USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.135 (180deg=-0.627) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -9:sc= 0.78 USER MOD Single : A 8 CYS SG : rot -77:sc= -2.53! USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.12) USER MOD Single : A 20 SER OG : rot 3:sc= 0.184 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -16:sc= 0.851 USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.55) USER MOD Single : A 38 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 39 MET CE :methyl -149:sc=-0.00418 (180deg=-0.214) USER MOD Single : A 46 THR OG1 : rot -79:sc= 1.16 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -43:sc= 0.751 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0741) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -35:sc= 0.931 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.03) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.641 (180deg=0.446) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.212 -21.985 -2.643 1.00 0.00 N ATOM 2 CA MET A 1 -9.749 -20.980 -3.589 1.00 0.00 C ATOM 3 C MET A 1 -9.773 -19.610 -2.924 1.00 0.00 C ATOM 4 O MET A 1 -10.814 -19.161 -2.437 1.00 0.00 O ATOM 5 CB MET A 1 -11.163 -21.375 -4.033 1.00 0.00 C ATOM 6 CG MET A 1 -11.776 -20.435 -5.058 1.00 0.00 C ATOM 7 SD MET A 1 -13.513 -20.807 -5.381 1.00 0.00 S ATOM 8 CE MET A 1 -13.392 -22.502 -5.948 1.00 0.00 C ATOM 0 H1 MET A 1 -9.197 -22.919 -3.100 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.245 -21.719 -2.366 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.816 -22.023 -1.797 1.00 0.00 H new ATOM 0 HA MET A 1 -9.106 -20.939 -4.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.133 -22.381 -4.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.810 -21.412 -3.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.687 -19.408 -4.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.214 -20.501 -5.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.317 -22.785 -6.450 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.558 -22.594 -6.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.227 -23.160 -5.095 1.00 0.00 H new ATOM 20 N SER A 2 -8.617 -18.964 -2.869 1.00 0.00 N ATOM 21 CA SER A 2 -8.483 -17.685 -2.188 1.00 0.00 C ATOM 22 C SER A 2 -7.210 -16.967 -2.619 1.00 0.00 C ATOM 23 O SER A 2 -6.108 -17.495 -2.475 1.00 0.00 O ATOM 24 CB SER A 2 -8.452 -17.884 -0.667 1.00 0.00 C ATOM 25 OG SER A 2 -9.647 -18.486 -0.191 1.00 0.00 O ATOM 0 H SER A 2 -7.754 -19.307 -3.291 1.00 0.00 H new ATOM 0 HA SER A 2 -9.346 -17.077 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.599 -18.507 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.310 -16.921 -0.177 1.00 0.00 H new ATOM 0 HG SER A 2 -10.305 -18.526 -0.916 1.00 0.00 H new ATOM 31 N ILE A 3 -7.368 -15.769 -3.158 1.00 0.00 N ATOM 32 CA ILE A 3 -6.234 -14.895 -3.412 1.00 0.00 C ATOM 33 C ILE A 3 -6.378 -13.648 -2.560 1.00 0.00 C ATOM 34 O ILE A 3 -5.855 -12.587 -2.882 1.00 0.00 O ATOM 35 CB ILE A 3 -6.090 -14.499 -4.899 1.00 0.00 C ATOM 36 CG1 ILE A 3 -7.259 -13.623 -5.359 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.983 -15.744 -5.763 1.00 0.00 C ATOM 38 CD1 ILE A 3 -7.046 -13.019 -6.730 1.00 0.00 C ATOM 0 H ILE A 3 -8.271 -15.379 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.331 -15.446 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.177 -13.914 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.171 -14.221 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.411 -12.822 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.882 -15.454 -6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.110 -16.322 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.880 -16.350 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.910 -12.410 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.152 -12.396 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.923 -13.816 -7.464 1.00 0.00 H new ATOM 50 N GLU A 4 -7.096 -13.819 -1.457 1.00 0.00 N ATOM 51 CA GLU A 4 -7.385 -12.743 -0.520 1.00 0.00 C ATOM 52 C GLU A 4 -6.121 -12.002 -0.097 1.00 0.00 C ATOM 53 O GLU A 4 -5.293 -12.522 0.652 1.00 0.00 O ATOM 54 CB GLU A 4 -8.091 -13.308 0.710 1.00 0.00 C ATOM 55 CG GLU A 4 -7.502 -14.626 1.176 1.00 0.00 C ATOM 56 CD GLU A 4 -8.057 -15.073 2.506 1.00 0.00 C ATOM 57 OE1 GLU A 4 -7.889 -14.344 3.499 1.00 0.00 O ATOM 58 OE2 GLU A 4 -8.677 -16.155 2.565 1.00 0.00 O ATOM 0 H GLU A 4 -7.497 -14.717 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.034 -12.027 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.032 -12.583 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.148 -13.448 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.701 -15.393 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.419 -14.529 1.253 1.00 0.00 H new ATOM 65 N VAL A 5 -5.979 -10.788 -0.595 1.00 0.00 N ATOM 66 CA VAL A 5 -4.850 -9.952 -0.244 1.00 0.00 C ATOM 67 C VAL A 5 -5.219 -9.077 0.944 1.00 0.00 C ATOM 68 O VAL A 5 -6.169 -8.298 0.878 1.00 0.00 O ATOM 69 CB VAL A 5 -4.413 -9.052 -1.417 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.005 -8.536 -1.188 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.504 -9.793 -2.740 1.00 0.00 C ATOM 0 H VAL A 5 -6.636 -10.359 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.017 -10.608 0.007 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.093 -8.201 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.709 -7.902 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.975 -7.957 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.317 -9.378 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.190 -9.133 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.855 -10.668 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.533 -10.110 -2.909 1.00 0.00 H new ATOM 81 N ARG A 6 -4.490 -9.233 2.033 1.00 0.00 N ATOM 82 CA ARG A 6 -4.743 -8.461 3.240 1.00 0.00 C ATOM 83 C ARG A 6 -3.482 -7.716 3.651 1.00 0.00 C ATOM 84 O ARG A 6 -2.385 -8.078 3.230 1.00 0.00 O ATOM 85 CB ARG A 6 -5.193 -9.373 4.379 1.00 0.00 C ATOM 86 CG ARG A 6 -6.366 -10.255 4.045 1.00 0.00 C ATOM 87 CD ARG A 6 -6.580 -11.280 5.134 1.00 0.00 C ATOM 88 NE ARG A 6 -7.760 -12.113 4.919 1.00 0.00 N ATOM 89 CZ ARG A 6 -8.777 -12.190 5.774 1.00 0.00 C ATOM 90 NH1 ARG A 6 -8.830 -11.379 6.822 1.00 0.00 N ATOM 91 NH2 ARG A 6 -9.754 -13.060 5.565 1.00 0.00 N ATOM 0 H ARG A 6 -3.714 -9.890 2.109 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.538 -7.745 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.354 -10.002 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.451 -8.757 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.264 -9.648 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.193 -10.757 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.700 -11.919 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.675 -10.768 6.092 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.808 -12.668 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.090 -10.694 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.611 -11.440 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.727 -13.671 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.533 -13.119 6.220 1.00 0.00 H new ATOM 105 N ASP A 7 -3.635 -6.692 4.481 1.00 0.00 N ATOM 106 CA ASP A 7 -2.494 -5.914 4.954 1.00 0.00 C ATOM 107 C ASP A 7 -1.835 -6.624 6.136 1.00 0.00 C ATOM 108 O ASP A 7 -2.123 -7.794 6.406 1.00 0.00 O ATOM 109 CB ASP A 7 -2.930 -4.491 5.347 1.00 0.00 C ATOM 110 CG ASP A 7 -3.762 -4.436 6.618 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.375 -5.456 6.989 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.788 -3.370 7.263 1.00 0.00 O ATOM 0 H ASP A 7 -4.537 -6.380 4.841 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.767 -5.830 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.043 -3.872 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.504 -4.057 4.528 1.00 0.00 H new ATOM 117 N CYS A 8 -0.968 -5.921 6.854 1.00 0.00 N ATOM 118 CA CYS A 8 -0.259 -6.518 7.984 1.00 0.00 C ATOM 119 C CYS A 8 -1.202 -6.737 9.169 1.00 0.00 C ATOM 120 O CYS A 8 -0.835 -7.359 10.167 1.00 0.00 O ATOM 121 CB CYS A 8 0.909 -5.626 8.402 1.00 0.00 C ATOM 122 SG CYS A 8 0.420 -3.940 8.833 1.00 0.00 S ATOM 0 H CYS A 8 -0.738 -4.943 6.677 1.00 0.00 H new ATOM 0 HA CYS A 8 0.126 -7.488 7.670 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.412 -6.078 9.257 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.634 -5.588 7.589 1.00 0.00 H new ATOM 0 HG CYS A 8 0.188 -3.265 7.747 1.00 0.00 H new ATOM 128 N ASN A 9 -2.417 -6.224 9.045 1.00 0.00 N ATOM 129 CA ASN A 9 -3.415 -6.335 10.096 1.00 0.00 C ATOM 130 C ASN A 9 -4.351 -7.490 9.793 1.00 0.00 C ATOM 131 O ASN A 9 -4.788 -8.216 10.689 1.00 0.00 O ATOM 132 CB ASN A 9 -4.220 -5.044 10.177 1.00 0.00 C ATOM 133 CG ASN A 9 -4.733 -4.751 11.574 