7.519 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.793 7.785 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.937 6.289 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.885 7.169 -6.715 1.00 0.00 H new ATOM 312 N GLU A 23 2.894 6.585 -6.986 1.00 0.00 N ATOM 313 CA GLU A 23 3.803 5.607 -7.571 1.00 0.00 C ATOM 314 C GLU A 23 4.318 4.640 -6.508 1.00 0.00 C ATOM 315 O GLU A 23 4.055 3.440 -6.568 1.00 0.00 O ATOM 316 CB GLU A 23 4.980 6.312 -8.248 1.00 0.00 C ATOM 317 CG GLU A 23 5.553 5.543 -9.427 1.00 0.00 C ATOM 318 CD GLU A 23 6.633 6.316 -10.158 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.619 6.720 -9.506 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.493 6.517 -11.383 1.00 0.00 O ATOM 0 H GLU A 23 3.312 7.499 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 23 3.251 5.038 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.656 7.295 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.768 6.473 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.964 4.597 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.750 5.301 -10.123 1.00 0.00 H new ATOM 327 N GLU A 24 5.053 5.174 -5.538 1.00 0.00 N ATOM 328 CA GLU A 24 5.607 4.358 -4.463 1.00 0.00 C ATOM 329 C GLU A 24 4.529 3.475 -3.841 1.00 0.00 C ATOM 330 O GLU A 24 4.733 2.278 -3.638 1.00 0.00 O ATOM 331 CB GLU A 24 6.235 5.248 -3.389 1.00 0.00 C ATOM 332 CG GLU A 24 7.532 5.908 -3.827 1.00 0.00 C ATOM 333 CD GLU A 24 8.366 5.014 -4.724 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.851 3.971 -4.239 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.534 5.360 -5.913 1.00 0.00 O ATOM 0 H GLU A 24 5.279 6.167 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 24 6.378 3.716 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.521 6.022 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.425 4.649 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.304 6.835 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.114 6.177 -2.946 1.00 0.00 H new ATOM 342 N VAL A 25 3.382 4.075 -3.539 1.00 0.00 N ATOM 343 CA VAL A 25 2.272 3.344 -2.940 1.00 0.00 C ATOM 344 C VAL A 25 2.053 2.007 -3.640 1.00 0.00 C ATOM 345 O VAL A 25 1.929 0.968 -2.991 1.00 0.00 O ATOM 346 CB VAL A 25 0.967 4.160 -2.997 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.192 3.356 -2.426 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.130 5.477 -2.253 1.00 0.00 C ATOM 0 H VAL A 25 3.197 5.065 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 25 2.536 3.166 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 25 0.744 4.383 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.105 3.949 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.321 2.442 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.019 3.100 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.199 6.041 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.378 5.278 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.931 6.057 -2.712 1.00 0.00 H new ATOM 358 N VAL A 26 2.006 2.041 -4.968 1.00 0.00 N ATOM 359 CA VAL A 26 1.804 0.831 -5.757 1.00 0.00 C ATOM 360 C VAL A 26 3.046 -0.053 -5.736 1.00 0.00 C ATOM 361 O VAL A 26 2.947 -1.280 -5.740 1.00 0.00 O ATOM 362 CB VAL A 26 1.451 1.167 -7.218 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.336 -0.104 -8.045 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.162 1.973 -7.282 1.00 0.00 C ATOM 0 H VAL A 26 2.105 2.893 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 26 0.971 0.293 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 26 2.253 1.774 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.086 0.153 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.286 -0.638 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.554 -0.739 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.073 2.202 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.651 1.394 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.286 2.902 -6.725 1.00 0.00 H new ATOM 374 N LEU A 27 4.214 0.579 -5.713 1.00 0.00 N ATOM 375 CA LEU A 27 5.478 -0.150 -5.690 1.00 0.00 C ATOM 376 C LEU A 27 5.573 -1.036 -4.452 1.00 0.00 C ATOM 377 O LEU A 27 5.846 -2.232 -4.553 1.00 0.00 O ATOM 378 CB LEU A 27 6.654 0.827 -5.724 1.00 0.00 C ATOM 379 CG LEU A 27 7.171 1.207 -7.112 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.359 2.150 -6.999 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.551 -0.039 -7.899 1.00 0.00 C ATOM 0 H LEU A 27 4.313 1.594 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 27 5.518 -0.787 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.358 1.739 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.478 0.393 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 27 6.373 1.722 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.714 2.410 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.056 3.056 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.160 1.661 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.917 0.250 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.332 -0.581 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.676 -0.680 -8.011 1.00 0.00 H new ATOM 393 N TRP A 28 5.344 -0.442 -3.287 1.00 0.00 N ATOM 394 CA TRP A 28 5.403 -1.178 -2.029 1.00 0.00 C ATOM 395 C TRP A 28 4.448 -2.366 -2.049 1.00 0.00 C ATOM 396 O TRP A 28 4.785 -3.454 -1.581 1.00 0.00 O ATOM 397 CB TRP A 28 5.063 -0.254 -0.858 1.00 0.00 C ATOM 398 CG TRP A 28 4.658 -0.993 0.382 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.489 -1.532 1.323 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.323 -1.274 0.815 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.750 -2.131 2.314 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.419 -1.986 2.026 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.055 -0.992 0.298 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.295 -2.420 2.725 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.942 -1.423 0.993 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.067 -2.130 2.196 1.00 0.00 C ATOM 0 H TRP A 28 5.116 0.547 -3.187 1.00 0.00 H new ATOM 0 HA TRP A 28 6.418 -1.554 -1.903 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.928 0.371 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.255 0.415 -1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.568 -1.493 1.292 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.131 -2.607 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.948 -0.447 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.390 -2.966 3.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.042 -1.211 0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.177 -2.452 2.716 1.00 0.00 H new ATOM 417 N LEU A 29 3.255 -2.152 -2.595 1.00 0.00 N ATOM 418 CA LEU A 29 2.251 -3.207 -2.676 1.00 0.00 C ATOM 419 C LEU A 29 2.626 -4.235 -3.739 1.00 0.00 C ATOM 420 O LEU A 29 2.235 -5.399 -3.655 1.00 0.00 O ATOM 421 CB LEU A 29 0.879 -2.609 -2.991 1.00 0.00 C ATOM 422 CG LEU A 29 -0.221 -3.607 -3.355 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.839 -4.202 -2.100 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.286 -2.938 -4.211 1.00 0.00 C ATOM 0 H LEU A 29 2.960 -1.258 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 29 2.209 -3.709 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.548 -2.034 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.992 -1.906 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 29 0.226 -4.416 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.620 -4.910 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.070 -4.718 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.271 -3.405 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.061 -3.663 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.729 -2.109 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.832 -2.562 -5.128 1.00 0.00 H new ATOM 436 N GLU A 30 3.388 -3.797 -4.736 1.00 0.00 N ATOM 437 CA GLU A 30 3.817 -4.681 -5.814 1.00 0.00 C ATOM 438 C GLU A 30 4.950 -5.592 -5.352 1.00 0.00 C ATOM 439 O GLU A 30 5.534 -6.326 -6.150 1.00 0.00 O ATOM 440 CB GLU A 30 4.267 -3.862 -7.026 1.00 0.00 C ATOM 441 CG GLU A 30 3.128 -3.460 -7.947 1.00 0.00 C ATOM 442 CD GLU A 30 3.612 -3.003 -9.309 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.983 -3.869 -10.129 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.620 -1.779 -9.555 1.00 0.00 O ATOM 0 H GLU A 30 3.721 -2.836 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 30 2.968 -5.303 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.776 -2.963 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.995 -4.440 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.451 -4.305 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.555 -2.658 -7.481 