USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot -47:sc= 0.429 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.772 K(o=1.2,f=-2.7!) USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 0.429 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 1 MET CE :methyl 151:sc= 0 (180deg=-0.101) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.995 (180deg=0.563) USER MOD Single : A 2 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 32:sc= 0.355 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.278 (180deg=-0.837) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= -3.75! C(o=-3.8!,f=-9.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.23! C(o=-3.2!,f=-6.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -53:sc= -0.562 USER MOD Single : A 60 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 0.65 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.29! K(o=-2.3!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.358 -19.917 -1.991 1.00 0.00 N ATOM 2 CA MET A 1 3.143 -19.426 -3.154 1.00 0.00 C ATOM 3 C MET A 1 3.887 -18.138 -2.813 1.00 0.00 C ATOM 4 O MET A 1 3.387 -17.303 -2.059 1.00 0.00 O ATOM 5 CB MET A 1 2.185 -19.189 -4.323 1.00 0.00 C ATOM 6 CG MET A 1 1.104 -18.161 -4.024 1.00 0.00 C ATOM 7 SD MET A 1 0.587 -17.250 -5.491 1.00 0.00 S ATOM 8 CE MET A 1 -0.943 -16.520 -4.914 1.00 0.00 C ATOM 0 H1 MET A 1 1.784 -20.735 -2.280 1.00 0.00 H new ATOM 0 H2 MET A 1 3.007 -20.201 -1.229 1.00 0.00 H new ATOM 0 H3 MET A 1 1.734 -19.159 -1.649 1.00 0.00 H new ATOM 0 HA MET A 1 3.889 -20.174 -3.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.757 -18.861 -5.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.712 -20.134 -4.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.240 -18.664 -3.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.473 -17.459 -3.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.118 -15.580 -5.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.769 -17.204 -5.110 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.875 -16.331 -3.843 1.00 0.00 H new ATOM 20 N GLN A 2 5.082 -17.985 -3.373 1.00 0.00 N ATOM 21 CA GLN A 2 5.893 -16.798 -3.127 1.00 0.00 C ATOM 22 C GLN A 2 5.493 -15.663 -4.063 1.00 0.00 C ATOM 23 O GLN A 2 5.250 -15.880 -5.250 1.00 0.00 O ATOM 24 CB GLN A 2 7.377 -17.123 -3.306 1.00 0.00 C ATOM 25 CG GLN A 2 8.213 -16.849 -2.067 1.00 0.00 C ATOM 26 CD GLN A 2 9.335 -17.853 -1.887 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.864 -18.391 -2.859 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.704 -18.109 -0.637 1.00 0.00 N ATOM 0 H GLN A 2 5.510 -18.667 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 2 5.720 -16.476 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.480 -18.173 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.771 -16.538 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.635 -15.846 -2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.569 -16.867 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.237 -17.639 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.454 -18.775 -0.453 1.00 0.00 H new ATOM 37 N LEU A 3 5.426 -14.452 -3.520 1.00 0.00 N ATOM 38 CA LEU A 3 5.055 -13.281 -4.307 1.00 0.00 C ATOM 39 C LEU A 3 6.136 -12.209 -4.232 1.00 0.00 C ATOM 40 O LEU A 3 6.786 -12.039 -3.199 1.00 0.00 O ATOM 41 CB LEU A 3 3.722 -12.713 -3.816 1.00 0.00 C ATOM 42 CG LEU A 3 2.532 -13.666 -3.927 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.374 -13.177 -3.071 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.101 -13.810 -5.379 1.00 0.00 C ATOM 0 H LEU A 3 5.624 -14.256 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 3 4.950 -13.592 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.833 -12.415 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.499 -11.810 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 3 2.839 -14.645 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.536 -13.868 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.689 -13.125 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.066 -12.187 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.253 -14.492 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.812 -12.835 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.929 -14.207 -5.967 1.00 0.00 H new ATOM 56 N PHE A 4 6.326 -11.489 -5.332 1.00 0.00 N ATOM 57 CA PHE A 4 7.329 -10.433 -5.390 1.00 0.00 C ATOM 58 C PHE A 4 6.671 -9.056 -5.414 1.00 0.00 C ATOM 59 O PHE A 4 6.122 -8.638 -6.433 1.00 0.00 O ATOM 60 CB PHE A 4 8.214 -10.608 -6.626 1.00 0.00 C ATOM 61 CG PHE A 4 8.963 -11.909 -6.649 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.280 -13.120 -6.638 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.353 -11.924 -6.682 1.00 0.00 C ATOM 64 CE1 PHE A 4 8.969 -14.323 -6.658 1.00 0.00 C ATOM 65 CE2 PHE A 4 11.048 -13.124 -6.701 1.00 0.00 C ATOM 66 CZ PHE A 4 10.355 -14.324 -6.690 1.00 0.00 C ATOM 0 H PHE A 4 5.798 -11.618 -6.195 1.00 0.00 H new ATOM 0 HA PHE A 4 7.947 -10.505 -4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.594 -10.540 -7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.929 -9.786 -6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.200 -13.124 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.897 -10.991 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.427 -15.257 -6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.128 -13.123 -6.724 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.894 -15.260 -6.706 1.00 0.00 H new ATOM 76 N VAL A 5 6.732 -8.357 -4.285 1.00 0.00 N ATOM 77 CA VAL A 5 6.144 -7.028 -4.176 1.00 0.00 C ATOM 78 C VAL A 5 7.179 -5.946 -4.461 1.00 0.00 C ATOM 79 O VAL A 5 8.302 -6.002 -3.961 1.00 0.00 O ATOM 80 CB VAL A 5 5.541 -6.791 -2.779 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.694 -5.528 -2.769 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.722 -7.996 -2.340 1.00 0.00 C ATOM 0 H VAL A 5 7.183 -8.690 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 5 5.348 -6.973 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 5 6.357 -6.657 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.277 -5.378 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.314 -4.672 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.883 -5.628 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.304 -7.811 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.913 -8.164 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.362 -8.877 -2.304 1.00 0.00 H new ATOM 92 N LYS A 6 6.794 -4.962 -5.267 1.00 0.00 N ATOM 93 CA LYS A 6 7.692 -3.867 -5.618 1.00 0.00 C ATOM 94 C LYS A 6 7.102 -2.524 -5.199 1.00 0.00 C ATOM 95 O LYS A 6 5.953 -2.448 -4.765 1.00 0.00 O ATOM 96 CB LYS A 6 7.969 -3.869 -7.122 1.00 0.00 C ATOM 97 CG LYS A 6 6.800 -3.375 -7.957 1.00 0.00 C ATOM 98 CD LYS A 6 7.114 -2.046 -8.625 1.00 0.00 C ATOM 99 CE LYS A 6 7.844 -2.245 -9.944 1.00 0.00 C ATOM 100 NZ LYS A 6 7.076 -1.694 -11.093 1.00 0.00 N ATOM 0 H LYS A 6 5.868 -4.900 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 6 8.630 -4.014 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.839 -3.243 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.225 -4.881 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.556 -4.117 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.920 -3.266 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.188 -1.497 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.725 -1.437 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.820 -1.762 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.022 -3.308 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.608 -1.850 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.155 -2.172 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.928 -0.674 -10.954 1.00 0.00 H new ATOM 114 N THR A 7 7.897 -1.468 -5.335 1.00 0.00 N ATOM 115 CA THR A 7 7.455 -0.127 -4.972 1.00 0.00 C ATOM 116 C THR A 7 7.573 0.823 -6.158 1.00 0.00 C ATOM 117 O THR A 7 8.119 0.465 -7.202 1.00 0.00 O ATOM 118 CB THR A 7 8.276 0.403 -3.795 1.00 0.00 C ATOM 119 OG1 THR A 7 9.641 0.523 -4.150 1.00 0.00 O ATOM 120 CG2 THR A 7 8.196 -0.476 -2.566 1.00 0.00 C ATOM 0 H THR A 7 8.851 -1.515 -5.694 1.00 0.00 H new ATOM 0 HA THR A 7 6.407 -0.184 -4.678 1.00 0.00 H new ATOM 0 HB THR A 7 7.844 1.375 -3.555 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.922 1.458 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.800 -0.043 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.159 -0.548 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.570 -1.471 -2.805 1.00 0.00 H new ATOM 128 N LEU A 8 7.058 2.037 -5.992 1.00 0.00 N ATOM 129 CA LEU A 8 7.107 3.039 -7.050 1.00 0.00 C ATOM 130 C LEU A 8 8.535 3.528 -7.272 1.00 0.00 C ATOM 131 O LEU A 8 8.840 4.143 -8.293 1.00 0.00 O ATOM 132 CB LEU A 8 6.199 4.221 -6.705 1.00 0.00 C ATOM 133 CG LEU A 8 5.104 4.516 -7.732 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.054 5.444 -7.141 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.704 5.120 -8.992 1.00 0.00 C ATOM 0 H LEU A 8 6.602 2.350 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 8 6.754 2.575 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.729 4.030 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.816 5.112 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 8 4.620 3.577 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.283 5.643 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.602 4.973 