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.021 -4.181 12.400 1.00 0.00 O ATOM 135 ND2 ASN A 9 -5.982 -5.100 11.831 1.00 0.00 N ATOM 0 H ASN A 9 -2.737 -5.722 8.217 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.913 -6.513 11.047 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.598 -4.213 9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.065 -5.106 9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.390 -4.898 12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.537 -5.571 11.117 1.00 0.00 H new ATOM 142 N GLY A 10 -4.652 -7.647 8.516 1.00 0.00 N ATOM 143 CA GLY A 10 -5.556 -8.684 8.086 1.00 0.00 C ATOM 144 C GLY A 10 -6.748 -8.106 7.363 1.00 0.00 C ATOM 145 O GLY A 10 -7.710 -8.814 7.064 1.00 0.00 O ATOM 0 H GLY A 10 -4.281 -7.067 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.031 -9.378 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.894 -9.256 8.950 1.00 0.00 H new ATOM 149 N ALA A 11 -6.679 -6.815 7.075 1.00 0.00 N ATOM 150 CA ALA A 11 -7.738 -6.133 6.357 1.00 0.00 C ATOM 151 C ALA A 11 -7.580 -6.362 4.863 1.00 0.00 C ATOM 152 O ALA A 11 -6.500 -6.166 4.308 1.00 0.00 O ATOM 153 CB ALA A 11 -7.732 -4.646 6.679 1.00 0.00 C ATOM 0 H ALA A 11 -5.893 -6.217 7.331 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.698 -6.541 6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.534 -4.152 6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.884 -4.505 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.774 -4.215 6.388 1.00 0.00 H new ATOM 159 N LEU A 12 -8.654 -6.793 4.226 1.00 0.00 N ATOM 160 CA LEU A 12 -8.624 -7.126 2.812 1.00 0.00 C ATOM 161 C LEU A 12 -8.486 -5.884 1.943 1.00 0.00 C ATOM 162 O LEU A 12 -9.092 -4.847 2.213 1.00 0.00 O ATOM 163 CB LEU A 12 -9.883 -7.903 2.436 1.00 0.00 C ATOM 164 CG LEU A 12 -9.871 -9.372 2.861 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.282 -9.932 2.911 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.021 -10.184 1.898 1.00 0.00 C ATOM 0 H LEU A 12 -9.564 -6.921 4.669 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.748 -7.748 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.746 -7.414 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.018 -7.851 1.356 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.442 -9.437 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.248 -10.978 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.874 -9.364 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.739 -9.856 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.018 -11.229 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.434 -10.105 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.000 -9.801 1.902 1.00 0.00 H new ATOM 178 N LEU A 13 -7.677 -6.013 0.904 1.00 0.00 N ATOM 179 CA LEU A 13 -7.445 -4.942 -0.049 1.00 0.00 C ATOM 180 C LEU A 13 -8.213 -5.212 -1.333 1.00 0.00 C ATOM 181 O LEU A 13 -8.803 -6.283 -1.499 1.00 0.00 O ATOM 182 CB LEU A 13 -5.950 -4.826 -0.358 1.00 0.00 C ATOM 183 CG LEU A 13 -5.071 -4.397 0.817 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.601 -4.577 0.477 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.350 -2.949 1.182 1.00 0.00 C ATOM 0 H LEU A 13 -7.161 -6.868 0.698 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.793 -4.005 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.595 -5.790 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.818 -4.110 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.309 -5.028 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.991 -4.267 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.405 -5.626 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.351 -3.968 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.717 -2.657 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.136 -2.310 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.398 -2.840 1.463 1.00 0.00 H new ATOM 197 N ALA A 14 -8.199 -4.245 -2.236 1.00 0.00 N ATOM 198 CA ALA A 14 -8.855 -4.389 -3.523 1.00 0.00 C ATOM 199 C ALA A 14 -8.305 -3.372 -4.513 1.00 0.00 C ATOM 200 O ALA A 14 -7.408 -2.600 -4.180 1.00 0.00 O ATOM 201 CB ALA A 14 -10.361 -4.227 -3.369 1.00 0.00 C ATOM 0 H ALA A 14 -7.737 -3.346 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.654 -5.388 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.840 -4.337 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.741 -4.989 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.581 -3.238 -2.966 1.00 0.00 H new ATOM 207 N ASP A 15 -8.825 -3.392 -5.731 1.00 0.00 N ATOM 208 CA ASP A 15 -8.458 -2.396 -6.732 1.00 0.00 C ATOM 209 C ASP A 15 -8.973 -1.021 -6.323 1.00 0.00 C ATOM 210 O ASP A 15 -10.172 -0.835 -6.103 1.00 0.00 O ATOM 211 CB ASP A 15 -9.020 -2.784 -8.103 1.00 0.00 C ATOM 212 CG ASP A 15 -8.739 -1.740 -9.164 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.658 -1.795 -9.786 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.602 -0.864 -9.388 1.00 0.00 O ATOM 0 H ASP A 15 -9.501 -4.085 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.371 -2.358 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.589 -3.736 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.097 -2.933 -8.021 1.00 0.00 H new ATOM 219 N GLY A 16 -8.062 -0.067 -6.201 1.00 0.00 N ATOM 220 CA GLY A 16 -8.438 1.269 -5.787 1.00 0.00 C ATOM 221 C GLY A 16 -8.385 1.426 -4.282 1.00 0.00 C ATOM 222 O GLY A 16 -9.116 2.232 -3.704 1.00 0.00 O ATOM 0 H GLY A 16 -7.066 -0.195 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.771 1.995 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.445 1.489 -6.140 1.00 0.00 H new ATOM 226 N ASP A 17 -7.528 0.640 -3.646 1.00 0.00 N ATOM 227 CA ASP A 17 -7.377 0.676 -2.195 1.00 0.00 C ATOM 228 C ASP A 17 -6.171 1.533 -1.819 1.00 0.00 C ATOM 229 O ASP A 17 -5.419 1.968 -2.694 1.00 0.00 O ATOM 230 CB ASP A 17 -7.196 -0.744 -1.660 1.00 0.00 C ATOM 231 CG ASP A 17 -7.742 -0.923 -0.257 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.421 -0.108 0.629 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.497 -1.894 -0.035 1.00 0.00 O ATOM 0 H ASP A 17 -6.923 -0.035 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.272 1.113 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.694 -1.445 -2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.136 -0.996 -1.666 1.00 0.00 H new ATOM 238 N ASN A 18 -5.978 1.770 -0.528 1.00 0.00 N ATOM 239 CA ASN A 18 -4.848 2.560 -0.058 1.00 0.00 C ATOM 240 C ASN A 18 -4.168 1.912 1.141 1.00 0.00 C ATOM 241 O ASN A 18 -4.814 1.366 2.033 1.00 0.00 O ATOM 242 CB ASN A 18 -5.255 4.000 0.290 1.00 0.00 C ATOM 243 CG ASN A 18 -6.497 4.111 1.161 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.865 3.195 1.889 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.129 5.269 1.109 1.00 0.00 N ATOM 0 H ASN A 18 -6.590 1.426 0.212 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.138 2.596 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.424 4.486 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.425 4.550 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.954 5.426 1.687 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.792 6.007 0.490 1.00 0.00 H new ATOM 252 N VAL A 19 -2.849 1.987 1.147 1.00 0.00 N ATOM 253 CA VAL A 19 -2.045 1.427 2.222 1.00 0.00 C ATOM 254 C VAL A 19 -0.899 2.368 2.568 1.00 0.00 C ATOM 255 O VAL A 19 -0.753 3.428 1.961 1.00 0.00 O ATOM 256 CB VAL A 19 -1.469 0.035 1.866 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.578 -0.998 1.762 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.671 0.091 0.572 1.00 0.00 C ATOM 0 H VAL A 19 -2.305 2.436 0.410 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.707 1.307 3.080 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.796 -0.264 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.149 -1.968 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.101 -1.068 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.281 -0.700 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.277 -0.900 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.319 0.420 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.155 0.793 0.684 1.00 0.00 H new ATOM 268 N SER A 20 -0.104 1.993 3.556 1.00 0.00 N ATOM 269 CA SER A 20 1.034 2.795 3.971 1.00 0.00 C ATOM 270 C SER A 20 2.123 1.924 4.609 1.00 0.00 C ATOM 271 O SER A 20 1.844 0.836 5.111 1.00 0.00 O ATOM 272 CB SER A 20 0.570 3.892 4.935 1.00 0.00 C ATOM 273 OG SER A 20 -0.288 4.816 4.284 1.00 0.00 O ATOM 0 H SER A 20 -0.227 1.132 4.089 1.00 0.00 H new ATOM 0 HA SER A 20 1.471 3.264 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.050 3.441 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.436 4.417 5.337 1.00 0.00 H new ATOM 0 HG SER A 20 -0.436 4.529 3.359 1.00 0.00 H new ATOM 279 N LEU A 21 3.360 2.409 4.556 1.00 0.00 N ATOM 280 CA LEU A 21 4.523 1.690 5.079 1.00 0.00 C ATOM 281 C LEU A 21 4.494 