USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot -87:sc= 0.814 USER MOD Set 1.2: A 69 THR OG1 : rot 35:sc= 1.56 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.0018) USER MOD Single : A 11 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.0032) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -8.7! C(o=-8.7!,f=-8.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.3!) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -10.4! C(o=-13!,f=-10!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.05 F(o=-2.8!,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 1.267 -18.291 -1.437 1.00 0.00 N ATOM 30 CA THR A 3 2.294 -18.318 -2.463 1.00 0.00 C ATOM 31 C THR A 3 3.256 -17.142 -2.287 1.00 0.00 C ATOM 32 O THR A 3 2.973 -16.211 -1.535 1.00 0.00 O ATOM 33 CB THR A 3 1.600 -18.335 -3.827 1.00 0.00 C ATOM 34 OG1 THR A 3 1.504 -19.719 -4.150 1.00 0.00 O ATOM 35 CG2 THR A 3 2.476 -17.752 -4.938 1.00 0.00 C ATOM 0 HA THR A 3 2.908 -19.215 -2.383 1.00 0.00 H new ATOM 0 HB THR A 3 0.669 -17.772 -3.767 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.064 -19.822 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.936 -17.788 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.724 -16.717 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.393 -18.335 -5.022 1.00 0.00 H new ATOM 43 N THR A 4 4.375 -17.222 -2.993 1.00 0.00 N ATOM 44 CA THR A 4 5.380 -16.175 -2.923 1.00 0.00 C ATOM 45 C THR A 4 5.911 -15.852 -4.321 1.00 0.00 C ATOM 46 O THR A 4 6.534 -16.697 -4.963 1.00 0.00 O ATOM 47 CB THR A 4 6.469 -16.630 -1.949 1.00 0.00 C ATOM 48 OG1 THR A 4 5.805 -17.553 -1.091 1.00 0.00 O ATOM 49 CG2 THR A 4 6.923 -15.509 -1.012 1.00 0.00 C ATOM 0 H THR A 4 4.607 -17.996 -3.616 1.00 0.00 H new ATOM 0 HA THR A 4 4.956 -15.244 -2.547 1.00 0.00 H new ATOM 0 HB THR A 4 7.326 -17.001 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.439 -17.899 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.696 -15.885 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.323 -14.683 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.074 -15.159 -0.425 1.00 0.00 H new ATOM 57 N ILE A 5 5.647 -14.628 -4.751 1.00 0.00 N ATOM 58 CA ILE A 5 6.090 -14.182 -6.061 1.00 0.00 C ATOM 59 C ILE A 5 7.313 -13.275 -5.900 1.00 0.00 C ATOM 60 O ILE A 5 7.511 -12.678 -4.844 1.00 0.00 O ATOM 61 CB ILE A 5 4.936 -13.530 -6.824 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.454 -12.474 -7.804 1.00 0.00 C ATOM 63 CG2 ILE A 5 3.896 -12.955 -5.860 1.00 0.00 C ATOM 64 CD1 ILE A 5 4.327 -11.956 -8.699 1.00 0.00 C ATOM 0 H ILE A 5 5.131 -13.930 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 5 6.401 -15.032 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 5 4.438 -14.300 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.894 -11.644 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.245 -12.902 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.087 -12.497 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.495 -13.755 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.365 -12.202 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.722 -11.207 -9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.905 -12.784 -9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.549 -11.507 -8.081 1.00 0.00 H new ATOM 75 N SER A 6 8.099 -13.201 -6.964 1.00 0.00 N ATOM 76 CA SER A 6 9.296 -12.377 -6.954 1.00 0.00 C ATOM 77 C SER A 6 8.980 -10.989 -7.514 1.00 0.00 C ATOM 78 O SER A 6 7.970 -10.804 -8.194 1.00 0.00 O ATOM 79 CB SER A 6 10.421 -13.030 -7.758 1.00 0.00 C ATOM 80 OG SER A 6 11.403 -13.627 -6.914 1.00 0.00 O ATOM 0 H SER A 6 7.930 -13.698 -7.839 1.00 0.00 H new ATOM 0 HA SER A 6 9.634 -12.278 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.001 -13.788 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.895 -12.281 -8.393 1.00 0.00 H new ATOM 0 HG SER A 6 12.104 -14.035 -7.465 1.00 0.00 H new ATOM 85 N PRO A 7 9.885 -10.022 -7.202 1.00 0.00 N ATOM 86 CA PRO A 7 9.712 -8.657 -7.666 1.00 0.00 C ATOM 87 C PRO A 7 10.048 -8.538 -9.154 1.00 0.00 C ATOM 88 O PRO A 7 11.218 -8.542 -9.532 1.00 0.00 O ATOM 89 CB PRO A 7 10.625 -7.822 -6.782 1.00 0.00 C ATOM 90 CG PRO A 7 11.619 -8.798 -6.171 1.00 0.00 C ATOM 91 CD PRO A 7 11.091 -10.204 -6.400 1.00 0.00 C ATOM 0 HA PRO A 7 8.681 -8.313 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.137 -7.055 -7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.056 -7.308 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.601 -8.680 -6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.739 -8.604 -5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.823 -10.822 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.867 -10.701 -5.456 1.00 0.00 H new ATOM 96 N HIS A 8 9.000 -8.436 -9.958 1.00 0.00 N ATOM 97 CA HIS A 8 9.170 -8.315 -11.396 1.00 0.00 C ATOM 98 C HIS A 8 7.869 -8.708 -12.101 1.00 0.00 C ATOM 99 O HIS A 8 7.404 -8.001 -12.993 1.00 0.00 O ATOM 100 CB HIS A 8 10.371 -9.134 -11.873 1.00 0.00 C ATOM 101 CG HIS A 8 10.251 -9.632 -13.293 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.273 -10.976 -13.620 1.00 0.00 N ATOM 103 CD2 HIS A 8 10.108 -8.952 -14.466 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.148 -11.088 -14.934 1.00 0.00 C ATOM 105 NE2 HIS A 8 10.046 -9.833 -15.457 1.00 0.00 N