USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=14 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 63:sc= 0.204 USER MOD Single : A 9 TYR OH : rot -15:sc= -0.701 USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.114 F(o=-2.5!,f=-0.11) USER MOD Single : A 15 ASN : amide:sc= -3.6! C(o=-3.6!,f=-20!) USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= -3.1! (180deg=-4.04!) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.103) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.539 F(o=-4.8!,f=-0.54) 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+ -141:sc= 1.31 (180deg=0.328) USER MOD Single : A 40 HIS : no HE2:sc= -1.09! C(o=-1.1!,f=-5!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.571 F(o=-4.2!,f=-0.57) USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 0.47 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.768 K(o=0.77,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.078) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 1.79 (180deg=-0.923!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.830 -3.423 -6.901 1.00 0.00 N ATOM 2 CA ALA A 1 -2.409 -3.272 -6.471 1.00 0.00 C ATOM 3 C ALA A 1 -2.304 -2.309 -5.277 1.00 0.00 C ATOM 4 O ALA A 1 -1.969 -2.708 -4.183 1.00 0.00 O ATOM 5 CB ALA A 1 -1.569 -2.728 -7.643 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.881 -4.077 -7.708 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.393 -3.802 -6.113 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.208 -2.496 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.032 -4.249 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.532 -2.618 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.622 -3.423 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.959 -1.758 -7.951 1.00 0.00 H new ATOM 13 N SER A 2 -2.604 -1.064 -5.532 1.00 0.00 N ATOM 14 CA SER A 2 -2.542 -0.019 -4.461 1.00 0.00 C ATOM 15 C SER A 2 -3.937 0.576 -4.252 1.00 0.00 C ATOM 16 O SER A 2 -4.138 1.772 -4.322 1.00 0.00 O ATOM 17 CB SER A 2 -1.525 1.069 -4.901 1.00 0.00 C ATOM 18 OG SER A 2 -0.908 1.464 -3.682 1.00 0.00 O ATOM 0 H SER A 2 -2.893 -0.719 -6.447 1.00 0.00 H new ATOM 0 HA SER A 2 -2.215 -0.449 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.797 0.674 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.021 1.908 -5.389 1.00 0.00 H new ATOM 0 HG SER A 2 -0.240 2.158 -3.863 1.00 0.00 H new ATOM 24 N ALA A 3 -4.878 -0.292 -3.999 1.00 0.00 N ATOM 25 CA ALA A 3 -6.294 0.150 -3.772 1.00 0.00 C ATOM 26 C ALA A 3 -6.645 0.181 -2.274 1.00 0.00 C ATOM 27 O ALA A 3 -7.769 0.446 -1.900 1.00 0.00 O ATOM 28 CB ALA A 3 -7.231 -0.822 -4.514 1.00 0.00 C ATOM 0 H ALA A 3 -4.730 -1.299 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.414 1.164 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.266 -0.517 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.002 -0.806 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.089 -1.831 -4.127 1.00 0.00 H new ATOM 34 N THR A 4 -5.681 -0.076 -1.441 1.00 0.00 N ATOM 35 CA THR A 4 -5.892 -0.086 0.039 1.00 0.00 C ATOM 36 C THR A 4 -5.801 1.323 0.644 1.00 0.00 C ATOM 37 O THR A 4 -4.973 1.594 1.493 1.00 0.00 O ATOM 38 CB THR A 4 -4.815 -1.043 0.627 1.00 0.00 C ATOM 39 OG1 THR A 4 -3.778 -1.084 -0.355 1.00 0.00 O ATOM 40 CG2 THR A 4 -5.319 -2.491 0.620 1.00 0.00 C ATOM 0 H THR A 4 -4.725 -0.286 -1.729 1.00 0.00 H new ATOM 0 HA THR A 4 -6.896 -0.433 0.284 1.00 0.00 H new ATOM 0 HB THR A 4 -4.539 -0.708 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.391 -0.190 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.552 -3.145 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.224 -2.564 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.540 -2.794 -0.403 1.00 0.00 H new ATOM 48 N TRP A 5 -6.674 2.176 0.179 1.00 0.00 N ATOM 49 CA TRP A 5 -6.701 3.591 0.680 1.00 0.00 C ATOM 50 C TRP A 5 -8.062 3.898 1.317 1.00 0.00 C ATOM 51 O TRP A 5 -8.176 4.028 2.521 1.00 0.00 O ATOM 52 CB TRP A 5 -6.425 4.528 -0.511 1.00 0.00 C ATOM 53 CG TRP A 5 -5.038 4.167 -1.041 1.00 0.00 C ATOM 54 CD1 TRP A 5 -4.758 3.379 -2.120 1.00 0.00 C ATOM 55 CD2 TRP A 5 -3.818 4.540 -0.535 1.00 0.00 C ATOM 56 NE1 TRP A 5 -3.475 3.246 -2.304 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.877 3.933 -1.367 1.00 0.00 C ATOM 58 CE3 TRP A 5 -3.397 5.323 0.534 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -1.521 4.109 -1.128 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.035 5.501 0.775 1.00 0.00 C ATOM 61 CH2 TRP A 5 -1.095 4.893 -0.056 1.00 0.00 C ATOM 0 H TRP A 5 -7.375 1.957 -0.529 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.938 3.739 1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.181 4.401 -1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -6.460 5.572 -0.199 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.510 2.921 -2.746 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.022 2.706 -3.042 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.125 5.794 1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.794 3.638 -1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.708 6.110 1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.040 5.029 0.130 1.00 0.00 H new ATOM 72 N GLY A 6 -9.076 3.993 0.494 1.00 0.00 N ATOM 73 CA GLY A 6 -10.447 4.291 1.016 1.00 0.00 C ATOM 74 C GLY A 6 -10.965 3.149 1.880 1.00 0.00 C ATOM 75 O GLY A 6 -11.958 3.275 2.563 1.00 0.00 O ATOM 0 H GLY A 6 -9.015 3.877 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.425 5.211 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.129 4.458 0.182 1.00 0.00 H new ATOM 79 N ALA A 7 -10.264 2.050 1.828 1.00 0.00 N ATOM 80 CA ALA A 7 -10.680 0.870 2.639 1.00 0.00 C ATOM 81 C ALA A 7 -10.096 1.058 4.044 1.00 0.00 C ATOM 82 O ALA A 7 -10.375 0.296 4.946 1.00 0.00 O ATOM 83 CB ALA A 7 -10.123 -0.410 1.984 1.00 0.00 C ATOM 0 H ALA A 7 -9.426 1.918 1.262 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.765 0.781 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.422 -1.279 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.517 -0.502 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.035 -0.355 1.946 1.00 0.00 H new ATOM 89 N ALA A 8 -9.280 2.072 4.179 1.00 0.00 N ATOM 90 CA ALA A 8 -8.640 2.386 5.482 1.00 0.00 C ATOM 91 C ALA A 8 -9.348 3.555 6.176 1.00 0.00 C ATOM 92 O ALA A 8 -9.851 3.424 7.274 1.00 0.00 O ATOM 93 CB ALA A 8 -7.142 2.727 5.232 1.00 0.00 C ATOM 0 H ALA A 8 -9.028 2.706 3.421 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.718 