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.523 6.382 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.911 5.323 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.214 6.050 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.417 4.420 -9.427 1.00 0.00 H new ATOM 147 N THR A 9 9.407 3.248 -6.309 1.00 0.00 N ATOM 148 CA THR A 9 10.804 3.659 -6.400 1.00 0.00 C ATOM 149 C THR A 9 11.650 2.572 -7.054 1.00 0.00 C ATOM 150 O THR A 9 12.345 2.819 -8.039 1.00 0.00 O ATOM 151 CB THR A 9 11.355 3.982 -5.010 1.00 0.00 C ATOM 152 OG1 THR A 9 11.585 2.794 -4.274 1.00 0.00 O ATOM 153 CG2 THR A 9 10.433 4.859 -4.191 1.00 0.00 C ATOM 0 H THR A 9 9.172 2.739 -5.457 1.00 0.00 H new ATOM 0 HA THR A 9 10.853 4.554 -7.020 1.00 0.00 H new ATOM 0 HB THR A 9 12.284 4.524 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.939 3.021 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.883 5.050 -3.217 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.275 5.805 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.476 4.355 -4.056 1.00 0.00 H new ATOM 161 N GLY A 10 11.586 1.367 -6.497 1.00 0.00 N ATOM 162 CA GLY A 10 12.350 0.259 -7.036 1.00 0.00 C ATOM 163 C GLY A 10 12.447 -0.905 -6.070 1.00 0.00 C ATOM 164 O GLY A 10 12.366 -2.064 -6.474 1.00 0.00 O ATOM 0 H GLY A 10 11.018 1.139 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.887 -0.080 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.353 0.602 -7.288 1.00 0.00 H new ATOM 168 N LYS A 11 12.621 -0.595 -4.789 1.00 0.00 N ATOM 169 CA LYS A 11 12.728 -1.625 -3.762 1.00 0.00 C ATOM 170 C LYS A 11 11.745 -2.760 -4.025 1.00 0.00 C ATOM 171 O LYS A 11 10.540 -2.535 -4.142 1.00 0.00 O ATOM 172 CB LYS A 11 12.472 -1.024 -2.378 1.00 0.00 C ATOM 173 CG LYS A 11 13.735 -0.839 -1.552 1.00 0.00 C ATOM 174 CD LYS A 11 13.545 -1.332 -0.126 1.00 0.00 C ATOM 175 CE LYS A 11 13.016 -0.231 0.778 1.00 0.00 C ATOM 176 NZ LYS A 11 14.118 0.528 1.434 1.00 0.00 N ATOM 0 H LYS A 11 12.691 0.360 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 11 13.740 -2.030 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.980 -0.058 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.783 -1.669 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.559 -1.380 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.012 0.215 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.852 -2.173 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.495 -1.699 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.401 0.454 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.371 -0.667 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.715 1.269 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.690 -0.120 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.719 0.965 0.707 1.00 0.00 H new ATOM 190 N THR A 12 12.266 -3.978 -4.119 1.00 0.00 N ATOM 191 CA THR A 12 11.433 -5.148 -4.369 1.00 0.00 C ATOM 192 C THR A 12 11.622 -6.197 -3.278 1.00 0.00 C ATOM 193 O THR A 12 12.718 -6.727 -3.095 1.00 0.00 O ATOM 194 CB THR A 12 11.764 -5.753 -5.734 1.00 0.00 C ATOM 195 OG1 THR A 12 11.848 -4.742 -6.723 1.00 0.00 O ATOM 196 CG2 THR A 12 10.744 -6.769 -6.203 1.00 0.00 C ATOM 0 H THR A 12 13.261 -4.181 -4.026 1.00 0.00 H new ATOM 0 HA THR A 12 10.391 -4.827 -4.362 1.00 0.00 H new ATOM 0 HB THR A 12 12.721 -6.258 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.187 -3.916 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.040 -7.158 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.690 -7.588 -5.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.767 -6.293 -6.284 1.00 0.00 H new ATOM 204 N LEU A 13 10.546 -6.492 -2.555 1.00 0.00 N ATOM 205 CA LEU A 13 10.594 -7.477 -1.482 1.00 0.00 C ATOM 206 C LEU A 13 9.796 -8.724 -1.853 1.00 0.00 C ATOM 207 O LEU A 13 9.048 -8.725 -2.831 1.00 0.00 O ATOM 208 CB LEU A 13 10.049 -6.878 -0.185 1.00 0.00 C ATOM 209 CG LEU A 13 8.531 -6.686 -0.149 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.952 -7.259 1.135 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.176 -5.213 -0.286 1.00 0.00 C ATOM 0 H LEU A 13 9.631 -6.063 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 13 11.635 -7.763 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.338 -7.523 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.526 -5.912 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 13 8.096 -7.223 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.872 -7.114 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.175 -8.324 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.393 -6.750 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.093 -5.096 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.623 -4.653 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.558 -4.833 -1.234 1.00 0.00 H new ATOM 223 N THR A 14 9.963 -9.782 -1.068 1.00 0.00 N ATOM 224 CA THR A 14 9.258 -11.035 -1.314 1.00 0.00 C ATOM 225 C THR A 14 8.573 -11.532 -0.046 1.00 0.00 C ATOM 226 O THR A 14 9.111 -11.405 1.054 1.00 0.00 O ATOM 227 CB THR A 14 10.229 -12.096 -1.833 1.00 0.00 C ATOM 228 OG1 THR A 14 10.834 -11.674 -3.042 1.00 0.00 O ATOM 229 CG2 THR A 14 9.568 -13.433 -2.094 1.00 0.00 C ATOM 0 H THR A 14 10.580 -9.798 -0.256 1.00 0.00 H new ATOM 0 HA THR A 14 8.494 -10.851 -2.069 1.00 0.00 H new ATOM 0 HB THR A 14 10.970 -12.221 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.453 -12.366 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.311 -14.141 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.132 -13.810 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.784 -13.311 -2.841 1.00 0.00 H new ATOM 237 N VAL A 15 7.382 -12.101 -0.207 1.00 0.00 N ATOM 238 CA VAL A 15 6.624 -12.618 0.926 1.00 0.00 C ATOM 239 C VAL A 15 5.997 -13.968 0.596 1.00 0.00 C ATOM 240 O VAL A 15 5.659 -14.241 -0.556 1.00 0.00 O ATOM 241 CB VAL A 15 5.514 -11.641 1.354 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.110 -10.430 2.054 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.684 -11.215 0.151 1.00 0.00 C ATOM 0 H VAL A 15 6.922 -12.215 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 15 7.328 -12.737 1.749 1.00 0.00 H new ATOM 0 HB VAL A 15 4.857 -12.152 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.311 -9.750 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.656 -10.754 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.791 -9.916 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.904 -10.525 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.327 -10.722 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.226 -12.093 -0.304 1.00 0.00 H new ATOM 253 N GLU A 16 5.844 -14.808 1.614 1.00 0.00 N ATOM 254 CA GLU A 16 5.257 -16.130 1.432 1.00 0.00 C ATOM 255 C GLU A 16 3.783 -16.130 1.823 1.00 0.00 C ATOM 256 O GLU A 16 3.442 -15.982 2.996 1.00 0.00 O ATOM 257 CB GLU A 16 6.016 -17.167 2.261 1.00 0.00 C ATOM 258 CG GLU A 16 7.515 -16.921 2.319 1.00 0.00 C ATOM 259 CD GLU A 16 8.207 -17.779 3.359 1.00 0.00 C ATOM 260 OE1 GLU A 16 7.580 -18.745 3.845 1.00 0.00 O ATOM 261 OE2 GLU A 16 9.376 -17.487 3.689 1.00 0.00 O ATOM 0 H GLU A 16 6.118 -14.597 2.573 1.00 0.00 H new ATOM 0 HA GLU A 16 5.334 -16.391 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.617 -17.171 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.835 -18.157 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.950 -17.121 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.699 -15.870 2.540 1.00 0.00 H new ATOM 268 N LEU A 17 2.913 -16.298 0.833 1.00 0.00 N ATOM 269 CA LEU A 17 1.475 -16.317 1.074 1.00 0.00 C ATOM 270 C LEU A 17 0.801 -17.410 0.252 1.00 0.00 C ATOM 271 O LEU A 17 1.443 -18.076 -0.560 1.00 0.00 O ATOM 272 CB LEU A 17 0.861 -14.957 0.740 1.00 0.00 C ATOM 273 CG LEU A 17 0.037 -14.326 1.864 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.884 -14.162 3.116 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.531 -12.987 1.421 1.00 0.00 C ATOM 0 H LEU A 17 3.179 -16.423 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 17 1.312 -16.529 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.663 -14.270 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.225 -15.068 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.795 -14.990 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.283 -13.712 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.241 -15.138 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.736 -13.518 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.114 -12.553 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.286 -12.314 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.172 -13.133 0.552 1.00 0.00 H new ATOM 287 N GLU A 18 -0.498 -17.590 0.469 1.00 0.00 N ATOM 288 CA GLU A 18 -1.260 -18.602 -0.252 1.00 0.00 C ATOM 289 C GLU A 18 -2.371 -17.962 -1.078 1.00 0.00 C ATOM 290 O GLU A 18 -2.813 -16.850 -0.788 1.00 0.00 O ATOM 291 CB GLU A 18 -1.857 -19.613 0.729 1.00 0.00 C ATOM 292 CG GLU A 18 -0.818 -20.295 1.605 1.00 0.00 C ATOM 293 CD GLU A 18 -0.515 -21.711 1.158 1.00 0.00 C ATOM 294 OE1 GLU A 18 -0.157 -21.896 -0.025 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.636 -22.636 1.988 1.00 0.00 O ATOM 0 H GLU A 18 -1.044 -17.048 1.138 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.580 -19.119 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.581 -19.105 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.403 -20.372 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.102 -19.710 