ATOM 0 H HIS A 8 8.030 -8.435 -9.641 1.00 0.00 H new ATOM 0 HA HIS A 8 9.385 -7.278 -11.654 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.270 -8.524 -11.788 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.501 -9.989 -11.209 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.054 -7.878 -14.571 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.130 -12.012 -15.493 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.940 -9.608 -16.446 1.00 0.00 H new ATOM 112 N ASP A 9 7.317 -9.833 -11.671 1.00 0.00 N ATOM 113 CA ASP A 9 6.080 -10.328 -12.250 1.00 0.00 C ATOM 114 C ASP A 9 4.892 -9.677 -11.536 1.00 0.00 C ATOM 115 O ASP A 9 3.815 -9.542 -12.113 1.00 0.00 O ATOM 116 CB ASP A 9 5.960 -11.844 -12.081 1.00 0.00 C ATOM 117 CG ASP A 9 6.238 -12.659 -13.345 1.00 0.00 C ATOM 118 OD1 ASP A 9 5.326 -12.942 -14.137 1.00 0.00 O ATOM 119 OD2 ASP A 9 7.468 -13.014 -13.505 1.00 0.00 O ATOM 0 H ASP A 9 7.704 -10.416 -10.929 1.00 0.00 H new ATOM 0 HA ASP A 9 6.083 -10.083 -13.312 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.652 -12.163 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.955 -12.077 -11.730 1.00 0.00 H new ATOM 124 N ALA A 10 5.131 -9.291 -10.291 1.00 0.00 N ATOM 125 CA ALA A 10 4.095 -8.658 -9.494 1.00 0.00 C ATOM 126 C ALA A 10 3.721 -7.315 -10.124 1.00 0.00 C ATOM 127 O ALA A 10 2.542 -6.987 -10.239 1.00 0.00 O ATOM 128 CB ALA A 10 4.581 -8.509 -8.050 1.00 0.00 C ATOM 0 H ALA A 10 6.026 -9.404 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 10 3.196 -9.274 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.804 -8.034 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.805 -9.493 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.481 -7.894 -8.031 1.00 0.00 H new ATOM 134 N GLN A 11 4.749 -6.574 -10.513 1.00 0.00 N ATOM 135 CA GLN A 11 4.542 -5.274 -11.129 1.00 0.00 C ATOM 136 C GLN A 11 3.514 -5.377 -12.258 1.00 0.00 C ATOM 137 O GLN A 11 2.891 -4.384 -12.628 1.00 0.00 O ATOM 138 CB GLN A 11 5.862 -4.693 -11.640 1.00 0.00 C ATOM 139 CG GLN A 11 5.668 -3.270 -12.166 1.00 0.00 C ATOM 140 CD GLN A 11 6.384 -3.078 -13.505 1.00 0.00 C ATOM 141 OE1 GLN A 11 7.565 -3.347 -13.652 1.00 0.00 O ATOM 142 NE2 GLN A 11 5.605 -2.598 -14.471 1.00 0.00 N ATOM 0 H GLN A 11 5.726 -6.849 -10.414 1.00 0.00 H new ATOM 0 HA GLN A 11 4.152 -4.594 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.598 -4.690 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.259 -5.327 -12.433 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.604 -3.065 -12.286 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.051 -2.554 -11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.624 -2.394 -14.281 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.989 -2.434 -15.402 1.00 0.00 H new ATOM 149 N GLU A 12 3.370 -6.590 -12.774 1.00 0.00 N ATOM 150 CA GLU A 12 2.430 -6.836 -13.853 1.00 0.00 C ATOM 151 C GLU A 12 1.021 -7.044 -13.292 1.00 0.00 C ATOM 152 O GLU A 12 0.145 -6.200 -13.476 1.00 0.00 O ATOM 153 CB GLU A 12 2.866 -8.035 -14.697 1.00 0.00 C ATOM 154 CG GLU A 12 3.020 -7.643 -16.168 1.00 0.00 C ATOM 155 CD GLU A 12 2.432 -8.716 -17.087 1.00 0.00 C ATOM 156 OE1 GLU A 12 1.678 -9.584 -16.623 1.00 0.00 O ATOM 157 OE2 GLU A 12 2.785 -8.627 -18.324 1.00 0.00 O ATOM 0 H GLU A 12 3.889 -7.412 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 12 2.416 -5.961 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.811 -8.425 -14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.132 -8.835 -14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.520 -6.691 -16.348 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.075 -7.498 -16.401 1.00 0.00 H new ATOM 163 N LEU A 13 0.846 -8.172 -12.619 1.00 0.00 N ATOM 164 CA LEU A 13 -0.440 -8.501 -12.030 1.00 0.00 C ATOM 165 C LEU A 13 -1.018 -7.258 -11.349 1.00 0.00 C ATOM 166 O LEU A 13 -2.191 -6.937 -11.528 1.00 0.00 O ATOM 167 CB LEU A 13 -0.310 -9.707 -11.098 1.00 0.00 C ATOM 168 CG LEU A 13 0.803 -9.629 -10.051 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.268 -9.095 -8.721 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.498 -10.982 -9.887 1.00 0.00 C ATOM 0 H LEU A 13 1.575 -8.870 -12.469 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.147 -8.800 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.259 -9.845 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.147 -10.596 -11.707 1.00 0.00 H new ATOM 0 HG LEU A 13 1.554 -8.922 -10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.079 -9.050 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.143 -8.096 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.514 -9.758 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.285 -10.898 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.771 -11.728 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.935 -11.284 -10.839 1.00 0.00 H new ATOM 181 N ILE A 14 -0.166 -6.592 -10.584 1.00 0.00 N ATOM 182 CA ILE A 14 -0.577 -5.392 -9.876 1.00 0.00 C ATOM 183 C ILE A 14 -1.199 -4.407 -10.868 1.00 0.00 C ATOM 184 O ILE A 14 -2.177 -3.732 -10.549 1.00 0.00 O ATOM 185 CB ILE A 14 0.595 -4.808 -9.085 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.419 -5.052 -7.584 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.790 -3.325 -9.405 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.757 -5.386 -6.922 1.00 0.00 C ATOM 0 H ILE A 14 0.807 -6.861 -10.439 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.343 -5.630 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 14 1.504 -5.325 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.011 -4.167 -7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.284 -5.870 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.629 -2.936 -8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.994 -3.206 -10.469 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.114 -2.775 -9.145 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.604 -5.555 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.173 -6.286 -7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.449 -4.556 -7.062 1.00 0.00 H new ATOM 199 N ALA A 15 -0.607 -4.356 -12.053 1.00 0.00 N ATOM 200 CA ALA A 15 -1.090 -3.466 -13.094 1.00 0.00 C ATOM 201 C ALA A 15 -2.201 -4.165 -13.881 1.00 0.00 C ATOM 202 O ALA A 15 -2.622 -3.680 -14.931 1.00 0.00 O ATOM 203 CB ALA A 15 0.078 -3.041 -13.986 1.00 0.00 C ATOM 0 H ALA A 15 0.203 -4.917 -12.315 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.513 -2.561 -12.659 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.285 -2.373 -14.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.826 -2.524 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.527 -3.923 -14.443 1.00 0.00 H new ATOM 209 N ARG A 16 -2.643 -5.292 -13.345 1.00 0.00 N ATOM 210 CA ARG A 16 -3.696 -6.063 -13.985 1.00 0.00 C ATOM 211 C ARG A 16 -4.972 -6.019 -13.142 1.00 0.00 C ATOM 212 O ARG A 16 -6.077 -6.001 -13.682 1.00 0.00 O ATOM 213 CB ARG A 16 -3.272 -7.520 -14.179 1.00 0.00 C ATOM 214 CG ARG A 16 -2.016 -7.614 -15.048 1.00 0.00 C ATOM 215 CD ARG A 16 -2.381 -7.682 -16.533 1.00 0.00 C ATOM 216 NE ARG A 16 -1.171 -7.961 -17.338 1.00 0.00 N ATOM 217 CZ ARG A 16 -1.044 -7.648 -18.645 1.00 0.00 C ATOM 218 NH1 ARG A 16 -2.053 -7.041 -19.306 1.00 0.00 N ATOM 219 NH2 ARG A 16 0.082 -7.943 -19.268 1.00 0.00 N ATOM 0 H ARG A 16 -2.292 -5.691 -12.474 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.885 -5.619 -14.962 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.083 -7.980 -13.209 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.083 -8.080 -14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.378 -6.749 -14.866 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.442 -8.498 -14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.125 -8.461 -16.698 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.830 -6.740 -16.849 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.384 -8.418 -16.877 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.920 -6.815 -18.818 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.948 -6.808 -20.294 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.840 -8.401 -18.762 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.194 -7.713 -20.255 1.00 0.00 H new ATOM 229 N GLY A 17 -4.777 -6.003 -11.831 1.00 0.00 N ATOM 230 CA GLY A 17 -5.899 -5.961 -10.908 1.00 0.00 C ATOM 231 C GLY A 17 -5.499 -6.499 -9.533 1.00 0.00 C ATOM 232 O GLY A 17 -6.116 -6.158 -8.525 1.00 0.00 O ATOM 0 H GLY A 17 -3.859 -6.018 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.257 -4.936 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.725 -6.550 -11.307 1.00 0.00 H new ATOM 236 N ALA A 18 -4.467 -7.330 -9.536 1.00 0.00 N ATOM 237 CA ALA A 18 -3.976 -7.917 -8.300 1.00 0.00 C ATOM 238 C ALA A 18 -4.044 -6.875 -7.183 1.00 0.00 C ATOM 239 O ALA A 18 -3.311 -5.887 -7.205 1.00 0.00 O ATOM 240 CB ALA A 18 -2.558 -8.450 -8.517 1.00 0.00 C ATOM 0 H ALA A 18 -3.957 -7.611 -10.374 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.599 -8.760 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.189 -8.890 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.570 -9.209 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.903 -7.631 -8.815 1.00 0.00 H new ATOM 246 N LYS A 19 -4.929 -7.131 -6.232 1.00 0.00 N ATOM 247 CA LYS A 19 -5.103 -6.227 -5.107 1.00 0.00 C ATOM 248 C LYS A 19 -4.096 -6.585 -4.012 1.00 0.00 C ATOM 249 O LYS A 19 -4.208 -7.632 -3.378 1.00 0.00 O ATOM 250 CB LYS A 19 -6.557 -6.236 -4.632 1.00 0.00 C ATOM 251 CG LYS A 19 -7.394 -5.219 -5.411 1.00 0.00 C ATOM 252 CD LYS A 19 -7.180 -3.803 -4.871 1.00 0.00 C ATOM 253 CE LYS A 19 -6.026 -3.109 -5.596 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.279 -1.654 -5.700 1.00 0.00 N ATOM 0 H LYS A 19 -5.534 -7.952 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.897 -5.200 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.979 -7.233 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.597 -6.006 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.125 -5.254 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.449 -5.483 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.094 -3.221 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.970 -3.845 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.094 -3.284 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.906 -3.535 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.486 -1.198 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.158 -1.492 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.371 -1.249 -4.747 1.00 0.00 H new ATOM 263 N LEU A 20 -3.134 -5.692 -3.823 1.00 0.00 N ATOM 264 CA LEU A 20 -2.108 -5.901 -2.815 1.00 0.00 C ATOM 265 C LEU A 20 -2.557 -5.264 -1.498 1.00 0.00 C ATOM 266 O LEU A 20 -3.275 -4.266 -1.501 1.00 0.00 O ATOM 267 CB LEU A 20 -0.755 -5.392 -3.315 1.00 0.00 C ATOM 268 CG LEU A 20 0.226 -4.923 -2.238 1.00 0.00 C ATOM 269 CD1 LEU A 20 1.665 -4.961 -2.753 1.00 0.00 C ATOM 270 CD2 LEU A 20 -0.160 -3.538 -1.713 1.00 0.00 C ATOM 0 H LEU A 20 -3.044 -4.824 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.971 -6.965 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.280 -6.187 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.932 -4.565 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 20 0.168 -5.614 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.341 -4.623 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.922 -5.981 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.759 -4.306 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.552 -3.227 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.147 -2.821 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.160 -3.578 -1.282 1.00 0.00 H new ATOM 281 N ILE A 21 -2.113 -5.867 -0.405 1.00 0.00 N ATOM 282 CA ILE A 21 -2.460 -5.371 0.916 1.00 0.00 C ATOM 283 C ILE A 21 -1.188 -5.240 1.757 1.00 0.00 C ATOM 284 O ILE A 21 -0.270 -6.050 1.632 1.00 0.00 O ATOM 285 CB ILE A 21 -3.530 -6.255 1.556 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.610 -6.633 0.540 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.123 -5.587 2.799 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.337 -5.389 0.024 1.00 0.00 C ATOM 0 H ILE A 21 -1.516 -6.694 -0.407 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.901 -4.377 0.846 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.056 -7.181 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.157 -7.167 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.327 -7.312 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.882 -6.237 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.333 -5.411 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.577 -4.636 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.099 -5.686 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.809 -4.871 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.621 -4.723 -0.458 1.00 0.00 H new ATOM 299 N ASP A 22 -1.172 -4.213 2.594 1.00 0.00 N ATOM 300 CA ASP A 22 -0.028 -3.966 3.455 1.00 0.00 C ATOM 301 C ASP A 22 -0.421 -4.237 4.908 1.00 0.00 C ATOM 302 O ASP A 22 -0.878 -3.336 5.610 1.00 0.00 O ATOM 303 CB ASP A 22 0.432 -2.510 3.353 1.00 0.00 C ATOM 304 CG ASP A 22 -0.171 -1.721 2.190 1.00 0.00 C ATOM 305 OD1 ASP A 22 -1.368 -1.842 1.888 1.00 0.00 O ATOM 306 OD2 ASP A 22 0.653 -0.944 1.573 1.00 0.00 O ATOM 0 H ASP A 22 -1.934 -3.542 2.694 1.00 0.00 H new ATOM 0 HA ASP A 22 0.782 -4.624 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.185 -2.001 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.518 -2.494 3.259 1.00 0.00 H new ATOM 311 N ILE A 23 -0.229 -5.482 5.317 1.00 0.00 N ATOM 312 CA ILE A 23 -0.558 -5.883 6.675 1.00 0.00 C ATOM 313 C ILE A 23 0.579 -5.472 7.613 1.00 0.00 C ATOM 314 O ILE A 23 1.189 -6.320 8.263 1.00 0.00 O ATOM 315 CB ILE A 23 -0.889 -7.376 6.726 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.349 -8.223 6.422 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.056 -7.712 5.796 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.729 -9.089 7.625 1.00 0.00 C ATOM 0 H ILE A 23 0.150 -6.227 4.732 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.456 -5.369 7.018 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.206 -7.621 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.156 -8.859 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.183 -7.573 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.270 -8.779 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.938 -7.149 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.793 -7.448 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.612 -9.681 7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.945 -8.449 8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.098 -9.755 7.870 1.00 0.00 H new ATOM 329 N ARG A 24 0.829 -4.172 7.652 1.00 0.00 N ATOM 330 CA ARG A 24 1.882 -3.638 8.500 1.00 0.00 C ATOM 331 C ARG A 24 1.323 -2.549 9.418 1.00 0.00 C ATOM 332 O ARG A 24 0.863 -2.838 10.522 1.00 0.00 O ATOM 333 CB ARG A 24 3.021 -3.054 7.661 1.00 0.00 C ATOM 334 CG ARG A 24 2.555 -2.754 6.235 1.00 0.00 C ATOM 335 CD ARG A 24 3.525 -1.807 5.529 1.00 0.00 C ATOM 336 NE ARG A 24 2.800 -0.616 5.032 1.00 0.00 N ATOM 337 CZ ARG A 24 3.184 0.112 3.962 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.290 -0.224 3.266 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.460 1.157 3.605 1.00 0.00 N ATOM 0 H ARG A 24 0.321 -3.472 7.111 1.00 0.00 H new ATOM 0 HA ARG A 24 2.273 -4.459 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.389 -2.140 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.855 -3.756 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.474 -3.684 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.560 -2.309 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.313 -1.502 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.008 -2.321 4.698 1.00 0.00 H new