1.520 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.659 2.960 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.646 1.872 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.071 3.588 4.568 1.00 0.00 H new ATOM 99 N TYR A 9 -9.369 4.686 5.515 1.00 0.00 N ATOM 100 CA TYR A 9 -10.026 5.894 6.119 1.00 0.00 C ATOM 101 C TYR A 9 -11.452 6.344 5.674 1.00 0.00 C ATOM 102 O TYR A 9 -11.692 7.531 5.554 1.00 0.00 O ATOM 103 CB TYR A 9 -8.972 7.038 5.941 1.00 0.00 C ATOM 104 CG TYR A 9 -8.978 7.683 4.540 1.00 0.00 C ATOM 105 CD1 TYR A 9 -8.375 7.088 3.445 1.00 0.00 C ATOM 106 CD2 TYR A 9 -9.596 8.905 4.373 1.00 0.00 C ATOM 107 CE1 TYR A 9 -8.397 7.712 2.211 1.00 0.00 C ATOM 108 CE2 TYR A 9 -9.613 9.521 3.151 1.00 0.00 C ATOM 109 CZ TYR A 9 -9.020 8.937 2.063 1.00 0.00 C ATOM 110 OH TYR A 9 -9.056 9.596 0.853 1.00 0.00 O ATOM 0 H TYR A 9 -8.964 4.828 4.590 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.277 5.619 7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.160 7.811 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.978 6.637 6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.885 6.132 3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.072 9.381 5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.926 7.241 1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.100 10.479 3.043 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.399 9.198 0.244 1.00 0.00 H new HETATM 120 N HYP A 10 -12.395 5.459 5.452 1.00 0.00 N HETATM 121 CA HYP A 10 -13.707 5.824 4.823 1.00 0.00 C HETATM 122 C HYP A 10 -14.576 6.626 5.788 1.00 0.00 C HETATM 123 O HYP A 10 -15.522 7.279 5.392 1.00 0.00 O HETATM 124 CB HYP A 10 -14.389 4.531 4.440 1.00 0.00 C HETATM 125 CG HYP A 10 -13.913 3.657 5.602 1.00 0.00 C HETATM 126 CD HYP A 10 -12.416 3.996 5.752 1.00 0.00 C HETATM 127 OD1 HYP A 10 -14.019 2.335 5.110 1.00 0.00 O HETATM 0 HD23 HYP A 10 -11.798 3.428 5.056 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -12.048 3.780 6.755 1.00 0.00 H new HETATM 0 HG HYP A 10 -14.455 3.790 6.538 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -13.728 1.704 5.801 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -15.474 4.623 4.399 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -14.065 4.155 3.470 1.00 0.00 H new HETATM 0 HA HYP A 10 -13.547 6.453 3.947 1.00 0.00 H new ATOM 135 N ALA A 11 -14.214 6.526 7.037 1.00 0.00 N ATOM 136 CA ALA A 11 -14.932 7.236 8.139 1.00 0.00 C ATOM 137 C ALA A 11 -15.246 8.675 7.717 1.00 0.00 C ATOM 138 O ALA A 11 -16.342 9.166 7.901 1.00 0.00 O ATOM 139 CB ALA A 11 -14.032 7.213 9.367 1.00 0.00 C ATOM 0 H ALA A 11 -13.424 5.963 7.351 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.879 6.745 8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.528 7.725 10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.829 6.180 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.093 7.718 9.139 1.00 0.00 H new ATOM 145 N CYS A 12 -14.220 9.263 7.161 1.00 0.00 N ATOM 146 CA CYS A 12 -14.224 10.672 6.643 1.00 0.00 C ATOM 147 C CYS A 12 -15.435 10.965 5.746 1.00 0.00 C ATOM 148 O CYS A 12 -15.853 12.097 5.607 1.00 0.00 O ATOM 149 CB CYS A 12 -12.919 10.871 5.861 1.00 0.00 C ATOM 150 SG CYS A 12 -12.571 12.444 5.031 1.00 0.00 S ATOM 0 H CYS A 12 -13.322 8.795 7.037 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.296 11.364 7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.098 10.685 6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.878 10.091 5.101 1.00 0.00 H new ATOM 155 N GLU A 13 -15.955 9.912 5.180 1.00 0.00 N ATOM 156 CA GLU A 13 -17.138 9.997 4.261 1.00 0.00 C ATOM 157 C GLU A 13 -18.418 9.395 4.869 1.00 0.00 C ATOM 158 O GLU A 13 -19.455 9.469 4.245 1.00 0.00 O ATOM 159 CB GLU A 13 -16.800 9.242 2.933 1.00 0.00 C ATOM 160 CG GLU A 13 -17.084 10.109 1.668 1.00 0.00 C ATOM 161 CD GLU A 13 -18.244 9.508 0.848 1.00 0.00 C ATOM 162 OE1 GLU A 13 -18.015 8.475 0.237 1.00 0.00 O ATOM 163 OE2 GLU A 13 -19.302 10.114 0.876 1.00 0.00 O ATOM 0 H GLU A 13 -15.602 8.965 5.317 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.335 11.054 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.750 8.950 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.386 8.324 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.332 11.128 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.187 10.167 1.051 1.00 0.00 H new ATOM 170 N ASN A 14 -18.354 8.824 6.043 1.00 0.00 N ATOM 171 CA ASN A 14 -19.581 8.210 6.685 1.00 0.00 C ATOM 172 C ASN A 14 -20.244 9.288 7.518 1.00 0.00 C ATOM 173 O ASN A 14 -21.445 9.466 7.567 1.00 0.00 O ATOM 174 CB ASN A 14 -19.169 7.048 7.612 1.00 0.00 C ATOM 175 CG ASN A 14 -18.728 5.834 6.806 1.00 0.00 C ATOM 176 OD1 ASN A 14 -18.184 6.023 5.645 1.00 0.00 O flip ATOM 177 ND2 ASN A 14 -18.871 4.705 7.222 1.00 0.00 N flip ATOM 0 H ASN A 14 -17.502 8.750 6.599 1.00 0.00 H new ATOM 0 HA ASN A 14 -20.255 7.827 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.357 7.370 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.007 6.777 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -19.298 4.548 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.564 3.911 6.659 1.00 0.00 H new ATOM 184 N ASN A 15 -19.356 9.984 8.149 1.00 0.00 N ATOM 185 CA ASN A 15 -19.643 11.122 9.053 1.00 0.00 C ATOM 186 C ASN A 15 -20.541 12.074 8.277 1.00 0.00 C ATOM 187 O ASN A 15 -21.633 12.364 8.708 1.00 0.00 O ATOM 188 CB ASN A 15 -18.277 11.805 9.444 1.00 0.00 C ATOM 189 CG ASN A 15 -17.424 12.041 8.184 1.00 0.00 C ATOM 190 OD1 ASN A 15 -17.654 11.402 7.180 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.454 12.909 8.138 1.00 0.00 N ATOM 0 H ASN A 15 -18.358 9.791 8.065 1.00 0.00 H new ATOM 0 HA ASN A 15 -20.139 10.815 9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -18.466 12.753 9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.734 11.174 10.147 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.919 13.031 7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.229 13.467 8.962 1.00 0.00 H new ATOM 198 N CYS A 16 -20.075 12.512 7.139 1.00 0.00 N ATOM 199 CA CYS A 16 -20.858 13.456 6.308 1.00 0.00 C ATOM 200 C CYS A 16 -22.105 12.880 5.654 1.00 0.00 C ATOM 201 O CYS A 16 -22.863 13.615 5.047 1.00 0.00 O ATOM 202 CB CYS A 16 -19.903 14.033 5.250 1.00 0.00 C ATOM 203 SG CYS A 16 -18.799 15.364 5.801 1.00 0.00 S ATOM 0 H CYS A 16 -19.170 12.248 6.748 1.00 0.00 H new ATOM 0 HA CYS A 16 -21.253 14.223 6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.290 