USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 422 hydrogens (7 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 NoAdj-H: A 10 HYP H : A 10 HYP N : A 9 TYR C :(H bumps) USER MOD Set 1.1: A 40 HIS : no HE2:sc= -2.34! C(o=-4.5!,f=-12!) USER MOD Set 1.2: A 44 GLN : amide:sc= -2.14 X(o=-4.5,f=-4!) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 1.04 USER MOD Set 2.2: A 4 THR OG1 : rot -124:sc= 1.3 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 130:sc= -0.199 USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -2.67 F(o=-6.2!,f=-2.7) USER MOD Single : A 15 ASN :FLIP amide:sc= -2.63! C(o=-4!,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -117:sc=-0.00581 (180deg=-0.014) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.384 F(o=-3.7!,f=-0.38) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= -1.45 (180deg=-5!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 47 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.63) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0052) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.387) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.330 2.196 -14.064 1.00 0.00 N ATOM 2 CA ALA A 1 -11.632 3.181 -12.987 1.00 0.00 C ATOM 3 C ALA A 1 -11.442 2.494 -11.628 1.00 0.00 C ATOM 4 O ALA A 1 -12.329 1.819 -11.136 1.00 0.00 O ATOM 5 CB ALA A 1 -13.083 3.674 -13.118 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.455 2.648 -14.992 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.348 1.867 -13.968 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.976 1.385 -13.984 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.962 4.037 -13.071 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.296 4.393 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.219 4.151 -14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.764 2.827 -13.031 1.00 0.00 H new ATOM 13 N SER A 2 -10.293 2.680 -11.040 1.00 0.00 N ATOM 14 CA SER A 2 -10.071 2.028 -9.722 1.00 0.00 C ATOM 15 C SER A 2 -10.556 2.969 -8.627 1.00 0.00 C ATOM 16 O SER A 2 -9.802 3.701 -8.014 1.00 0.00 O ATOM 17 CB SER A 2 -8.568 1.723 -9.508 1.00 0.00 C ATOM 18 OG SER A 2 -8.604 0.640 -8.584 1.00 0.00 O ATOM 0 H SER A 2 -9.520 3.238 -11.402 1.00 0.00 H new ATOM 0 HA SER A 2 -10.621 1.088 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.073 1.446 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.032 2.583 -9.105 1.00 0.00 H new ATOM 0 HG SER A 2 -7.689 0.359 -8.374 1.00 0.00 H new ATOM 24 N ALA A 3 -11.840 2.923 -8.399 1.00 0.00 N ATOM 25 CA ALA A 3 -12.451 3.788 -7.340 1.00 0.00 C ATOM 26 C ALA A 3 -12.357 2.875 -6.109 1.00 0.00 C ATOM 27 O ALA A 3 -13.324 2.522 -5.465 1.00 0.00 O ATOM 28 CB ALA A 3 -13.914 4.092 -7.714 1.00 0.00 C ATOM 0 H ALA A 3 -12.497 2.324 -8.899 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.973 4.757 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.363 4.722 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.944 4.611 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.472 3.159 -7.790 1.00 0.00 H new ATOM 34 N THR A 4 -11.131 2.537 -5.832 1.00 0.00 N ATOM 35 CA THR A 4 -10.762 1.648 -4.697 1.00 0.00 C ATOM 36 C THR A 4 -10.114 2.431 -3.564 1.00 0.00 C ATOM 37 O THR A 4 -9.291 1.893 -2.848 1.00 0.00 O ATOM 38 CB THR A 4 -9.793 0.613 -5.258 1.00 0.00 C ATOM 39 OG1 THR A 4 -8.884 1.422 -6.006 1.00 0.00 O ATOM 40 CG2 THR A 4 -10.457 -0.248 -6.341 1.00 0.00 C ATOM 0 H THR A 4 -10.330 2.858 -6.375 1.00 0.00 H new ATOM 0 HA THR A 4 -11.649 1.176 -4.276 1.00 0.00 H new ATOM 0 HB THR A 4 -9.395 -0.018 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.852 1.106 -6.933 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.738 -0.975 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.313 -0.772 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.792 0.390 -7.159 1.00 0.00 H new ATOM 48 N TRP A 5 -10.489 3.674 -3.424 1.00 0.00 N ATOM 49 CA TRP A 5 -9.881 4.498 -2.328 1.00 0.00 C ATOM 50 C TRP A 5 -10.872 5.071 -1.307 1.00 0.00 C ATOM 51 O TRP A 5 -10.461 5.553 -0.271 1.00 0.00 O ATOM 52 CB TRP A 5 -9.079 5.619 -3.016 1.00 0.00 C ATOM 53 CG TRP A 5 -7.958 4.926 -3.809 1.00 0.00 C ATOM 54 CD1 TRP A 5 -8.000 4.479 -5.111 1.00 0.00 C ATOM 55 CD2 TRP A 5 -6.699 4.607 -3.359 1.00 0.00 C ATOM 56 NE1 TRP A 5 -6.873 3.923 -5.466 1.00 0.00 N ATOM 57 CE2 TRP A 5 -6.066 3.983 -4.436 1.00 0.00 C ATOM 58 CE3 TRP A 5 -6.019 4.777 -2.153 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.754 3.533 -4.298 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -4.707 4.326 -2.021 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.074 3.704 -3.093 1.00 0.00 C ATOM 0 H TRP A 5 -11.177 4.152 -4.007 1.00 0.00 H new ATOM 0 HA TRP A 5 -9.253 3.845 -1.722 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -9.718 6.204 -3.677 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.665 6.309 -2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -8.859 4.576 -5.758 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -6.660 3.517 -6.377 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -6.510 5.259 -1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.262 3.049 -5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.182 4.459 -1.087 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.057 3.354 -2.992 1.00 0.00 H new ATOM 72 N GLY A 6 -12.149 5.009 -1.588 1.00 0.00 N ATOM 73 CA GLY A 6 -13.145 5.563 -0.605 1.00 0.00 C ATOM 74 C GLY A 6 -13.806 4.455 0.194 1.00 0.00 C ATOM 75 O GLY A 6 -14.340 4.685 1.260 1.00 0.00 O ATOM 0 H GLY A 6 -12.545 4.608 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.644 6.254 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.906 6.134 -1.137 1.00 0.00 H new ATOM 79 N ALA A 7 -13.738 3.276 -0.364 1.00 0.00 N ATOM 80 CA ALA A 7 -14.335 2.079 0.292 1.00 0.00 C ATOM 81 C ALA A 7 -13.268 1.420 1.174 1.00 0.00 C ATOM 82 O ALA A 7 -13.511 0.387 1.760 1.00 0.00 O ATOM 83 CB ALA A 7 -14.816 1.097 -0.803 1.00 0.00 C ATOM 0 H ALA A 7 -13.287 3.090 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.186 2.362 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.255 0.216 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.563 1.586 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -13.969 0.796 -1.419 1.00 0.00 H new ATOM 89 N ALA A 8 -12.114 2.035 1.243 1.00 0.00 N ATOM 90 CA ALA A 8 -10.998 1.480 2.070 1.00 0.00 C ATOM 91 C ALA A 8 -10.868 2.197 3.416 1.00 0.00 C ATOM 92 O ALA A 8 -10.604 1.556 4.412 1.00 0.00 O ATOM 93 CB ALA A 8 -9.678 1.608 1.279 