ATOM 0 HE ARG A 24 1.957 -0.327 5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.843 -1.034 3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.573 0.332 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.624 1.404 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.736 1.718 2.799 1.00 0.00 H new ATOM 349 N ASP A 25 1.381 -1.319 8.927 1.00 0.00 N ATOM 350 CA ASP A 25 0.887 -0.186 9.690 1.00 0.00 C ATOM 351 C ASP A 25 0.423 0.908 8.727 1.00 0.00 C ATOM 352 O ASP A 25 0.362 0.690 7.518 1.00 0.00 O ATOM 353 CB ASP A 25 1.985 0.402 10.580 1.00 0.00 C ATOM 354 CG ASP A 25 1.797 0.169 12.079 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.576 -0.556 12.716 1.00 0.00 O ATOM 356 OD2 ASP A 25 0.786 0.776 12.602 1.00 0.00 O ATOM 0 H ASP A 25 1.762 -1.083 8.011 1.00 0.00 H new ATOM 0 HA ASP A 25 0.065 -0.534 10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.942 -0.024 10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.042 1.475 10.399 1.00 0.00 H new ATOM 361 N ALA A 26 0.108 2.061 9.299 1.00 0.00 N ATOM 362 CA ALA A 26 -0.349 3.190 8.505 1.00 0.00 C ATOM 363 C ALA A 26 0.799 4.187 8.337 1.00 0.00 C ATOM 364 O ALA A 26 0.901 4.854 7.308 1.00 0.00 O ATOM 365 CB ALA A 26 -1.574 3.819 9.171 1.00 0.00 C ATOM 0 H ALA A 26 0.160 2.238 10.302 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.650 2.863 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.917 4.666 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.371 3.078 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.309 4.162 10.171 1.00 0.00 H new ATOM 371 N ASP A 27 1.635 4.258 9.362 1.00 0.00 N ATOM 372 CA ASP A 27 2.772 5.162 9.341 1.00 0.00 C ATOM 373 C ASP A 27 3.665 4.824 8.145 1.00 0.00 C ATOM 374 O ASP A 27 4.271 5.712 7.548 1.00 0.00 O ATOM 375 CB ASP A 27 3.612 5.022 10.613 1.00 0.00 C ATOM 376 CG ASP A 27 3.387 6.115 11.660 1.00 0.00 C ATOM 377 OD1 ASP A 27 2.451 6.922 11.550 1.00 0.00 O ATOM 378 OD2 ASP A 27 4.233 6.119 12.633 1.00 0.00 O ATOM 0 H ASP A 27 1.547 3.703 10.214 1.00 0.00 H new ATOM 0 HA ASP A 27 2.391 6.181 9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.397 4.055 11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.666 5.017 10.336 1.00 0.00 H new ATOM 383 N GLU A 28 3.717 3.537 7.831 1.00 0.00 N ATOM 384 CA GLU A 28 4.525 3.071 6.718 1.00 0.00 C ATOM 385 C GLU A 28 3.993 3.638 5.401 1.00 0.00 C ATOM 386 O GLU A 28 4.768 4.036 4.533 1.00 0.00 O ATOM 387 CB GLU A 28 4.572 1.542 6.678 1.00 0.00 C ATOM 388 CG GLU A 28 4.712 0.960 8.085 1.00 0.00 C ATOM 389 CD GLU A 28 5.410 -0.401 8.049 1.00 0.00 C ATOM 390 OE1 GLU A 28 5.239 -1.210 8.974 1.00 0.00 O ATOM 391 OE2 GLU A 28 6.151 -0.606 7.014 1.00 0.00 O ATOM 0 H GLU A 28 3.212 2.803 8.328 1.00 0.00 H new ATOM 0 HA GLU A 28 5.545 3.430 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.665 1.159 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.410 1.217 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.280 1.647 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.726 0.855 8.539 1.00 0.00 H new ATOM 397 N TYR A 29 2.672 3.658 5.293 1.00 0.00 N ATOM 398 CA TYR A 29 2.026 4.169 4.096 1.00 0.00 C ATOM 399 C TYR A 29 2.307 5.663 3.918 1.00 0.00 C ATOM 400 O TYR A 29 2.012 6.233 2.869 1.00 0.00 O ATOM 401 CB TYR A 29 0.524 3.966 4.308 1.00 0.00 C ATOM 402 CG TYR A 29 -0.351 4.954 3.535 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.464 6.260 3.967 1.00 0.00 C ATOM 404 CD2 TYR A 29 -1.030 4.539 2.407 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.289 7.190 3.239 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.855 5.468 1.680 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.944 6.748 2.132 1.00 0.00 C ATOM 408 OH TYR A 29 -2.722 7.626 1.446 1.00 0.00 O ATOM 0 H TYR A 29 2.032 3.328 6.015 1.00 0.00 H new ATOM 0 HA TYR A 29 2.396 3.654 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.259 2.951 4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.302 4.054 5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.066 6.585 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.942 3.517 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.385 8.215 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.391 5.156 0.796 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.128 7.173 0.678 1.00 0.00 H new ATOM 417 N LEU A 30 2.873 6.254 4.961 1.00 0.00 N ATOM 418 CA LEU A 30 3.196 7.671 4.932 1.00 0.00 C ATOM 419 C LEU A 30 4.577 7.862 4.301 1.00 0.00 C ATOM 420 O LEU A 30 4.684 8.210 3.127 1.00 0.00 O ATOM 421 CB LEU A 30 3.070 8.277 6.332 1.00 0.00 C ATOM 422 CG LEU A 30 2.058 9.415 6.480 1.00 0.00 C ATOM 423 CD1 LEU A 30 2.549 10.681 5.774 1.00 0.00 C ATOM 424 CD2 LEU A 30 0.674 8.986 5.990 1.00 0.00 C ATOM 0 H LEU A 30 3.116 5.778 5.830 1.00 0.00 H new ATOM 0 HA LEU A 30 2.483 8.212 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.798 7.483 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.049 8.646 6.636 1.00 0.00 H new ATOM 0 HG LEU A 30 1.965 9.653 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.811 11.474 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.496 10.997 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.690 10.475 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.026 9.813 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.731 