13.219 4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.500 14.407 4.418 1.00 0.00 H new ATOM 208 N ARG A 17 -22.305 11.595 5.786 1.00 0.00 N ATOM 209 CA ARG A 17 -23.529 10.993 5.160 1.00 0.00 C ATOM 210 C ARG A 17 -24.543 10.826 6.298 1.00 0.00 C ATOM 211 O ARG A 17 -25.670 11.285 6.219 1.00 0.00 O ATOM 212 CB ARG A 17 -23.135 9.644 4.529 1.00 0.00 C ATOM 213 CG ARG A 17 -24.385 8.727 4.359 1.00 0.00 C ATOM 214 CD ARG A 17 -24.421 8.113 2.954 1.00 0.00 C ATOM 215 NE ARG A 17 -24.997 6.733 3.050 1.00 0.00 N ATOM 216 CZ ARG A 17 -24.310 5.712 2.608 1.00 0.00 C ATOM 217 NH1 ARG A 17 -23.681 5.832 1.475 1.00 0.00 N ATOM 218 NH2 ARG A 17 -24.267 4.609 3.300 1.00 0.00 N ATOM 0 H ARG A 17 -21.695 10.947 6.285 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.961 11.608 4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.668 9.814 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.395 9.146 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.365 7.934 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.293 9.305 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.024 8.729 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.417 8.075 2.532 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.921 6.591 3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.731 6.708 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -23.138 5.051 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.769 4.543 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.731 3.812 2.956 1.00 0.00 H new ATOM 232 N LYS A 18 -24.106 10.172 7.341 1.00 0.00 N ATOM 233 CA LYS A 18 -25.010 9.964 8.497 1.00 0.00 C ATOM 234 C LYS A 18 -25.285 11.366 9.043 1.00 0.00 C ATOM 235 O LYS A 18 -26.408 11.669 9.377 1.00 0.00 O ATOM 236 CB LYS A 18 -24.298 9.034 9.525 1.00 0.00 C ATOM 237 CG LYS A 18 -23.224 9.754 10.379 1.00 0.00 C ATOM 238 CD LYS A 18 -22.536 8.731 11.320 1.00 0.00 C ATOM 239 CE LYS A 18 -23.165 8.778 12.731 1.00 0.00 C ATOM 240 NZ LYS A 18 -24.524 8.160 12.717 1.00 0.00 N ATOM 0 H LYS A 18 -23.170 9.778 7.438 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.951 9.476 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -25.046 8.601 10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.830 8.208 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -22.483 10.222 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.684 10.550 10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -22.632 7.727 10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -21.470 8.948 11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -22.526 8.250 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -23.232 9.811 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.133 8.646 13.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -24.936 8.250 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.450 7.154 12.969 1.00 0.00 H new ATOM 254 N LYS A 19 -24.282 12.206 9.125 1.00 0.00 N ATOM 255 CA LYS A 19 -24.496 13.597 9.644 1.00 0.00 C ATOM 256 C LYS A 19 -25.578 14.220 8.765 1.00 0.00 C ATOM 257 O LYS A 19 -26.576 14.639 9.298 1.00 0.00 O ATOM 258 CB LYS A 19 -23.194 14.420 9.539 1.00 0.00 C ATOM 259 CG LYS A 19 -23.377 15.892 9.982 1.00 0.00 C ATOM 260 CD LYS A 19 -23.840 16.018 11.460 1.00 0.00 C ATOM 261 CE LYS A 19 -22.767 15.438 12.408 1.00 0.00 C ATOM 262 NZ LYS A 19 -23.233 14.140 12.974 1.00 0.00 N ATOM 0 H LYS A 19 -23.322 11.990 8.855 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.790 13.582 10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.424 13.953 10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.837 14.397 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.436 16.426 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.108 16.374 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.023 17.065 11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.783 15.489 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.832 15.293 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.563 16.143 13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.579 13.833 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -24.186 14.258 13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.260 13.423 12.221 1.00 0.00 H new ATOM 276 N TYR A 20 -25.387 14.271 7.467 1.00 0.00 N ATOM 277 CA TYR A 20 -26.409 14.861 6.540 1.00 0.00 C ATOM 278 C TYR A 20 -27.777 14.347 6.964 1.00 0.00 C ATOM 279 O TYR A 20 -28.673 15.092 7.310 1.00 0.00 O ATOM 280 CB TYR A 20 -25.968 14.432 5.068 1.00 0.00 C ATOM 281 CG TYR A 20 -27.126 13.979 4.149 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.998 14.867 3.560 1.00 0.00 C ATOM 283 CD2 TYR A 20 -27.293 12.627 3.895 1.00 0.00 C ATOM 284 CE1 TYR A 20 -29.012 14.419 2.737 1.00 0.00 C ATOM 285 CE2 TYR A 20 -28.305 12.180 3.072 1.00 0.00 C ATOM 286 CZ TYR A 20 -29.172 13.071 2.488 1.00 0.00 C ATOM 287 OH TYR A 20 -30.176 12.613 1.664 1.00 0.00 O ATOM 0 H TYR A 20 -24.549 13.922 7.002 1.00 0.00 H new ATOM 0 HA TYR A 20 -26.473 15.949 6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -25.457 15.272 4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.244 13.621 5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.888 15.926 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.621 11.913 4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.686 15.130 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.417 11.122 2.885 1.00 0.00 H new ATOM 0 HH TYR A 20 -30.132 11.636 1.607 1.00 0.00 H new ATOM 297 N ASP A 21 -27.888 13.057 6.945 1.00 0.00 N ATOM 298 CA ASP A 21 -29.181 12.439 7.341 1.00 0.00 C ATOM 299 C ASP A 21 -29.560 12.624 8.806 1.00 0.00 C ATOM 300 O ASP A 21 -30.711 12.453 9.156 1.00 0.00 O ATOM 301 CB ASP A 21 -29.099 10.960 7.009 1.00 0.00 C ATOM 302 CG ASP A 21 -29.849 10.648 5.698 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.971 11.114 5.557 1.00 0.00 O ATOM 304 OD2 ASP A 21 -29.246 9.946 4.900 1.00 0.00 O ATOM 0 H ASP A 21 -27.151 12.405 6.676 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.968 12.949 6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.055 10.662 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -29.525 10.376 7.825 1.00 0.00 H new ATOM 309 N LEU A 22 -28.611 12.961 9.631 1.00 0.00 N ATOM 310 CA LEU A 22 -28.892 13.170 11.091 1.00 0.00 C ATOM 311 C LEU A 22 -28.764 14.657 11.426 1.00 0.00 C ATOM 312 O LEU A 22 -28.801 15.046 12.578 1.00 0.00 O ATOM 313 CB LEU A 22 -27.881 12.365 11.931 1.00 0.00 C ATOM 314 CG LEU A 22 -28.003 10.853 11.613 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.713 10.144 12.048 1.00 0.00 C ATOM 316 CD2 LEU A 22 -29.191 10.246 12.369 1.00 0.00 C ATOM 0 H LEU A 22 -27.638 13.104 9.360 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.903 12.831 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.868 12.708 11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -28.061 12.536 12.992 1.00 0.00 H new ATOM 0 HG LEU A 22 -28.161 10.724 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.791 9.079 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.866 10.566 11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -26.565 10.283 13.