1.00 0.00 H new ATOM 451 N GLN A 31 5.255 -5.539 -4.060 1.00 0.00 N ATOM 452 CA GLN A 31 6.319 -6.358 -3.492 1.00 0.00 C ATOM 453 C GLN A 31 5.746 -7.451 -2.596 1.00 0.00 C ATOM 454 O GLN A 31 6.329 -8.528 -2.462 1.00 0.00 O ATOM 455 CB GLN A 31 7.292 -5.487 -2.695 1.00 0.00 C ATOM 456 CG GLN A 31 8.275 -4.720 -3.565 1.00 0.00 C ATOM 457 CD GLN A 31 9.081 -3.705 -2.779 1.00 0.00 C ATOM 458 OE1 GLN A 31 10.167 -4.006 -2.284 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.551 -2.493 -2.659 1.00 0.00 N ATOM 0 H GLN A 31 4.780 -4.938 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 31 6.856 -6.832 -4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.723 -4.779 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.849 -6.119 -2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.954 -5.424 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.730 -4.209 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.648 -2.287 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.047 -1.768 -2.140 1.00 0.00 H new ATOM 468 N LEU A 32 4.601 -7.168 -1.985 1.00 0.00 N ATOM 469 CA LEU A 32 3.948 -8.127 -1.101 1.00 0.00 C ATOM 470 C LEU A 32 3.561 -9.392 -1.861 1.00 0.00 C ATOM 471 O LEU A 32 3.477 -10.474 -1.282 1.00 0.00 O ATOM 472 CB LEU A 32 2.705 -7.501 -0.465 1.00 0.00 C ATOM 473 CG LEU A 32 2.819 -6.024 -0.083 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.584 -5.575 0.682 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.076 -5.781 0.739 1.00 0.00 C ATOM 0 H LEU A 32 4.106 -6.282 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 32 4.653 -8.398 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.871 -7.613 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.454 -8.069 0.431 1.00 0.00 H new ATOM 0 HG LEU A 32 2.889 -5.436 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.682 -4.522 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.700 -5.712 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.483 -6.169 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.141 -4.725 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.037 -6.380 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.952 -6.064 0.156 1.00 0.00 H new ATOM 487 N GLY A 33 3.330 -9.248 -3.162 1.00 0.00 N ATOM 488 CA GLY A 33 2.957 -10.387 -3.980 1.00 0.00 C ATOM 489 C GLY A 33 2.645 -9.996 -5.411 1.00 0.00 C ATOM 490 O GLY A 33 2.451 -8.822 -5.728 1.00 0.00 O ATOM 0 H GLY A 33 3.395 -8.363 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.768 -11.116 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.086 -10.875 -3.542 1.00 0.00 H new ATOM 494 N PRO A 34 2.594 -10.995 -6.304 1.00 0.00 N ATOM 495 CA PRO A 34 2.305 -10.774 -7.724 1.00 0.00 C ATOM 496 C PRO A 34 0.858 -10.356 -7.963 1.00 0.00 C ATOM 497 O PRO A 34 0.547 -9.702 -8.958 1.00 0.00 O ATOM 498 CB PRO A 34 2.579 -12.139 -8.359 1.00 0.00 C ATOM 499 CG PRO A 34 2.379 -13.118 -7.254 1.00 0.00 C ATOM 500 CD PRO A 34 2.815 -12.418 -5.997 1.00 0.00 C ATOM 0 HA PRO A 34 2.907 -9.966 -8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.899 -12.334 -9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.592 -12.194 -8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.335 -13.424 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.966 -14.021 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.230 -12.739 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.861 -12.621 -5.766 1.00 0.00 H new ATOM 508 N TRP A 35 -0.022 -10.738 -7.045 1.00 0.00 N ATOM 509 CA TRP A 35 -1.437 -10.402 -7.156 1.00 0.00 C ATOM 510 C TRP A 35 -1.654 -8.901 -7.003 1.00 0.00 C ATOM 511 O TRP A 35 -2.707 -8.377 -7.364 1.00 0.00 O ATOM 512 CB TRP A 35 -2.246 -11.157 -6.099 1.00 0.00 C ATOM 513 CG TRP A 35 -1.656 -11.069 -4.725 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.058 -12.077 -4.023 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.609 -9.910 -3.885 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.642 -11.614 -2.798 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.968 -10.288 -2.689 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.045 -8.590 -4.027 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.755 -9.393 -1.644 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.833 -7.703 -2.989 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.192 -8.107 -1.810 1.00 0.00 C ATOM 0 H TRP A 35 0.219 -11.281 -6.216 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.779 -10.700 -8.147 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.261 -10.760 -6.077 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.320 -12.205 -6.389 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.931 -13.089 -4.379 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.167 -12.168 -2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.539 -8.269 -4.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.262 -9.703 -0.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.167 -6.681 -3.088 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.040 -7.390 -1.017 1.00 0.00 H new ATOM 532 N ALA A 36 -0.651 -8.214 -6.466 1.00 0.00 N ATOM 533 CA ALA A 36 -0.732 -6.772 -6.268 1.00 0.00 C ATOM 534 C ALA A 36 -1.034 -6.054 -7.579 1.00 0.00 C ATOM 535 O ALA A 36 -1.677 -5.005 -7.589 1.00 0.00 O ATOM 536 CB ALA A 36 0.563 -6.249 -5.663 1.00 0.00 C ATOM 0 H ALA A 36 0.227 -8.633 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.550 -6.570 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.489 -5.171 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.736 -6.731 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.393 -6.470 -6.334 1.00 0.00 H new ATOM 542 N SER A 37 -0.565 -6.626 -8.683 1.00 0.00 N ATOM 543 CA SER A 37 -0.781 -6.038 -10.000 1.00 0.00 C ATOM 544 C SER A 37 -2.254 -6.108 -10.391 1.00 0.00 C ATOM 545 O SER A 37 -2.676 -5.501 -11.376 1.00 0.00 O ATOM 546 CB SER A 37 0.072 -6.754 -11.048 1.00 0.00 C ATOM 547 OG SER A 37 -0.342 -6.416 -12.360 1.00 0.00 O ATOM 0 H SER A 37 -0.033 -7.496 -8.692 1.00 0.00 H new ATOM 0 HA SER A 37 -0.484 -4.990 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.120 -6.486 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.002 -7.832 -10.906 1.00 0.00 H new ATOM 0 HG SER A 37 -1.054 -5.744 -12.315 1.00 0.00 H new ATOM 553 N LEU A 38 -3.031 -6.854 -9.613 1.00 0.00 N ATOM 554 CA LEU A 38 -4.457 -7.006 -9.877 1.00 0.00 C ATOM 555 C LEU A 38 -5.254 -5.880 -9.225 1.00 0.00 C ATOM 556 O LEU A 38 -6.423 -5.666 -9.547 1.00 0.00 O ATOM 557 CB LEU A 38 -4.950 -8.359 -9.363 1.00 0.00 C ATOM 558 CG LEU A 38 -4.183 -9.585 -9.858 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.458 -10.785 -8.964 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.551 -9.898 -11.301 1.00 0.00 C ATOM 0 H LEU A 38 -2.697 -7.363 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.609 -6.957 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.912 -8.347 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.997 -8.472 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.117 -9.363 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.903 -11.648 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.143 -10.559 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.525 -11.009 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.995 -10.774 -11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.620 -10.099 -11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.301 -9.046 -11.933 1.00 0.00 H new ATOM 572 N TYR A 39 -4.613 -5.162 -8.309 1.00 0.00 N ATOM 573 CA TYR A 39 -5.262 -4.058 -7.612 1.00 0.00 C ATOM 574 C TYR A 39 -4.569 -2.735 -7.922 1.00 0.00 C ATOM 575 O TYR A 39 -5.172 -1.667 -7.820 1.00 0.00 O ATOM 576 CB TYR A 39 -5.257 -4.308 -6.102 1.00 0.00 C ATOM 577 CG TYR A 39 -5.825 -5.652 -5.709 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.054 -6.806 -5.791 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.133 -5.770 -5.256 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.570 -8.036 -5.434 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.656 -6.996 -4.894 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.871 -8.126 -4.985 1.00 0.00 C ATOM 583 OH TYR A 39 -7.389 -9.350 -4.627 1.00 0.00 O ATOM 0 H TYR A 39 -3.645 -5.325 -8.032 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.293 -3.997 -7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.234 -4.234 -5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.831 -3.523 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.034 -6.739 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.752 -4.888 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.958 -8.923 -5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.674 -7.069 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.317 -9.239 -4.332 1.00 0.00 H new ATOM 593 N ARG A 40 -3.298 -2.815 -8.302 1.00 0.00 N ATOM 594 CA ARG A 40 -2.522 -1.625 -8.628 1.00 0.00 C ATOM 595 C ARG A 40 -3.371 -0.614 -9.392 1.00 0.00 C ATOM 596 O ARG A 40 -3.356 0.579 -9.089 1.00 0.00 O ATOM 597 CB ARG A 40 -1.292 -2.003 -9.456 1.00 0.00 C ATOM 598 CG ARG A 40 -1.592 -2.213 -10.931 1.00 0.00 C ATOM 599 CD ARG A 40 -0.399 -2.808 -11.663 1.00 0.00 C ATOM 600 NE ARG A 40 -0.350 -2.389 -13.061 1.00 0.00 N ATOM 601 CZ ARG A 40 -0.006 -1.166 -13.450 1.00 0.00 C ATOM 602 NH1 ARG A 40 0.317 -0.247 -12.550 1.00 0.00 N ATOM 603 NH2 ARG A 40 0.015 -0.860 -14.741 1.00 0.00 N ATOM 0 H ARG A 40 -2.784 -3.691 -8.392 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.196 -1.168 -7.694 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.541 -1.219 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.857 -2.916 -9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.452 -2.874 -11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.863 -1.261 -11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.521 -2.507 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.448 -3.896 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.593 -3.073 -13.778 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.302 -0.478 -11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.581 0.691 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.233 -1.564 -15.436 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.279 0.079 -15.038 1.00 0.00 H new ATOM 617 N ASP A 41 -4.110 -1.099 -10.383 1.00 0.00 N ATOM 618 CA ASP A 41 -4.967 -0.238 -11.190 1.00 0.00 C ATOM 619 C ASP A 41 -5.865 0.620 -10.304 1.00 0.00 C ATOM 620 O ASP A 41 -6.060 1.807 -10.565 1.00 0.00 O ATOM 621 CB ASP A 41 -5.820 -1.079 -12.141 1.00 0.00 C ATOM 622 CG ASP A 41 -6.168 -0.336 -13.417 1.00 0.00 C ATOM 623 OD1 ASP A 41 -5.342 0.483 -13.870 1.00 0.00 O ATOM 624 OD2 ASP A 41 -7.267 -0.574 -13.961 1.00 0.00 O ATOM 0 H ASP A 41 -4.133 -2.084 -10.647 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.328 0.423 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.284 -1.995 -12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.739 -1.376 -11.635 1.00 0.00 H new ATOM 629 N ARG A 42 -6.411 0.010 -9.257 1.00 0.00 N ATOM 630 CA ARG A 42 -7.290 0.717 -8.334 1.00 0.00 C ATOM 631 C ARG A 42 -6.525 1.796 -7.573 1.00 0.00 C ATOM 632 O ARG A 42 -7.092 2.820 -7.190 1.00 0.00 O ATOM 633 CB ARG A 42 -7.925 -0.265 -7.347 1.00 0.00 C ATOM 634 CG ARG A 42 -8.594 -1.454 -8.017 1.00 0.00 C ATOM 635 CD ARG A 42 -9.562 -2.152 -7.074 1.00 0.00 C ATOM 636 NE ARG A 42 -10.103 -3.378 -7.655 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.080 -3.397 -8.554 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.620 -2.262 -8.974 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.518 -4.553 -9.036 1.00 0.00 N ATOM 0 H ARG A 42 -6.260 -0.972 -9.027 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.077 1.196 -8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.157 -0.628 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.663 0.265 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.128 -1.119 -8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.834 -2.161 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.052 -2.388 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.380 -1.475 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.708 -4.269 -7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.285 -1.371 -8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.370 -2.279 -9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.104 -5.429 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.269 -4.566 -9.727 1.00 0.00 H new ATOM 653 N PHE A 43 -5.236 1.559 -7.358 1.00 0.00 N ATOM 654 CA PHE A 43 -4.393 2.510 -6.641 1.00 0.00 C ATOM 655 C PHE A 43 -4.100 3.734 -7.504 1.00 0.00 C ATOM 656 O PHE A 43 -4.237 4.872 -7.054 1.00 0.00 O ATOM 657 CB PHE A 43 -3.082 1.844 -6.219 1.00 0.00 C ATOM 658 CG PHE A 43 -3.219 0.966 -5.008 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.113 -0.092 -5.001 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.453 1.199 -3.877 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.241 -0.901 -3.887 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.577 0.394 -2.760 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.471 -0.659 -2.766 1.00 0.00 C ATOM 0 H PHE A 43 -4.752 0.717 -7.670 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.930 2.835 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.703 1.248 -7.049 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.340 2.616 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.717 -0.287 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.751 2.019 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.943 -1.722 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.976 0.588 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.568 -1.292 -1.896 1.00 0.00 H new ATOM 673 N LEU A 44 -3.695 3.492 -8.746 1.00 0.00 N ATOM 674 CA LEU A 44 -3.381 4.574 -9.673 1.00 0.00 C ATOM 675 C LEU A 44 -4.634 5.370 -10.024 1.00 0.00 C ATOM 676 O LEU A 44 -4.670 6.591 -9.867 1.00 0.00 O ATOM 677 CB LEU A 44 -2.746 4.013 -10.946 1.00 0.00 C ATOM 678 CG LEU A 44 -1.334 3.445 -10.798 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.444 4.420 -10.043 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.373 2.098 -10.091 1.00 0.00 C ATOM 0 H LEU A 44 -3.576 2.556 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.672 5.243 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.393 3.227 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.721 4.805 -11.695 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.915 3.298 -11.793 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.557 3.999 -9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.391 5.362 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.859 4.598 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.360 1.708 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.811 2.220 -9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.976 1.400 -10.671 1.00 0.00 H new ATOM 692 N SER A 45 -5.660 4.671 -10.499 1.00 0.00 N ATOM 693 CA SER A 45 -6.915 5.313 -10.874 1.00 0.00 C ATOM 694 C SER A 45 -7.432 6.197 -9.743 1.00 0.00 C ATOM 695 O SER A 45 -7.843 7.334 -9.969 1.00 0.00 O ATOM 696 CB SER A 45 -7.964 4.259 -11.233 1.00 0.00 C ATOM 697 OG SER A 45 -8.909 4.774 -12.155 1.00 0.00 O ATOM 0 H SER A 45 -5.647 3.660 -10.633 1.00 0.00 H new ATOM 0 HA SER A 45 -6.728 5.940 -11.745 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.474 3.384 -11.660 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.476 3.928 -10.329 1.00 0.00 H new ATOM 0 HG SER A 45 -9.568 4.081 -12.370 1.00 0.00 H new ATOM 703 N GLU A 46 -7.408 5.663 -8.525 1.00 0.00 N ATOM 704 CA GLU A 46 -7.876 6.403 -7.359 1.00 0.00 C ATOM 705 C GLU A 46 -6.752 7.247 -6.764 1.00 0.00 C ATOM 706 O GLU A 46 -6.896 7.817 -5.682 1.00 0.00 O ATOM 707 CB GLU A 46 -8.420 5.440 -6.301 1.00 0.00 C ATOM 708 CG GLU A 46 -9.731 4.781 -6.696 1.00 0.00 C ATOM 709 CD GLU A 46 -10.830 5.788 -6.974 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.823 6.385 -8.071 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.697 5.979 -6.095 1.00 0.00 O ATOM 0 H GLU A 46 -7.070 4.723 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.677 7.069 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.677 4.666 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.563 5.983 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.572 4.168 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.051 4.111 -5.898 1.00 0.00 H new ATOM 718 N ARG A 47 -5.634 7.321 -7.478 1.00 0.00 N ATOM 719 CA ARG A 47 -4.485 8.094 -7.020 1.00 0.00 C ATOM 720 C ARG A 47 -4.290 7.938 -5.515 1.00 0.00 C ATOM 721 O ARG A 47 -4.074 8.918 -4.802 1.00 0.00 O ATOM 722 CB ARG A 47 -4.664 9.571 -7.373 1.00 0.00 C ATOM 723 CG ARG A 47 -4.685 9.843 -8.868 1.00 0.00 C ATOM 724 CD ARG A 47 -6.070 9.621 -9.455 1.00 0.00 C ATOM 725 NE ARG A 47 -6.929 10.791 -9.291 1.00 0.00 N ATOM 726 CZ ARG A 47 -8.053 10.979 -9.973 1.00 0.00 C ATOM 727 NH1 ARG A 47 -8.452 10.079 -10.861 1.00 0.00 N ATOM 728 NH2 ARG A 47 -8.780 12.070 -9.768 1.00 0.00 N ATOM 0 H ARG A 47 -5.499 6.856 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.597 7.713 -7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.595 9.930 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.856 10.145 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.369 10.869 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.968 9.191 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.980 9.383 -10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.534 8.760 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.650 11.503 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.895 9.240 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.316 10.226 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.476 12.765 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.643 12.214 -10.292 1.00 0.00 H new ATOM 742 N VAL A 48 -4.369 6.700 -5.038 1.00 0.00 N ATOM 743 CA VAL A 48 -4.201 6.416 -3.618 1.00 0.00 C ATOM 744 C VAL A 48 -2.772 6.694 -3.167 1.00 0.00 C ATOM 745 O VAL A 48 -1.891 5.847 -3.306 1.00 0.00 O ATOM 746 CB VAL A 48 -4.555 4.953 -3.292 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.470 4.703 -1.794 1.00 0.00 C ATOM 748 CG2 VAL A 48 -5.940 4.610 -3.820 1.00 0.00 C ATOM 0 H VAL A 48 -4.548 5.878 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.883 7.075 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.831 4.304 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.724 3.664 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.457 4.906 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.169 5.359 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.174 3.573 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.678 5.265 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.961 4.747 -4.901 1.00 0.00 H new ATOM 758 N ASN A 49 -2.549 7.888 -2.625 1.00 0.00 N ATOM 759 CA ASN A 49 -1.226 8.278 -2.154 1.00 0.00 C ATOM 760 C ASN A 49 -0.926 7.653 -0.795 1.00 0.00 C ATOM 761 O ASN A 49 -1.838 7.290 -0.052 1.00 0.00 O ATOM 762 CB ASN A 49 -1.124 9.802 -2.060 1.00 0.00 C ATOM 763 CG ASN A 49 -2.019 10.376 -0.979 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.685 10.335 0.206 1.00 0.00 O ATOM 765 ND2 ASN A 49 -3.164 10.914 -1.382 1.00 0.00 N ATOM 0 H ASN A 49 -3.268 8.601 -2.502 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.491 7.914 -2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.090 10.082 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.392 10.241 -3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.807 11.315 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.400 10.926 -2.374 1.00 0.00 H new ATOM 772 N GLY A 50 0.359 7.530 -0.475 1.00 0.00 N ATOM 773 CA GLY A 50 0.756 6.949 0.794 1.00 0.00 C ATOM 774 C GLY A 50 -0.154 7.366 1.932 1.00 0.00 C ATOM 775 O GLY A 50 -0.758 6.522 2.594 1.00 0.00 O ATOM 0 H GLY A 50 1.132 7.823 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.753 5.862 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.779 7.248 1.023 1.00 0.00 H new ATOM 779 N ARG A 51 -0.252 8.671 2.162 1.00 0.00 N ATOM 780 CA ARG A 51 -1.092 9.198 3.231 1.00 0.00 C ATOM 781 C ARG A 51 -2.458 8.517 3.234 1.00 0.00 C ATOM 782 O ARG A 51 -2.900 7.995 4.258 1.00 0.00 O ATOM 783 CB ARG A 51 -1.265 10.710 3.074 1.00 0.00 C ATOM 784 CG ARG A 51 -1.632 11.418 4.368 1.00 0.00 C ATOM 785 CD ARG A 51 -3.127 11.344 4.639 1.00 0.00 C ATOM 786 NE ARG A 51 -3.570 12.392 5.554 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.368 12.356 6.866 1.00 0.00 C ATOM 788 NH1 ARG A 51 -2.733 11.329 7.415 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.801 13.348 7.633 1.00 0.00 N ATOM 0 H ARG A 51 0.240 9.383 1.622 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.600 8.992 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.339 11.135 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.039 10.904 2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.088 10.967 5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.322 12.462 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.671 11.431 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.371 10.369 5.060 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.062 13.196 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.398 10.564 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.579 11.304 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.290 14.140 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.645 13.319 8.641 1.00 0.00 H new ATOM 803 N LEU A 52 -3.121 8.527 2.083 1.00 0.00 N ATOM 804 CA LEU A 52 -4.437 7.911 1.953 1.00 0.00 C ATOM 805 C LEU A 52 -4.384 6.432 2.321 1.00 0.00 C ATOM 806 O LEU A 52 -5.309 5.901 2.938 1.00 0.00 O ATOM 807 CB LEU A 52 -4.959 8.074 0.524 1.00 0.00 C ATOM 808 CG LEU A 52 -6.339 7.479 0.242 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.344 7.943 1.284 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.806 7.855 -1.157 1.00 0.00 C ATOM 0 H LEU A 52 -2.769 8.955 1.226 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.116 8.414 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.989 9.138 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.242 7.617 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.264 6.393 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.320 7.509 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.017 7.623 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.417 9.030 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.790 7.423 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.865 8.940 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.098 7.471 -1.892 1.00 0.00 H new ATOM 822 N LEU A 53 -3.296 5.771 1.940 1.00 0.00 N ATOM 823 CA LEU A 53 -3.121 4.352 2.233 1.00 0.00 C ATOM 824 C LEU A 53 -3.153 4.098 3.736 1.00 0.00 C ATOM 825 O LEU A 53 -3.700 3.095 4.196 1.00 0.00 O ATOM 826 CB LEU A 53 -1.801 3.850 1.646 1.00 0.00 C ATOM 827 CG LEU A 53 -1.541 2.348 1.767 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.549 1.563 0.942 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.121 2.016 1.334 1.00 0.00 C ATOM 0 H LEU A 53 -2.522 6.194 1.428 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.946 3.807 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.770 4.120 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.984 4.380 2.135 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.657 2.062 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.348 0.496 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.557 1.777 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.466 1.852 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.046 0.943 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.023 2.317 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.587 2.550 1.968 1.00 0.00 H new ATOM 841 N LEU A 54 -2.565 5.014 4.498 1.00 0.00 N ATOM 842 CA LEU A 54 -2.527 4.891 5.951 1.00 0.00 C ATOM 843 C LEU A 54 -3.930 4.994 6.543 1.00 0.00 C ATOM 844 O LEU A 54 -4.363 4.124 7.298 1.00 0.00 O ATOM 845 CB LEU A 54 -1.627 5.972 6.551 1.00 0.00 C ATOM 846 CG LEU A 54 -0.121 5.750 6.404 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.651 6.922 6.990 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.293 4.447 7.073 1.00 0.00 C ATOM 0 H LEU A 54 -2.108 5.850 4.134 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.120 3.910 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.880 6.926 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.859 6.062 7.612 1.00 0.00 H new ATOM 0 HG LEU A 54 0.115 5.681 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.721 6.746 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.376 7.837 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.410 7.023 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.368 4.305 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.043 4.487 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.235 3.615 6.607 1.00 0.00 H new ATOM 860 N THR A 55 -4.637 6.064 6.193 1.00 0.00 N ATOM 861 CA THR A 55 -5.990 6.281 6.688 1.00 0.00 C ATOM 862 C THR A 55 -6.882 5.080 6.396 1.00 0.00 C ATOM 863 O THR A 55 -7.682 4.669 7.237 1.00 0.00 O ATOM 864 CB THR A 55 -6.622 7.539 6.062 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.738 7.375 4.644 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.787 8.774 6.368 1.00 0.00 C ATOM 0 H THR A 55 -4.294 6.794 5.568 1.00 0.00 H new ATOM 0 HA THR A 55 -5.913 6.419 7.766 1.00 0.00 H new ATOM 0 HB THR A 55 -7.613 7.674 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.008 6.807 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.253 9.649 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.725 8.913 7.447 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.784 8.645 5.960 1.00 0.00 H new ATOM 874 N LEU A 56 -6.739 4.520 5.200 1.00 0.00 N ATOM 875 CA LEU A 56 -7.532 3.364 4.797 1.00 0.00 C ATOM 876 C LEU A 56 -7.453 2.258 5.844 1.00 0.00 C ATOM 877 O LEU A 56 -6.392 2.002 6.415 1.00 0.00 O ATOM 878 CB LEU A 56 -7.050 2.836 3.444 1.00 0.00 C ATOM 879 CG LEU A 56 -7.406 3.688 2.226 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.646 3.210 0.999 