1.602 6.604 1.00 0.00 C ATOM 282 O LEU A 21 4.368 2.623 7.285 1.00 0.00 O ATOM 283 CB LEU A 21 5.809 2.401 4.638 1.00 0.00 C ATOM 284 CG LEU A 21 6.358 2.023 3.258 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.896 0.610 3.281 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.301 2.169 2.177 1.00 0.00 C ATOM 0 H LEU A 21 3.588 3.316 4.148 1.00 0.00 H new ATOM 0 HA LEU A 21 4.495 0.676 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.627 3.476 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.582 2.200 5.380 1.00 0.00 H new ATOM 0 HG LEU A 21 7.170 2.711 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.283 0.352 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.697 0.538 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.095 -0.080 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.726 1.892 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.458 1.516 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.959 3.203 2.140 1.00 0.00 H new ATOM 298 N ILE A 22 4.631 0.387 7.139 1.00 0.00 N ATOM 299 CA ILE A 22 4.645 0.196 8.592 1.00 0.00 C ATOM 300 C ILE A 22 6.071 0.212 9.131 1.00 0.00 C ATOM 301 O ILE A 22 6.289 0.191 10.339 1.00 0.00 O ATOM 302 CB ILE A 22 3.971 -1.128 9.024 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.822 -2.334 8.609 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.576 -1.225 8.427 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.301 -3.657 9.127 1.00 0.00 C ATOM 0 H ILE A 22 4.733 -0.471 6.596 1.00 0.00 H new ATOM 0 HA ILE A 22 4.075 1.027 9.009 1.00 0.00 H new ATOM 0 HB ILE A 22 3.887 -1.134 10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.871 -2.375 7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.841 -2.189 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.111 -2.161 8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.972 -0.387 8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.643 -1.197 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.955 -4.462 8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.278 -3.637 10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.294 -3.826 8.746 1.00 0.00 H new ATOM 317 N LYS A 23 7.033 0.238 8.224 1.00 0.00 N ATOM 318 CA LYS A 23 8.440 0.283 8.586 1.00 0.00 C ATOM 319 C LYS A 23 9.236 0.794 7.392 1.00 0.00 C ATOM 320 O LYS A 23 8.659 1.076 6.342 1.00 0.00 O ATOM 321 CB LYS A 23 8.931 -1.113 9.005 1.00 0.00 C ATOM 322 CG LYS A 23 8.904 -2.125 7.872 1.00 0.00 C ATOM 323 CD LYS A 23 9.390 -3.499 8.302 1.00 0.00 C ATOM 324 CE LYS A 23 8.361 -4.217 9.154 1.00 0.00 C ATOM 325 NZ LYS A 23 8.851 -5.545 9.610 1.00 0.00 N ATOM 0 H LYS A 23 6.862 0.229 7.219 1.00 0.00 H new ATOM 0 HA LYS A 23 8.581 0.955 9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.949 -1.033 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.311 -1.478 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.887 -2.207 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.526 -1.764 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.614 -4.098 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.319 -3.397 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.115 -3.603 10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.442 -4.345 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.120 -6.005 10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.062 -6.140 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.714 -5.421 10.177 1.00 0.00 H new ATOM 339 N ASP A 24 10.542 0.929 7.551 1.00 0.00 N ATOM 340 CA ASP A 24 11.396 1.347 6.444 1.00 0.00 C ATOM 341 C ASP A 24 11.815 0.131 5.623 1.00 0.00 C ATOM 342 O ASP A 24 12.406 -0.811 6.158 1.00 0.00 O ATOM 343 CB ASP A 24 12.656 2.066 6.943 1.00 0.00 C ATOM 344 CG ASP A 24 12.411 2.991 8.115 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.513 3.850 8.037 1.00 0.00 O ATOM 346 OD2 ASP A 24 13.127 2.861 9.130 1.00 0.00 O ATOM 0 H ASP A 24 11.034 0.758 8.428 1.00 0.00 H new ATOM 0 HA ASP A 24 10.821 2.039 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.398 1.321 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.083 2.641 6.122 1.00 0.00 H new ATOM 351 N LEU A 25 11.507 0.147 4.333 1.00 0.00 N ATOM 352 CA LEU A 25 11.867 -0.953 3.440 1.00 0.00 C ATOM 353 C LEU A 25 12.807 -0.463 2.351 1.00 0.00 C ATOM 354 O LEU A 25 12.480 0.459 1.611 1.00 0.00 O ATOM 355 CB LEU A 25 10.628 -1.580 2.778 1.00 0.00 C ATOM 356 CG LEU A 25 9.741 -2.464 3.665 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.548 -3.557 4.351 1.00 0.00 C ATOM 358 CD2 LEU A 25 8.995 -1.640 4.686 1.00 0.00 C ATOM 0 H LEU A 25 11.007 0.911 3.878 1.00 0.00 H new ATOM 0 HA LEU A 25 12.359 -1.711 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.012 -0.774 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.962 -2.177 1.930 1.00 0.00 H new ATOM 0 HG LEU A 25 9.012 -2.944 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.887 -4.163 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.019 -4.188 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.317 -3.103 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.375 -2.294 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.708 -1.115 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.362 -0.914 4.176 1.00 0.00 H new ATOM 370 N LYS A 26 13.967 -1.081 2.247 1.00 0.00 N ATOM 371 CA LYS A 26 14.912 -0.717 1.209 1.00 0.00 C ATOM 372 C LYS A 26 14.841 -1.710 0.058 1.00 0.00 C ATOM 373 O LYS A 26 14.714 -2.919 0.265 1.00 0.00 O ATOM 374 CB LYS A 26 16.329 -0.641 1.773 1.00 0.00 C ATOM 375 CG LYS A 26 17.393 -0.285 0.742 1.00 0.00 C ATOM 376 CD LYS A 26 18.331 -1.454 0.480 1.00 0.00 C ATOM 377 CE LYS A 26 19.213 -1.744 1.685 1.00 0.00 C ATOM 378 NZ LYS A 26 20.015 -2.979 1.502 1.00 0.00 N ATOM 0 H LYS A 26 14.277 -1.832 2.863 1.00 0.00 H new ATOM 0 HA LYS A 26 14.647 0.270 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.351 0.100 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.581 -1.602 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.912 0.013 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.968 0.572 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.748 -2.341 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.956 -1.233 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.881 -0.900 1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.591 -1.844 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.576 -3.159 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.379 -3.784 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.653 -2.861 0.689 1.00 0.00 H new ATOM 392 N LEU A 27 14.918 -1.181 -1.146 1.00 0.00 N ATOM 393 CA LEU A 27 14.835 -1.972 -2.361 1.00 0.00 C ATOM 394 C LEU A 27 16.202 -2.105 -3.012 1.00 0.00 C ATOM 395 O LEU A 27 17.081 -1.258 -2.810 1.00 0.00 O ATOM 396 CB LEU A 27 13.858 -1.329 -3.351 1.00 0.00 C ATOM 397 CG LEU A 27 12.429 -1.875 -3.320 1.00 0.00 C ATOM 398 CD1 LEU A 27 12.432 -3.344 -3.694 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.795 -1.669 -1.952 1.00 0.00 C ATOM 0 H LEU A 27 15.041 -0.182 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 27 14.474 -2.965 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.823 -0.257 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.254 -1.455 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 27 11.831 -1.326 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.412 -3.728 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.841 -3.463 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.045 -3.899 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.780 -2.066 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.384 -2.189 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.767 -0.604 -1.721 1.00 0.00 H new ATOM 411 N LYS A 28 16.362 -3.172 -3.795 1.00 0.00 N ATOM 412 CA LYS A 28 17.600 -3.449 -4.517 1.00 0.00 C ATOM 413 C LYS A 28 18.728 -3.728 -3.524 1.00 0.00 C ATOM 414 O LYS A 28 18.476 -3.984 -2.343 1.00 0.00 O ATOM 415 CB LYS A 28 17.962 -2.269 -5.432 1.00 0.00 C ATOM 416 CG LYS A 28 18.652 -2.679 -6.721 1.00 0.00 C ATOM 417 CD LYS A 28 17.685 -3.371 -7.661 1.00 0.00 C ATOM 418 CE LYS A 28 18.378 -3.849 -8.924 1.00 0.00 C ATOM 419 NZ LYS A 28 17.416 -4.400 -9.910 1.00 0.00 N ATOM 0 H LYS A 28 15.633 -3.870 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 28 17.457 -4.331 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.053 -1.720 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.611 -1.584 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.071 -1.799 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.485 -3.345 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.228 -4.220 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.880 -2.685 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.924 -3.020 -9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.112 -4.613 