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -29.266 9.184 12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -29.043 10.374 13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -30.110 10.749 12.067 1.00 0.00 H new ATOM 328 N CYS A 23 -28.606 15.441 10.393 1.00 0.00 N ATOM 329 CA CYS A 23 -28.469 16.913 10.550 1.00 0.00 C ATOM 330 C CYS A 23 -29.601 17.662 9.873 1.00 0.00 C ATOM 331 O CYS A 23 -29.914 18.760 10.294 1.00 0.00 O ATOM 332 CB CYS A 23 -27.166 17.403 9.943 1.00 0.00 C ATOM 333 SG CYS A 23 -27.088 19.197 9.704 1.00 0.00 S ATOM 0 H CYS A 23 -28.566 15.113 9.428 1.00 0.00 H new ATOM 0 HA CYS A 23 -28.491 17.109 11.622 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -26.341 17.097 10.586 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -27.019 16.913 8.981 1.00 0.00 H new ATOM 338 N ILE A 24 -30.199 17.099 8.852 1.00 0.00 N ATOM 339 CA ILE A 24 -31.310 17.863 8.215 1.00 0.00 C ATOM 340 C ILE A 24 -32.516 17.873 9.166 1.00 0.00 C ATOM 341 O ILE A 24 -33.459 17.105 9.120 1.00 0.00 O ATOM 342 CB ILE A 24 -31.621 17.197 6.810 1.00 0.00 C ATOM 343 CG1 ILE A 24 -30.755 17.939 5.761 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.071 17.411 6.343 1.00 0.00 C ATOM 345 CD1 ILE A 24 -29.428 17.223 5.604 1.00 0.00 C ATOM 0 H ILE A 24 -29.980 16.188 8.449 1.00 0.00 H new ATOM 0 HA ILE A 24 -31.044 18.905 8.035 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.428 16.129 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.276 17.976 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.589 18.970 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.216 16.930 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -33.756 16.976 7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.270 18.479 6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -28.818 17.744 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -28.907 17.209 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -29.604 16.200 5.272 1.00 0.00 H new ATOM 357 N ARG A 25 -32.426 18.802 10.068 1.00 0.00 N ATOM 358 CA ARG A 25 -33.480 19.009 11.087 1.00 0.00 C ATOM 359 C ARG A 25 -34.197 20.177 10.462 1.00 0.00 C ATOM 360 O ARG A 25 -34.313 21.236 11.049 1.00 0.00 O ATOM 361 CB ARG A 25 -32.861 19.407 12.452 1.00 0.00 C ATOM 362 CG ARG A 25 -32.678 18.163 13.349 1.00 0.00 C ATOM 363 CD ARG A 25 -31.623 17.246 12.732 1.00 0.00 C ATOM 364 NE ARG A 25 -32.282 16.398 11.695 1.00 0.00 N ATOM 365 CZ ARG A 25 -32.080 15.112 11.664 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.170 14.430 12.771 1.00 0.00 N ATOM 367 NH2 ARG A 25 -31.795 14.568 10.517 1.00 0.00 N ATOM 0 H ARG A 25 -31.639 19.447 10.142 1.00 0.00 H new ATOM 0 HA ARG A 25 -34.099 18.139 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.898 19.892 12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.504 20.131 12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -32.373 18.465 14.351 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -33.624 17.631 13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -30.822 17.836 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -31.168 16.620 13.500 1.00 0.00 H new ATOM 0 HE ARG A 25 -32.896 16.830 11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -32.396 14.904 13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.015 13.422 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -31.736 15.146 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.631 13.563 10.456 1.00 0.00 H new ATOM 381 N CYS A 26 -34.688 19.966 9.265 1.00 0.00 N ATOM 382 CA CYS A 26 -35.407 21.100 8.613 1.00 0.00 C ATOM 383 C CYS A 26 -36.751 21.371 9.325 1.00 0.00 C ATOM 384 O CYS A 26 -37.622 22.040 8.807 1.00 0.00 O ATOM 385 CB CYS A 26 -35.701 20.806 7.170 1.00 0.00 C ATOM 386 SG CYS A 26 -34.321 20.580 6.017 1.00 0.00 S ATOM 0 H CYS A 26 -34.627 19.098 8.732 1.00 0.00 H new ATOM 0 HA CYS A 26 -34.755 21.971 8.684 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.309 19.902 7.136 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.318 21.619 6.788 1.00 0.00 H new ATOM 391 N GLN A 27 -36.872 20.829 10.510 1.00 0.00 N ATOM 392 CA GLN A 27 -38.087 20.988 11.324 1.00 0.00 C ATOM 393 C GLN A 27 -37.592 21.696 12.590 1.00 0.00 C ATOM 394 O GLN A 27 -36.413 21.607 12.871 1.00 0.00 O ATOM 395 CB GLN A 27 -38.706 19.625 11.719 1.00 0.00 C ATOM 396 CG GLN A 27 -37.693 18.704 12.464 1.00 0.00 C ATOM 397 CD GLN A 27 -37.143 17.700 11.471 1.00 0.00 C ATOM 398 OE1 GLN A 27 -36.951 18.107 10.255 1.00 0.00 O flip ATOM 399 NE2 GLN A 27 -36.889 16.559 11.785 1.00 0.00 N flip ATOM 0 H GLN A 27 -36.145 20.265 10.951 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.860 21.531 10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -39.574 19.795 12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -39.062 19.118 10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.885 19.297 12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -38.184 18.191 13.291 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -37.043 16.248 12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.521 15.909 11.091 1.00 0.00 H new ATOM 408 N GLY A 28 -38.461 22.348 13.319 1.00 0.00 N ATOM 409 CA GLY A 28 -38.042 23.068 14.576 1.00 0.00 C ATOM 410 C GLY A 28 -36.693 23.792 14.424 1.00 0.00 C ATOM 411 O GLY A 28 -36.686 24.958 14.091 1.00 0.00 O ATOM 0 H GLY A 28 -39.455 22.417 13.101 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -38.810 23.792 14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -37.975 22.352 15.395 1.00 0.00 H new ATOM 415 N LYS A 29 -35.606 23.105 14.673 1.00 0.00 N ATOM 416 CA LYS A 29 -34.240 23.714 14.549 1.00 0.00 C ATOM 417 C LYS A 29 -34.188 24.617 13.305 1.00 0.00 C ATOM 418 O LYS A 29 -33.700 25.729 13.364 1.00 0.00 O ATOM 419 CB LYS A 29 -33.211 22.581 14.440 