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.906 3.655 1.972 1.00 0.00 C ATOM 0 H LEU A 56 -6.081 4.848 4.492 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.571 3.681 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.966 2.729 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.463 1.838 3.298 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.114 4.718 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.913 3.829 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.574 3.286 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.906 2.172 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.141 4.267 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.222 2.628 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.431 4.047 2.843 1.00 0.00 H new ATOM 893 N THR A 57 -8.582 1.602 6.092 1.00 0.00 N ATOM 894 CA THR A 57 -8.641 0.523 7.070 1.00 0.00 C ATOM 895 C THR A 57 -9.247 -0.737 6.462 1.00 0.00 C ATOM 896 O THR A 57 -9.842 -0.694 5.386 1.00 0.00 O ATOM 897 CB THR A 57 -9.465 0.929 8.306 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.751 1.411 7.901 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.744 2.002 9.108 1.00 0.00 C ATOM 0 H THR A 57 -9.469 1.799 5.628 1.00 0.00 H new ATOM 0 HA THR A 57 -7.615 0.319 7.377 1.00 0.00 H new ATOM 0 HB THR A 57 -9.590 0.049 8.937 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.269 1.665 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.345 2.273 9.976 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.778 1.621 9.440 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.591 2.882 8.483 1.00 0.00 H new ATOM 907 N GLU A 58 -9.091 -1.859 7.159 1.00 0.00 N ATOM 908 CA GLU A 58 -9.623 -3.131 6.686 1.00 0.00 C ATOM 909 C GLU A 58 -10.956 -2.931 5.969 1.00 0.00 C ATOM 910 O GLU A 58 -11.247 -3.603 4.981 1.00 0.00 O ATOM 911 CB GLU A 58 -9.801 -4.102 7.855 1.00 0.00 C ATOM 912 CG GLU A 58 -10.537 -5.377 7.482 1.00 0.00 C ATOM 913 CD GLU A 58 -11.079 -6.114 8.691 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.292 -6.814 9.361 1.00 0.00 O ATOM 915 OE2 GLU A 58 -12.291 -5.989 8.968 1.00 0.00 O ATOM 0 H GLU A 58 -8.601 -1.912 8.052 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.909 -3.553 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.820 -4.362 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.346 -3.599 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.360 -5.133 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.862 -6.034 6.933 1.00 0.00 H new ATOM 922 N GLU A 59 -11.760 -2.003 6.477 1.00 0.00 N ATOM 923 CA GLU A 59 -13.062 -1.715 5.887 1.00 0.00 C ATOM 924 C GLU A 59 -12.907 -1.107 4.496 1.00 0.00 C ATOM 925 O GLU A 59 -13.160 -1.766 3.488 1.00 0.00 O ATOM 926 CB GLU A 59 -13.856 -0.765 6.786 1.00 0.00 C ATOM 927 CG GLU A 59 -14.723 -1.477 7.810 1.00 0.00 C ATOM 928 CD GLU A 59 -14.021 -2.662 8.445 1.00 0.00 C ATOM 929 OE1 GLU A 59 -13.831 -3.682 7.750 1.00 0.00 O ATOM 930 OE2 GLU A 59 -13.663 -2.569 9.638 1.00 0.00 O ATOM 0 H GLU A 59 -11.533 -1.438 7.295 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.606 -2.655 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.161 -0.106 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.489 -0.133 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.013 -0.771 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.641 -1.817 7.330 1.00 0.00 H new ATOM 937 N GLU A 60 -12.489 0.154 4.451 1.00 0.00 N ATOM 938 CA GLU A 60 -12.302 0.852 3.185 1.00 0.00 C ATOM 939 C GLU A 60 -11.762 -0.095 2.117 1.00 0.00 C ATOM 940 O GLU A 60 -12.192 -0.059 0.964 1.00 0.00 O ATOM 941 CB GLU A 60 -11.346 2.033 3.364 1.00 0.00 C ATOM 942 CG GLU A 60 -11.884 3.117 4.284 1.00 0.00 C ATOM 943 CD GLU A 60 -13.228 3.652 3.831 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.272 4.348 2.795 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.237 3.374 4.513 1.00 0.00 O ATOM 0 H GLU A 60 -12.274 0.713 5.277 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.273 1.226 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.400 1.667 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.134 2.469 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.978 2.718 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.168 3.937 4.331 1.00 0.00 H new ATOM 952 N PHE A 61 -10.816 -0.942 2.509 1.00 0.00 N ATOM 953 CA PHE A 61 -10.216 -1.899 1.586 1.00 0.00 C ATOM 954 C PHE A 61 -11.265 -2.864 1.044 1.00 0.00 C ATOM 955 O PHE A 61 -11.323 -3.125 -0.157 1.00 0.00 O ATOM 956 CB PHE A 61 -9.099 -2.679 2.283 1.00 0.00 C ATOM 957 CG PHE A 61 -7.839 -1.884 2.471 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.170 -1.353 1.380 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.323 -1.668 3.739 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.010 -0.620 1.550 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.165 -0.936 3.915 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.506 -0.413 2.819 1.00 0.00 C ATOM 0 H PHE A 61 -10.448 -0.985 3.459 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.794 -1.343 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.455 -3.016 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.872 -3.572 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.559 -1.513 0.385 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.832 -2.077 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.499 -0.210 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.775 -0.773 4.909 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.598 0.157 2.954 1.00 0.00 H new ATOM 972 N SER A 62 -12.094 -3.392 1.940 1.00 0.00 N ATOM 973 CA SER A 62 -13.139 -4.332 1.554 1.00 0.00 C ATOM 974 C SER A 62 -14.322 -3.602 0.926 1.00 0.00 C ATOM 975 O SER A 62 -15.258 -4.227 0.427 1.00 0.00 O ATOM 976 CB SER A 62 -13.607 -5.135 2.769 1.00 0.00 C ATOM 977 OG SER A 62 -14.693 -4.495 3.416 1.00 0.00 O ATOM 0 H SER A 62 -12.062 -3.184 2.938 1.00 0.00 H new ATOM 0 HA SER A 62 -12.723 -5.016 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.905 -6.135 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.781 -5.254 3.470 1.00 0.00 H new ATOM 0 HG SER A 62 -14.470 -3.554 3.576 1.00 0.00 H new ATOM 983 N ARG A 63 -14.273 -2.274 0.956 1.00 0.00 N ATOM 984 CA ARG A 63 -15.340 -1.457 0.392 1.00 0.00 C ATOM 985 C ARG A 63 -14.964 -0.955 -0.999 1.00 0.00 C ATOM 986 O ARG A 63 -13.790 -0.730 -1.292 1.00 0.00 O ATOM 987 CB ARG A 63 -15.642 -0.270 1.309 1.00 0.00 C ATOM 988 CG ARG A 63 -16.002 -0.674 2.729 1.00 0.00 C ATOM 989 CD ARG A 63 -17.395 -1.280 2.801 1.00 0.00 C ATOM 990 NE ARG A 63 -18.427 -0.325 2.408 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.718 -0.487 2.676 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.132 -1.561 3.335 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.598 0.426 2.285 1.00 0.00 N ATOM 0 H ARG A 63 -13.505 -1.741 1.365 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.232 -2.078 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.773 0.387 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.464 0.306 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.272 -1.393 3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.950 0.198 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.444 -2.154 2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.588 -1.625 3.817 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.141 0.512 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.459 -2.265 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.124 -1.683 3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.283 1.253 1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.589 0.300 2.491 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.969 -0.784 -1.853 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.743 -0.308 -3.212 1.00 0.00 C ATOM 1009 C ALA A 64 -15.072 1.061 -3.210 1.00 0.00 C ATOM 1010 O ALA A 64 -15.094 1.789 -2.217 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.058 -0.253 -3.976 1.00 0.00 C ATOM 0 H ALA A 64 -16.947 -0.968 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.074 -1.010 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.875 0.104 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.497 -1.250 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.744 0.426 -3.470 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.461 1.423 -4.348 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.429 0.566 -5.536 1.00 0.00 C ATOM 1019 C PRO A 65 -13.549 -0.664 -5.340 1.00 0.00 C ATOM 1020 O PRO A 65 -13.729 -1.681 -6.010 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.839 1.478 -6.615 1.00 0.00 C ATOM 1022 CG PRO A 65 -13.036 2.483 -5.865 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.754 2.697 -4.561 