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.172 -20.312 2.636 1.00 0.00 H new ATOM 302 N PRO A 19 -2.836 -18.662 -2.123 1.00 0.00 N ATOM 303 CA PRO A 19 -3.902 -18.165 -2.999 1.00 0.00 C ATOM 304 C PRO A 19 -5.228 -18.013 -2.263 1.00 0.00 C ATOM 305 O PRO A 19 -6.133 -17.320 -2.728 1.00 0.00 O ATOM 306 CB PRO A 19 -4.012 -19.242 -4.081 1.00 0.00 C ATOM 307 CG PRO A 19 -3.440 -20.470 -3.459 1.00 0.00 C ATOM 308 CD PRO A 19 -2.360 -19.994 -2.530 1.00 0.00 C ATOM 0 HA PRO A 19 -3.676 -17.174 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.049 -19.397 -4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.460 -18.959 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.205 -21.026 -2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.036 -21.140 -4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.242 -20.659 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.392 -19.942 -3.029 1.00 0.00 H new ATOM 316 N SER A 20 -5.337 -18.665 -1.110 1.00 0.00 N ATOM 317 CA SER A 20 -6.552 -18.602 -0.308 1.00 0.00 C ATOM 318 C SER A 20 -6.534 -17.386 0.612 1.00 0.00 C ATOM 319 O SER A 20 -7.580 -16.923 1.066 1.00 0.00 O ATOM 320 CB SER A 20 -6.710 -19.880 0.518 1.00 0.00 C ATOM 321 OG SER A 20 -6.011 -19.783 1.746 1.00 0.00 O ATOM 0 H SER A 20 -4.598 -19.243 -0.711 1.00 0.00 H new ATOM 0 HA SER A 20 -7.401 -18.509 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.767 -20.064 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.337 -20.732 -0.050 1.00 0.00 H new ATOM 0 HG SER A 20 -6.129 -20.611 2.256 1.00 0.00 H new ATOM 327 N ASP A 21 -5.339 -16.874 0.884 1.00 0.00 N ATOM 328 CA ASP A 21 -5.183 -15.711 1.750 1.00 0.00 C ATOM 329 C ASP A 21 -5.929 -14.507 1.183 1.00 0.00 C ATOM 330 O ASP A 21 -6.551 -14.592 0.124 1.00 0.00 O ATOM 331 CB ASP A 21 -3.702 -15.372 1.925 1.00 0.00 C ATOM 332 CG ASP A 21 -3.027 -16.247 2.963 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.503 -16.273 4.118 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.023 -16.907 2.622 1.00 0.00 O ATOM 0 H ASP A 21 -4.463 -17.246 0.517 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.609 -15.955 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.191 -15.487 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.603 -14.326 2.216 1.00 0.00 H new ATOM 339 N THR A 22 -5.862 -13.387 1.894 1.00 0.00 N ATOM 340 CA THR A 22 -6.532 -12.167 1.462 1.00 0.00 C ATOM 341 C THR A 22 -5.616 -10.957 1.609 1.00 0.00 C ATOM 342 O THR A 22 -4.571 -11.029 2.258 1.00 0.00 O ATOM 343 CB THR A 22 -7.814 -11.953 2.269 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.522 -11.372 3.527 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.583 -13.232 2.519 1.00 0.00 C ATOM 0 H THR A 22 -5.350 -13.299 2.772 1.00 0.00 H new ATOM 0 HA THR A 22 -6.787 -12.277 0.408 1.00 0.00 H new ATOM 0 HB THR A 22 -8.432 -11.290 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.780 -11.856 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.481 -13.010 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.866 -13.679 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.957 -13.930 3.075 1.00 0.00 H new ATOM 353 N VAL A 23 -6.015 -9.844 1.002 1.00 0.00 N ATOM 354 CA VAL A 23 -5.232 -8.617 1.065 1.00 0.00 C ATOM 355 C VAL A 23 -4.782 -8.331 2.492 1.00 0.00 C ATOM 356 O VAL A 23 -3.619 -8.005 2.733 1.00 0.00 O ATOM 357 CB VAL A 23 -6.033 -7.410 0.541 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.305 -6.111 0.848 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.289 -7.548 -0.952 1.00 0.00 C ATOM 0 H VAL A 23 -6.876 -9.767 0.461 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.358 -8.765 0.430 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.996 -7.387 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.886 -5.270 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.180 -6.010 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.326 -6.120 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.856 -6.687 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.337 -7.598 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.857 -8.459 -1.141 1.00 0.00 H new ATOM 369 N GLU A 24 -5.708 -8.459 3.437 1.00 0.00 N ATOM 370 CA GLU A 24 -5.403 -8.218 4.842 1.00 0.00 C ATOM 371 C GLU A 24 -4.076 -8.862 5.225 1.00 0.00 C ATOM 372 O GLU A 24 -3.201 -8.214 5.797 1.00 0.00 O ATOM 373 CB GLU A 24 -6.524 -8.761 5.730 1.00 0.00 C ATOM 374 CG GLU A 24 -7.693 -7.802 5.891 1.00 0.00 C ATOM 375 CD GLU A 24 -8.966 -8.501 6.327 1.00 0.00 C ATOM 376 OE1 GLU A 24 -9.015 -9.747 6.252 1.00 0.00 O ATOM 377 OE2 GLU A 24 -9.914 -7.802 6.744 1.00 0.00 O ATOM 0 H GLU A 24 -6.675 -8.728 3.255 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.322 -7.142 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.889 -9.697 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.117 -8.992 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.433 -7.038 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.870 -7.289 4.946 1.00 0.00 H new ATOM 384 N ASN A 25 -3.934 -10.143 4.900 1.00 0.00 N ATOM 385 CA ASN A 25 -2.713 -10.877 5.205 1.00 0.00 C ATOM 386 C ASN A 25 -1.519 -10.259 4.487 1.00 0.00 C ATOM 387 O ASN A 25 -0.514 -9.914 5.111 1.00 0.00 O ATOM 388 CB ASN A 25 -2.861 -12.346 4.804 1.00 0.00 C ATOM 389 CG ASN A 25 -4.124 -12.973 5.361 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.206 -12.826 4.792 1.00 0.00 O ATOM 391 ND2 ASN A 25 -3.992 -13.676 6.479 1.00 0.00 N ATOM 0 H ASN A 25 -4.650 -10.693 4.426 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.540 -10.819 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.869 -12.424 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.995 -12.905 5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.807 -14.121 6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.075 -13.771 6.916 1.00 0.00 H new ATOM 398 N LEU A 26 -1.636 -10.116 3.170 1.00 0.00 N ATOM 399 CA LEU A 26 -0.567 -9.534 2.368 1.00 0.00 C ATOM 400 C LEU A 26 -0.113 -8.204 2.960 1.00 0.00 C ATOM 401 O LEU A 26 1.073 -8.002 3.225 1.00 0.00 O ATOM 402 CB LEU A 26 -1.035 -9.331 0.925 1.00 0.00 C ATOM 403 CG LEU A 26 -0.024 -8.639 0.009 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.364 -9.231 0.202 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.459 -8.755 -1.444 1.00 0.00 C ATOM 0 H LEU A 26 -2.460 -10.395 2.637 1.00 0.00 H new ATOM 0 HA LEU A 26 0.277 -10.223 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.283 -10.303 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.954 -8.745 0.936 1.00 0.00 H new ATOM 0 HG LEU A 26 0.016 -7.582 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.070 -8.726 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.676 -9.097 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.342 -10.295 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.271 -8.258 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.526 -9.807 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.433 -8.283 -1.571 1.00 0.00 H new ATOM 417 N LYS A 27 -1.066 -7.302 3.170 1.00 0.00 N ATOM 418 CA LYS A 27 -0.766 -5.993 3.737 1.00 0.00 C ATOM 419 C LYS A 27 -0.096 -6.139 5.097 1.00 0.00 C ATOM 420 O LYS A 27 0.867 -5.435 5.406 1.00 0.00 O ATOM 421 CB LYS A 27 -2.046 -5.166 3.870 1.00 0.00 C ATOM 422 CG LYS A 27 -2.831 -5.047 2.573 1.00 0.00 C ATOM 423 CD LYS A 27 -3.160 -3.599 2.251 1.00 0.00 C ATOM 424 CE LYS A 27 -4.231 -3.498 1.175 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.400 -2.100 0.689 1.00 0.00 N ATOM 0 H LYS A 27 -2.052 -7.454 2.956 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.080 -5.477 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.683 -5.618 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.788 -4.167 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.254 -5.480 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.754 -5.622 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.501 -3.092 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.258 -3.085 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.967 -4.144 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.179 -3.862 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.335 -1.997 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.323 -1.442 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.660 -1.883 -0.009 1.00 0.00 H new ATOM 439 N ALA A 28 -0.608 -7.062 5.906 1.00 0.00 N ATOM 440 CA ALA A 28 -0.055 -7.305 7.231 1.00 0.00 C ATOM 441 C ALA A 28 1.454 -7.498 7.161 1.00 0.00 C ATOM 442 O ALA A 28 2.198 -6.978 7.991 1.00 0.00 O ATOM 443 CB ALA A 28 -0.719 -8.518 7.865 1.00 0.00 C ATOM 0 H ALA A 28 -1.404 -7.653 5.666 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.256 -6.432 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.296 -8.688 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.791 -8.341 7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.546 -9.395 7.241 1.00 0.00 H new ATOM 449 N LYS A 29 1.901 -8.248 6.157 1.00 0.00 N ATOM 450 CA LYS A 29 3.323 -8.506 5.971 1.00 0.00 C ATOM 451 C LYS A 29 4.058 -7.225 5.596 1.00 0.00 C ATOM 452 O LYS A 29 5.106 -6.909 6.159 1.00 0.00 O ATOM 453 CB LYS A 29 3.535 -9.565 4.887 1.00 0.00 C ATOM 454 CG LYS A 29 2.721 -10.831 5.107 1.00 0.00 C ATOM 455 CD LYS A 29 2.736 -11.257 6.565 1.00 0.00 C ATOM 456 CE LYS A 29 1.926 -12.524 6.783 1.00 0.00 C ATOM 457 NZ LYS A 29 2.095 -13.062 8.161 1.00 0.00 N ATOM 0 H LYS A 29 1.298 -8.687 5.461 1.00 0.00 H new ATOM 0 HA LYS A 