1.00 0.00 C ATOM 420 CG LYS A 29 -31.780 23.170 14.379 1.00 0.00 C ATOM 421 CD LYS A 29 -30.768 22.211 15.066 1.00 0.00 C ATOM 422 CE LYS A 29 -30.438 22.738 16.482 1.00 0.00 C ATOM 423 NZ LYS A 29 -29.959 21.630 17.358 1.00 0.00 N ATOM 0 H LYS A 29 -35.606 22.127 14.963 1.00 0.00 H new ATOM 0 HA LYS A 29 -34.014 24.325 15.423 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -33.302 21.912 15.296 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -33.406 21.985 13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.490 23.331 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -31.759 24.143 14.870 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -31.187 21.207 15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.857 22.140 14.471 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.675 23.514 16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -31.324 23.198 16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -29.743 22.004 18.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.699 20.903 17.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.101 21.209 16.948 1.00 0.00 H new ATOM 437 N TRP A 30 -34.699 24.105 12.212 1.00 0.00 N ATOM 438 CA TRP A 30 -34.706 24.908 10.944 1.00 0.00 C ATOM 439 C TRP A 30 -36.173 25.153 10.546 1.00 0.00 C ATOM 440 O TRP A 30 -36.534 25.015 9.392 1.00 0.00 O ATOM 441 CB TRP A 30 -34.027 24.138 9.822 1.00 0.00 C ATOM 442 CG TRP A 30 -32.520 24.019 9.989 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.896 23.237 10.893 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.511 24.627 9.295 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.594 23.321 10.810 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.320 24.161 9.847 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.486 25.512 8.243 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.104 24.608 9.333 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.285 25.957 7.732 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.085 25.513 8.268 1.00 0.00 C ATOM 0 H TRP A 30 -35.109 23.174 12.140 1.00 0.00 H new ATOM 0 HA TRP A 30 -34.173 25.845 11.105 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.458 23.138 9.766 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.241 24.631 8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.414 22.612 11.605 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.918 22.823 11.389 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.414 25.861 7.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.176 24.255 9.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -30.279 26.656 6.909 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.146 25.863 7.866 1.00 0.00 H new ATOM 461 N ALA A 31 -36.986 25.517 11.498 1.00 0.00 N ATOM 462 CA ALA A 31 -38.438 25.776 11.244 1.00 0.00 C ATOM 463 C ALA A 31 -38.695 26.898 10.241 1.00 0.00 C ATOM 464 O ALA A 31 -39.066 28.004 10.589 1.00 0.00 O ATOM 465 CB ALA A 31 -39.114 26.105 12.588 1.00 0.00 C ATOM 0 H ALA A 31 -36.700 25.650 12.468 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.859 24.876 10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -40.174 26.297 12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.999 25.262 13.269 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -38.648 26.989 13.023 1.00 0.00 H new ATOM 471 N GLY A 32 -38.483 26.544 9.005 1.00 0.00 N ATOM 472 CA GLY A 32 -38.685 27.528 7.903 1.00 0.00 C ATOM 473 C GLY A 32 -37.358 27.808 7.230 1.00 0.00 C ATOM 474 O GLY A 32 -37.288 28.438 6.197 1.00 0.00 O ATOM 0 H GLY A 32 -38.179 25.617 8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -39.398 27.137 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -39.107 28.452 8.298 1.00 0.00 H new ATOM 478 N LYS A 33 -36.325 27.304 7.849 1.00 0.00 N ATOM 479 CA LYS A 33 -34.949 27.484 7.316 1.00 0.00 C ATOM 480 C LYS A 33 -34.673 26.244 6.438 1.00 0.00 C ATOM 481 O LYS A 33 -33.617 26.107 5.857 1.00 0.00 O ATOM 482 CB LYS A 33 -33.984 27.581 8.531 1.00 0.00 C ATOM 483 CG LYS A 33 -34.284 28.850 9.363 1.00 0.00 C ATOM 484 CD LYS A 33 -35.131 28.474 10.599 1.00 0.00 C ATOM 485 CE LYS A 33 -35.807 29.725 11.182 1.00 0.00 C ATOM 486 NZ LYS A 33 -34.989 30.303 12.287 1.00 0.00 N ATOM 0 H LYS A 33 -36.380 26.767 8.715 1.00 0.00 H new ATOM 0 HA LYS A 33 -34.817 28.386 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.089 26.695 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -32.952 27.604 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -33.352 29.319 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -34.817 29.579 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -35.887 27.740 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -34.498 28.009 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -35.944 30.469 10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -36.799 29.468 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -35.464 31.147 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -34.880 29.598 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -34.052 30.568 11.923 1.00 0.00 H new ATOM 500 N ARG A 34 -35.651 25.373 6.374 1.00 0.00 N ATOM 501 CA ARG A 34 -35.618 24.098 5.580 1.00 0.00 C ATOM 502 C ARG A 34 -34.727 24.150 4.321 1.00 0.00 C ATOM 503 O ARG A 34 -33.740 23.446 4.224 1.00 0.00 O ATOM 504 CB ARG A 34 -37.120 23.778 5.241 1.00 0.00 C ATOM 505 CG ARG A 34 -37.344 22.876 3.988 1.00 0.00 C ATOM 506 CD ARG A 34 -36.849 21.454 4.266 1.00 0.00 C ATOM 507 NE ARG A 34 -37.335 20.543 3.184 1.00 0.00 N ATOM 508 CZ ARG A 34 -38.069 19.501 3.475 1.00 0.00 C ATOM 509 NH1 ARG A 34 -37.679 18.695 4.423 1.00 0.00 N ATOM 510 NH2 ARG A 34 -39.166 19.302 2.806 1.00 0.00 N ATOM 0 H ARG A 34 -36.530 25.505 6.875 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.152 23.306 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -37.574 23.291 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -37.649 24.719 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -38.403 22.856 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -36.814 23.293 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -35.760 21.437 4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.212 21.113 5.235 1.00 0.00 H new ATOM 0 HE ARG A 34 -37.092 20.736 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -36.812 18.882 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -38.241 17.878 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -39.440 19.953 