1.00 0.00 C ATOM 0 HA PRO A 65 -15.416 0.174 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.218 0.916 -7.312 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.624 1.956 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.020 2.124 -5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.957 3.415 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.058 2.911 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.447 3.537 -4.617 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.599 -0.565 -4.417 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.690 -1.669 -4.134 1.00 0.00 C ATOM 1033 C TYR A 66 -12.464 -2.954 -3.854 1.00 0.00 C ATOM 1034 O TYR A 66 -12.101 -4.029 -4.332 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.796 -1.329 -2.940 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.429 0.136 -2.857 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.960 0.819 -3.973 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.549 0.836 -1.663 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.623 2.156 -3.902 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.215 2.174 -1.583 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.752 2.830 -2.705 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.417 4.162 -2.629 1.00 0.00 O ATOM 0 H TYR A 66 -12.438 0.269 -3.852 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.066 -1.826 -5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.305 -1.620 -2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.883 -1.921 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.857 0.295 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.910 0.325 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.260 2.672 -4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.316 2.704 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.567 4.486 -1.716 1.00 0.00 H new ATOM 1052 N THR A 67 -13.535 -2.834 -3.076 1.00 0.00 N ATOM 1053 CA THR A 67 -14.361 -3.983 -2.731 1.00 0.00 C ATOM 1054 C THR A 67 -13.535 -5.263 -2.692 1.00 0.00 C ATOM 1055 O THR A 67 -13.996 -6.324 -3.114 1.00 0.00 O ATOM 1056 CB THR A 67 -15.519 -4.164 -3.731 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.588 -4.893 -3.117 1.00 0.00 O ATOM 1058 CG2 THR A 67 -15.048 -4.897 -4.977 1.00 0.00 C ATOM 0 H THR A 67 -13.850 -1.952 -2.673 1.00 0.00 H new ATOM 0 HA THR A 67 -14.773 -3.789 -1.741 1.00 0.00 H new ATOM 0 HB THR A 67 -15.875 -3.176 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 67 -16.254 -5.758 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.883 -5.013 -5.668 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.255 -4.324 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.668 -5.880 -4.699 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.312 -5.157 -2.183 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.422 -6.308 -2.088 1.00 0.00 C ATOM 1068 C ILE A 68 -12.138 -7.508 -1.480 1.00 0.00 C ATOM 1069 O ILE A 68 -12.212 -7.647 -0.260 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.175 -5.986 -1.243 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.375 -4.852 -1.886 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.310 -7.228 -1.083 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.523 -4.081 -0.902 1.00 0.00 C ATOM 0 H ILE A 68 -11.915 -4.286 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.110 -6.551 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.498 -5.661 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.733 -5.266 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.064 -4.164 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.432 -6.985 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.884 -8.010 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.993 -7.580 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.984 -3.293 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.161 -3.637 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.809 -4.757 -0.431 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.664 -8.375 -2.341 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.374 -9.565 -1.888 1.00 0.00 C ATOM 1087 C GLU A 69 -12.397 -10.692 -1.566 1.00 0.00 C ATOM 1088 O GLU A 69 -12.652 -11.855 -1.875 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.371 -10.028 -2.953 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.336 -8.941 -3.396 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.579 -9.500 -4.061 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.450 -10.116 -5.139 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.681 -9.322 -3.501 1.00 0.00 O ATOM 0 H GLU A 69 -12.612 -8.275 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.918 -9.308 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.820 -10.390 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.941 -10.871 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.628 -8.345 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.828 -8.270 -4.089 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.278 -10.337 -0.944 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.261 -11.318 -0.581 1.00 0.00 C ATOM 1102 C ASN A 70 -9.549 -10.913 0.706 1.00 0.00 C ATOM 1103 O ASN A 70 -8.735 -9.989 0.713 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.243 -11.471 -1.713 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.526 -12.807 -1.669 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -9.136 -13.858 -1.869 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.225 -12.771 -1.406 1.00 0.00 N ATOM 0 H ASN A 70 -11.052 -9.378 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.757 -12.274 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.751 -11.366 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.510 -10.666 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.689 -13.638 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.761 -11.876 -1.247 1.00 0.00 H new ATOM 1114 N SER A 71 -9.862 -11.610 1.794 1.00 0.00 N ATOM 1115 CA SER A 71 -9.255 -11.321 3.088 1.00 0.00 C ATOM 1116 C SER A 71 -7.733 -11.360 2.995 1.00 0.00 C ATOM 1117 O SER A 71 -7.061 -10.350 3.205 1.00 0.00 O ATOM 1118 CB SER A 71 -9.739 -12.324 4.137 1.00 0.00 C ATOM 1119 OG SER A 71 -11.153 -12.331 4.222 1.00 0.00 O ATOM 0 H SER A 71 -10.532 -12.379 1.805 1.00 0.00 H new ATOM 0 HA SER A 71 -9.558 -10.318 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.382 -13.322 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.314 -12.072 5.109 1.00 0.00 H new ATOM 0 HG SER A 71 -11.437 -12.981 4.898 1.00 0.00 H new ATOM 1125 N SER A 72 -7.195 -12.534 2.677 1.00 0.00 N ATOM 1126 CA SER A 72 -5.752 -12.707 2.559 1.00 0.00 C ATOM 1127 C SER A 72 -5.098 -11.446 2.001 1.00 0.00 C ATOM 1128 O SER A 72 -4.039 -11.024 2.467 1.00 0.00 O ATOM 1129 CB SER A 72 -5.432 -13.902 1.660 1.00 0.00 C ATOM 1130 OG SER A 72 -5.718 -15.125 2.317 1.00 0.00 O ATOM 0 H SER A 72 -7.737 -13.379 2.497 1.00 0.00 H new ATOM 0 HA SER A 72 -5.350 -12.894 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.013 -13.835 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.380 -13.876 1.375 1.00 0.00 H new ATOM 0 HG SER A 72 -5.507 -15.874 1.721 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.736 -10.850 1.000 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.217 -9.637 0.377 1.00 0.00 C ATOM 1138 C HIS A 73 -5.125 -8.502 1.392 1.00 0.00 C ATOM 1139 O HIS A 73 -4.086 -7.855 1.521 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.107 -9.219 -0.794 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.648 -7.968 -1.479 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -4.715 -7.778 -2.441 1.00 0.00 N flip ATOM 1143 CD2 HIS A 73 -6.162 -6.721 -1.192 1.00 0.00 C flip ATOM 1144 CE1 HIS A 73 -4.683 -6.433 -2.716 1.00 0.00 C flip ATOM 1145 NE2 HIS A 73 -5.566 -5.818 -1.950 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.613 -11.186 0.602 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.215 -9.849 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.141 -10.030 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.125 -9.073 -0.432 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.143 -8.499 -2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.931 -6.515 -0.462 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.040 -5.956 -3.441 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.219 -8.265 2.109 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.262 -7.207 3.111 1.00 0.00 C ATOM 1156 C ARG A 74 -5.240 -7.462 4.215 1.00 0.00 C ATOM 1157 O ARG A 74 -4.552 -6.544 4.662 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.664 -7.102 3.714 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.650 -6.352 2.834 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.868 -5.898 3.624 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.929 -6.901 3.618 1.00 0.00 N ATOM 1162 CZ ARG A 74 -10.974 -7.929 4.458 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -10.022 -8.088 5.367 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -11.973 -8.800 4.390 1.00 0.00 N ATOM 0 H ARG A 74 -7.087 -8.792 2.014 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.014 -6.266 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.046 -8.106 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.598 -6.602 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.158 -5.486 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.967 -6.994 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.575 -5.687 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.247 -4.967 3.203 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.677 -6.807 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.253 -7.420 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.059 -8.878 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.707 -8.680 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.007 -9.589 5.036 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.147 -8.714 4.651 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.211 -9.090 5.704 1.00 0.00 C ATOM 1180 C ARG A 75 -2.786 -8.690 5.332 1.00 0.00 C ATOM 1181 O ARG A 75 -2.026 -8.207 6.172 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.279 -10.596 5.963 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.382 -11.059 7.099 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.975 -11.362 6.610 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.138 -11.929 7.664 1.00 0.00 N ATOM 1186 CZ ARG A 75 0.162 -12.161 7.526 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.772 -11.875 6.384 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.856 -12.679 8.532 1.00 0.00 N ATOM 0 H ARG A 75 -5.709 -9.486 4.291 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.493 -8.560 6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.309 -10.871 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.000 -11.126 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.343 -10.289 7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.808 -11.950 7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.025 -12.058 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.516 -10.446 6.236 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.576 -12.160 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.242 -11.476 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.771 -12.054 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.391 -12.899 9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.855 -12.857 8.425 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.430 -8.896 4.068 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.097 -8.558 3.584 1.00 0.00 C ATOM 1204 C VAL A 76 -0.868 -7.051 3.613 1.00 0.00 C ATOM 1205 O VAL A 76 0.149 -6.576 4.120 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.873 -9.073 2.150 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.513 -8.688 1.655 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.070 -10.580 2.089 1.00 0.00 C ATOM 0 H VAL A 76 -3.047 -9.296 3.360 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.385 -9.044 4.251 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.609 -8.606 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.653 -9.060 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.613 -7.603 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.267 -9.125 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.908 -10.927 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.358 -11.067 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.085 -10.827 2.399 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.821 -6.303 3.066 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.724 -4.849 3.030 1.00 0.00 C ATOM 1220 C ILE A 77 -1.689 -4.266 4.439 1.00 0.00 C ATOM 1221 O ILE A 77 -0.712 -3.629 4.835 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.901 -4.225 2.257 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.821 -4.598 0.775 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.905 -2.713 2.428 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -4.095 -4.311 0.011 1.00 0.00 C ATOM 0 H ILE A 77 -2.669 -6.680 2.642 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.794 -4.607 2.516 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.833 -4.620 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.999 -4.050 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.585 -5.659 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.743 -2.287 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.004 -2.467 3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.971 -2.301 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.967 -4.600 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.916 -4.880 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.321 -3.246 0.067 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.761 -4.488 5.191 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.853 -3.986 6.558 1.00 0.00 C ATOM 1239 C LEU A 78 -1.614 -4.365 7.362 1.00 0.00 C ATOM 1240 O LEU A 78 -0.880 -3.499 7.839 1.00 0.00 O ATOM 1241 CB LEU A 78 -4.107 -4.536 7.241 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.384 -3.714 7.063 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.212 -2.325 7.659 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.758 -3.622 5.591 1.00 0.00 C ATOM 0 H LEU A 78 -3.578 -5.012 4.878 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.917 -2.899 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.291 -5.542 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.904 -4.629 8.308 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.194 -4.216 7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.131 -1.754 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.992 -2.410 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.390 -1.814 7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.669 -3.034 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.949 -3.143 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.924 -4.624 5.194 1.00 0.00 H new ATOM 1256 N THR A 79 -1.385 -5.667 7.508 1.00 0.00 N ATOM 1257 CA THR A 79 -0.234 -6.161 8.253 1.00 0.00 C ATOM 1258 C THR A 79 1.033 -5.404 7.874 1.00 0.00 C ATOM 1259 O THR A 79 1.591 -4.666 8.685 1.00 0.00 O ATOM 1260 CB THR A 79 -0.012 -7.666 8.010 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.128 -8.413 8.507 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.265 -8.141 8.687 1.00 0.00 C ATOM 0 H THR A 79 -1.982 -6.398 7.120 1.00 0.00 H new ATOM 0 HA THR A 79 -0.448 -5.999 9.309 1.00 0.00 H new ATOM 0 HB THR A 79 0.083 -7.828 6.936 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.655 -8.753 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.401 -9.207 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.116 -7.592 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.195 -7.966 9.761 1.00 0.00 H new ATOM 1270 N GLU A 80 1.482 -5.593 6.637 1.00 0.00 N ATOM 1271 CA GLU A 80 2.685 -4.926 6.152 1.00 0.00 C ATOM 1272 C GLU A 80 2.668 -3.443 6.511 1.00 0.00 C ATOM 1273 O GLU A 80 3.630 -2.918 7.074 1.00 0.00 O ATOM 1274 CB GLU A 80 2.811 -5.094 4.636 1.00 0.00 C ATOM 1275 CG GLU A 80 3.168 -6.507 4.207 1.00 0.00 C ATOM 1276 CD GLU A 80 4.665 -6.732 4.130 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.410 -6.007 4.822 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.092 -7.633 3.378 1.00 0.00 O ATOM 0 H GLU A 80 1.032 -6.202 5.953 1.00 0.00 H new ATOM 0 HA GLU A 80 3.546 -5.388 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.869 -4.808 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.572 -4.408 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.733 -7.217 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.723 -6.710 3.233 1.00 0.00 H new ATOM 1285 N LEU A 81 1.569 -2.774 6.182 1.00 0.00 N ATOM 1286 CA LEU A 81 1.425 -1.350 6.469 1.00 0.00 C ATOM 1287 C LEU A 81 1.685 -1.064 7.945 1.00 0.00 C ATOM 1288 O LEU A 81 2.326 -0.072 8.290 1.00 0.00 O ATOM 1289 CB LEU A 81 0.025 -0.871 6.084 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.103 -0.209 4.711 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.556 -0.190 4.261 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.464 1.203 4.745 1.00 0.00 C ATOM 0 H LEU A 81 0.764 -3.194 5.716 1.00 0.00 H new ATOM 0 HA LEU A 81 2.163 -0.808 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.652 -1.725 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.316 -0.163 6.840 1.00 0.00 H new ATOM 0 HG LEU A 81 0.472 -0.793 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.628 0.285 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.930 -1.212 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.152 0.371 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.365 1.659 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.083 1.797 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.517 1.166 5.023 1.00 0.00 H new ATOM 1304 N GLU A 82 1.185 -1.940 8.810 1.00 0.00 N ATOM 1305 CA GLU A 82 1.364 -1.781 10.248 1.00 0.00 C ATOM 1306 C GLU A 82 2.844 -1.814 10.618 1.00 0.00 C ATOM 1307 O GLU A 82 3.251 -1.266 11.643 1.00 0.00 O ATOM 1308 CB GLU A 82 0.614 -2.880 11.003 1.00 0.00 C ATOM 1309 CG GLU A 82 0.814 -2.830 12.508 1.00 0.00 C ATOM 1310 CD GLU A 82 0.059 -1.687 13.159 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -1.128 -1.877 13.499 1.00 0.00 O ATOM 1312 OE2 GLU A 82 0.655 -0.603 13.329 1.00 0.00 O ATOM 0 H GLU A 82 0.653 -2.767 8.540 1.00 0.00 H new ATOM 0 HA GLU A 82 0.956 -0.811 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.451 -2.798 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.942 -3.852 10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.486 -3.773 12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.877 -2.729 12.726 1.00 0.00 H new ATOM 1319 N ARG A 83 3.644 -2.462 9.777 1.00 0.00 N ATOM 1320 CA ARG A 83 5.078 -2.569 10.017 1.00 0.00 C ATOM 1321 C ARG A 83 5.808 -1.329 9.507 1.00 0.00 C ATOM 1322 O ARG A 83 6.433 -0.602 10.280 1.00 0.00 O ATOM 1323 CB ARG A 83 5.639 -3.819 9.336 1.00 0.00 C ATOM 1324 CG ARG A 83 4.953 -5.105 9.765 1.00 0.00 C ATOM 1325 CD ARG A 83 5.890 -6.298 9.660 1.00 0.00 C ATOM 1326 NE ARG A 83 5.186 -7.565 9.844 1.00 0.00 N ATOM 1327 CZ ARG A 83 5.798 -8.713 10.112 1.00 0.00 C ATOM 1328 NH1 ARG A 83 7.118 -8.754 10.227 1.00 0.00 N ATOM 1329 NH2 ARG A 83 5.088 -9.824 10.266 1.00 0.00 N ATOM 0 H ARG A 83 3.323 -2.920 8.924 1.00 0.00 H new ATOM 0 HA ARG A 83 5.236 -2.647 11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.543 -3.708 8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.704 -3.895 9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.602 -5.006 10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.074 -5.275 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.377 -6.292 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.677 -6.208 10.409 1.00 0.00 H new ATOM 0 HE ARG A 83 4.169 -7.568 9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.667 -7.902 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.585 -9.637 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.072 -9.796 10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.558 -10.705 10.472 1.00 0.00 H new ATOM 1343 N VAL A 84 5.725 -1.094 8.202 1.00 0.00 N ATOM 1344 CA VAL A 84 6.377 0.057 7.589 1.00 0.00 C ATOM 1345 C VAL A 84 6.139 1.322 8.406 1.00 0.00 C ATOM 1346 O VAL A 84 7.066 2.090 8.665 1.00 0.00 O ATOM 1347 CB VAL A 84 5.876 0.286 6.151 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.353 -0.831 5.235 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.359 0.396 6.126 1.00 0.00 C ATOM 0 H VAL A 84 5.212 -1.686 7.548 1.00 0.00 H new ATOM 0 HA VAL A 84 7.445 -0.160 7.563 1.00 0.00 H new ATOM 0 HB VAL A 84 6.291 1.225 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.989 -0.652 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.443 -0.857 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.969 -1.786 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.023 0.558 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.921 -0.525 6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.045 1.234 6.748 1.00 0.00 H new ATOM 1359 N ARG A 85 4.890 1.534 8.809 1.00 0.00 N ATOM 1360 CA ARG A 85 4.529 2.707 9.596 1.00 0.00 C ATOM 1361 C ARG A 85 5.164 2.647 10.982 1.00 0.00 C ATOM 1362 O ARG A 85 5.691 3.644 11.478 1.00 0.00 O ATOM 1363 CB ARG A 85 3.009 2.813 9.724 1.00 0.00 C ATOM 1364 CG ARG A 85 2.427 1.939 10.823 1.00 0.00 C ATOM 1365 CD ARG A 85 0.926 2.137 10.957 1.00 0.00 C ATOM 1366 NE ARG A 85 0.598 3.365 11.676 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.607 3.925 11.663 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.592 3.370 10.970 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -0.827 5.043 12.343 1.00 0.00 N ATOM 0 H ARG A 85 4.111 0.908 8.603 1.00 0.00 H new ATOM 0 HA ARG A 85 4.906 3.590 9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.741 3.852 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.553 2.538 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.639 0.892 10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.912 2.173 11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.474 2.166 9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.493 1.284 11.480 1.00 0.00 H new ATOM 0 HE ARG A 85 1.334 3.818 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.426 2.511 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.516 3.802 10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.071 5.473 12.876 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.752 5.473 12.333 1.00 0.00 H new ATOM 1383 N SER A 86 5.111 1.473 11.602 1.00 0.00 N ATOM 1384 CA SER A 86 5.677 1.285 12.933 1.00 0.00 C ATOM 1385 C SER A 86 7.200 1.364 12.892 1.00 0.00 C ATOM 1386 O SER A 86 7.868 0.439 12.432 1.00 0.00 O ATOM 1387 CB SER A 86 5.240 -0.063 13.510 1.00 0.00 C ATOM 1388 OG SER A 86 5.775 -0.260 14.807 1.00 0.00 O ATOM 0 H SER A 86 4.682 0.637 11.204 1.00 0.00 H new ATOM 0 HA SER A 86 5.307 2.084 13.575 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.152 -0.109 13.551 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.568 -0.867 12.852 1.00 0.00 H new ATOM 0 HG SER A 86 5.480 -1.128 15.154 1.00 0.00 H new ATOM 1394 N GLY A 87 7.742 2.477 13.377 1.00 0.00 N ATOM 1395 CA GLY A 87 9.181 2.658 13.386 1.00 0.00 C ATOM 1396 C GLY A 87 9.839 2.013 14.590 1.00 0.00 C ATOM 1397 O GLY A 87 9.275 1.972 15.684 1.00 0.00 O ATOM 0 H GLY A 87 7.210 3.256 13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.603 2.234 12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.410 3.724 13.378 1.00 0.00 H new ATOM 1401 N PRO A 88 11.059 1.493 14.395 1.00 0.00 N ATOM 1402 CA PRO A 88 11.820 0.836 15.462 1.00 0.00 C ATOM 1403 C PRO A 88 12.302 1.821 16.521 1.00 0.00 C ATOM 1404 O PRO A 88 12.634 1.431 17.641 1.00 0.00 O ATOM 1405 CB PRO A 88 13.010 0.220 14.722 1.00 0.00 C ATOM 1406 CG PRO A 88 13.175 1.061 13.504 1.00 0.00 C ATOM 1407 CD PRO A 88 11.791 1.506 13.117 1.00 0.00 C ATOM 0 HA PRO A 88 11.216 0.109 16.005 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.909 0.234 15.338 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.818 -0.821 14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.818 1.918 13.705 1.00 0.00 H new ATOM 0 HG3 PRO A 88 13.642 0.494 12.699 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.799 2.499 12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.341 0.831 12.389 1.00 0.00 H new ATOM 1415 N SER A 89 12.339 3.100 16.160 1.00 0.00 N ATOM 1416 CA SER A 89 12.785 4.141 17.078 1.00 0.00 C ATOM 1417 C SER A 89 12.187 3.933 18.467 1.00 0.00 C ATOM 1418 O SER A 89 11.249 3.156 18.640 1.00 0.00 O ATOM 1419 CB SER A 89 12.396 5.521 16.545 1.00 0.00 C ATOM 1420 OG SER A 89 12.982 5.762 15.277 1.00 0.00 O ATOM 0 H SER A 89 12.065 3.440 15.238 1.00 0.00 H new ATOM 0 HA SER A 89 13.871 4.082 17.156 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.311 5.592 16.467 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.716 6.289 17.249 1.00 0.00 H new ATOM 0 HG SER A 89 12.717 6.650 14.957 1.00 0.00 H new ATOM 1426 N SER A 90 12.739 4.633 19.452 1.00 0.00 N ATOM 1427 CA SER A 90 12.264 4.523 20.827 1.00 0.00 C ATOM 1428 C SER A 90 10.863 5.111 20.966 1.00 0.00 C ATOM 1429 O SER A 90 10.607 6.241 20.553 1.00 0.00 O ATOM 1430 CB SER A 90 13.225 5.237 21.780 1.00 0.00 C ATOM 1431 OG SER A 90 13.214 6.637 21.560 1.00 0.00 O ATOM 0 H SER A 90 13.515 5.282 19.324 1.00 0.00 H new ATOM 0 HA SER A 90 12.224 3.465 21.088 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.943 5.025 22.812 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.235 4.851 21.640 1.00 0.00 H new ATOM 0 HG SER A 90 12.375 6.893 21.122 1.00 0.00 H new ATOM 1437 N GLY A 91 9.957 4.332 21.551 1.00 0.00 N ATOM 1438 CA GLY A 91 8.592 4.791 21.735 1.00 0.00 C ATOM 1439 C GLY A 91 7.852 3.999 22.794 1.00 0.00 C ATOM 1440 O GLY A 91 6.735 3.534 22.563 1.00 0.00 O ATOM 0 H GLY A 91 10.144 3.392 21.900 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.601 5.845 22.014 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.056 4.716 20.789 1.00 0.00 H new TER 1444 GLY A 91