8.705 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.329 8.134 6.575 1.00 0.00 H new ATOM 435 N ARG A 31 5.600 7.626 5.111 1.00 0.00 N ATOM 436 CA ARG A 31 6.968 7.767 4.647 1.00 0.00 C ATOM 437 C ARG A 31 7.169 6.998 3.340 1.00 0.00 C ATOM 438 O ARG A 31 8.021 7.357 2.528 1.00 0.00 O ATOM 439 CB ARG A 31 7.961 7.251 5.691 1.00 0.00 C ATOM 440 CG ARG A 31 7.527 5.888 6.233 1.00 0.00 C ATOM 441 CD ARG A 31 8.451 4.778 5.728 1.00 0.00 C ATOM 442 NE ARG A 31 9.160 4.152 6.866 1.00 0.00 N ATOM 443 CZ ARG A 31 10.326 4.608 7.374 1.00 0.00 C ATOM 444 NH1 ARG A 31 10.924 5.697 6.847 1.00 0.00 N ATOM 445 NH2 ARG A 31 10.872 3.971 8.394 1.00 0.00 N ATOM 0 H ARG A 31 5.507 7.338 6.085 1.00 0.00 H new ATOM 0 HA ARG A 31 7.152 8.828 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.953 7.171 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.036 7.965 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.536 5.906 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.502 5.680 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.871 4.026 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.172 5.188 5.021 1.00 0.00 H new ATOM 0 HE ARG A 31 8.743 3.325 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.496 6.183 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.804 6.034 7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.414 3.148 8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.752 4.302 8.790 1.00 0.00 H new ATOM 455 N GLU A 32 6.370 5.953 3.177 1.00 0.00 N ATOM 456 CA GLU A 32 6.449 5.130 1.982 1.00 0.00 C ATOM 457 C GLU A 32 5.090 4.490 1.688 1.00 0.00 C ATOM 458 O GLU A 32 4.103 4.785 2.359 1.00 0.00 O ATOM 459 CB GLU A 32 7.538 4.065 2.121 1.00 0.00 C ATOM 460 CG GLU A 32 8.895 4.606 1.666 1.00 0.00 C ATOM 461 CD GLU A 32 9.850 3.464 1.314 1.00 0.00 C ATOM 462 OE1 GLU A 32 9.683 2.340 1.810 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.794 3.776 0.492 1.00 0.00 O ATOM 0 H GLU A 32 5.665 5.658 3.853 1.00 0.00 H new ATOM 0 HA GLU A 32 6.718 5.769 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.602 3.739 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.274 3.190 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.761 5.253 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.330 5.218 2.456 1.00 0.00 H new ATOM 469 N HIS A 33 5.084 3.626 0.685 1.00 0.00 N ATOM 470 CA HIS A 33 3.864 2.942 0.293 1.00 0.00 C ATOM 471 C HIS A 33 4.207 1.564 -0.279 1.00 0.00 C ATOM 472 O HIS A 33 4.780 0.725 0.415 1.00 0.00 O ATOM 473 CB HIS A 33 3.047 3.798 -0.675 1.00 0.00 C ATOM 474 CG HIS A 33 1.680 3.238 -0.988 1.00 0.00 C ATOM 475 ND1 HIS A 33 0.734 2.978 -0.011 1.00 0.00 N ATOM 476 CD2 HIS A 33 1.109 2.892 -2.178 1.00 0.00 C ATOM 477 CE1 HIS A 33 -0.351 2.496 -0.598 1.00 0.00 C ATOM 478 NE2 HIS A 33 -0.117 2.443 -1.941 1.00 0.00 N ATOM 0 H HIS A 33 5.905 3.383 0.131 1.00 0.00 H new ATOM 0 HA HIS A 33 3.234 2.787 1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.931 4.796 -0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.604 3.909 -1.605 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.853 3.132 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.576 2.970 -3.149 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.262 2.197 -0.100 1.00 0.00 H new ATOM 485 N ILE A 34 3.844 1.375 -1.538 1.00 0.00 N ATOM 486 CA ILE A 34 4.107 0.115 -2.212 1.00 0.00 C ATOM 487 C ILE A 34 3.479 0.146 -3.606 1.00 0.00 C ATOM 488 O ILE A 34 2.695 1.041 -3.918 1.00 0.00 O ATOM 489 CB ILE A 34 3.637 -1.060 -1.352 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.782 -2.042 -1.093 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.423 -1.747 -1.980 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.272 -3.485 -1.073 1.00 0.00 C ATOM 0 H ILE A 34 3.369 2.074 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 34 5.179 -0.028 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 34 3.322 -0.671 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.542 -1.932 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.259 -1.808 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.109 -2.579 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.606 -1.031 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.688 -2.122 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.105 -4.163 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.530 -3.598 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.818 -3.724 -2.035 1.00 0.00 H new ATOM 503 N PRO A 35 3.855 -0.868 -4.430 1.00 0.00 N ATOM 504 CA PRO A 35 3.338 -0.966 -5.784 1.00 0.00 C ATOM 505 C PRO A 35 1.890 -1.459 -5.783 1.00 0.00 C ATOM 506 O PRO A 35 1.640 -2.663 -5.815 1.00 0.00 O ATOM 507 CB PRO A 35 4.287 -1.913 -6.501 1.00 0.00 C ATOM 508 CG PRO A 35 5.025 -2.670 -5.409 1.00 0.00 C ATOM 509 CD PRO A 35 4.782 -1.947 -4.095 1.00 0.00 C ATOM 0 HA PRO A 35 3.301 -0.002 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.740 -2.597 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.983 -1.363 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.669 -3.699 -5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.092 -2.714 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.356 -2.617 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.711 -1.556 -3.681 1.00 0.00 H new