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -39.753 18.495 3.017 1.00 0.00 H new ATOM 524 N GLY A 35 -35.106 24.998 3.394 1.00 0.00 N ATOM 525 CA GLY A 35 -34.351 25.178 2.094 1.00 0.00 C ATOM 526 C GLY A 35 -32.838 25.380 2.259 1.00 0.00 C ATOM 527 O GLY A 35 -32.071 25.254 1.322 1.00 0.00 O ATOM 0 H GLY A 35 -35.930 25.593 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -34.522 24.304 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -34.764 26.037 1.565 1.00 0.00 H new ATOM 531 N LYS A 36 -32.476 25.698 3.466 1.00 0.00 N ATOM 532 CA LYS A 36 -31.065 25.934 3.833 1.00 0.00 C ATOM 533 C LYS A 36 -30.610 24.802 4.765 1.00 0.00 C ATOM 534 O LYS A 36 -29.451 24.445 4.676 1.00 0.00 O ATOM 535 CB LYS A 36 -31.004 27.325 4.505 1.00 0.00 C ATOM 536 CG LYS A 36 -29.541 27.795 4.689 1.00 0.00 C ATOM 537 CD LYS A 36 -29.526 29.172 5.418 1.00 0.00 C ATOM 538 CE LYS A 36 -28.966 29.038 6.855 1.00 0.00 C ATOM 539 NZ LYS A 36 -30.074 28.939 7.851 1.00 0.00 N ATOM 0 H LYS A 36 -33.131 25.807 4.241 1.00 0.00 H new ATOM 0 HA LYS A 36 -30.394 25.931 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.548 28.049 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.500 27.285 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -28.981 27.059 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -29.050 27.879 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -28.919 29.879 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.537 29.578 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -28.332 28.154 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.339 29.899 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -29.823 29.479 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -30.947 29.327 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -30.225 27.942 8.105 1.00 0.00 H new ATOM 553 N CYS A 37 -31.474 24.258 5.605 1.00 0.00 N ATOM 554 CA CYS A 37 -31.038 23.141 6.528 1.00 0.00 C ATOM 555 C CYS A 37 -30.453 22.082 5.655 1.00 0.00 C ATOM 556 O CYS A 37 -29.381 21.542 5.873 1.00 0.00 O ATOM 557 CB CYS A 37 -32.227 22.437 7.356 1.00 0.00 C ATOM 558 SG CYS A 37 -32.618 20.685 7.099 1.00 0.00 S ATOM 0 H CYS A 37 -32.452 24.535 5.692 1.00 0.00 H new ATOM 0 HA CYS A 37 -30.358 23.579 7.258 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.000 22.564 8.415 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.137 23.002 7.155 1.00 0.00 H new ATOM 563 N ALA A 38 -31.235 21.843 4.649 1.00 0.00 N ATOM 564 CA ALA A 38 -30.824 20.822 3.689 1.00 0.00 C ATOM 565 C ALA A 38 -29.521 21.128 2.994 1.00 0.00 C ATOM 566 O ALA A 38 -28.520 20.526 3.330 1.00 0.00 O ATOM 567 CB ALA A 38 -31.954 20.669 2.705 1.00 0.00 C ATOM 0 H ALA A 38 -32.124 22.306 4.460 1.00 0.00 H new ATOM 0 HA ALA A 38 -30.629 19.891 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -31.692 19.913 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -32.857 20.362 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.132 21.621 2.204 1.00 0.00 H new ATOM 573 N ALA A 39 -29.568 22.032 2.048 1.00 0.00 N ATOM 574 CA ALA A 39 -28.331 22.412 1.296 1.00 0.00 C ATOM 575 C ALA A 39 -27.106 22.341 2.200 1.00 0.00 C ATOM 576 O ALA A 39 -26.144 21.637 1.947 1.00 0.00 O ATOM 577 CB ALA A 39 -28.501 23.832 0.764 1.00 0.00 C ATOM 0 H ALA A 39 -30.413 22.526 1.762 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.183 21.716 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -27.607 24.124 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.365 23.871 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -28.653 24.517 1.598 1.00 0.00 H new ATOM 583 N HIS A 40 -27.237 23.099 3.255 1.00 0.00 N ATOM 584 CA HIS A 40 -26.160 23.173 4.258 1.00 0.00 C ATOM 585 C HIS A 40 -25.652 21.794 4.605 1.00 0.00 C ATOM 586 O HIS A 40 -24.470 21.530 4.469 1.00 0.00 O ATOM 587 CB HIS A 40 -26.662 23.838 5.549 1.00 0.00 C ATOM 588 CG HIS A 40 -25.438 24.037 6.492 1.00 0.00 C ATOM 589 ND1 HIS A 40 -24.270 23.480 6.283 1.00 0.00 N ATOM 590 CD2 HIS A 40 -25.380 24.789 7.641 1.00 0.00 C ATOM 591 CE1 HIS A 40 -23.576 23.915 7.296 1.00 0.00 C ATOM 592 NE2 HIS A 40 -24.179 24.702 8.149 1.00 0.00 N ATOM 0 H HIS A 40 -28.056 23.672 3.458 1.00 0.00 H new ATOM 0 HA HIS A 40 -25.355 23.765 3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -27.132 24.796 5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -27.417 23.216 6.030 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -23.979 22.865 5.523 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.196 25.360 8.057 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -22.541 23.636 7.427 1.00 0.00 H new ATOM 600 N CYS A 41 -26.548 20.953 5.034 1.00 0.00 N ATOM 601 CA CYS A 41 -26.103 19.593 5.403 1.00 0.00 C ATOM 602 C CYS A 41 -26.187 18.589 4.279 1.00 0.00 C ATOM 603 O CYS A 41 -26.372 17.409 4.487 1.00 0.00 O ATOM 604 CB CYS A 41 -26.928 19.221 6.609 1.00 0.00 C ATOM 605 SG CYS A 41 -25.916 19.483 8.088 1.00 0.00 S ATOM 0 H CYS A 41 -27.544 21.145 5.142 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.037 19.583 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -27.832 19.829 6.654 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.247 18.181 6.546 1.00 0.00 H new ATOM 610 N ILE A 42 -26.044 19.087 3.090 1.00 0.00 N ATOM 611 CA ILE A 42 -26.098 18.199 1.895 1.00 0.00 C ATOM 612 C ILE A 42 -24.783 18.376 1.138 1.00 0.00 C ATOM 613 O ILE A 42 -24.134 17.436 0.717 1.00 0.00 O ATOM 614 CB ILE A 42 -27.342 18.635 1.078 1.00 0.00 C ATOM 615 CG1 ILE A 42 -28.525 17.748 1.526 1.00 0.00 C ATOM 616 CG2 ILE A 42 -27.089 18.477 -0.437 1.00 0.00 C ATOM 617 CD1 ILE A 42 -29.834 18.177 0.842 1.00 0.00 C ATOM 0 H ILE A 42 -25.891 20.075 2.889 1.00 0.00 H new ATOM 0 HA ILE A 42 -26.199 17.139 2.130 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.562 19.687 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -28.312 16.706 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -28.640 17.810 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -27.976 18.789 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -26.242 19.097 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -26.870 17.433 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -30.648 17.534 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -30.058 19.212 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -29.725 18.090 -0.239 1.00 0.00 H new ATOM 629 N ILE A 43 -24.412 19.619 0.996 1.00 0.00 N ATOM 630 CA ILE A 43 -23.147 19.957 0.282 1.00 0.00 C ATOM 631 C ILE A 43 -21.986 19.331 1.041 1.00 0.00 C ATOM 632 O ILE A 43 -20.869 19.332 0.579 1.00 0.00 O ATOM 633 CB ILE A 43 -22.995 21.489 0.225 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.315 22.110 -0.286 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.862 21.864 -0.755 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.457 23.507 0.353 1.00 0.00 C ATOM 0 H ILE A 43 -24.935 20.421 1.347 1.00 0.00 H new ATOM 0 HA ILE A 43 -23.161 19.571 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 43 -22.760 21.864 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -24.306 22.186 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -25.163 21.479 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.758 22.948 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -20.926 21.421 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -22.102 21.488 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.382 23.972 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -24.480 23.410 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.610 24.128 0.062 1.00 0.00 H new ATOM 648 N GLN A 44 -22.282 18.797 2.193 1.00 0.00 N ATOM 649 CA GLN A 44 -21.222 18.161 3.016 1.00 0.00 C ATOM 650 C GLN A 44 -21.047 16.793 2.367 1.00 0.00 C ATOM 651 O GLN A 44 -19.996 16.505 1.838 1.00 0.00 O ATOM 652 CB GLN A 44 -21.701 18.019 4.484 1.00 0.00 C ATOM 653 CG GLN A 44 -22.259 19.334 5.071 1.00 0.00 C ATOM 654 CD GLN A 44 -21.460 20.588 4.690 1.00 0.00 C ATOM 655 OE1 GLN A 44 -21.637 21.099 3.511 1.00 0.00 O flip ATOM 656 NE2 GLN A 44 -20.674 21.116 5.450 1.00 0.00 N flip ATOM 0 H GLN A 44 -23.217 18.775 2.600 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.295 18.734 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -22.472 17.250 4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.869 17.678 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -23.289 19.459 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -22.285 19.251 6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -20.524 20.726 6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -20.164 21.950 5.158 1.00 0.00 H new ATOM 665 N LYS A 45 -22.084 15.993 2.416 1.00 0.00 N ATOM 666 CA LYS A 45 -22.059 14.621 1.812 1.00 0.00 C ATOM 667 C LYS A 45 -21.278 14.670 0.492 1.00 0.00 C ATOM 668 O LYS A 45 -20.495 13.793 0.193 1.00 0.00 O ATOM 669 CB LYS A 45 -23.518 14.167 1.576 1.00 0.00 C ATOM 670 CG LYS A 45 -23.586 12.621 1.530 1.00 0.00 C ATOM 671 CD LYS A 45 -25.069 12.160 1.506 1.00 0.00 C ATOM 672 CE LYS A 45 -25.484 11.759 0.076 1.00 0.00 C ATOM 673 NZ LYS A 45 -26.968 11.810 -0.071 1.00 0.00 N ATOM 0 H LYS A 45 -22.969 16.239 2.860 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.568 13.910 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -24.159 14.545 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.892 14.584 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -23.066 12.251 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.079 12.200 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.205 11.315 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.712 12.963 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.018 12.430 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.125 10.754 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.308 10.914 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.404 11.957 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.228 12.595 -0.702 1.00 0.00 H new ATOM 687 N ASN A 46 -21.513 15.716 -0.265 1.00 0.00 N ATOM 688 CA ASN A 46 -20.793 15.849 -1.573 1.00 0.00 C ATOM 689 C ASN A 46 -19.459 16.626 -1.517 1.00 0.00 C ATOM 690 O ASN A 46 -18.606 16.367 -2.346 1.00 0.00 O ATOM 691 CB ASN A 46 -21.729 16.538 -2.599 1.00 0.00 C ATOM 692 CG ASN A 46 -21.547 15.860 -3.967 1.00 0.00 C ATOM 693 OD1 ASN A 46 -22.487 15.592 -4.682 1.00 0.00 O ATOM 694 ND2 ASN A 46 -20.357 15.556 -4.388 1.00 0.00 N ATOM 0 H ASN A 46 -22.160 16.471 -0.040 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.532 14.832 -1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.767 16.461 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.495 17.600 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.237 15.106 -5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.543 15.767 -3.811 1.00 0.00 H new ATOM 701 N ASN A 47 -19.282 17.537 -0.591 1.00 0.00 N ATOM 702 CA ASN A 47 -17.984 18.307 -0.521 1.00 0.00 C ATOM 703 C ASN A 47 -16.966 17.621 0.397 1.00 0.00 C ATOM 704 O ASN A 47 -15.803 17.973 0.410 1.00 0.00 O ATOM 705 CB ASN A 47 -18.245 19.732 0.007 1.00 0.00 C ATOM 706 CG ASN A 47 -16.999 20.601 -0.173 1.00 0.00 C ATOM 707 OD1 ASN A 47 -16.752 21.144 -1.229 1.00 0.00 O ATOM 708 ND2 ASN A 47 -16.182 20.766 0.824 1.00 0.00 N ATOM 0 H ASN A 47 -19.971 17.785 0.119 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.573 18.344 -1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -19.086 20.176 -0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -18.520 19.692 1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.349 21.344 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -16.373 20.317 1.720 1.00 0.00 H new ATOM 715 N CYS A 48 -17.439 16.658 1.139 1.00 0.00 N ATOM 716 CA CYS A 48 -16.567 15.890 2.090 1.00 0.00 C ATOM 717 C CYS A 48 -15.798 14.910 1.202 1.00 0.00 C ATOM 718 O CYS A 48 -14.591 14.803 1.280 1.00 0.00 O ATOM 719 CB CYS A 48 -17.466 15.143 3.096 1.00 0.00 C ATOM 720 SG CYS A 48 -17.039 15.024 4.853 1.00 0.00 S ATOM 0 H CYS A 48 -18.415 16.360 1.130 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.889 16.519 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.452 15.605 3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.572 14.123 2.727 1.00 0.00 H new ATOM 725 N LYS A 49 -16.564 14.220 0.386 1.00 0.00 N ATOM 726 CA LYS A 49 -16.028 13.207 -0.586 1.00 0.00 C ATOM 727 C LYS A 49 -14.586 13.554 -0.986 1.00 0.00 C ATOM 728 O LYS A 49 -13.678 12.793 -0.749 1.00 0.00 O ATOM 729 CB LYS A 49 -16.941 13.192 -1.838 1.00 0.00 C ATOM 730 CG LYS A 49 -18.144 12.231 -1.635 1.00 0.00 C ATOM 731 CD LYS A 49 -17.836 10.867 -2.310 1.00 0.00 C ATOM 732 CE LYS A 49 -19.148 10.105 -2.600 1.00 0.00 C ATOM 733 NZ LYS A 49 -19.701 10.508 -3.928 1.00 0.00 N ATOM 0 H LYS A 49 -17.578 14.322 0.353 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.020 12.222 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.305 14.199 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.365 12.881 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.333 