29 3.727 -8.877 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.274 -9.139 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.593 -9.825 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.693 -10.664 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.121 -11.634 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.764 -11.421 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.333 -10.455 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.872 -12.316 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.231 -13.279 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.526 -13.926 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.097 -13.285 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.780 -12.352 8.852 1.00 0.00 H new ATOM 471 N ILE A 30 3.497 -6.487 4.642 1.00 0.00 N ATOM 472 CA ILE A 30 4.097 -5.237 4.193 1.00 0.00 C ATOM 473 C ILE A 30 4.171 -4.226 5.332 1.00 0.00 C ATOM 474 O ILE A 30 4.928 -3.256 5.268 1.00 0.00 O ATOM 475 CB ILE A 30 3.305 -4.621 3.024 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.042 -5.674 1.947 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.057 -3.434 2.440 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.513 -5.096 0.652 1.00 0.00 C ATOM 0 H ILE A 30 2.629 -6.734 4.166 1.00 0.00 H new ATOM 0 HA ILE A 30 5.105 -5.473 3.853 1.00 0.00 H new ATOM 0 HB ILE A 30 2.346 -4.267 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.967 -6.213 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.327 -6.402 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.484 -3.010 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.197 -2.677 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.030 -3.764 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.350 -5.900 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.571 -4.582 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.237 -4.389 0.246 1.00 0.00 H new ATOM 490 N GLN A 31 3.381 -4.459 6.375 1.00 0.00 N ATOM 491 CA GLN A 31 3.358 -3.569 7.529 1.00 0.00 C ATOM 492 C GLN A 31 4.385 -4.003 8.569 1.00 0.00 C ATOM 493 O GLN A 31 4.865 -3.189 9.359 1.00 0.00 O ATOM 494 CB GLN A 31 1.961 -3.546 8.154 1.00 0.00 C ATOM 495 CG GLN A 31 1.768 -2.431 9.168 1.00 0.00 C ATOM 496 CD GLN A 31 0.379 -2.428 9.776 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.248 -3.477 9.926 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.109 -1.244 10.131 1.00 0.00 N ATOM 0 H GLN A 31 2.749 -5.256 6.444 1.00 0.00 H new ATOM 0 HA GLN A 31 3.613 -2.565 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.219 -3.439 7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.773 -4.504 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.508 -2.535 9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.951 -1.471 8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.446 -0.400 9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.038 -1.179 10.546 1.00 0.00 H new ATOM 507 N ASP A 32 4.720 -5.289 8.563 1.00 0.00 N ATOM 508 CA ASP A 32 5.690 -5.832 9.504 1.00 0.00 C ATOM 509 C ASP A 32 7.104 -5.755 8.935 1.00 0.00 C ATOM 510 O ASP A 32 8.048 -5.398 9.639 1.00 0.00 O ATOM 511 CB ASP A 32 5.346 -7.277 9.848 1.00 0.00 C ATOM 512 CG ASP A 32 5.185 -7.495 11.340 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.785 -6.724 12.120 1.00 0.00 O ATOM 514 OD2 ASP A 32 4.462 -8.435 11.729 1.00 0.00 O ATOM 0 H ASP A 32 4.333 -5.975 7.915 1.00 0.00 H new ATOM 0 HA ASP A 32 5.650 -5.231 10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.423 -7.558 9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.130 -7.934 9.470 1.00 0.00 H new ATOM 519 N LYS A 33 7.241 -6.093 7.658 1.00 0.00 N ATOM 520 CA LYS A 33 8.537 -6.062 6.993 1.00 0.00 C ATOM 521 C LYS A 33 8.960 -4.627 6.694 1.00 0.00 C ATOM 522 O LYS A 33 10.047 -4.196 7.079 1.00 0.00 O ATOM 523 CB LYS A 33 8.485 -6.873 5.697 1.00 0.00 C ATOM 524 CG LYS A 33 9.190 -8.216 5.789 1.00 0.00 C ATOM 525 CD LYS A 33 10.699 -8.062 5.699 1.00 0.00 C ATOM 526 CE LYS A 33 11.139 -7.686 4.293 1.00 0.00 C ATOM 527 NZ LYS A 33 12.413 -8.357 3.911 1.00 0.00 N ATOM 0 H LYS A 33 6.469 -6.392 7.062 1.00 0.00 H new ATOM 0 HA LYS A 33 9.274 -6.506 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.443 -7.038 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.937 -6.289 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.929 -8.701 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.841 -8.866 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.030 -7.297 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.179 -8.995 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.358 -7.959 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.265 -6.605 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.678 -8.074 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.165 -8.077 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.286 -9.389 3.947 1.00 0.00 H new ATOM 541 N GLU A 34 8.092 -3.893 6.005 1.00 0.00 N ATOM 542 CA GLU A 34 8.374 -2.506 5.654 1.00 0.00 C ATOM 543 C GLU A 34 7.835 -1.556 6.720 1.00 0.00 C ATOM 544 O GLU A 34 8.597 -0.853 7.382 1.00 0.00 O ATOM 545 CB GLU A 34 7.761 -2.166 4.295 1.00 0.00 C ATOM 546 CG GLU A 34 8.788 -2.016 3.185 1.00 0.00 C ATOM 547 CD GLU A 34 9.809 -0.935 3.479 1.00 0.00 C ATOM 548 OE1 GLU A 34 9.399 0.221 3.713 1.00 0.00 O ATOM 549 OE2 GLU A 34 11.019 -1.245 3.474 1.00 0.00 O ATOM 0 H GLU A 34 7.188 -4.235 5.679 1.00 0.00 H new ATOM 0 HA GLU A 34 9.456 -2.385 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.052 -2.947 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.195 -1.239 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.302 -2.966 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.277 -1.784 2.251 1.00 0.00 H new ATOM 556 N GLY A 35 6.516 -1.542 6.879 1.00 0.00 N ATOM 557 CA GLY A 35 5.897 -0.675 7.865 1.00 0.00 C ATOM 558 C GLY A 35 4.806 0.193 7.273 1.00 0.00 C ATOM 559 O GLY A 35 4.565 1.306 7.743 1.00 0.00 O ATOM 0 H GLY A 35 5.864 -2.115 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.478 -1.283 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.660 -0.038 8.314 1.00 0.00 H new ATOM 563 N ILE A 36 4.142 -0.314 6.239 1.00 0.00 N ATOM 564 CA ILE A 36 3.070 0.426 5.584 1.00 0.00 C ATOM 565 C ILE A 36 1.702 -0.058 6.054 1.00 0.00 C ATOM 566 O ILE A 36 1.436 -1.259 6.094 1.00 0.00 O ATOM 567 CB ILE A 36 3.147 0.291 4.051 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.605 0.316 3.588 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.352 1.402 3.381 1.00 0.00 C ATOM 570 CD1 ILE A 36 4.782 -0.037 2.127 1.00 0.00 C ATOM 0 H ILE A 36 4.327 -1.233 5.837 1.00 0.00 H new ATOM 0 HA ILE A 36 3.198 1.474 5.857 1.00 0.00 H new ATOM 0 HB ILE A 36 2.711 -0.665 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.017 1.309 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.182 -0.382 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.416 1.293 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.309 1.341 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.761 2.369 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.840 0.001 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.400 -1.042 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.233 0.675 1.511 1.00 0.00 H new ATOM 582 N PRO A 37 0.814 0.880 6.418 1.00 0.00 N ATOM 583 CA PRO A 37 -0.531 0.555 6.888 1.00 0.00 C ATOM 584 C PRO A 37 -1.496 0.280 5.739 1.00 0.00 C ATOM 585 O PRO A 37 -1.396 0.886 4.672 1.00 0.00 O ATOM 586 CB PRO A 37 -0.939 1.817 7.642 1.00 0.00 C ATOM 587 CG PRO A 37 -0.222 2.923 6.944 1.00 0.00 C ATOM 588 CD PRO A 37 1.055 2.335 6.400 1.00 0.00 C ATOM 0 HA PRO A 37 -0.552 -0.351 7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.019 1.964 7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.653 1.761 8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.833 3.333 6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.009 3.741 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.261 2.693 5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.913 2.605 7.016 1.00 0.00 H new ATOM 596 N PRO A 38 -2.444 -0.644 5.947 1.00 0.00 N ATOM 597 CA PRO A 38 -3.436 -1.008 4.928 1.00 0.00 C ATOM 598 C PRO A 38 -4.276 0.185 4.486 1.00 0.00 C ATOM 599 O PRO A 38 -4.786 0.217 3.365 1.00 0.00 O ATOM 600 CB PRO A 38 -4.315 -2.048 5.632 1.00 0.00 C ATOM 601 CG PRO A 38 -3.484 -2.560 6.759 1.00 0.00 C ATOM 602 CD PRO A 38 -2.623 -1.409 7.191 1.00 0.00 C ATOM 0 HA PRO A 38 -2.963 -1.379 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.240 -1.601 5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.596 -2.852 4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.111 -2.908 7.580 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.875 -3.406 6.442 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.105 -0.813 7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.670 -1.748 7.597 1.00 0.00 H new ATOM 610 N ASP A 39 -4.419 1.164 5.373 1.00 0.00 N ATOM 611 CA ASP A 39 -5.200 2.359 5.077 1.00 0.00 C ATOM 612 C ASP A 39 -4.466 3.266 4.094 1.00 0.00 C ATOM 613 O ASP A 39 -5.030 4.240 3.593 1.00 0.00 O ATOM 614 CB ASP A 39 -5.509 3.124 6.365 1.00 0.00 C ATOM 615 CG ASP A 39 -4.345 3.980 6.823 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.478 3.460 7.558 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.298 5.170 6.447 1.00 0.00 O ATOM 0 H ASP A 39 -4.003 1.153 6.304 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.136 