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.930 -4.715 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.913 -5.207 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.730 -3.664 -10.174 1.00 0.00 H new ATOM 433 N GLY A 29 19.964 -3.702 -3.999 1.00 0.00 N ATOM 434 CA GLY A 29 21.092 -3.864 -3.110 1.00 0.00 C ATOM 435 C GLY A 29 21.241 -2.666 -2.200 1.00 0.00 C ATOM 436 O GLY A 29 21.194 -2.787 -0.975 1.00 0.00 O ATOM 0 H GLY A 29 20.204 -3.572 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.961 -4.766 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 29 22.003 -3.998 -3.693 1.00 0.00 H new ATOM 440 N SER A 30 21.406 -1.503 -2.807 1.00 0.00 N ATOM 441 CA SER A 30 21.477 -0.248 -2.082 1.00 0.00 C ATOM 442 C SER A 30 21.103 0.902 -3.011 1.00 0.00 C ATOM 443 O SER A 30 21.970 1.514 -3.637 1.00 0.00 O ATOM 444 CB SER A 30 22.879 -0.022 -1.506 1.00 0.00 C ATOM 445 OG SER A 30 23.269 -1.096 -0.663 1.00 0.00 O ATOM 0 H SER A 30 21.495 -1.403 -3.818 1.00 0.00 H new ATOM 0 HA SER A 30 20.773 -0.290 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 30 23.596 0.083 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 30 22.897 0.911 -0.942 1.00 0.00 H new ATOM 0 HG SER A 30 22.479 -1.621 -0.416 1.00 0.00 H new ATOM 451 N SER A 31 19.809 1.164 -3.137 1.00 0.00 N ATOM 452 CA SER A 31 19.349 2.246 -3.989 1.00 0.00 C ATOM 453 C SER A 31 18.121 2.929 -3.395 1.00 0.00 C ATOM 454 O SER A 31 18.233 3.980 -2.764 1.00 0.00 O ATOM 455 CB SER A 31 19.049 1.729 -5.402 1.00 0.00 C ATOM 456 OG SER A 31 18.724 2.796 -6.281 1.00 0.00 O ATOM 0 H SER A 31 19.068 0.647 -2.664 1.00 0.00 H new ATOM 0 HA SER A 31 20.147 2.986 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.914 1.189 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.222 1.020 -5.365 1.00 0.00 H new ATOM 0 HG SER A 31 18.539 2.439 -7.175 1.00 0.00 H new ATOM 462 N THR A 32 16.952 2.328 -3.569 1.00 0.00 N ATOM 463 CA THR A 32 15.723 2.960 -3.132 1.00 0.00 C ATOM 464 C THR A 32 15.378 2.544 -1.708 1.00 0.00 C ATOM 465 O THR A 32 14.935 1.427 -1.467 1.00 0.00 O ATOM 466 CB THR A 32 14.561 2.611 -4.078 1.00 0.00 C ATOM 467 OG1 THR A 32 14.972 2.828 -5.436 1.00 0.00 O ATOM 468 CG2 THR A 32 13.336 3.463 -3.777 1.00 0.00 C ATOM 0 H THR A 32 16.833 1.414 -4.005 1.00 0.00 H new ATOM 0 HA THR A 32 15.877 4.039 -3.153 1.00 0.00 H new ATOM 0 HB THR A 32 14.297 1.564 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.234 2.605 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.530 3.196 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.014 3.288 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.585 4.516 -3.905 1.00 0.00 H new ATOM 476 N VAL A 33 15.607 3.442 -0.768 1.00 0.00 N ATOM 477 CA VAL A 33 15.308 3.178 0.628 1.00 0.00 C ATOM 478 C VAL A 33 14.008 3.874 1.008 1.00 0.00 C ATOM 479 O VAL A 33 13.970 5.100 1.127 1.00 0.00 O ATOM 480 CB VAL A 33 16.433 3.685 1.555 1.00 0.00 C ATOM 481 CG1 VAL A 33 16.183 3.250 2.993 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.795 3.203 1.073 1.00 0.00 C ATOM 0 H VAL A 33 16.001 4.366 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 33 15.217 2.099 0.752 1.00 0.00 H new ATOM 0 HB VAL A 33 16.432 4.775 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.988 3.618 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.233 3.659 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.149 2.162 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.570 3.574 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.813 2.113 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.977 3.576 0.065 1.00 0.00 H new ATOM 492 N LEU A 34 12.941 3.107 1.158 1.00 0.00 N ATOM 493 CA LEU A 34 11.665 3.667 1.571 1.00 0.00 C ATOM 494 C LEU A 34 11.602 3.762 3.083 1.00 0.00 C ATOM 495 O LEU A 34 12.158 2.925 3.792 1.00 0.00 O ATOM 496 CB LEU A 34 10.486 2.841 1.058 1.00 0.00 C ATOM 497 CG LEU A 34 10.211 2.951 -0.441 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.053 1.956 -1.226 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.731 2.753 -0.709 1.00 0.00 C ATOM 0 H LEU A 34 12.932 2.099 1.001 1.00 0.00 H new ATOM 0 HA LEU A 34 11.590 4.663 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.665 1.794 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.589 3.145 1.598 1.00 0.00 H new ATOM 0 HG LEU A 34 10.493 3.949 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.837 2.056 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.110 2.155 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.816 0.943 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.541 2.833 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.427 1.767 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.160 3.517 -0.182 1.00 0.00 H new ATOM 511 N LYS A 35 10.933 4.784 3.572 1.00 0.00 N ATOM 512 CA LYS A 35 10.827 5.008 4.999 1.00 0.00 C ATOM 513 C LYS A 35 9.408 4.781 5.481 1.00 0.00 C ATOM 514 O LYS A 35 8.459 4.790 4.692 1.00 0.00 O ATOM 515 CB LYS A 35 11.281 6.421 5.348 1.00 0.00 C ATOM 516 CG LYS A 35 12.787 6.601 5.295 1.00 0.00 C ATOM 517 CD LYS A 35 13.473 5.942 6.479 1.00 0.00 C ATOM 518 CE LYS A 35 12.987 6.510 7.804 1.00 0.00 C ATOM 519 NZ LYS A 35 13.701 5.905 8.955 1.00 0.00 N ATOM 0 H LYS A 35 10.452 5.477 2.999 1.00 0.00 H new ATOM 0 HA LYS A 35 11.477 4.293 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.814 7.125 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.928 6.671 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.172 6.176 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.026 7.664 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.288 4.868 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.551 6.081 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.133 7.590 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.916 6.332 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.029 5.735 9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.129 5.003 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.447 6.553 9.280 1.00 0.00 H new ATOM 533 N ARG A 36 9.275 4.569 6.776 1.00 0.00 N ATOM 534 CA ARG A 36 7.977 4.427 7.402 1.00 0.00 C ATOM 535 C ARG A 36 7.170 5.710 7.228 1.00 0.00 C ATOM 536 O ARG A 36 7.718 6.812 7.301 1.00 0.00 O ATOM 537 CB ARG A 36 8.136 4.113 8.889 1.00 0.00 C ATOM 538 CG ARG A 36 6.833 3.709 9.549 1.00 0.00 C ATOM 539 CD ARG A 36 7.031 3.250 10.981 1.00 0.00 C ATOM 540 NE ARG A 36 5.756 2.847 11.575 1.00 0.00 N ATOM 541 CZ ARG A 36 5.555 2.629 12.872 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.551 2.733 13.741 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.347 2.283 13.292 1.00 0.00 N ATOM 0 H ARG A 36 10.061 4.491 7.421 1.00 0.00 H new ATOM 0 HA ARG A 36 7.448 3.603 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.863 3.310 9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.540 4.988 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.143 4.553 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.370 2.907 8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.730 2.414 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.474 4.055 11.568 1.00 0.00 H new ATOM 0 HE ARG A 36 4.961 2.724 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.486 2.983 13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.383 2.563 14.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.583 2.186 12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.181 2.113 14.284 1.00 0.00 H new ATOM 557 N GLY A 37 5.876 5.568 6.986 1.00 0.00 N ATOM 558 CA GLY A 37 5.025 6.728 6.820 1.00 0.00 C ATOM 559 C GLY A 37 4.712 7.012 5.365 1.00 0.00 C ATOM 560 O GLY A 37 3.920 7.901 5.058 1.00 0.00 O ATOM 0 H GLY A 37 5.399 4.670 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.094 6.573 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.512 7.598 7.261 1.00 0.00 H new ATOM 564 N THR A 38 5.346 6.266 4.471 1.00 0.00 N ATOM 565 CA THR A 38 5.082 6.401 3.048 1.00 0.00 C ATOM 566 C THR A 38 3.707 5.829 2.710 1.00 0.00 C ATOM 567 O THR A 38 3.435 4.658 2.975 1.00 0.00 O ATOM 568 CB THR A 38 6.156 5.677 2.211 1.00 0.00 C ATOM 569 OG1 THR A 38 7.461 6.124 2.604 1.00 0.00 O ATOM 570 CG2 THR A 38 5.958 5.937 0.724 1.00 0.00 C ATOM 0 H THR A 38 6.046 5.562 4.707 1.00 0.00 H new ATOM 0 HA THR A 38 5.107 7.463 2.804 1.00 0.00 H new ATOM 0 HB THR A 38 6.062 4.606 2.391 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.855 5.477 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.729 5.415 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.976 5.576 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.027 7.007 0.529 1.00 0.00 H new ATOM 578 N MET A 39 2.841 6.656 2.148 1.00 0.00 N ATOM 579 CA MET A 39 1.515 6.213 1.771 1.00 0.00 C ATOM 580 C MET A 39 1.506 5.695 0.343 1.00 0.00 C ATOM 581 O MET A 39 1.985 6.354 -0.580 1.00 0.00 O ATOM 582 CB MET A 39 