12.088 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.047 12.666 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.288 11.028 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.196 10.269 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.963 9.031 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.877 10.312 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.583 9.988 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.896 11.530 -3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.010 10.288 -4.673 1.00 0.00 H new ATOM 747 N GLY A 50 -14.456 14.716 -1.578 1.00 0.00 N ATOM 748 CA GLY A 50 -13.131 15.252 -2.047 1.00 0.00 C ATOM 749 C GLY A 50 -11.915 14.888 -1.181 1.00 0.00 C ATOM 750 O GLY A 50 -10.842 14.648 -1.694 1.00 0.00 O ATOM 0 H GLY A 50 -15.241 15.340 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.953 14.890 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.200 16.338 -2.104 1.00 0.00 H new ATOM 754 N LYS A 51 -12.110 14.862 0.110 1.00 0.00 N ATOM 755 CA LYS A 51 -11.003 14.522 1.059 1.00 0.00 C ATOM 756 C LYS A 51 -11.197 13.101 1.586 1.00 0.00 C ATOM 757 O LYS A 51 -10.276 12.470 2.072 1.00 0.00 O ATOM 758 CB LYS A 51 -11.007 15.585 2.211 1.00 0.00 C ATOM 759 CG LYS A 51 -11.894 15.167 3.410 1.00 0.00 C ATOM 760 CD LYS A 51 -12.301 16.397 4.258 1.00 0.00 C ATOM 761 CE LYS A 51 -12.676 15.943 5.686 1.00 0.00 C ATOM 762 NZ LYS A 51 -13.248 17.094 6.447 1.00 0.00 N ATOM 0 H LYS A 51 -13.004 15.065 0.557 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.034 14.550 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.986 15.742 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.360 16.538 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.788 14.661 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.355 14.454 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.479 17.112 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.145 16.907 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.400 15.129 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.795 15.558 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.499 16.785 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.544 17.858 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.099 17.442 5.962 1.00 0.00 H new ATOM 776 N CYS A 52 -12.400 12.641 1.454 1.00 0.00 N ATOM 777 CA CYS A 52 -12.769 11.282 1.914 1.00 0.00 C ATOM 778 C CYS A 52 -12.795 10.337 0.709 1.00 0.00 C ATOM 779 O CYS A 52 -13.835 9.840 0.322 1.00 0.00 O ATOM 780 CB CYS A 52 -14.103 11.458 2.580 1.00 0.00 C ATOM 781 SG CYS A 52 -14.145 12.790 3.804 1.00 0.00 S ATOM 0 H CYS A 52 -13.167 13.166 1.034 1.00 0.00 H new ATOM 0 HA CYS A 52 -12.065 10.834 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -14.855 11.656 1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -14.381 10.523 3.066 1.00 0.00 H new ATOM 786 N LYS A 53 -11.616 10.139 0.174 1.00 0.00 N ATOM 787 CA LYS A 53 -11.355 9.263 -1.014 1.00 0.00 C ATOM 788 C LYS A 53 -11.558 10.063 -2.303 1.00 0.00 C ATOM 789 O LYS A 53 -11.876 11.234 -2.310 1.00 0.00 O ATOM 790 CB LYS A 53 -12.309 8.007 -1.046 1.00 0.00 C ATOM 791 CG LYS A 53 -12.161 7.189 0.263 1.00 0.00 C ATOM 792 CD LYS A 53 -13.343 6.186 0.425 1.00 0.00 C ATOM 793 CE LYS A 53 -14.514 6.876 1.153 1.00 0.00 C ATOM 794 NZ LYS A 53 -15.387 7.571 0.168 1.00 0.00 N ATOM 0 H LYS A 53 -10.770 10.578 0.538 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.326 8.912 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.343 8.330 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.068 7.380 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.216 6.646 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.131 7.864 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.668 5.832 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.016 5.312 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.093 6.138 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.130 7.592 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.358 7.616 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.032 8.535 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.382 7.047 -0.731 1.00 0.00 H new ATOM 808 N LYS A 54 -11.351 9.373 -3.388 1.00 0.00 N ATOM 809 CA LYS A 54 -11.504 9.978 -4.747 1.00 0.00 C ATOM 810 C LYS A 54 -12.684 9.278 -5.436 1.00 0.00 C ATOM 811 O LYS A 54 -12.951 9.456 -6.607 1.00 0.00 O ATOM 812 CB LYS A 54 -10.184 9.767 -5.540 1.00 0.00 C ATOM 813 CG LYS A 54 -9.590 8.341 -5.311 1.00 0.00 C ATOM 814 CD LYS A 54 -8.651 8.328 -4.068 1.00 0.00 C ATOM 815 CE LYS A 54 -7.260 8.885 -4.427 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.643 9.523 -3.228 1.00 0.00 N ATOM 0 H LYS A 54 -11.075 8.391 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.701 11.049 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.371 9.916 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.454 10.518 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.398 7.623 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.035 8.026 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.091 8.924 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.554 7.310 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.620 8.082 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.347 9.614 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.705 9.896 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.249 10.301 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.544 8.817 -2.471 1.00 0.00 H new ATOM 830 N GLU A 55 -13.360 8.483 -4.650 1.00 0.00 N ATOM 831 CA GLU A 55 -14.542 7.710 -5.118 1.00 0.00 C ATOM 832 C GLU A 55 -15.673 7.942 -4.099 1.00 0.00 C ATOM 833 O GLU A 55 -15.349 7.904 -2.921 1.00 0.00 O ATOM 834 CB GLU A 55 -14.157 6.218 -5.192 1.00 0.00 C ATOM 835 CG GLU A 55 -13.216 5.974 -6.407 1.00 0.00 C ATOM 836 CD GLU A 55 -13.766 4.832 -7.280 1.00 0.00 C ATOM 837 OE1 GLU A 55 -14.601 5.147 -8.114 1.00 0.00 O ATOM 838 OE2 GLU A 55 -13.331 3.709 -7.076 1.00 0.00 O ATOM 839 OXT GLU A 55 -16.788 8.145 -4.548 1.00 0.00 O ATOM 0 H GLU A 55 -13.130 8.335 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.872 8.027 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.661 5.915 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.054 5.606 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.129 6.885 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.214 5.725 -6.057 1.00 0.00 H new TER 846 GLU A 55