1.00 0.00 C ATOM 0 H ALA A 8 -11.895 2.905 0.758 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.218 0.433 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.857 1.206 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.757 1.050 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.486 2.658 1.059 1.00 0.00 H new ATOM 99 N TYR A 9 -11.041 3.497 3.424 1.00 0.00 N ATOM 100 CA TYR A 9 -10.929 4.266 4.712 1.00 0.00 C ATOM 101 C TYR A 9 -12.255 4.703 5.410 1.00 0.00 C ATOM 102 O TYR A 9 -12.256 5.770 5.991 1.00 0.00 O ATOM 103 CB TYR A 9 -10.004 5.509 4.407 1.00 0.00 C ATOM 104 CG TYR A 9 -10.732 6.808 3.988 1.00 0.00 C ATOM 105 CD1 TYR A 9 -11.848 6.830 3.172 1.00 0.00 C ATOM 106 CD2 TYR A 9 -10.244 8.006 4.462 1.00 0.00 C ATOM 107 CE1 TYR A 9 -12.449 8.031 2.849 1.00 0.00 C ATOM 108 CE2 TYR A 9 -10.848 9.196 4.137 1.00 0.00 C ATOM 109 CZ TYR A 9 -11.958 9.226 3.329 1.00 0.00 C ATOM 110 OH TYR A 9 -12.563 10.431 3.021 1.00 0.00 O ATOM 0 H TYR A 9 -11.254 4.060 2.601 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.513 3.583 5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.408 5.720 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.308 5.234 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.251 5.905 2.786 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.372 8.009 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.319 8.034 2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.444 10.121 4.522 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.712 10.942 3.844 1.00 0.00 H new HETATM 120 N HYP A 10 -13.322 3.932 5.367 1.00 0.00 N HETATM 121 CA HYP A 10 -14.745 4.405 5.564 1.00 0.00 C HETATM 122 C HYP A 10 -15.026 5.092 6.933 1.00 0.00 C HETATM 123 O HYP A 10 -15.759 4.610 7.775 1.00 0.00 O HETATM 124 CB HYP A 10 -15.647 3.159 5.376 1.00 0.00 C HETATM 125 CG HYP A 10 -14.682 2.020 5.702 1.00 0.00 C HETATM 126 CD HYP A 10 -13.341 2.456 5.134 1.00 0.00 C HETATM 127 OD1 HYP A 10 -15.134 0.933 4.910 1.00 0.00 O HETATM 0 HD23 HYP A 10 -13.258 2.217 4.074 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -12.512 1.960 5.639 1.00 0.00 H new HETATM 0 HG HYP A 10 -14.619 1.774 6.762 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -14.558 0.155 5.063 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -16.506 3.171 6.047 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -16.037 3.086 4.361 1.00 0.00 H new HETATM 0 HA HYP A 10 -14.952 5.189 4.836 1.00 0.00 H new ATOM 135 N ALA A 11 -14.410 6.223 7.110 1.00 0.00 N ATOM 136 CA ALA A 11 -14.554 7.026 8.349 1.00 0.00 C ATOM 137 C ALA A 11 -14.739 8.468 7.891 1.00 0.00 C ATOM 138 O ALA A 11 -15.849 8.952 7.795 1.00 0.00 O ATOM 139 CB ALA A 11 -13.277 6.847 9.193 1.00 0.00 C ATOM 0 H ALA A 11 -13.788 6.639 6.417 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.399 6.723 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.362 7.430 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.151 5.794 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.413 7.191 8.624 1.00 0.00 H new ATOM 145 N CYS A 12 -13.639 9.118 7.602 1.00 0.00 N ATOM 146 CA CYS A 12 -13.677 10.550 7.142 1.00 0.00 C ATOM 147 C CYS A 12 -14.713 10.823 6.042 1.00 0.00 C ATOM 148 O CYS A 12 -15.097 11.947 5.822 1.00 0.00 O ATOM 149 CB CYS A 12 -12.304 10.956 6.618 1.00 0.00 C ATOM 150 SG CYS A 12 -12.152 12.626 5.931 1.00 0.00 S ATOM 0 H CYS A 12 -12.703 8.717 7.665 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.967 11.137 8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.587 10.857 7.433 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.010 10.244 5.847 1.00 0.00 H new ATOM 155 N GLU A 13 -15.156 9.804 5.367 1.00 0.00 N ATOM 156 CA GLU A 13 -16.169 10.007 4.280 1.00 0.00 C ATOM 157 C GLU A 13 -17.565 9.589 4.724 1.00 0.00 C ATOM 158 O GLU A 13 -18.571 10.001 4.186 1.00 0.00 O ATOM 159 CB GLU A 13 -15.773 9.159 3.090 1.00 0.00 C ATOM 160 CG GLU A 13 -16.534 9.630 1.814 1.00 0.00 C ATOM 161 CD GLU A 13 -17.747 8.733 1.466 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.739 7.570 1.843 1.00 0.00 O ATOM 163 OE2 GLU A 13 -18.637 9.262 0.822 1.00 0.00 O ATOM 0 H GLU A 13 -14.866 8.837 5.515 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.192 11.067 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.698 9.229 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.998 8.111 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.877 10.654 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.844 9.642 0.970 1.00 0.00 H new ATOM 170 N ASN A 14 -17.591 8.749 5.715 1.00 0.00 N ATOM 171 CA ASN A 14 -18.896 8.239 6.248 1.00 0.00 C ATOM 172 C ASN A 14 -19.414 9.116 7.383 1.00 0.00 C ATOM 173 O ASN A 14 -20.603 9.320 7.549 1.00 0.00 O ATOM 174 CB ASN A 14 -18.660 6.775 6.698 1.00 0.00 C ATOM 175 CG ASN A 14 -18.176 5.906 5.513 1.00 0.00 C ATOM 176 OD1 ASN A 14 -17.748 6.473 4.416 1.00 0.00 O flip ATOM 177 ND2 ASN A 14 -18.190 4.698 5.582 1.00 0.00 N flip ATOM 0 H ASN A 14 -16.763 8.387 6.187 1.00 0.00 H new ATOM 0 HA ASN A 14 -19.669 8.272 5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -17.920 6.751 7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.583 6.362 7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.521 4.239 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.871 4.138 4.791 1.00 0.00 H new ATOM 184 N ASN A 15 -18.482 9.618 8.139 1.00 0.00 N ATOM 185 CA ASN A 15 -18.787 10.506 9.301 1.00 0.00 C ATOM 186 C ASN A 15 -19.770 11.580 8.846 1.00 0.00 C ATOM 187 O ASN A 15 -20.834 11.716 9.415 1.00 0.00 O ATOM 188 CB ASN A 15 -17.433 11.123 9.828 1.00 0.00 C ATOM 189 CG ASN A 15 -17.075 12.455 9.156 1.00 0.00 C ATOM 190 OD1 ASN A 15 -16.535 12.468 7.973 1.00 0.00 O flip ATOM 191 ND2 ASN A 15 -17.290 13.512 9.707 1.00 0.00 N flip ATOM 0 H ASN A 15 -17.487 9.445 7.997 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.248 9.954 10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.505 11.274 10.905 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.626 10.410 9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.713 13.527 10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.048 14.388 9.243 1.00 0.00 H new ATOM 198 N CYS A 16 -19.398 12.297 7.822 1.00 0.00 N ATOM 199 CA CYS A 16 -20.287 13.365 7.316 1.00 0.00 C ATOM 200 C CYS A 16 -21.550 12.834 6.642 1.00 0.00 C ATOM 201 O CYS A 16 -22.468 13.599 6.423 1.00 0.00 O ATOM 202 CB CYS A 16 -19.505 14.216 6.334 1.00 0.00 C ATOM 203 SG CYS A 16 -17.969 15.001 6.886 1.00 0.00 S ATOM 0 H CYS A 16 -18.518 12.186 7.319 