2.043 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.382 3.757 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.767 2.415 7.152 1.00 0.00 H new ATOM 622 N GLN A 40 -3.206 2.943 3.819 1.00 0.00 N ATOM 623 CA GLN A 40 -2.399 3.729 2.894 1.00 0.00 C ATOM 624 C GLN A 40 -1.736 2.835 1.849 1.00 0.00 C ATOM 625 O GLN A 40 -0.923 3.298 1.049 1.00 0.00 O ATOM 626 CB GLN A 40 -1.331 4.517 3.656 1.00 0.00 C ATOM 627 CG GLN A 40 -1.876 5.287 4.847 1.00 0.00 C ATOM 628 CD GLN A 40 -0.914 6.351 5.341 1.00 0.00 C ATOM 629 OE1 GLN A 40 -0.146 6.123 6.276 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.952 7.520 4.714 1.00 0.00 N ATOM 0 H GLN A 40 -2.722 2.142 4.224 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.061 4.427 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.561 3.828 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.850 5.216 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.821 5.756 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.091 4.591 5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.605 7.665 3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.328 8.274 5.002 1.00 0.00 H new ATOM 639 N GLN A 41 -2.087 1.553 1.863 1.00 0.00 N ATOM 640 CA GLN A 41 -1.522 0.597 0.915 1.00 0.00 C ATOM 641 C GLN A 41 -2.367 0.521 -0.352 1.00 0.00 C ATOM 642 O GLN A 41 -3.584 0.342 -0.289 1.00 0.00 O ATOM 643 CB GLN A 41 -1.421 -0.788 1.557 1.00 0.00 C ATOM 644 CG GLN A 41 -0.033 -1.117 2.082 1.00 0.00 C ATOM 645 CD GLN A 41 0.083 -2.549 2.564 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.032 -3.489 1.771 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.238 -2.724 3.872 1.00 0.00 N ATOM 0 H GLN A 41 -2.758 1.152 2.518 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.524 0.940 0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.135 -0.851 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.711 -1.541 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.700 -0.942 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.211 -0.441 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.275 -1.916 4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.320 -3.666 4.254 1.00 0.00 H new ATOM 656 N ARG A 42 -1.715 0.656 -1.502 1.00 0.00 N ATOM 657 CA ARG A 42 -2.405 0.600 -2.785 1.00 0.00 C ATOM 658 C ARG A 42 -1.757 -0.428 -3.707 1.00 0.00 C ATOM 659 O ARG A 42 -0.706 -0.174 -4.294 1.00 0.00 O ATOM 660 CB ARG A 42 -2.400 1.976 -3.453 1.00 0.00 C ATOM 661 CG ARG A 42 -3.778 2.607 -3.559 1.00 0.00 C ATOM 662 CD ARG A 42 -4.075 3.063 -4.978 1.00 0.00 C ATOM 663 NE ARG A 42 -5.498 2.986 -5.292 1.00 0.00 N ATOM 664 CZ ARG A 42 -6.406 3.822 -4.800 1.00 0.00 C ATOM 665 NH1 ARG A 42 -6.040 4.791 -3.973 1.00 0.00 N ATOM 666 NH2 ARG A 42 -7.684 3.689 -5.134 1.00 0.00 N ATOM 0 H ARG A 42 -0.708 0.805 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.436 0.298 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.747 2.642 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.974 1.884 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.534 1.889 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.842 3.458 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.730 4.089 -5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.515 2.447 -5.681 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.813 2.250 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.059 4.896 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.739 5.431 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.970 2.944 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.380 4.332 -4.755 1.00 0.00 H new ATOM 680 N LEU A 43 -2.391 -1.590 -3.829 1.00 0.00 N ATOM 681 CA LEU A 43 -1.875 -2.656 -4.680 1.00 0.00 C ATOM 682 C LEU A 43 -2.423 -2.534 -6.098 1.00 0.00 C ATOM 683 O LEU A 43 -3.606 -2.774 -6.339 1.00 0.00 O ATOM 684 CB LEU A 43 -2.235 -4.024 -4.097 1.00 0.00 C ATOM 685 CG LEU A 43 -1.600 -4.339 -2.741 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.383 -5.430 -2.027 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.146 -4.750 -2.918 1.00 0.00 C ATOM 0 H LEU A 43 -3.262 -1.817 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.790 -2.561 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.319 -4.085 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.937 -4.795 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.630 -3.439 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.917 -5.641 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.409 -5.097 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.385 -6.334 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.291 -4.971 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.093 -5.637 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.407 -3.937 -3.388 1.00 0.00 H new ATOM 699 N ILE A 44 -1.554 -2.159 -7.031 1.00 0.00 N ATOM 700 CA ILE A 44 -1.950 -2.005 -8.426 1.00 0.00 C ATOM 701 C ILE A 44 -1.300 -3.072 -9.302 1.00 0.00 C ATOM 702 O ILE A 44 -0.339 -2.797 -10.021 1.00 0.00 O ATOM 703 CB ILE A 44 -1.574 -0.614 -8.968 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.241 0.481 -8.132 1.00 0.00 C ATOM 705 CG2 ILE A 44 -1.971 -0.488 -10.431 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.749 0.369 -8.082 1.00 0.00 C ATOM 0 H ILE A 44 -0.572 -1.956 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.034 -2.119 -8.461 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.493 -0.493 -8.895 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.848 0.441 -7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.970 1.455 -8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.698 0.501 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.452 -1.248 -11.016 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.048 -0.627 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.154 1.177 -7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.153 0.439 -9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.028 -0.590 -7.645 1.00 0.00 H new ATOM 718 N PHE A 45 -1.828 -4.289 -9.234 1.00 0.00 N ATOM 719 CA PHE A 45 -1.299 -5.398 -10.019 1.00 0.00 C ATOM 720 C PHE A 45 -1.593 -5.206 -11.504 1.00 0.00 C ATOM 721 O PHE A 45 -2.665 -5.570 -11.987 1.00 0.00 O ATOM 722 CB PHE A 45 -1.898 -6.721 -9.536 1.00 0.00 C ATOM 723 CG PHE A 45 -1.452 -7.911 -10.338 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.285 -7.861 -11.091 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.201 -9.082 -10.338 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.127 -8.957 -11.832 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.794 -10.182 -11.076 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.628 -10.120 -11.824 1.00 0.00 C ATOM 0 H PHE A 45 -2.623 -4.533 -8.643 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.218 -5.423 -9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.625 -6.874 -8.492 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.985 -6.654 -9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.307 -6.958 -11.099 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.110 -9.135 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.035 -8.905 -12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.384 -11.086 -11.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.308 -10.976 -12.399 1.00 0.00 H new ATOM 738 N ALA A 46 -0.632 -4.635 -12.223 1.00 0.00 N ATOM 739 CA ALA A 46 -0.787 -4.395 -13.653 1.00 0.00 C ATOM 740 C ALA A 46 -2.086 -3.653 -13.951 1.00 0.00 C ATOM 741 O ALA A 46 -2.606 -3.716 -15.065 1.00 0.00 O ATOM 742 CB ALA A 46 -0.743 -5.711 -14.415 1.00 0.00 C ATOM 0 H ALA A 46 0.262 -4.330 -11.839 1.00 0.00 H new ATOM 0 HA ALA A 46 0.041 -3.767 -13.982 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.860 -5.518 -15.481 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.214 -6.202 -14.238 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.551 -6.357 -14.072 1.00 0.00 H new ATOM 748 N GLY A 47 -2.603 -2.950 -12.949 1.00 0.00 N ATOM 749 CA GLY A 47 -3.837 -2.206 -13.127 1.00 0.00 C ATOM 750 C GLY A 47 -4.973 -2.756 -12.287 1.00 0.00 C ATOM 751 O GLY A 47 -6.061 -2.183 -12.250 1.00 0.00 O ATOM 0 H GLY A 47 -2.191 -2.882 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.669 -1.161 -12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.123 -2.229 -14.179 1.00 0.00 H new ATOM 755 N LYS A 48 -4.718 -3.871 -11.611 1.00 0.00 N ATOM 756 CA LYS A 48 -5.725 -4.501 -10.766 1.00 0.00 C ATOM 757 C LYS A 48 -5.589 -4.037 -9.319 1.00 0.00 C ATOM 758 O LYS A 48 -4.640 -4.403 -8.626 1.00 0.00 O ATOM 759 CB LYS A 48 -5.603 -6.024 -10.839 1.00 0.00 C ATOM 760 CG LYS A 48 -6.302 -6.633 -12.044 1.00 0.00 C ATOM 761 CD LYS A 48 -7.682 -7.158 -11.679 1.00 0.00 C ATOM 762 CE LYS A 48 -8.382 -7.767 -12.883 1.00 0.00 C ATOM 763 NZ LYS A 48 -9.534 -8.621 -12.482 1.00 0.00 N ATOM 0 H LYS A 48 -3.822 -4.357 -11.632 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.708 -4.205 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.548 -6.295 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.020 -6.458 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.392 -5.884 -12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.696 -7.446 -12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.591 -7.907 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.287 -6.345 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.732 -6.971 -13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.670 -8.363 -13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.984 -9.018 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.197 -9.396 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.226 -8.047 -11.959 1.00 0.00 H new ATOM 777 N GLN A 49 -6.544 -3.228 -8.871 1.00 0.00 N ATOM 778 CA GLN A 49 -6.531 -2.714 -7.506 1.00 0.00 C ATOM 779 C GLN A 49 -7.118 -3.732 -6.534 1.00 0.00 C ATOM 780 O GLN A 49 -8.318 -4.006 -6.556 1.00 0.00 O ATOM 781 CB GLN A 49 -7.318 -1.404 -7.427 1.00 0.00 C ATOM 782 CG GLN A 49 -6.854 -0.481 -6.312 1.00 0.00 C ATOM 783 CD GLN A 49 -6.300 -1.239 -5.121 1.00 0.00 C ATOM 784 OE1 GLN A 49 -5.102 -1.508 -5.045 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.174 -1.587 -4.183 1.00 0.00 N ATOM 0 H GLN A 49 -7.336 -2.915 -9.433 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.495 -2.527 -7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.233 -0.881 -8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.374 -1.632 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.089 0.192 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.690 0.139 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.159 -1.343 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.860 -2.098 -3.358 1.00 0.00 H new ATOM 794 N LEU A 50 -6.265 -4.287 -5.680 1.00 0.00 N ATOM 795 CA LEU A 50 -6.701 -5.275 -4.698 1.00 0.00 C ATOM 796 C LEU A 50 -7.467 -4.606 -3.560 1.00 0.00 C ATOM 797 O LEU A 50 -6.972 -3.672 -2.931 1.00 0.00 O ATOM 798 CB LEU A 50 -5.497 -6.037 -4.139 1.00 0.00 C ATOM 799 CG LEU A 50 -4.573 -6.649 -5.192 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.461 -7.447 -4.528 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.364 -7.528 -6.149 1.00 0.00 C ATOM 0 H LEU A 50 -5.269 -4.070 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.366 -5.979 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.914 -5.358 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.860 -6.833 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.119 -5.840 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.813 -7.875 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.876 -6.790 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.895 -8.248 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.690 -7.955 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.846 -8.331 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.123 -6.928 -6.651 1.00 0.00 H new ATOM 813 N GLU A 51 -8.678 -5.091 -3.304 1.00 0.00 N ATOM 814 CA GLU A 51 -9.512 -4.538 -2.242 1.00 0.00 C ATOM 815 C GLU A 51 -9.522 -5.454 -1.023 1.00 0.00 C ATOM 816 O GLU A 51 -9.567 -6.678 -1.153 1.00 0.00 O ATOM 817 CB GLU A 51 -10.940 -4.325 -2.747 1.00 0.00 C ATOM 818 CG GLU A 51 -11.015 -3.928 -4.212 1.00 0.00 C ATOM 819 CD GLU A 51 -12.423 -3.581 -4.651 1.00 0.00 C ATOM 820 OE1 GLU A 51 -12.874 -2.452 -4.364 1.00 0.00 O ATOM 821 OE2 GLU A 51 -13.077 -4.438 -5.282 1.00 0.00 O ATOM 0 H GLU A 51 -9.103 -5.864 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.091 -3.577 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.510 -5.242 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.418 -3.552 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.363 -3.072 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.638 -4.746 -4.826 1.00 0.00 H new ATOM 828 N ASP A 52 -9.479 -4.853 0.162 1.00 0.00 N ATOM 829 CA ASP A 52 -9.484 -5.609 1.404 1.00 0.00 C ATOM 830 C ASP A 52 -10.682 -6.550 1.465 1.00 0.00 C ATOM 831 O ASP A 52 -11.806 -6.162 1.143 1.00 0.00 O ATOM 832 CB ASP A 52 -9.508 -4.656 2.599 1.00 0.00 C ATOM 833 CG ASP A 52 -8.712 -3.388 2.351 1.00 0.00 C ATOM 834 OD1 ASP A 52 -9.279 -2.435 1.777 1.00 0.00 O ATOM 835 OD2 ASP A 52 -7.523 -3.350 2.731 1.00 0.00 O ATOM 0 H ASP A 52 -9.440 -3.841 0.286 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.575 -6.209 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.541 -4.393 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.107 -5.167 3.474 1.00 0.00 H new ATOM 840 N GLY A 53 -10.436 -7.788 1.880 1.00 0.00 N ATOM 841 CA GLY A 53 -11.505 -8.764 1.976 1.00 0.00 C ATOM 842 C GLY A 53 -11.465 -9.780 0.852 1.00 0.00 C ATOM 843 O GLY A 53 -12.044 -10.860 0.962 1.00 0.00 O ATOM 0 H GLY A 53 -9.515 -8.133 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.435 -9.282 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.465 -8.249 1.962 1.00 0.00 H new ATOM 847 N ARG A 54 -10.780 -9.432 -0.234 1.00 0.00 N ATOM 848 CA ARG A 54 -10.669 -10.323 -1.382 1.00 0.00 C ATOM 849 C ARG A 54 -9.451 -11.232 -1.249 1.00 0.00 C ATOM 850 O ARG A 54 -8.411 -10.822 -0.732 1.00 0.00 O ATOM 851 CB ARG A 54 -10.577 -9.512 -2.676 1.00 0.00 C ATOM 852 CG ARG A 54 -11.621 -8.412 -2.779 1.00 0.00 C ATOM 853 CD ARG A 54 -12.659 -8.727 -3.843 1.00 0.00 C ATOM 854 NE ARG A 54 -13.671 -9.663 -3.359 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.911 -9.720 -3.838 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.289 -8.898 -4.807 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.773 -10.600 -3.346 1.00 0.00 N ATOM 0 H ARG A 54 -10.295 -8.541 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.563 -10.946 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.584 -9.067 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.686 -10.186 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.114 -8.285 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.133 -7.466 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.142 -7.804 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.165 -9.148 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.413 -10.308 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.629 -8.220 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.240 -8.944 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.485 -11.233 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.723 -10.643 -3.714 1.00 0.00 H new ATOM 871 N THR A 55 -9.588 -12.467 -1.717 1.00 0.00 N ATOM 872 CA THR A 55 -8.501 -13.436 -1.651 1.00 0.00 C ATOM 873 C THR A 55 -7.640 -13.376 -2.909 1.00 0.00 C ATOM 874 O THR A 55 -8.147 -13.166 -4.010 1.00 0.00 O ATOM 875 CB THR A 55 -9.058 -14.848 -1.468 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.962 -15.169 -2.510 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.784 -15.040 -0.154 1.00 0.00 C ATOM 0 H THR A 55 -10.442 -12.821 -2.147 1.00 0.00 H new ATOM 0 HA THR A 55 -7.877 -13.185 -0.793 1.00 0.00 H new ATOM 0 HB THR A 55 -8.189 -15.505 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.307 -16.077 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.154 -16.063 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.099 -14.848 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.623 -14.347 -0.097 1.00 0.00 H new ATOM 885 N LEU A 56 -6.335 -13.559 -2.737 1.00 0.00 N ATOM 886 CA LEU A 56 -5.404 -13.525 -3.859 1.00 0.00 C ATOM 887 C LEU A 56 -5.970 -14.279 -5.058 1.00 0.00 C ATOM 888 O LEU A 56 -5.924 -13.792 -6.188 1.00 0.00 O ATOM 889 CB LEU A 56 -4.058 -14.128 -3.451 1.00 0.00 C ATOM 890 CG LEU A 56 -3.497 -13.619 -2.123 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.100 -14.172 -1.888 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.482 -12.098 -2.099 1.00 0.00 C ATOM 0 H LEU A 56 -5.898 -13.732 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.256 -12.484 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.165 -15.211 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.332 -13.923 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.144 -13.968 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.716 -13.799 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.139 -15.261 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.442 -13.853 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.080 -11.753 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.858 -11.727 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.498 -11.722 -2.221 1.00 0.00 H new ATOM 904 N SER A 57 -6.506 -15.468 -4.804 1.00 0.00 N ATOM 905 CA SER A 57 -7.082 -16.289 -5.863 1.00 0.00 C ATOM 906 C SER A 57 -8.141 -15.513 -6.639 1.00 0.00 C ATOM 907 O SER A 57 -8.175 -15.550 -7.869 1.00 0.00 O ATOM 908 CB SER A 57 -7.694 -17.562 -5.273 1.00 0.00 C ATOM 909 OG SER A 57 -9.059 -17.688 -5.633 1.00 0.00 O ATOM 0 H SER A 57 -6.554 -15.885 -3.874 1.00 0.00 H new ATOM 0 HA SER A 57 -6.283 -16.563 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.140 -18.432 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.602 -17.544 -4.187 1.00 0.00 H new ATOM 0 HG SER A 57 -9.425 -18.510 -5.245 1.00 0.00 H new ATOM 915 N ASP A 58 -9.002 -14.810 -5.913 1.00 0.00 N ATOM 916 CA ASP A 58 -10.063 -14.025 -6.533 1.00 0.00 C ATOM 917 C ASP A 58 -9.526 -13.221 -7.712 1.00 0.00 C ATOM 918 O ASP A 58 -10.199 -13.071 -8.732 1.00 0.00 O ATOM 919 CB ASP A 58 -10.698 -13.085 -5.506 1.00 0.00 C ATOM 920 CG ASP A 58 -11.531 -13.826 -4.479 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.961 -14.963 -4.771 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.751 -13.273 -3.382 1.00 0.00 O ATOM 0 H ASP A 58 -8.986 -14.767 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.823 -14.714 -6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.914 -12.525 -4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.325 -12.358 -6.022 1.00 0.00 H new ATOM 927 N TYR A 59 -8.310 -12.705 -7.564 1.00 0.00 N ATOM 928 CA TYR A 59 -7.683 -11.914 -8.617 1.00 0.00 C ATOM 929 C TYR A 59 -6.867 -12.803 -9.550 1.00 0.00 C ATOM 930 O TYR A 59 -5.939 -12.338 -10.212 1.00 0.00 O ATOM 931 CB TYR A 59 -6.787 -10.834 -8.008 1.00 0.00 C ATOM 932 CG TYR A 59 -7.556 -9.694 -7.380 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.147 -8.709 -8.170 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.694 -9.600 -5.996 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.853 -7.662 -7.599 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.397 -8.556 -5.416 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.975 -7.590 -6.222 1.00 0.00 C ATOM 938 OH TYR A 59 -9.676 -6.553 -5.651 1.00 0.00 O ATOM 0 H TYR A 59 -7.740 -12.820 -6.726 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.472 -11.435 -9.197 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.146 -11.289 -7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.133 -10.436 -8.784 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.053 -8.763 -9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.246 -10.353 -5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.305 -6.907 -8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.493 -8.496 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.333 -5.700 -5.990 1.00 0.00 H new ATOM 948 N ASN A 60 -7.220 -14.083 -9.598 1.00 0.00 N ATOM 949 CA ASN A 60 -6.520 -15.037 -10.450 1.00 0.00 C ATOM 950 C ASN A 60 -5.019 -14.765 -10.452 1.00 0.00 C ATOM 951 O ASN A 60 -4.460 -14.319 -11.454 1.00 0.00 O ATOM 952 CB ASN A 60 -7.064 -14.971 -11.879 1.00 0.00 C ATOM 953 CG ASN A 60 -7.250 -13.546 -12.361 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.134 -12.831 -11.892 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.415 -13.126 -13.305 1.00 0.00 N ATOM 0 H ASN A 60 -7.986 -14.484 -9.057 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.689 -16.037 -10.050 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.381 -15.492 -12.549 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.019 -15.495 -11.926 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.493 -12.176 -13.669 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.696 -13.753 -13.666 1.00 0.00 H new ATOM 962 N LEU A 61 -4.373 -15.035 -9.323 1.00 0.00 N ATOM 963 CA LEU A 61 -2.937 -14.819 -9.193 1.00 0.00 C ATOM 964 C LEU A 61 -2.163 -16.095 -9.508 1.00 0.00 C ATOM 965 O LEU A 61 -2.737 -17.183 -9.560 1.00 0.00 O ATOM 966 CB LEU A 61 -2.597 -14.337 -7.782 1.00 0.00 C ATOM 967 CG LEU A 61 -2.695 -12.825 -7.574 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.396 -12.146 -7.982 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.867 -12.253 -8.357 1.00 0.00 C ATOM 0 H LEU A 61 -4.821 -15.404 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.645 -14.052 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.265 -14.830 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.584 -14.657 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.865 -12.633 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.483 -11.071 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.577 -12.534 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.196 -12.346 -9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.921 -11.176 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.728 -12.455 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.793 -12.717 -8.017 1.00 0.00 H new ATOM 981 N GLN A 62 -0.859 -15.953 -9.717 1.00 0.00 N ATOM 982 CA GLN A 62 -0.006 -17.095 -10.028 1.00 0.00 C ATOM 983 C GLN A 62 1.235 -17.103 -9.142 1.00 0.00 C ATOM 984 O GLN A 62 1.506 -16.138 -8.427 1.00 0.00 O ATOM 985 CB GLN A 62 0.403 -17.067 -11.502 1.00 0.00 C ATOM 986 CG GLN A 62 -0.640 -17.659 -12.435 1.00 0.00 C ATOM 987 CD GLN A 62 -1.213 -16.634 -13.394 1.00 0.00 C ATOM 988 OE1 GLN A 62 -1.648 -15.558 -12.983 1.00 0.00 O ATOM 989 NE2 GLN A 62 -1.216 -16.964 -14.681 1.00 0.00 N ATOM 0 H GLN A 62 -0.369 -15.059 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.574 -18.005 -9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.598 -16.036 -11.797 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.338 -17.615 -11.621 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.192 -18.473 -13.004 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.448 -18.090 -11.844 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.845 -17.867 -14.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.589 -16.314 -15.373 1.00 0.00 H new ATOM 998 N LYS A 63 1.987 -18.198 -9.194 1.00 0.00 N ATOM 999 CA LYS A 63 3.200 -18.331 -8.396 1.00 0.00 C ATOM 1000 C LYS A 63 4.264 -17.336 -8.851 1.00 0.00 C ATOM 1001 O LYS A 63 4.641 -17.307 -10.022 1.00 0.00 O ATOM 1002 CB LYS A 63 3.745 -19.758 -8.492 1.00 0.00 C ATOM 1003 CG LYS A 63 4.562 -20.179 -7.281 1.00 0.00 C ATOM 1004 CD LYS A 63 4.725 -21.689 -7.217 1.00 0.00 C ATOM 1005 CE LYS A 63 6.170 -22.082 -6.952 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.661 -23.089 -7.933 1.00 0.00 N ATOM 0 H LYS A 63 1.777 -19.006 -9.780 1.00 0.00 H new ATOM 0 HA LYS A 63 2.947 -18.115 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.911 -20.449 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.364 -19.842 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.544 -19.707 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.076 -19.826 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.087 -22.092 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.392 -22.132 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.801 -21.195 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.257 -22.486 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.649 -23.330 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.075 -23.946 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.602 -22.695 -8.894 1.00 0.00 H new ATOM 1020 N GLU A 64 4.743 -16.522 -7.916 1.00 0.00 N ATOM 1021 CA GLU A 64 5.763 -15.525 -8.221 1.00 0.00 C ATOM 1022 C GLU A 64 5.193 -14.415 -9.098 1.00 0.00 C ATOM 1023 O GLU A 64 5.508 -14.323 -10.284 1.00 0.00 O ATOM 1024 CB GLU A 64 6.955 -16.181 -8.920 1.00 0.00 C ATOM 1025 CG GLU A 64 7.288 -17.564 -8.385 1.00 0.00 C ATOM 1026 CD GLU A 64 8.677 -18.024 -8.785 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.182 -17.551 -9.825 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.258 -18.859 -8.060 1.00 0.00 O ATOM 0 H GLU A 64 4.442 -16.533 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 64 6.098 -15.086 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.745 -16.254 -9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.828 -15.538 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.210 -17.558 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.552 -18.279 -8.753 1.00 0.00 H new ATOM 1035 N SER A 65 4.351 -13.575 -8.507 1.00 0.00 N ATOM 1036 CA SER A 65 3.736 -12.472 -9.234 1.00 0.00 C ATOM 1037 C SER A 65 4.412 -11.148 -8.891 1.00 0.00 C ATOM 1038 O SER A 65 5.059 -11.022 -7.852 1.00 0.00 O ATOM 1039 CB SER A 65 2.242 -12.392 -8.914 1.00 0.00 C ATOM 1040 OG SER A 65 1.614 -13.650 -9.093 1.00 0.00 O ATOM 0 H SER A 65 4.079 -13.637 -7.526 1.00 0.00 H new ATOM 0 HA SER A 65 3.863 -12.659 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.105 -12.056 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.768 -11.651 -9.557 1.00 0.00 H new ATOM 0 HG SER A 65 1.949 -14.281 -8.423 1.00 0.00 H new ATOM 1046 N THR A 66 4.257 -10.165 -9.771 1.00 0.00 N ATOM 1047 CA THR A 66 4.853 -8.850 -9.561 1.00 0.00 C ATOM 1048 C THR A 66 3.774 -7.802 -9.308 1.00 0.00 C ATOM 1049 O THR A 66 3.185 -7.264 -10.246 1.00 0.00 O ATOM 1050 CB THR A 66 5.696 -8.450 -10.773 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.745 -9.378 -10.982 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.318 -7.077 -10.641 1.00 0.00 C ATOM 0 H THR A 66 3.724 -10.253 -10.636 1.00 0.00 H new ATOM 0 HA THR A 66 5.497 -8.904 -8.683 1.00 0.00 H new ATOM 0 HB THR A 66 5.005 -8.439 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.272 -9.106 -11.762 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.902 -6.855 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.532 -6.331 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.969 -7.055 -9.767 1.00 0.00 H new ATOM 1060 N ILE A 67 3.520 -7.517 -8.034 1.00 0.00 N ATOM 1061 CA ILE A 67 2.512 -6.534 -7.659 1.00 0.00 C ATOM 1062 C ILE A 67 3.141 -5.172 -7.393 1.00 0.00 C ATOM 1063 O ILE A 67 4.139 -5.065 -6.680 1.00 0.00 O ATOM 1064 CB ILE A 67 1.733 -6.980 -6.406 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.059 -8.331 -6.651 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.703 -5.929 -6.021 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.355 -9.357 -5.581 1.00 0.00 C ATOM 0 H ILE A 67 3.998 -7.953 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 67 1.822 -6.453 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 67 2.436 -7.091 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.019 -8.184 -6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.384 -8.720 -7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.161 -6.258 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.207 -4.986 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.002 -5.788 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.844 -10.290 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.430 -9.533 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.005 -8.989 -4.617 1.00 0.00 H new ATOM 1079 N HIS A 68 2.551 -4.131 -7.973 1.00 0.00 N ATOM 1080 CA HIS A 68 