0.491 7.340 1.932 1.00 0.00 C ATOM 583 CG MET A 39 -0.827 7.065 1.221 1.00 0.00 C ATOM 584 SD MET A 39 -2.143 8.188 1.718 1.00 0.00 S ATOM 585 CE MET A 39 -2.534 7.524 3.335 1.00 0.00 C ATOM 0 H MET A 39 3.035 7.636 1.944 1.00 0.00 H new ATOM 0 HA MET A 39 1.235 5.398 2.439 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.297 7.496 2.993 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.917 8.266 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.676 7.145 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.136 6.040 1.424 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.591 7.684 3.548 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.318 6.456 3.352 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.931 8.028 4.091 1.00 0.00 H new ATOM 595 N ILE A 40 0.966 4.507 0.184 1.00 0.00 N ATOM 596 CA ILE A 40 0.776 3.920 -1.131 1.00 0.00 C ATOM 597 C ILE A 40 -0.716 3.800 -1.415 1.00 0.00 C ATOM 598 O ILE A 40 -1.360 2.838 -1.005 1.00 0.00 O ATOM 599 CB ILE A 40 1.436 2.528 -1.244 1.00 0.00 C ATOM 600 CG1 ILE A 40 2.896 2.586 -0.789 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.350 2.016 -2.675 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.620 1.260 -0.894 1.00 0.00 C ATOM 0 H ILE A 40 0.647 3.921 0.955 1.00 0.00 H new ATOM 0 HA ILE A 40 1.253 4.572 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 40 0.898 1.839 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.425 3.327 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.932 2.928 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.819 1.034 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.304 1.938 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.865 2.708 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.649 1.379 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.116 0.520 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.617 0.925 -1.931 1.00 0.00 H new ATOM 614 N ARG A 41 -1.273 4.795 -2.084 1.00 0.00 N ATOM 615 CA ARG A 41 -2.705 4.815 -2.346 1.00 0.00 C ATOM 616 C ARG A 41 -2.989 4.614 -3.827 1.00 0.00 C ATOM 617 O ARG A 41 -2.244 5.086 -4.685 1.00 0.00 O ATOM 618 CB ARG A 41 -3.348 6.107 -1.811 1.00 0.00 C ATOM 619 CG ARG A 41 -2.619 7.395 -2.174 1.00 0.00 C ATOM 620 CD ARG A 41 -2.957 7.872 -3.578 1.00 0.00 C ATOM 621 NE ARG A 41 -4.386 8.156 -3.732 1.00 0.00 N ATOM 622 CZ ARG A 41 -4.873 9.281 -4.250 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.057 10.239 -4.671 1.00 0.00 N ATOM 624 NH2 ARG A 41 -6.185 9.448 -4.351 1.00 0.00 N ATOM 0 H ARG A 41 -0.761 5.596 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.160 3.982 -1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.369 6.168 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.412 6.039 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.880 8.172 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.544 7.236 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.382 8.770 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.658 7.113 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.050 7.446 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.047 10.117 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.440 11.098 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.818 8.715 -4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.560 10.309 -4.748 1.00 0.00 H new ATOM 638 N GLY A 42 -4.057 3.890 -4.114 1.00 0.00 N ATOM 639 CA GLY A 42 -4.380 3.556 -5.480 1.00 0.00 C ATOM 640 C GLY A 42 -3.696 2.277 -5.903 1.00 0.00 C ATOM 641 O GLY A 42 -3.078 2.216 -6.966 1.00 0.00 O ATOM 0 H GLY A 42 -4.709 3.526 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.459 3.447 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.076 4.370 -6.138 1.00 0.00 H new ATOM 645 N ILE A 43 -3.789 1.257 -5.057 1.00 0.00 N ATOM 646 CA ILE A 43 -3.162 -0.022 -5.336 1.00 0.00 C ATOM 647 C ILE A 43 -4.159 -0.963 -5.992 1.00 0.00 C ATOM 648 O ILE A 43 -5.367 -0.720 -5.966 1.00 0.00 O ATOM 649 CB ILE A 43 -2.565 -0.675 -4.055 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.655 -1.133 -3.071 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.624 0.297 -3.362 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.104 -2.568 -3.264 1.00 0.00 C ATOM 0 H ILE A 43 -4.294 1.295 -4.172 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.335 0.163 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.015 -1.561 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.283 -1.014 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.519 -0.477 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.212 -0.170 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.812 0.563 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.172 1.197 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.873 -2.810 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.509 -2.691 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.253 -3.236 -3.132 1.00 0.00 H new ATOM 664 N ARG A 44 -3.654 -2.026 -6.584 1.00 0.00 N ATOM 665 CA ARG A 44 -4.501 -3.029 -7.198 1.00 0.00 C ATOM 666 C ARG A 44 -3.987 -4.422 -6.871 1.00 0.00 C ATOM 667 O ARG A 44 -2.784 -4.620 -6.680 1.00 0.00 O ATOM 668 CB ARG A 44 -4.570 -2.817 -8.714 1.00 0.00 C ATOM 669 CG ARG A 44 -3.213 -2.606 -9.365 1.00 0.00 C ATOM 670 CD ARG A 44 -3.343 -2.408 -10.868 1.00 0.00 C ATOM 671 NE ARG A 44 -2.049 -2.165 -11.506 1.00 0.00 N ATOM 672 CZ ARG A 44 -1.901 -1.787 -12.776 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.965 -1.629 -13.561 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.688 -1.570 -13.262 1.00 0.00 N ATOM 0 H ARG A 44 -2.655 -2.219 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.509 -2.930 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.052 -3.681 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.201 -1.953 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.727 -1.736 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.574 -3.465 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.805 -3.291 -11.311 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.008 -1.567 -11.066 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.207 -2.293 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.901 -1.797 -13.192 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.844 -1.340 -14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.130 -1.692 -12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.572 -1.281 -14.233 1.00 0.00 H new ATOM 688 N LEU A 45 -4.904 -5.374 -6.783 1.00 0.00 N ATOM 689 CA LEU A 45 -4.545 -6.751 -6.482 1.00 0.00 C ATOM 690 C LEU A 45 -3.851 -7.380 -7.682 1.00 0.00 C ATOM 691 O LEU A 45 -4.124 -7.010 -8.825 1.00 0.00 O ATOM 692 CB LEU A 45 -5.790 -7.564 -6.110 1.00 0.00 C ATOM 693 CG LEU A 45 -6.651 -6.980 -4.984 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.778 -7.936 -4.622 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.812 -6.657 -3.758 1.00 0.00 C ATOM 0 H LEU A 45 -5.903 -5.218 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.863 -6.754 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.411 -7.671 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.474 -8.566 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.087 -6.049 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.378 -7.504 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.407 -8.105 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.357 -8.885 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.452 -6.245 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.335 -7.567 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.047 -5.928 -4.023 1.00 0.00 H new ATOM 707 N THR A 46 -2.956 -8.316 -7.423 1.00 0.00 N ATOM 708 CA THR A 46 -2.186 -8.938 -8.486 1.00 0.00 C ATOM 709 C THR A 46 -2.499 -10.429 -8.568 1.00 0.00 C ATOM 710 O THR A 46 -3.530 -10.886 -8.069 1.00 0.00 O ATOM 711 CB THR A 46 -0.669 -8.744 -8.262 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.264 -9.366 -7.035 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.306 -7.266 -8.229 1.00 0.00 C ATOM 0 H THR A 46 -2.744 -8.662 -6.487 1.00 0.00 H new ATOM 0 HA THR A 46 -2.466 -8.456 -9.423 1.00 0.00 H new ATOM 0 HB THR A 46 -0.145 -9.212 -9.095 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.499 -8.786 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.767 -7.158 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.581 -6.803 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.844 -6.777 -7.417 1.00 0.00 H new ATOM 721 N ASP A 47 -1.610 -11.180 -9.203 1.00 0.00 N ATOM 722 CA ASP A 47 -1.727 -12.634 -9.259 1.00 0.00 C ATOM 723 C ASP A 47 -1.302 -13.232 -7.926 1.00 0.00 C ATOM 724 O ASP A 47 -1.453 -14.432 -7.682 1.00 0.00 O ATOM 725 CB ASP A 47 -0.847 -13.206 -10.374 1.00 0.00 C ATOM 726 CG ASP A 47 -1.110 -12.569 -11.721 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.130 -12.905 -12.354 1.00 0.00 O ATOM 728 OD2 ASP A 47 -0.289 -11.729 -12.159 1.00 0.00 O ATOM 0 H ASP A 47 -0.795 -10.806 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.766 -12.889 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.201 -13.065 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.016 -14.280 -10.447 1.00 0.00 H new ATOM 733 N SER A 48 -0.762 -12.381 -7.070 1.00 0.00 N ATOM 734 CA SER A 48 -0.258 -12.790 -5.785 1.00 0.00 C ATOM 735 C SER A 48 -1.174 -12.321 -4.665 1.00 0.00 C ATOM 736 O SER A 48 -1.730 -11.225 -4.715 1.00 0.00 O ATOM 737 CB SER A 48 1.136 -12.214 -5.596 1.00 0.00 C ATOM 738 OG SER A 48 2.036 -12.733 -6.562 1.00 0.00 O ATOM 0 H SER A 48 -0.664 -11.383 -7.255 1.00 0.00 H new ATOM 0 HA SER A 48 -0.218 -13.879 -5.749 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.098 -11.128 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.497 -12.448 -4.595 1.00 0.00 H new ATOM 0 HG SER A 48 2.926 -12.347 -6.421 1.00 0.00 H new ATOM 744 N GLU A 49 -1.320 -13.163 -3.661 1.00 0.00 N ATOM 745 CA GLU A 49 -2.130 -12.842 -2.493 1.00 0.00 C ATOM 746 C GLU A 49 -1.275 -12.118 -1.466 1.00 0.00 C ATOM 747 O GLU A 49 -1.779 -11.471 -0.552 1.00 0.00 O ATOM 748 CB GLU A 49 -2.706 -14.112 -1.861 1.00 0.00 C ATOM 749 CG GLU A 49 -2.946 -15.253 -2.840 1.00 0.00 C ATOM 750 CD GLU A 49 -1.711 -16.099 -3.078 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.909 -15.765 -3.976 1.00 0.00 O ATOM 752 OE2 GLU A 49 -1.531 -17.100 -2.355 1.00 0.00 O ATOM 0 H GLU A 49 -0.885 -14.085 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.955 -12.205 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.025 -14.456 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.649 -13.864 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.747 -15.888 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.288 -14.843 -3.790 1.00 0.00 H new ATOM 759 N ASP A 50 0.030 -12.258 -1.625 1.00 0.00 N ATOM 760 CA ASP A 50 0.992 -11.642 -0.722 1.00 0.00 C ATOM 761 C ASP A 50 1.456 -10.306 -1.283 1.00 0.00 C ATOM 762 O ASP A 50 2.038 -9.486 -0.576 1.00 0.00 O ATOM 763 CB ASP A 50 2.193 -12.575 -0.532 1.00 0.00 C ATOM 764 CG ASP A 50 3.185 -12.078 0.504 1.00 0.00 C ATOM 765 OD1 ASP A 50 2.968 -12.334 1.709 1.00 0.00 O ATOM 766 OD2 ASP A 50 4.198 -11.460 0.118 1.00 0.00 O ATOM 0 H ASP A 50 0.453 -12.799 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 50 0.515 -11.471 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.834 -13.561 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.705 -12.695 -1.487 1.00 0.00 H new ATOM 771 N GLU A 51 1.161 -10.074 -2.553 1.00 0.00 N ATOM 772 CA GLU A 51 1.685 -8.914 -3.251 1.00 0.00 C ATOM 773 C GLU A 51 0.597 -8.092 -3.904 1.00 0.00 C ATOM 774 O GLU A 51 -0.410 -8.610 -4.387 1.00 0.00 O ATOM 775 CB GLU A 51 2.689 -9.336 -4.313 1.00 0.00 C ATOM 776 CG GLU A 51 4.045 -9.699 -3.752 1.00 0.00 C ATOM 777 CD GLU A 51 4.667 -10.890 -4.450 1.00 0.00 C ATOM 778 OE1 GLU A 51 5.254 -10.711 -5.537 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.573 -12.016 -3.917 1.00 0.00 O ATOM 0 H GLU A 51 0.562 -10.674 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 51 2.173 -8.296 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.290 -10.191 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.807 -8.525 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.712 -8.842 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.947 -9.917 -2.688 1.00 0.00 H new ATOM 786 N ILE A 52 0.838 -6.805 -3.921 1.00 0.00 N ATOM 787 CA ILE A 52 -0.006 -5.856 -4.620 1.00 0.00 C ATOM 788 C ILE A 52 0.865 -4.883 -5.390 1.00 0.00 C ATOM 789 O ILE A 52 2.055 -4.771 -5.122 1.00 0.00 O ATOM 790 CB ILE A 52 -0.923 -5.073 -3.654 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.129 -4.513 -2.467 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.059 -5.952 -3.170 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.461 -3.140 -2.711 1.00 0.00 C ATOM 0 H ILE A 52 1.633 -6.378 -3.446 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.646 -6.417 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.346 -4.230 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.783 -4.466 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.677 -5.205 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.695 -5.384 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.648 -6.287 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.652 -6.818 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.006 -2.816 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.142 -3.182 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.340 -2.432 -2.923 1.00 0.00 H new ATOM 805 N GLU A 53 0.286 -4.188 -6.339 1.00 0.00 N ATOM 806 CA GLU A 53 1.014 -3.175 -7.069 1.00 0.00 C ATOM 807 C GLU A 53 0.335 -1.838 -6.872 1.00 0.00 C ATOM 808 O GLU A 53 -0.890 -1.735 -6.978 1.00 0.00 O ATOM 809 CB GLU A 53 1.079 -3.525 -8.549 1.00 0.00 C ATOM 810 CG GLU A 53 1.948 -2.573 -9.360 1.00 0.00 C ATOM 811 CD GLU A 53 1.873 -2.819 -10.853 1.00 0.00 C ATOM 812 OE1 GLU A 53 2.453 -3.814 -11.329 1.00 0.00 O ATOM 813 OE2 GLU A 53 1.241 -2.007 -11.559 1.00 0.00 O ATOM 0 H GLU A 53 -0.686 -4.304 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 53 2.035 -3.123 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.465 -4.539 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.069 -3.522 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.643 -1.547 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.984 -2.670 -9.034 1.00 0.00 H new ATOM 820 N GLY A 54 1.115 -0.821 -6.566 1.00 0.00 N ATOM 821 CA GLY A 54 0.543 0.470 -6.289 1.00 0.00 C ATOM 822 C GLY A 54 1.448 1.607 -6.684 1.00 0.00 C ATOM 823 O GLY A 54 2.411 1.422 -7.428 1.00 0.00 O ATOM 0 H GLY A 54 2.132 -0.866 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.404 0.564 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.320 0.542 -5.225 1.00 0.00 H new ATOM 827 N ARG A 55 1.142 2.780 -6.169 1.00 0.00 N ATOM 828 CA ARG A 55 1.904 3.974 -6.466 1.00 0.00 C ATOM 829 C ARG A 55 2.027 4.835 -5.216 1.00 0.00 C ATOM 830 O ARG A 55 1.124 4.874 -4.377 1.00 0.00 O ATOM 831 CB ARG A 55 1.234 4.752 -7.593 1.00 0.00 C ATOM 832 CG ARG A 55 -0.212 5.105 -7.310 1.00 0.00 C ATOM 833 CD ARG A 55 -0.870 5.757 -8.513 1.00 0.00 C ATOM 834 NE ARG A 55 -0.668 4.981 -9.740 1.00 0.00 N ATOM 835 CZ ARG A 55 -1.505 4.044 -10.184 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.595 3.737 -9.492 1.00 0.00 N ATOM 837 NH2 ARG A 55 -1.239 3.401 -11.314 1.00 0.00 N ATOM 0 H ARG A 55 0.359 2.932 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 55 2.905 3.690 -6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.795 5.669 -7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.283 4.163 -8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.761 4.204 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.263 5.780 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.938 5.867 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.465 6.760 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 55 0.169 5.171 -10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.795 4.219 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.232 3.019 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.395 3.624 -11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.879 2.683 -11.655 1.00 0.00 H new ATOM 851 N THR A 56 3.149 5.506 -5.097 1.00 0.00 N ATOM 852 CA THR A 56 3.431 6.352 -3.952 1.00 0.00 C ATOM 853 C THR A 56 3.504 7.803 -4.407 1.00 0.00 C ATOM 854 O THR A 56 3.163 8.117 -5.550 1.00 0.00 O ATOM 855 CB THR A 56 4.770 5.971 -3.277 1.00 0.00 C ATOM 856 OG1 THR A 56 5.863 6.372 -4.106 1.00 0.00 O ATOM 857 CG2 THR A 56 4.868 4.472 -3.036 1.00 0.00 C ATOM 0 H THR A 56 3.896 5.483 -5.791 1.00 0.00 H new ATOM 0 HA THR A 56 2.630 6.214 -3.226 1.00 0.00 H new ATOM 0 HB THR A 56 4.811 6.484 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.667 6.145 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.821 4.241 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.052 4.154 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.800 3.945 -3.988 1.00 0.00 H new ATOM 865 N ASP A 57 3.943 8.682 -3.518 1.00 0.00 N ATOM 866 CA ASP A 57 4.178 10.076 -3.873 1.00 0.00 C ATOM 867 C ASP A 57 5.352 10.188 -4.848 1.00 0.00 C ATOM 868 O ASP A 57 5.417 11.116 -5.657 1.00 0.00 O ATOM 869 CB ASP A 57 4.468 10.909 -2.619 1.00 0.00 C ATOM 870 CG ASP A 57 3.301 10.946 -1.651 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.146 9.991 -0.863 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.534 11.933 -1.675 1.00 0.00 O ATOM 0 H ASP A 57 4.144 8.455 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 57 3.278 10.461 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.341 10.500 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.720 