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.620 13.949 8.174 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.265 13.591 5.474 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.169 15.004 5.979 1.00 0.00 H new ATOM 208 N ARG A 17 -21.590 11.559 6.340 1.00 0.00 N ATOM 209 CA ARG A 17 -22.823 11.023 5.667 1.00 0.00 C ATOM 210 C ARG A 17 -23.899 10.934 6.743 1.00 0.00 C ATOM 211 O ARG A 17 -24.970 11.499 6.593 1.00 0.00 O ATOM 212 CB ARG A 17 -22.489 9.628 5.045 1.00 0.00 C ATOM 213 CG ARG A 17 -23.759 8.747 4.868 1.00 0.00 C ATOM 214 CD ARG A 17 -23.537 7.694 3.752 1.00 0.00 C ATOM 215 NE ARG A 17 -23.397 6.332 4.362 1.00 0.00 N ATOM 216 CZ ARG A 17 -24.254 5.391 4.067 1.00 0.00 C ATOM 217 NH1 ARG A 17 -24.350 4.998 2.829 1.00 0.00 N ATOM 218 NH2 ARG A 17 -24.982 4.875 5.015 1.00 0.00 N ATOM 0 H ARG A 17 -20.850 10.881 6.522 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.175 11.661 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.008 9.769 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.774 9.109 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -23.995 8.246 5.807 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -24.613 9.376 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.375 7.706 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.643 7.940 3.179 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.632 6.140 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.763 5.424 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -25.013 4.265 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.879 5.206 5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.655 4.140 4.798 1.00 0.00 H new ATOM 232 N LYS A 18 -23.574 10.235 7.800 1.00 0.00 N ATOM 233 CA LYS A 18 -24.561 10.095 8.914 1.00 0.00 C ATOM 234 C LYS A 18 -24.899 11.544 9.304 1.00 0.00 C ATOM 235 O LYS A 18 -26.048 11.922 9.441 1.00 0.00 O ATOM 236 CB LYS A 18 -23.887 9.314 10.067 1.00 0.00 C ATOM 237 CG LYS A 18 -23.538 7.895 9.546 1.00 0.00 C ATOM 238 CD LYS A 18 -22.946 7.017 10.675 1.00 0.00 C ATOM 239 CE LYS A 18 -21.979 5.985 10.053 1.00 0.00 C ATOM 240 NZ LYS A 18 -21.742 4.843 10.985 1.00 0.00 N ATOM 0 H LYS A 18 -22.682 9.761 7.940 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.466 9.547 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.986 9.829 10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.555 9.251 10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.434 7.421 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.823 7.971 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -22.419 7.639 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -23.745 6.508 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -22.392 5.614 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.031 6.467 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.089 4.164 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.326 5.198 11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.645 4.370 11.192 1.00 0.00 H new ATOM 254 N LYS A 19 -23.845 12.303 9.464 1.00 0.00 N ATOM 255 CA LYS A 19 -23.968 13.745 9.832 1.00 0.00 C ATOM 256 C LYS A 19 -25.047 14.432 8.975 1.00 0.00 C ATOM 257 O LYS A 19 -25.964 15.017 9.508 1.00 0.00 O ATOM 258 CB LYS A 19 -22.598 14.422 9.621 1.00 0.00 C ATOM 259 CG LYS A 19 -22.291 15.428 10.734 1.00 0.00 C ATOM 260 CD LYS A 19 -23.336 16.565 10.712 1.00 0.00 C ATOM 261 CE LYS A 19 -22.839 17.756 11.543 1.00 0.00 C ATOM 262 NZ LYS A 19 -23.343 19.028 10.956 1.00 0.00 N ATOM 0 H LYS A 19 -22.885 11.976 9.353 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.268 13.835 10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.817 13.663 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.587 14.930 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.304 14.928 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.290 15.838 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.520 16.880 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.285 16.205 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.181 17.660 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.749 17.764 11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.539 19.606 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.959 18.816 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.883 19.552 11.674 1.00 0.00 H new ATOM 276 N TYR A 20 -24.931 14.343 7.676 1.00 0.00 N ATOM 277 CA TYR A 20 -25.940 14.986 6.777 1.00 0.00 C ATOM 278 C TYR A 20 -27.352 14.578 7.208 1.00 0.00 C ATOM 279 O TYR A 20 -28.238 15.388 7.396 1.00 0.00 O ATOM 280 CB TYR A 20 -25.580 14.534 5.333 1.00 0.00 C ATOM 281 CG TYR A 20 -26.771 14.175 4.430 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.590 15.130 3.868 1.00 0.00 C ATOM 283 CD2 TYR A 20 -27.021 12.846 4.160 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.637 14.754 3.050 1.00 0.00 C ATOM 285 CE2 TYR A 20 -28.066 12.475 3.344 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.881 13.427 2.783 1.00 0.00 C ATOM 287 OH TYR A 20 -29.930 13.059 1.967 1.00 0.00 O ATOM 0 H TYR A 20 -24.178 13.851 7.195 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.922 16.075 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -25.012 15.331 4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -24.922 13.667 5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.412 16.176 4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.389 12.086 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.272 15.511 2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.246 11.429 3.144 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.955 12.083 1.886 1.00 0.00 H new ATOM 297 N ASP A 21 -27.485 13.297 7.375 1.00 0.00 N ATOM 298 CA ASP A 21 -28.786 12.693 7.786 1.00 0.00 C ATOM 299 C ASP A 21 -29.137 12.991 9.245 1.00 0.00 C ATOM 300 O ASP A 21 -30.266 12.822 9.668 1.00 0.00 O ATOM 301 CB ASP A 21 -28.655 11.216 7.560 1.00 0.00 C ATOM 302 CG ASP A 21 -29.002 10.844 6.104 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.114 11.127 5.684 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.116 10.283 5.478 1.00 0.00 O ATOM 0 H ASP A 21 -26.731 12.624 7.242 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.598 13.122 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.637 10.899 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -29.315 10.681 8.243 1.00 0.00 H new ATOM 309 N LEU A 22 -28.150 13.425 9.973 1.00 0.00 N ATOM 310 CA LEU A 22 -28.323 13.772 11.415 1.00 0.00 C ATOM 311 C LEU A 22 -28.161 15.291 11.567 1.00 0.00 C ATOM 312 O LEU A 22 -28.113 15.801 12.670 1.00 0.00 O ATOM 313 CB LEU A 22 -27.246 13.042 12.238 1.00 0.00 C ATOM 314 CG LEU A 22 -27.549 11.523 12.296 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.271 10.775 12.726 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.665 11.257 13.334 1.00 0.00 C ATOM 0 H LEU A 22 -27.202 13.559 9.621 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.308 13.469 11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.265 13.207 11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -27.211 13.451 13.248 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.875 11.176 11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.473 9.705 12.770 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.478 10.965 12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.958 11.126 13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.877 10.189 13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.338 11.599 14.316 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.567 11.796 13.044 1.00 0.00 H new ATOM 328 N CYS A 23 -28.083 15.961 10.446 1.00 0.00 N ATOM 329 CA CYS A 23 -27.922 17.443 10.423 1.00 0.00 C ATOM 330 C CYS A 23 -29.195 18.116 9.937 1.00 0.00 C ATOM 331 O CYS A 23 -29.527 19.146 10.483 1.00 0.00 O ATOM 332 CB CYS A 23 -26.743 17.796 9.485 1.00 0.00 C ATOM 333 SG CYS A 23 -26.718 19.397 8.632 1.00 0.00 S ATOM 0 H CYS A 23 -28.126 15.529 9.523 1.00 0.00 H new ATOM 0 HA CYS A 23 -27.718 17.801 11.432 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -25.828 17.726 10.073 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.691 17.020 8.721 1.00 0.00 H new ATOM 338 N ILE A 24 -29.853 17.538 8.961 1.00 0.00 N ATOM 339 CA ILE A 24 -31.123 18.134 8.416 1.00 0.00 C ATOM 340 C ILE A 24 -32.176 18.511 9.499 1.00 0.00 C ATOM 341 O ILE A 24 -33.227 17.916 9.647 1.00 0.00 O ATOM 342 CB ILE A 24 -31.651 17.073 7.327 1.00 0.00 C ATOM 343 CG1 ILE A 24 -31.114 17.513 5.935 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.182 17.002 7.158 1.00 0.00 C ATOM 345 CD1 ILE A 24 -30.483 16.330 5.177 1.00 0.00 C ATOM 0 H ILE A 24 -29.564 16.669 8.511 1.00 0.00 H new ATOM 0 HA ILE A 24 -30.931 19.106 7.961 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.305 16.102 7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.929 17.932 5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.373 18.303 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.430 16.257 6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -33.640 16.722 8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.559 17.976 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.118 16.672 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -29.652 15.928 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -31.232 15.552 5.029 1.00 0.00 H new ATOM 357 N ARG A 25 -31.913 19.531 10.268 1.00 0.00 N ATOM 358 CA ARG A 25 -32.878 19.942 11.323 1.00 0.00 C ATOM 359 C ARG A 25 -33.860 20.880 10.637 1.00 0.00 C ATOM 360 O ARG A 25 -34.127 21.977 11.094 1.00 0.00 O ATOM 361 CB ARG A 25 -32.164 20.696 12.453 1.00 0.00 C ATOM 362 CG ARG A 25 -31.142 19.869 13.274 1.00 0.00 C ATOM 363 CD ARG A 25 -31.573 18.414 13.547 1.00 0.00 C ATOM 364 NE ARG A 25 -31.084 17.589 12.409 1.00 0.00 N ATOM 365 CZ ARG A 25 -31.571 16.396 12.207 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.720 16.277 11.609 1.00 0.00 N ATOM 367 NH2 ARG A 25 -30.880 15.368 12.615 1.00 0.00 N ATOM 0 H ARG A 25 -31.068 20.099 10.210 1.00 0.00 H new ATOM 0 HA ARG A 25 -33.367 19.074 11.765 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.647 21.553 12.022 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -32.918 21.088 13.136 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -30.190 19.860 12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -30.970 20.369 14.227 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -31.153 18.059 14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -32.657 18.344 13.635 1.00 0.00 H new ATOM 0 HE ARG A 25 -30.366 17.958 11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -33.226 17.109 11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -33.115 15.351 11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -29.983 15.508 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.237 14.424 12.470 1.00 0.00 H new ATOM 381 N CYS A 26 -34.383 20.405 9.530 1.00 0.00 N ATOM 382 CA CYS A 26 -35.365 21.209 8.749 1.00 0.00 C ATOM 383 C CYS A 26 -36.523 21.620 9.655 1.00 0.00 C ATOM 384 O CYS A 26 -37.294 22.507 9.351 1.00 0.00 O ATOM 385 CB CYS A 26 -35.892 20.404 7.620 1.00 0.00 C ATOM 386 SG CYS A 26 -34.732 19.955 6.302 1.00 0.00 S ATOM 0 H CYS A 26 -34.167 19.489 9.136 1.00 0.00 H new ATOM 0 HA CYS A 26 -34.868 22.097 8.359 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.310 19.484 8.029 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.717 20.956 7.169 1.00 0.00 H new ATOM 391 N GLN A 27 -36.593 20.932 10.763 1.00 0.00 N ATOM 392 CA GLN A 27 -37.655 21.211 11.744 1.00 0.00 C ATOM 393 C GLN A 27 -37.046 22.003 12.898 1.00 0.00 C ATOM 394 O GLN A 27 -35.909 21.777 13.270 1.00 0.00 O ATOM 395 CB GLN A 27 -38.243 19.925 12.324 1.00 0.00 C ATOM 396 CG GLN A 27 -37.111 18.945 12.713 1.00 0.00 C ATOM 397 CD GLN A 27 -37.039 17.874 11.635 1.00 0.00 C ATOM 398 OE1 GLN A 27 -37.199 18.246 10.398 1.00 0.00 O flip ATOM 399 NE2 GLN A 27 -36.841 16.709 11.889 1.00 0.00 N flip ATOM 0 H GLN A 27 -35.950 20.184 11.023 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.448 21.763 11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -38.849 20.157 13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -38.903 19.457 11.594 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.160 19.471 12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -37.311 18.496 13.686 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -36.715 16.412 12.857 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.800 16.023 11.136 1.00 0.00 H new ATOM 408 N GLY A 28 -37.806 22.906 13.449 1.00 0.00 N ATOM 409 CA GLY A 28 -37.267 23.710 14.582 1.00 0.00 C ATOM 410 C GLY A 28 -36.096 24.563 14.091 1.00 0.00 C ATOM 411 O GLY A 28 -36.292 25.674 13.644 1.00 0.00 O ATOM 0 H GLY A 28 -38.763 23.121 13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -38.049 24.349 14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -36.939 23.051 15.386 1.00 0.00 H new ATOM 415 N LYS A 29 -34.918 24.006 14.189 1.00 0.00 N ATOM 416 CA LYS A 29 -33.672 24.713 