3.053 -2.772 -7.801 1.00 0.00 C ATOM 1081 C HIS A 68 2.384 -2.091 -6.611 1.00 0.00 C ATOM 1082 O HIS A 68 1.262 -1.596 -6.717 1.00 0.00 O ATOM 1083 CB HIS A 68 2.816 -1.954 -9.072 1.00 0.00 C ATOM 1084 CG HIS A 68 2.963 -2.749 -10.332 1.00 0.00 C ATOM 1085 ND1 HIS A 68 2.608 -2.265 -11.573 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.430 -4.003 -10.538 1.00 0.00 C ATOM 1087 CE1 HIS A 68 2.849 -3.187 -12.488 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.350 -4.250 -11.886 1.00 0.00 N ATOM 0 H HIS A 68 1.724 -4.203 -8.566 1.00 0.00 H new ATOM 0 HA HIS A 68 4.124 -2.829 -7.608 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.814 -1.526 -9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.518 -1.121 -9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.797 -4.682 -9.783 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.667 -3.088 -13.548 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.632 -5.115 -12.348 1.00 0.00 H new ATOM 1097 N LEU A 69 3.081 -2.068 -5.481 1.00 0.00 N ATOM 1098 CA LEU A 69 2.555 -1.447 -4.271 1.00 0.00 C ATOM 1099 C LEU A 69 2.878 0.042 -4.241 1.00 0.00 C ATOM 1100 O LEU A 69 4.040 0.435 -4.154 1.00 0.00 O ATOM 1101 CB LEU A 69 3.127 -2.129 -3.027 1.00 0.00 C ATOM 1102 CG LEU A 69 2.561 -1.626 -1.698 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.196 -2.242 -1.433 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.520 -1.936 -0.559 1.00 0.00 C ATOM 0 H LEU A 69 4.012 -2.472 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 69 1.472 -1.568 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.943 -3.201 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.208 -1.991 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 69 2.442 -0.544 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.808 -1.873 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.511 -1.968 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.289 -3.327 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.101 -1.571 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.671 -3.013 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.476 -1.446 -0.745 1.00 0.00 H new ATOM 1116 N VAL A 70 1.837 0.865 -4.312 1.00 0.00 N ATOM 1117 CA VAL A 70 2.007 2.311 -4.293 1.00 0.00 C ATOM 1118 C VAL A 70 1.310 2.929 -3.086 1.00 0.00 C ATOM 1119 O VAL A 70 0.304 2.407 -2.602 1.00 0.00 O ATOM 1120 CB VAL A 70 1.458 2.960 -5.576 1.00 0.00 C ATOM 1121 CG1 VAL A 70 2.248 2.495 -6.789 1.00 0.00 C ATOM 1122 CG2 VAL A 70 -0.022 2.648 -5.740 1.00 0.00 C ATOM 0 H VAL A 70 0.868 0.554 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 70 3.078 2.502 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 70 1.570 4.041 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.846 2.964 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.295 2.775 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.171 1.412 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.393 3.115 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.162 1.569 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.573 3.037 -4.883 1.00 0.00 H new ATOM 1132 N LEU A 71 1.851 4.041 -2.608 1.00 0.00 N ATOM 1133 CA LEU A 71 1.286 4.736 -1.458 1.00 0.00 C ATOM 1134 C LEU A 71 0.069 5.561 -1.865 1.00 0.00 C ATOM 1135 O LEU A 71 -0.019 6.039 -2.997 1.00 0.00 O ATOM 1136 CB LEU A 71 2.338 5.641 -0.815 1.00 0.00 C ATOM 1137 CG LEU A 71 3.421 4.910 -0.020 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.823 4.254 1.215 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.117 3.876 -0.891 1.00 0.00 C ATOM 0 H LEU A 71 2.683 4.483 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 71 0.969 3.987 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.817 6.229 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.834 6.344 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 71 4.163 5.640 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.607 3.738 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.372 5.017 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.061 3.536 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.884 3.366 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.387 3.148 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.579 4.371 -1.745 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.867 5.726 -0.936 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.079 6.494 -1.198 1.00 0.00 C ATOM 1153 C ARG A 72 -1.982 7.887 -0.586 1.00 0.00 C ATOM 1154 O ARG A 72 -1.205 8.115 0.342 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.301 5.762 -0.641 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.609 6.506 -0.862 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.809 5.617 -0.580 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.111 5.542 0.845 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.223 5.003 1.335 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -8.132 4.494 0.515 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -7.428 4.975 2.645 1.00 0.00 N ATOM 0 H ARG A 72 -0.809 5.338 0.006 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.188 6.598 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.369 4.779 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.161 5.600 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.644 7.383 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.655 6.866 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.678 6.000 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.616 4.615 -0.963 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.431 5.924 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.979 4.516 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.985 4.081 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.732 5.368 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.282 4.561 3.019 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.776 8.816 -1.108 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.777 10.187 -0.611 1.00 0.00 C ATOM 1177 C LEU A 73 -4.106 10.524 0.053 1.00 0.00 C ATOM 1178 O LEU A 73 -4.169 11.360 0.954 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.498 11.168 -1.750 1.00 0.00 C ATOM 1180 CG LEU A 73 -1.020 11.373 -2.082 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -0.264 10.057 -1.979 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -0.862 11.973 -3.471 1.00 0.00 C ATOM 0 H LEU A 73 -3.427 8.645 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.987 10.276 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.010 10.816 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.934 12.133 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.598 12.070 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.787 10.221 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.348 9.667 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.688 9.338 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.197 12.112 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.300 11.301 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.370 12.937 -3.511 1.00 0.00 H new ATOM 1194 N ARG A 74 -5.161 9.863 -0.400 1.00 0.00 N ATOM 1195 CA ARG A 74 -6.499 10.082 0.142 1.00 0.00 C ATOM 1196 C ARG A 74 -7.566 9.615 -0.843 1.00 0.00 C ATOM 1197 O ARG A 74 -8.635 9.153 -0.441 1.00 0.00 O ATOM 1198 CB ARG A 74 -6.710 11.560 0.476 1.00 0.00 C ATOM 1199 CG ARG A 74 -6.241 12.508 -0.616 1.00 0.00 C ATOM 1200 CD ARG A 74 -5.810 13.849 -0.042 1.00 0.00 C ATOM 1201 NE ARG A 74 -4.416 13.836 0.395 1.00 0.00 N ATOM 1202 CZ ARG A 74 -3.696 14.935 0.589 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -4.235 16.129 0.387 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -2.434 14.841 0.986 1.00 0.00 N ATOM 0 H ARG A 74 -5.118 9.167 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.590 9.497 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.770 11.733 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.180 11.794 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.409 12.058 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.044 12.661 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.947 14.626 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.452 14.105 0.801 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.971 12.933 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.205 16.206 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.680 16.971 0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.016 13.924 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.882 15.686 1.135 1.00 0.00 H new ATOM 1218 N GLY A 75 -7.270 9.739 -2.131 1.00 0.00 N ATOM 1219 CA GLY A 75 -8.215 9.328 -3.152 1.00 0.00 C ATOM 1220 C GLY A 75 -9.036 10.485 -3.684 1.00 0.00 C ATOM 1221 O GLY A 75 -8.882 11.621 -3.235 1.00 0.00 O ATOM 0 H GLY A 75 -6.392 10.117 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.675 8.861 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.883 8.572 -2.740 1.00 0.00 H new ATOM 1225 N GLY A 76 -9.912 10.198 -4.641 1.00 0.00 N ATOM 1226 CA GLY A 76 -10.748 11.235 -5.216 1.00 0.00 C ATOM 1227 C GLY A 76 -11.879 10.671 -6.054 1.00 0.00 C ATOM 1228 O GLY A 76 -11.832 10.820 -7.293 1.00 0.00 O ATOM 1229 OXT GLY A 76 -12.811 10.079 -5.470 1.00 0.00 O ATOM 0 H GLY A 76 -10.058 9.266 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.164 11.848 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.135 11.891 -5.834 1.00 0.00 H new TER 1233 GLY A 76