11.927 -2.916 1.00 0.00 H new ATOM 877 N LYS A 58 6.268 9.223 -4.775 1.00 0.00 N ATOM 878 CA LYS A 58 7.471 9.229 -5.607 1.00 0.00 C ATOM 879 C LYS A 58 7.460 8.069 -6.603 1.00 0.00 C ATOM 880 O LYS A 58 7.292 8.275 -7.804 1.00 0.00 O ATOM 881 CB LYS A 58 8.720 9.153 -4.725 1.00 0.00 C ATOM 882 CG LYS A 58 8.944 10.393 -3.874 1.00 0.00 C ATOM 883 CD LYS A 58 10.125 10.219 -2.933 1.00 0.00 C ATOM 884 CE LYS A 58 10.458 11.512 -2.202 1.00 0.00 C ATOM 885 NZ LYS A 58 9.309 12.021 -1.406 1.00 0.00 N ATOM 0 H LYS A 58 6.199 8.424 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 58 7.487 10.160 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.640 8.284 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.593 8.996 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.117 11.253 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.045 10.605 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.900 9.438 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.995 9.886 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.309 11.345 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.760 12.269 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.620 12.823 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.553 12.333 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.950 11.263 -0.791 1.00 0.00 H new ATOM 899 N ILE A 59 7.634 6.854 -6.096 1.00 0.00 N ATOM 900 CA ILE A 59 7.639 5.660 -6.937 1.00 0.00 C ATOM 901 C ILE A 59 6.231 5.389 -7.438 1.00 0.00 C ATOM 902 O ILE A 59 5.268 5.616 -6.715 1.00 0.00 O ATOM 903 CB ILE A 59 8.127 4.392 -6.183 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.331 4.693 -5.282 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.479 3.290 -7.176 1.00 0.00 C ATOM 906 CD1 ILE A 59 8.971 4.999 -3.840 1.00 0.00 C ATOM 0 H ILE A 59 7.774 6.668 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 59 8.330 5.858 -7.757 1.00 0.00 H new ATOM 0 HB ILE A 59 7.310 4.055 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.007 3.838 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.877 5.541 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.819 2.407 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.598 3.037 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.272 3.637 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.880 5.200 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.321 5.873 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.454 4.144 -3.405 1.00 0.00 H new ATOM 918 N LYS A 60 6.105 4.914 -8.661 1.00 0.00 N ATOM 919 CA LYS A 60 4.800 4.562 -9.191 1.00 0.00 C ATOM 920 C LYS A 60 4.850 3.195 -9.860 1.00 0.00 C ATOM 921 O LYS A 60 5.862 2.823 -10.461 1.00 0.00 O ATOM 922 CB LYS A 60 4.321 5.612 -10.190 1.00 0.00 C ATOM 923 CG LYS A 60 5.116 5.616 -11.479 1.00 0.00 C ATOM 924 CD LYS A 60 4.503 6.538 -12.519 1.00 0.00 C ATOM 925 CE LYS A 60 4.530 7.988 -12.069 1.00 0.00 C ATOM 926 NZ LYS A 60 3.959 8.892 -13.096 1.00 0.00 N ATOM 0 H LYS A 60 6.883 4.763 -9.303 1.00 0.00 H new ATOM 0 HA LYS A 60 4.096 4.525 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.270 5.433 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.384 6.598 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.139 5.930 -11.273 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.167 4.603 -11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.046 6.438 -13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.474 6.236 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.968 8.091 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.557 8.283 -11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.994 9.873 -12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.510 8.812 -13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.971 8.626 -13.282 1.00 0.00 H new ATOM 940 N GLY A 61 3.760 2.452 -9.735 1.00 0.00 N ATOM 941 CA GLY A 61 3.660 1.158 -10.379 1.00 0.00 C ATOM 942 C GLY A 61 4.687 0.173 -9.866 1.00 0.00 C ATOM 943 O GLY A 61 5.363 -0.497 -10.649 1.00 0.00 O ATOM 0 H GLY A 61 2.938 2.724 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.661 0.753 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.785 1.281 -11.455 1.00 0.00 H new ATOM 947 N LEU A 62 4.816 0.085 -8.551 1.00 0.00 N ATOM 948 CA LEU A 62 5.758 -0.839 -7.951 1.00 0.00 C ATOM 949 C LEU A 62 5.003 -1.972 -7.262 1.00 0.00 C ATOM 950 O LEU A 62 3.998 -1.742 -6.583 1.00 0.00 O ATOM 951 CB LEU A 62 6.703 -0.119 -6.966 1.00 0.00 C ATOM 952 CG LEU A 62 6.149 0.177 -5.569 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.273 0.636 -4.654 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.057 1.237 -5.616 1.00 0.00 C ATOM 0 H LEU A 62 4.281 0.641 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 62 6.380 -1.261 -8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.602 -0.725 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.009 0.825 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 62 5.711 -0.742 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.872 0.845 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.027 -0.148 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.726 1.540 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.686 1.422 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.464 2.160 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.238 0.888 -6.245 1.00 0.00 H new ATOM 966 N VAL A 63 5.471 -3.192 -7.471 1.00 0.00 N ATOM 967 CA VAL A 63 4.831 -4.363 -6.894 1.00 0.00 C ATOM 968 C VAL A 63 5.477 -4.694 -5.564 1.00 0.00 C ATOM 969 O VAL A 63 6.681 -4.941 -5.494 1.00 0.00 O ATOM 970 CB VAL A 63 4.935 -5.593 -7.820 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.172 -6.776 -7.239 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.428 -5.260 -9.211 1.00 0.00 C ATOM 0 H VAL A 63 6.294 -3.397 -8.037 1.00 0.00 H new ATOM 0 HA VAL A 63 3.776 -4.126 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 63 5.986 -5.872 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.260 -7.631 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.588 -7.034 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.121 -6.511 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.510 -6.140 -9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.385 -4.949 -9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.025 -4.451 -9.632 1.00 0.00 H new ATOM 982 N LEU A 64 4.683 -4.690 -4.513 1.00 0.00 N ATOM 983 CA LEU A 64 5.212 -4.936 -3.182 1.00 0.00 C ATOM 984 C LEU A 64 4.404 -5.952 -2.410 1.00 0.00 C ATOM 985 O LEU A 64 3.176 -6.002 -2.500 1.00 0.00 O ATOM 986 CB LEU A 64 5.285 -3.644 -2.371 1.00 0.00 C ATOM 987 CG LEU A 64 6.467 -2.742 -2.709 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.320 -1.394 -2.026 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.766 -3.420 -2.291 1.00 0.00 C ATOM 0 H LEU A 64 3.678 -4.521 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 64 6.214 -5.339 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.363 -3.083 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.332 -3.899 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 64 6.489 -2.573 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.172 -0.763 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.401 -0.914 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.281 -1.536 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.609 -2.773 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.750 -3.607 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.870 -4.366 -2.822 1.00 0.00 H new ATOM 1001 N ARG A 65 5.128 -6.781 -1.676 1.00 0.00 N ATOM 1002 CA ARG A 65 4.545 -7.604 -0.632 1.00 0.00 C ATOM 1003 C ARG A 65 3.762 -6.715 0.324 1.00 0.00 C ATOM 1004 O ARG A 65 4.277 -5.718 0.831 1.00 0.00 O ATOM 1005 CB ARG A 65 5.655 -8.355 0.116 1.00 0.00 C ATOM 1006 CG ARG A 65 6.898 -7.507 0.349 1.00 0.00 C ATOM 1007 CD ARG A 65 8.088 -8.325 0.840 1.00 0.00 C ATOM 1008 NE ARG A 65 7.879 -8.945 2.151 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.432 -10.112 2.510 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.214 -10.769 1.664 1.00 0.00 N ATOM 1011 NH2 ARG A 65 8.218 -10.619 3.719 1.00 0.00 N ATOM 0 H ARG A 65 6.135 -6.901 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 65 3.868 -8.337 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.270 -8.697 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.930 -9.244 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.168 -7.003 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.671 -6.730 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.307 -9.105 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.965 -7.680 0.889 1.00 0.00 H new ATOM 0 HE ARG A 65 7.283 -8.464 2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.397 -10.387 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.633 -11.657 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.628 -10.119 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.644 -11.508 3.982 1.00 0.00 H new ATOM 1025 N THR A 66 2.529 -7.089 0.580 1.00 0.00 N ATOM 1026 CA THR A 66 1.629 -6.258 1.360 1.00 0.00 C ATOM 1027 C THR A 66 1.703 -6.619 2.841 1.00 0.00 C ATOM 1028 O THR A 66 0.811 -6.291 3.624 1.00 0.00 O ATOM 1029 CB THR A 66 0.179 -6.398 0.840 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.705 -5.540 1.571 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.299 -7.838 0.942 1.00 0.00 C ATOM 0 H THR A 66 2.121 -7.967 0.259 1.00 0.00 H new ATOM 0 HA THR A 66 1.940 -5.219 1.248 1.00 0.00 H new ATOM 0 HB THR A 66 0.172 -6.102 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.412 -5.487 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.321 -7.909 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.350 -8.480 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.269 -8.159 1.983 1.00 0.00 H new ATOM 1039 N GLU A 67 2.798 -7.250 3.241 1.00 0.00 N ATOM 1040 CA GLU A 67 2.912 -7.738 4.604 1.00 0.00 C ATOM 1041 C GLU A 67 3.629 -6.722 5.480 1.00 0.00 C ATOM 1042 O GLU A 67 3.694 -6.866 6.701 1.00 0.00 O ATOM 1043 CB GLU A 67 3.601 -9.103 4.624 1.00 0.00 C ATOM 1044 CG GLU A 67 4.909 -9.149 3.860 1.00 0.00 C ATOM 1045 CD GLU A 67 6.093 -8.730 4.698 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.510 -9.513 5.574 1.00 0.00 O ATOM 1047 OE2 GLU A 67 6.632 -7.638 4.463 1.00 0.00 O ATOM 0 H GLU A 67 3.608 -7.433 2.649 1.00 0.00 H new ATOM 0 HA GLU A 67 1.912 -7.870 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.788 -9.388 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.922 -9.846 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.072 -10.161 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.838 -8.498 2.989 1.00 0.00 H new ATOM 1054 N PHE A 68 4.166 -5.691 4.846 1.00 0.00 N ATOM 1055 CA PHE A 68 4.732 -4.570 5.573 1.00 0.00 C ATOM 1056 C PHE A 68 3.916 -3.314 5.307 1.00 0.00 C ATOM 1057 O PHE A 68 4.351 -2.192 5.586 1.00 0.00 O ATOM 1058 CB PHE A 68 6.210 -4.364 5.214 1.00 0.00 C ATOM 1059 CG PHE A 68 6.502 -4.065 3.765 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.080 -2.887 3.171 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.231 -4.961 3.006 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.372 -2.613 1.850 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.531 -4.690 1.686 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.100 -3.517 1.107 1.00 0.00 C ATOM 0 H PHE A 68 4.221 -5.609 3.831 1.00 0.00 H new ATOM 0 HA PHE A 68 4.689 -4.790 6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.600 -3.546 5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.761 -5.261 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.514 -2.172 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.570 -5.885 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.031 -1.692 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.104 -5.399 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.332 -3.306 0.073 1.00 0.00 H new ATOM 1074 N LEU A 69 2.718 -3.512 4.782 1.00 0.00 N ATOM 1075 CA LEU A 69 1.842 -2.406 4.461 1.00 0.00 C ATOM 1076 C LEU A 69 0.635 -2.409 5.371 1.00 0.00 C ATOM 1077 O LEU A 69 0.184 -3.456 5.837 1.00 0.00 O ATOM 1078 CB LEU A 69 1.392 -2.468 3.001 1.00 0.00 C ATOM 1079 CG LEU A 69 2.515 -2.436 1.963 1.00 0.00 C ATOM 1080 CD1 LEU A 69 1.957 -2.640 0.565 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.273 -1.120 2.045 1.00 0.00 C ATOM 0 H LEU A 69 2.332 -4.432 4.570 1.00 0.00 H new ATOM 0 HA LEU A 69 2.400 -1.482 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.813 -3.380 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.721 -1.631 2.810 1.00 0.00 H new ATOM 0 HG LEU A 69 3.207 -3.250 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.771 -2.614 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.454 -3.606 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.244 -1.847 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.069 -1.112 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.589 -0.293 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.705 -1.010 3.040 1.00 0.00 H new ATOM 1093 N LYS A 70 0.135 -1.227 5.634 1.00 0.00 N ATOM 1094 CA LYS A 70 -1.031 -1.058 6.465 1.00 0.00 C ATOM 1095 C LYS A 70 -2.132 -0.384 5.669 1.00 0.00 C ATOM 1096 O LYS A 70 -1.918 0.688 5.110 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.680 -0.199 7.678 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.298 -0.704 8.968 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.756 -1.081 8.768 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.456 -1.436 10.065 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.872 -1.807 9.825 1.00 0.00 N ATOM 0 H LYS A 70 0.525 -0.355 5.278 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.375 -2.036 6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.404 -0.166 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.013 0.823 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.742 -1.570 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.221 0.065 9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.279 -0.251 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.817 -1.928 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.937 -2.264 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.410 -0.589 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.254 -2.282 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.427 -0.950 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.929 -2.449 9.009 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.299 -1.011 5.611 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.438 -0.417 4.929 1.00 0.00 C ATOM 1117 C LYS A 71 -4.820 0.885 5.624 1.00 0.00 C ATOM 1118 O LYS A 71 -5.042 0.911 6.836 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.624 -1.385 4.914 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.843 -0.842 4.189 1.00 0.00 C ATOM 1121 CD LYS A 71 -8.030 -1.779 4.324 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.314 -1.134 3.831 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.261 -0.796 2.385 1.00 0.00 N ATOM 0 H LYS A 71 -3.480 -1.925 6.026 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.164 -0.206 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.315 -2.317 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.899 -1.625 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.102 0.137 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.608 -0.700 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.840 -2.691 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.147 -2.070 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.150 -1.810 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.506 -0.228 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.074 -0.196 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.379 -0.284 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.293 -1.670 1.823 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.874 1.965 4.862 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.101 3.284 5.430 1.00 0.00 C ATOM 1139 C ALA A 72 -6.572 3.483 5.780 1.00 0.00 C ATOM 1140 O ALA A 72 -7.455 2.869 5.180 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.614 4.362 4.473 1.00 0.00 C ATOM 0 H ALA A 72 -4.764 1.954 3.848 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.529 3.364 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.790 5.344 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.547 4.232 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.155 4.283 3.530 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.824 4.325 6.772 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.181 4.571 7.212 1.00 0.00 C ATOM 1149 C GLY A 73 -8.491 3.850 8.506 1.00 0.00 C ATOM 1150 O GLY A 73 -9.156 4.394 9.391 1.00 0.00 O ATOM 0 H GLY A 73 -6.109 4.844 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.331 5.642 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.878 4.247 6.439 1.00 0.00 H new ATOM 1154 N SER A 74 -8.011 2.618 8.614 1.00 0.00 N ATOM 1155 CA SER A 74 -8.207 1.815 9.808 1.00 0.00 C ATOM 1156 C SER A 74 -6.974 0.956 10.078 1.00 0.00 C ATOM 1157 O SER A 74 -6.090 1.399 10.842 1.00 0.00 O ATOM 1158 CB SER A 74 -9.451 0.932 9.652 1.00 0.00 C ATOM 1159 OG SER A 74 -10.609 1.722 9.423 1.00 0.00 O ATOM 1160 OXT SER A 74 -6.883 -0.151 9.513 1.00 0.00 O ATOM 0 H SER A 74 -7.478 2.152 7.880 1.00 0.00 H new ATOM 0 HA SER A 74 -8.356 2.481 10.658 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.308 0.240 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.589 0.329 10.550 1.00 0.00 H new ATOM 0 HG SER A 74 -11.390 1.138 9.325 1.00 0.00 H new TER 1166 SER A 74