13.754 1.00 0.00 C ATOM 417 C LYS A 29 -33.858 25.375 12.389 1.00 0.00 C ATOM 418 O LYS A 29 -33.460 26.505 12.191 1.00 0.00 O ATOM 419 CB LYS A 29 -32.533 23.704 13.681 1.00 0.00 C ATOM 420 CG LYS A 29 -31.187 24.417 13.454 1.00 0.00 C ATOM 421 CD LYS A 29 -30.038 23.381 13.452 1.00 0.00 C ATOM 422 CE LYS A 29 -28.729 24.042 13.939 1.00 0.00 C ATOM 423 NZ LYS A 29 -27.748 24.114 12.821 1.00 0.00 N ATOM 0 H LYS A 29 -34.762 23.069 14.561 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.442 25.494 14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -32.493 23.126 14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.717 22.998 12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.205 24.955 12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -31.020 25.157 14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.293 22.541 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.901 22.980 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.936 25.043 14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.309 23.470 14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -26.871 24.560 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -27.540 23.154 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -28.148 24.679 12.044 1.00 0.00 H new ATOM 437 N TRP A 30 -34.452 24.661 11.473 1.00 0.00 N ATOM 438 CA TRP A 30 -34.673 25.247 10.114 1.00 0.00 C ATOM 439 C TRP A 30 -36.184 25.417 9.880 1.00 0.00 C ATOM 440 O TRP A 30 -36.649 25.191 8.781 1.00 0.00 O ATOM 441 CB TRP A 30 -34.105 24.309 9.053 1.00 0.00 C ATOM 442 CG TRP A 30 -32.586 24.293 8.982 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.771 23.797 9.940 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.747 24.739 7.997 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.509 23.906 9.624 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.456 24.477 8.452 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.938 25.328 6.764 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.362 24.823 7.663 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.853 25.673 5.978 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.565 25.425 6.424 1.00 0.00 C ATOM 0 H TRP A 30 -34.792 23.708 11.601 1.00 0.00 H new ATOM 0 HA TRP A 30 -34.174 26.214 10.048 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.459 23.297 9.252 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.500 24.599 8.079 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.124 23.360 10.862 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.715 23.602 10.187 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.940 25.521 6.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.359 24.625 8.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -31.010 26.136 5.015 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.719 25.698 5.811 1.00 0.00 H new ATOM 461 N ALA A 31 -36.902 25.801 10.904 1.00 0.00 N ATOM 462 CA ALA A 31 -38.388 26.017 10.857 1.00 0.00 C ATOM 463 C ALA A 31 -38.896 26.822 9.657 1.00 0.00 C ATOM 464 O ALA A 31 -39.286 27.969 9.763 1.00 0.00 O ATOM 465 CB ALA A 31 -38.805 26.709 12.168 1.00 0.00 C ATOM 0 H ALA A 31 -36.498 25.984 11.822 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.845 25.034 10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -39.882 26.879 12.163 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.542 26.074 13.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -38.287 27.664 12.256 1.00 0.00 H new ATOM 471 N GLY A 32 -38.863 26.157 8.539 1.00 0.00 N ATOM 472 CA GLY A 32 -39.321 26.780 7.268 1.00 0.00 C ATOM 473 C GLY A 32 -38.167 26.851 6.293 1.00 0.00 C ATOM 474 O GLY A 32 -38.347 26.935 5.098 1.00 0.00 O ATOM 0 H GLY A 32 -38.534 25.196 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -40.137 26.198 6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -39.709 27.780 7.461 1.00 0.00 H new ATOM 478 N LYS A 33 -36.989 26.796 6.839 1.00 0.00 N ATOM 479 CA LYS A 33 -35.748 26.851 6.016 1.00 0.00 C ATOM 480 C LYS A 33 -35.506 25.446 5.417 1.00 0.00 C ATOM 481 O LYS A 33 -34.542 25.223 4.716 1.00 0.00 O ATOM 482 CB LYS A 33 -34.584 27.288 6.949 1.00 0.00 C ATOM 483 CG LYS A 33 -34.778 28.741 7.429 1.00 0.00 C ATOM 484 CD LYS A 33 -34.323 29.727 6.314 1.00 0.00 C ATOM 485 CE LYS A 33 -33.512 30.896 6.918 1.00 0.00 C ATOM 486 NZ LYS A 33 -32.045 30.603 6.882 1.00 0.00 N ATOM 0 H LYS A 33 -36.828 26.713 7.843 1.00 0.00 H new ATOM 0 HA LYS A 33 -35.826 27.564 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.532 26.621 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -33.635 27.199 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -35.825 28.915 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -34.202 28.914 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -33.716 29.198 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -35.194 30.116 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -33.718 31.811 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -33.827 31.069 7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -31.521 31.402 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -31.849 29.742 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -31.743 30.461 5.897 1.00 0.00 H new ATOM 500 N ARG A 34 -36.398 24.533 5.720 1.00 0.00 N ATOM 501 CA ARG A 34 -36.359 23.103 5.236 1.00 0.00 C ATOM 502 C ARG A 34 -35.679 22.912 3.861 1.00 0.00 C ATOM 503 O ARG A 34 -34.648 22.272 3.756 1.00 0.00 O ATOM 504 CB ARG A 34 -37.860 22.605 5.230 1.00 0.00 C ATOM 505 CG ARG A 34 -38.159 21.357 4.325 1.00 0.00 C ATOM 506 CD ARG A 34 -37.493 20.100 4.899 1.00 0.00 C ATOM 507 NE ARG A 34 -37.976 18.880 4.177 1.00 0.00 N ATOM 508 CZ ARG A 34 -38.459 17.856 4.835 1.00 0.00 C ATOM 509 NH1 ARG A 34 -37.772 17.365 5.826 1.00 0.00 N ATOM 510 NH2 ARG A 34 -39.609 17.360 4.474 1.00 0.00 N ATOM 0 H ARG A 34 -37.200 24.730 6.318 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.735 22.510 5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -38.148 22.366 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -38.495 23.428 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -39.236 21.203 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -37.794 21.539 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.410 20.180 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.718 20.014 5.962 1.00 0.00 H new ATOM 0 HE ARG A 34 -37.928 18.846 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -36.874 17.778 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -38.132 16.568 6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -40.118 17.769 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -40.000 16.562 4.975 1.00 0.00 H new ATOM 524 N GLY A 35 -36.281 23.485 2.846 1.00 0.00 N ATOM 525 CA GLY A 35 -35.759 23.403 1.427 1.00 0.00 C ATOM 526 C GLY A 35 -34.273 23.769 1.274 1.00 0.00 C ATOM 527 O GLY A 35 -33.660 23.518 0.255 1.00 0.00 O ATOM 0 H GLY A 35 -37.141 24.025 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.911 22.390 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -36.351 24.066 0.796 1.00 0.00 H new ATOM 531 N LYS A 36 -33.769 24.365 2.312 1.00 0.00 N ATOM 532 CA LYS A 36 -32.357 24.807 2.387 1.00 0.00 C ATOM 533 C LYS A 36 -31.643 23.953 3.448 1.00 0.00 C ATOM 534 O LYS A 36 -30.464 23.703 3.269 1.00 0.00 O ATOM 535 CB LYS A 36 -32.365 26.311 2.749 1.00 0.00 C ATOM 536 CG LYS A 36 -30.999 26.956 2.421 1.00 0.00 C ATOM 537 CD LYS A 36 -30.866 28.315 3.164 1.00 0.00 C ATOM 538 CE LYS A 36 -30.278 29.392 2.224 1.00 0.00 C ATOM 539 NZ LYS A 36 -31.375 30.147 1.551 1.00 0.00 N ATOM 0 H LYS A 36 -34.308 24.573 3.152 1.00 0.00 H new ATOM 0 HA LYS A 36 -31.824 24.679 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -33.155 26.819 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -32.587 26.434 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.190 26.288 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -30.907 27.109 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.843 28.635 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.225 28.197 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.651 30.078 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.639 28.922 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -30.966 30.867 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -31.957 29.490 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -31.968 30.610 2.268 1.00 0.00 H new ATOM 553 N CYS A 37 -32.326 23.521 4.497 1.00 0.00 N ATOM 554 CA CYS A 37 -31.610 22.677 5.533 1.00 0.00 C ATOM 555 C CYS A 37 -31.071 21.493 4.786 1.00 0.00 C ATOM 556 O CYS A 37 -29.958 21.046 4.997 1.00 0.00 O ATOM 557 CB CYS A 37 -32.562 22.133 6.712 1.00 0.00 C ATOM 558 SG CYS A 37 -32.863 20.364 6.948 1.00 0.00 S ATOM 0 H CYS A 37 -33.312 23.707 4.679 1.00 0.00 H new ATOM 0 HA CYS A 37 -30.851 23.292 6.017 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.153 22.512 7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.535 22.604 6.575 1.00 0.00 H new ATOM 563 N ALA A 38 -31.910 21.022 3.908 1.00 0.00 N ATOM 564 CA ALA A 38 -31.503 19.851 3.096 1.00 0.00 C ATOM 565 C ALA A 38 -30.143 20.070 2.410 1.00 0.00 C ATOM 566 O ALA A 38 -29.139 19.505 2.811 1.00 0.00 O ATOM 567 CB ALA A 38 -32.614 19.598 2.063 1.00 0.00 C ATOM 0 H ALA A 38 -32.843 21.391 3.721 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.375 18.982 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.348 18.740 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.552 19.396 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.730 20.478 1.431 1.00 0.00 H new ATOM 573 N ALA A 39 -30.171 20.883 1.381 1.00 0.00 N ATOM 574 CA ALA A 39 -28.929 21.206 0.612 1.00 0.00 C ATOM 575 C ALA A 39 -27.776 21.383 1.591 1.00 0.00 C ATOM 576 O ALA A 39 -26.775 20.698 1.518 1.00 0.00 O ATOM 577 CB ALA A 39 -29.127 22.501 -0.162 1.00 0.00 C ATOM 0 H ALA A 39 -31.014 21.342 1.037 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.710 20.397 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.220 22.733 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.961 22.387 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.342 23.312 0.534 1.00 0.00 H new ATOM 583 N HIS A 40 -27.990 22.317 2.484 1.00 0.00 N ATOM 584 CA HIS A 40 -26.972 22.627 3.523 1.00 0.00 C ATOM 585 C HIS A 40 -26.289 21.384 4.076 1.00 0.00 C ATOM 586 O HIS A 40 -25.080 21.249 4.047 1.00 0.00 O ATOM 587 CB HIS A 40 -27.618 23.366 4.700 1.00 0.00 C ATOM 588 CG HIS A 40 -26.476 23.877 5.618 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.615 23.081 6.196 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.194 25.181 5.953 1.00 0.00 C ATOM 591 CE1 HIS A 40 -24.864 23.932 6.843 1.00 0.00 C ATOM 592 NE2 HIS A 40 -25.154 25.202 6.741 1.00 0.00 N ATOM 0 H HIS A 40 -28.838 22.882 2.534 1.00 0.00 H new ATOM 0 HA HIS A 40 -26.223 23.246 3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -28.224 24.199 4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -28.283 22.701 5.251 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -25.547 22.064 6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.744 26.048 5.618 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -24.031 23.597 7.443 1.00 0.00 H new ATOM 600 N CYS A 41 -27.109 20.497 4.563 1.00 0.00 N ATOM 601 CA CYS A 41 -26.583 19.234 5.154 1.00 0.00 C ATOM 602 C CYS A 41 -25.945 18.329 4.101 1.00 0.00 C ATOM 603 O CYS A 41 -25.018 17.590 4.371 1.00 0.00 O ATOM 604 CB CYS A 41 -27.774 18.588 5.844 1.00 0.00 C ATOM 605 SG CYS A 41 -28.308 19.388 7.379 1.00 0.00 S ATOM 0 H CYS A 41 -28.125 20.592 4.578 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.777 19.424 5.863 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.613 18.577 5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.527 17.549 6.062 1.00 0.00 H new ATOM 610 N ILE A 42 -26.449 18.412 2.904 1.00 0.00 N ATOM 611 CA ILE A 42 -25.884 17.561 1.814 1.00 0.00 C ATOM 612 C ILE A 42 -24.473 18.073 1.465 1.00 0.00 C ATOM 613 O ILE A 42 -23.568 17.317 1.166 1.00 0.00 O ATOM 614 CB ILE A 42 -26.862 17.647 0.599 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.295 16.222 0.148 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.212 18.387 -0.591 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.636 16.303 -0.620 1.00 0.00 C ATOM 0 H ILE A 42 -27.219 19.023 2.631 1.00 0.00 H new ATOM 0 HA ILE A 42 -25.787 16.517 2.113 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.739 18.208 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.527 15.782 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.401 15.572 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -26.917 18.431 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -25.945 19.399 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.315 17.854 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -28.936 15.303 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.403 16.725 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -28.515 16.938 -1.497 1.00 0.00 H new ATOM 629 N ILE A 43 -24.331 19.368 1.508 1.00 0.00 N ATOM 630 CA ILE A 43 -23.013 19.985 1.191 1.00 0.00 C ATOM 631 C ILE A 43 -21.969 19.423 2.152 1.00 0.00 C ATOM 632 O ILE A 43 -20.805 19.323 1.818 1.00 0.00 O ATOM 633 CB ILE A 43 -23.148 21.508 1.357 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.159 22.045 0.328 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.808 22.236 1.149 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.733 23.367 0.853 1.00 0.00 C ATOM 0 H ILE A 43 -25.072 20.027 1.749 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.703 19.762 0.170 1.00 0.00 H new ATOM 0 HB ILE A 43 -23.485 21.696 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.673 22.199 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -24.959 21.321 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.953 23.309 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -21.083 21.879 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.438 22.037 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.452 23.762 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -25.230 23.194 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.925 24.086 0.990 1.00 0.00 H new ATOM 648 N GLN A 44 -22.432 19.057 3.313 1.00 0.00 N ATOM 649 CA GLN A 44 -21.472 18.506 4.323 1.00 0.00 C ATOM 650 C GLN A 44 -20.946 17.119 3.907 1.00 0.00 C ATOM 651 O GLN A 44 -19.766 16.956 3.653 1.00 0.00 O ATOM 652 CB GLN A 44 -22.184 18.418 5.706 1.00 0.00 C ATOM 653 CG GLN A 44 -21.968 19.733 6.500 1.00 0.00 C ATOM 654 CD GLN A 44 -22.897 20.818 5.965 1.00 0.00 C ATOM 655 OE1 GLN A 44 -23.915 21.139 6.544 1.00 0.00 O ATOM 656 NE2 GLN A 44 -22.600 21.423 4.856 1.00 0.00 N ATOM 0 H GLN A 44 -23.407 19.111 3.607 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.614 19.175 4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -23.250 18.240 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.792 17.573 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.162 19.565 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.930 20.055 6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.751 21.172 4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.216 22.149 4.490 1.00 0.00 H new ATOM 665 N LYS A 45 -21.842 16.163 3.849 1.00 0.00 N ATOM 666 CA LYS A 45 -21.472 14.752 3.452 1.00 0.00 C ATOM 667 C LYS A 45 -20.706 14.729 2.137 1.00 0.00 C ATOM 668 O LYS A 45 -19.980 13.795 1.850 1.00 0.00 O ATOM 669 CB LYS A 45 -22.752 13.896 3.303 1.00 0.00 C ATOM 670 CG LYS A 45 -23.762 14.640 2.429 1.00 0.00 C ATOM 671 CD LYS A 45 -24.714 13.678 1.685 1.00 0.00 C ATOM 672 CE LYS A 45 -24.278 13.586 0.213 1.00 0.00 C ATOM 673 NZ LYS A 45 -24.092 14.951 -0.364 1.00 0.00 N ATOM 0 H LYS A 45 -22.831 16.295 4.062 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.834 14.343 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.508 12.932 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.183 13.693 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.347 15.318 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.228 15.253 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.690 12.691 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.741 14.037 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.348 13.023 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.028 13.041 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.635 15.031 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.428 15.664 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.083 15.110 -0.562 1.00 0.00 H new ATOM 687 N ASN A 46 -20.896 15.776 1.376 1.00 0.00 N ATOM 688 CA ASN A 46 -20.198 15.861 0.070 1.00 0.00 C ATOM 689 C ASN A 46 -18.847 16.501 0.329 1.00 0.00 C ATOM 690 O ASN A 46 -17.867 15.812 0.153 1.00 0.00 O ATOM 691 CB ASN A 46 -21.005 16.729 -0.919 1.00 0.00 C ATOM 692 CG ASN A 46 -20.729 16.217 -2.338 1.00 0.00 C ATOM 693 OD1 ASN A 46 -19.606 16.061 -2.768 1.00 0.00 O ATOM 694 ND2 ASN A 46 -21.730 15.941 -3.120 1.00 0.00 N ATOM 0 H ASN A 46 -21.499 16.566 1.604 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.088 14.869 -0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.070 16.672 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.716 17.776 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -21.559 15.603 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.686 16.062 -2.786 1.00 0.00 H new ATOM 701 N ASN A 47 -18.817 17.755 0.739 1.00 0.00 N ATOM 702 CA ASN A 47 -17.510 18.468 1.017 1.00 0.00 C ATOM 703 C ASN A 47 -16.463 17.465 1.508 1.00 0.00 C ATOM 704 O ASN A 47 -15.362 17.349 1.007 1.00 0.00 O ATOM 705 CB ASN A 47 -17.727 19.560 2.100 1.00 0.00 C ATOM 706 CG ASN A 47 -17.921 20.917 1.429 1.00 0.00 C ATOM 707 OD1 ASN A 47 -17.031 21.736 1.397 1.00 0.00 O ATOM 708 ND2 ASN A 47 -19.055 21.215 0.877 1.00 0.00 N ATOM 0 H ASN A 47 -19.649 18.324 0.895 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.159 18.934 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.599 19.316 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -16.870 19.595 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -19.181 22.123 0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -19.821 20.542 0.890 1.00 0.00 H new ATOM 715 N CYS A 48 -16.904 16.765 2.513 1.00 0.00 N ATOM 716 CA CYS A 48 -16.092 15.706 3.183 1.00 0.00 C ATOM 717 C CYS A 48 -15.298 14.845 2.172 1.00 0.00 C ATOM 718 O CYS A 48 -14.093 14.681 2.258 1.00 0.00 O ATOM 719 CB CYS A 48 -17.064 14.842 3.985 1.00 0.00 C ATOM 720 SG CYS A 48 -16.558 14.275 5.628 1.00 0.00 S ATOM 0 H CYS A 48 -17.833 16.888 2.916 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.346 16.168 3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.991 15.404 4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.296 13.961 3.387 1.00 0.00 H new ATOM 725 N LYS A 49 -16.033 14.322 1.225 1.00 0.00 N ATOM 726 CA LYS A 49 -15.440 13.450 0.153 1.00 0.00 C ATOM 727 C LYS A 49 -14.217 14.046 -0.542 1.00 0.00 C ATOM 728 O LYS A 49 -13.458 13.326 -1.162 1.00 0.00 O ATOM 729 CB LYS A 49 -16.512 13.141 -0.936 1.00 0.00 C ATOM 730 CG LYS A 49 -17.407 11.970 -0.497 1.00 0.00 C ATOM 731 CD LYS A 49 -18.404 11.603 -1.629 1.00 0.00 C ATOM 732 CE LYS A 49 -17.768 10.580 -2.612 1.00 0.00 C ATOM 733 NZ LYS A 49 -17.391 11.245 -3.896 1.00 0.00 N ATOM 0 H LYS A 49 -17.040 14.462 1.144 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.111 12.548 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.123 14.026 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.021 12.897 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.791 11.105 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.954 12.240 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.313 11.184 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.694 12.503 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.885 10.131 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.472 9.771 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.763 10.619 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.249 11.442 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.898 12.138 -3.693 1.00 0.00 H new ATOM 747 N GLY A 50 -14.056 15.339 -0.433 1.00 0.00 N ATOM 748 CA GLY A 50 -12.883 16.016 -1.078 1.00 0.00 C ATOM 749 C GLY A 50 -11.977 16.669 -0.043 1.00 0.00 C ATOM 750 O GLY A 50 -11.283 17.627 -0.334 1.00 0.00 O ATOM 0 H GLY A 50 -14.686 15.960 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.313 15.287 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.238 16.770 -1.780 1.00 0.00 H new ATOM 754 N LYS A 51 -12.015 16.125 1.144 1.00 0.00 N ATOM 755 CA LYS A 51 -11.167 16.674 2.244 1.00 0.00 C ATOM 756 C LYS A 51 -10.016 15.710 2.585 1.00 0.00 C ATOM 757 O LYS A 51 -8.905 16.152 2.816 1.00 0.00 O ATOM 758 CB LYS A 51 -12.104 16.937 3.482 1.00 0.00 C ATOM 759 CG LYS A 51 -12.126 15.785 4.533 1.00 0.00 C ATOM 760 CD LYS A 51 -13.320 15.984 5.514 1.00 0.00 C ATOM 761 CE LYS A 51 -12.869 15.941 6.998 1.00 0.00 C ATOM 762 NZ LYS A 51 -12.831 17.320 7.575 1.00 0.00 N ATOM 0 H LYS A 51 -12.595 15.326 1.400 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.698 17.609 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.784 17.855 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.120 17.104 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.215 14.823 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.188 15.769 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.801 16.940 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.065 15.208 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.553 15.318 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.883 15.483 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.527 17.272 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.160 17.904 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.779 17.744 7.523 1.00 0.00 H new ATOM 776 N CYS A 52 -10.304 14.431 2.610 1.00 0.00 N ATOM 777 CA CYS A 52 -9.237 13.428 2.937 1.00 0.00 C ATOM 778 C CYS A 52 -8.637 12.670 1.725 1.00 0.00 C ATOM 779 O CYS A 52 -7.757 13.156 1.046 1.00 0.00 O ATOM 780 CB CYS A 52 -9.828 12.426 3.947 1.00 0.00 C ATOM 781 SG CYS A 52 -10.181 12.973 5.637 1.00 0.00 S ATOM 0 H CYS A 52 -11.226 14.038 2.420 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.396 13.988 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.758 12.046 3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.140 11.583 4.013 1.00 0.00 H new ATOM 786 N LYS A 53 -9.155 11.477 1.504 1.00 0.00 N ATOM 787 CA LYS A 53 -8.714 10.573 0.387 1.00 0.00 C ATOM 788 C LYS A 53 -8.545 11.334 -0.917 1.00 0.00 C ATOM 789 O LYS A 53 -7.696 11.057 -1.741 1.00 0.00 O ATOM 790 CB LYS A 53 -9.762 9.435 0.213 1.00 0.00 C ATOM 791 CG LYS A 53 -11.192 9.966 -0.106 1.00 0.00 C ATOM 792 CD LYS A 53 -12.130 8.747 -0.296 1.00 0.00 C ATOM 793 CE LYS A 53 -13.623 9.117 -0.067 1.00 0.00 C ATOM 794 NZ LYS A 53 -14.225 9.583 -1.349 1.00 0.00 N ATOM 0 H LYS A 53 -9.897 11.079 2.079 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.743 10.151 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.440 8.772 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.797 8.839 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.552 10.600 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.178 10.579 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.006 8.348 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.842 7.957 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.169 8.252 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.703 9.898 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.966 10.285 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.488 10.017 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.641 8.773 -1.852 1.00 0.00 H new ATOM 808 N LYS A 54 -9.411 12.289 -1.030 1.00 0.00 N ATOM 809 CA LYS A 54 -9.472 13.190 -2.198 1.00 0.00 C ATOM 810 C LYS A 54 -9.386 14.565 -1.534 1.00 0.00 C ATOM 811 O LYS A 54 -10.002 14.751 -0.502 1.00 0.00 O ATOM 812 CB LYS A 54 -10.820 12.948 -2.908 1.00 0.00 C ATOM 813 CG LYS A 54 -10.595 12.219 -4.253 1.00 0.00 C ATOM 814 CD LYS A 54 -10.458 10.694 -3.998 1.00 0.00 C ATOM 815 CE LYS A 54 -9.911 9.995 -5.257 1.00 0.00 C ATOM 816 NZ LYS A 54 -10.937 10.017 -6.338 1.00 0.00 N ATOM 0 H LYS A 54 -10.116 12.490 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.701 13.059 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.474 12.354 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.323 13.899 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.429 12.412 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.697 12.599 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.790 10.517 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.427 10.273 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.003 10.495 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.640 8.966 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.560 9.544 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.792 9.521 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.176 11.002 -6.570 1.00 0.00 H new ATOM 830 N GLU A 55 -8.651 15.481 -2.109 1.00 0.00 N ATOM 831 CA GLU A 55 -8.541 16.844 -1.487 1.00 0.00 C ATOM 832 C GLU A 55 -9.258 17.911 -2.338 1.00 0.00 C ATOM 833 O GLU A 55 -9.774 17.532 -3.378 1.00 0.00 O ATOM 834 CB GLU A 55 -7.028 17.192 -1.328 1.00 0.00 C ATOM 835 CG GLU A 55 -6.287 17.237 -2.697 1.00 0.00 C ATOM 836 CD GLU A 55 -6.302 18.669 -3.270 1.00 0.00 C ATOM 837 OE1 GLU A 55 -5.500 19.460 -2.797 1.00 0.00 O ATOM 838 OE2 GLU A 55 -7.121 18.885 -4.150 1.00 0.00 O ATOM 839 OXT GLU A 55 -9.245 19.052 -1.904 1.00 0.00 O ATOM 0 H GLU A 55 -8.125 15.351 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.028 16.835 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.929 18.157 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.553 16.452 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.258 16.899 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.764 16.553 -3.399 1.00 0.00 H new TER 846 GLU A 55