ATOM 514 N GLU A 36 0.973 -0.503 -5.747 1.00 0.00 N ATOM 515 CA GLU A 36 -0.444 -0.824 -5.742 1.00 0.00 C ATOM 516 C GLU A 36 -0.878 -1.286 -4.349 1.00 0.00 C ATOM 517 O GLU A 36 -0.990 -2.485 -4.096 1.00 0.00 O ATOM 518 CB GLU A 36 -0.769 -1.883 -6.797 1.00 0.00 C ATOM 519 CG GLU A 36 -1.768 -1.344 -7.824 1.00 0.00 C ATOM 520 CD GLU A 36 -1.066 -0.467 -8.862 1.00 0.00 C ATOM 521 OE1 GLU A 36 -0.312 0.447 -8.494 1.00 0.00 O ATOM 522 OE2 GLU A 36 -1.326 -0.761 -10.091 1.00 0.00 O ATOM 0 H GLU A 36 1.184 0.495 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.003 0.077 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.146 -2.192 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.181 -2.769 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.267 -2.175 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.541 -0.766 -7.317 1.00 0.00 H new ATOM 528 N ALA A 37 -1.110 -0.312 -3.483 1.00 0.00 N ATOM 529 CA ALA A 37 -1.530 -0.602 -2.123 1.00 0.00 C ATOM 530 C ALA A 37 -2.740 0.264 -1.770 1.00 0.00 C ATOM 531 O ALA A 37 -2.919 1.344 -2.332 1.00 0.00 O ATOM 532 CB ALA A 37 -0.356 -0.380 -1.167 1.00 0.00 C ATOM 0 H ALA A 37 -1.015 0.681 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.833 -1.645 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.672 -0.598 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.466 -1.041 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.026 0.657 -1.231 1.00 0.00 H new ATOM 538 N ASP A 38 -3.539 -0.241 -0.842 1.00 0.00 N ATOM 539 CA ASP A 38 -4.728 0.473 -0.407 1.00 0.00 C ATOM 540 C ASP A 38 -4.690 0.640 1.113 1.00 0.00 C ATOM 541 O ASP A 38 -5.671 1.068 1.718 1.00 0.00 O ATOM 542 CB ASP A 38 -5.998 -0.299 -0.767 1.00 0.00 C ATOM 543 CG ASP A 38 -7.034 0.495 -1.564 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.211 0.282 -2.772 1.00 0.00 O ATOM 545 OD2 ASP A 38 -7.686 1.375 -0.883 1.00 0.00 O ATOM 0 H ASP A 38 -3.387 -1.137 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.741 1.441 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.718 -1.181 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.463 -0.653 0.153 1.00 0.00 H new ATOM 550 N LEU A 39 -3.547 0.294 1.686 1.00 0.00 N ATOM 551 CA LEU A 39 -3.368 0.399 3.125 1.00 0.00 C ATOM 552 C LEU A 39 -4.319 -0.575 3.824 1.00 0.00 C ATOM 553 O LEU A 39 -5.534 -0.491 3.657 1.00 0.00 O ATOM 554 CB LEU A 39 -3.532 1.850 3.579 1.00 0.00 C ATOM 555 CG LEU A 39 -3.196 2.136 5.044 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.108 1.188 5.553 1.00 0.00 C ATOM 557 CD2 LEU A 39 -2.816 3.605 5.245 1.00 0.00 C ATOM 0 H LEU A 39 -2.735 -0.060 1.180 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.354 0.113 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.900 2.480 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.563 2.152 3.398 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.090 1.951 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.888 1.413 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.455 0.158 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.205 1.317 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.582 3.780 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.944 3.842 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.650 4.241 4.948 1.00 0.00 H new ATOM 568 N ALA A 40 -3.728 -1.477 4.595 1.00 0.00 N ATOM 569 CA ALA A 40 -4.507 -2.466 5.322 1.00 0.00 C ATOM 570 C ALA A 40 -3.585 -3.241 6.264 1.00 0.00 C ATOM 571 O ALA A 40 -3.146 -4.344 5.941 1.00 0.00 O ATOM 572 CB ALA A 40 -5.227 -3.378 4.328 1.00 0.00 C ATOM 0 H ALA A 40 -2.719 -1.544 4.732 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.270 -1.983 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.811 -4.120 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.891 -2.782 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.493 -3.883 3.700 1.00 0.00 H new ATOM 578 N PRO A 41 -3.312 -2.619 7.443 1.00 0.00 N ATOM 579 CA PRO A 41 -2.451 -3.240 8.435 1.00 0.00 C ATOM 580 C PRO A 41 -3.179 -4.373 9.161 1.00 0.00 C ATOM 581 O PRO A 41 -4.375 -4.275 9.431 1.00 0.00 O ATOM 582 CB PRO A 41 -2.039 -2.108 9.362 1.00 0.00 C ATOM 583 CG PRO A 41 -3.047 -0.994 9.133 1.00 0.00 C ATOM 584 CD PRO A 41 -3.814 -1.314 7.860 1.00 0.00 C ATOM 0 HA PRO A 41 -1.575 -3.714 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.046 -2.433 10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.027 -1.770 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.729 -0.916 9.980 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.540 -0.033 9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.888 -1.343 8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.640 -0.559 7.093 1.00 0.00 H new ATOM 589 N LEU A 42 -2.426 -5.422 9.458 1.00 0.00 N ATOM 590 CA LEU A 42 -2.985 -6.572 10.149 1.00 0.00 C ATOM 591 C LEU A 42 -3.828 -6.091 11.332 1.00 0.00 C ATOM 592 O LEU A 42 -4.813 -6.733 11.698 1.00 0.00 O ATOM 593 CB LEU A 42 -1.877 -7.551 10.541 1.00 0.00 C ATOM 594 CG LEU A 42 -2.324 -8.982 10.848 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.961 -9.633 9.617 1.00 0.00 C ATOM 596 CD2 LEU A 42 -1.165 -9.814 11.399 1.00 0.00 C ATOM 0 H LEU A 42 -1.434 -5.500 9.233 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.651 -7.127 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.147 -7.585 9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.364 -7.156 11.418 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.088 -8.941 11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.270 -10.649 9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.831 -9.054 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.236 -9.660 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.511 -10.826 11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.361 -9.850 10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.796 -9.359 12.318 1.00 0.00 H new ATOM 607 N SER A 43 -3.412 -4.967 11.896 1.00 0.00 N ATOM 608 CA SER A 43 -4.115 -4.394 13.030 1.00 0.00 C ATOM 609 C SER A 43 -5.603 -4.246 12.702 1.00 0.00 C ATOM 610 O SER A 43 -6.451 -4.346 13.587 1.00 0.00 O ATOM 611 CB SER A 43 -3.521 -3.039 13.420 1.00 0.00 C ATOM 612 OG SER A 43 -2.746 -3.121 14.613 1.00 0.00 O ATOM 0 H SER A 43 -2.596 -4.438 11.588 1.00 0.00 H new ATOM 0 HA SER A 43 -4.001 -5.068 13.879 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.897 -2.669 12.607 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.325 -2.317 13.559 1.00 0.00 H new ATOM 0 HG SER A 43 -2.382 -2.237 14.828 1.00 0.00 H new ATOM 617 N VAL A 44 -5.873 -4.009 11.426 1.00 0.00 N ATOM 618 CA VAL A 44 -7.243 -3.846 10.970 1.00 0.00 C ATOM 619 C VAL A 44 -7.808 -5.210 10.566 1.00 0.00 C ATOM 620 O VAL A 44 -8.914 -5.570 10.963 1.00 0.00 O ATOM 621 CB VAL A 44 -7.299 -2.817 9.839 1.00 0.00 C ATOM 622 CG1 VAL A 44 -6.203 -1.762 10.003 1.00 0.00 C ATOM 623 CG2 VAL A 44 -7.205 -3.499 8.472 1.00 0.00 C ATOM 0 H VAL A 44 -5.167 -3.926 10.695 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.870 -3.460 11.774 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.262 -2.310 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.265 -1.043 9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.335 -1.244 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.227 -2.246 9.987 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.247 -2.745 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.264 -4.045 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.037 -4.193 8.354 1.00 0.00 H new ATOM 633 N LEU A 45 -7.021 -5.930 9.780 1.00 0.00 N ATOM 634 CA LEU A 45 -7.428 -7.247 9.318 1.00 0.00 C ATOM 635 C LEU A 45 -8.165 -7.973 10.445 1.00 0.00 C ATOM 636 O LEU A 45 -9.279 -8.457 10.251 1.00 0.00 O ATOM 637 CB LEU A 45 -6.226 -8.018 8.771 1.00 0.00 C ATOM 638 CG LEU A 45 -5.720 -7.585 7.394 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.407 -8.381 6.282 1.00 0.00 C ATOM 640 CD2 LEU A 45 -5.880 -6.075 7.200 1.00 0.00 C ATOM 0 H LEU A 45 -6.104 -5.627 9.451 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.126 -7.160 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.406 -7.925 9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.489 -9.075 8.723 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.654 -7.806 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.029 -8.054 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.199 -9.443 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.483 -8.214 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.513 -5.794 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.933 -5.807 7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.308 -5.547 7.964 1.00 0.00 H new ATOM 651 N GLU A 46 -7.513 -8.026 11.597 1.00 0.00 N ATOM 652 CA GLU A 46 -8.093 -8.685 12.755 1.00 0.00 C ATOM 653 C GLU A 46 -9.331 -7.925 13.234 1.00 0.00 C ATOM 654 O GLU A 46 -10.334 -8.535 13.605 1.00 0.00 O ATOM 655 CB GLU A 46 -7.064 -8.821 13.880 1.00 0.00 C ATOM 656 CG GLU A 46 -6.472 -10.231 13.913 1.00 0.00 C ATOM 657 CD GLU A 46 -6.827 -10.944 15.220 1.00 0.00 C ATOM 658 OE1 GLU A 46 -7.940 -11.474 15.354 1.00 0.00 O ATOM 659 OE2 GLU A 46 -5.899 -10.936 16.115 1.00 0.00 O ATOM 0 H GLU A 46 -6.589 -7.624 11.753 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.399 -9.689 12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.267 -8.091 13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.535 -8.598 14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.847 -10.807 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.389 -10.177 13.807 1.00 0.00 H new ATOM 665 N GLN A 47 -9.223 -6.604 13.210 1.00 0.00 N ATOM 666 CA GLN A 47 -10.322 -5.756 13.636 1.00 0.00 C ATOM 667 C GLN A 47 -11.538 -5.966 12.732 1.00 0.00 C ATOM 668 O GLN A 47 -12.677 -5.858 13.182 1.00 0.00 O ATOM 669 CB GLN A 47 -9.902 -4.284 13.658 1.00 0.00 C ATOM 670 CG GLN A 47 -10.311 -3.615 14.971 1.00 0.00 C ATOM 671 CD GLN A 47 -10.530 -2.114 14.777 1.00 0.00 C ATOM 672 OE1 GLN A 47 -9.603 -1.322 14.758 1.00 0.00 O ATOM 673 NE2 GLN A 47 -11.806 -1.768 14.633 1.00 0.00 N ATOM 0 H GLN A 47 -8.391 -6.101 12.902 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.598 -6.037 14.652 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.822 -4.209 13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.361 -3.759 12.820 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.225 -4.074 15.348 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.539 -3.779 15.723 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.534 -2.482 14.659 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.057 -0.789 14.497 1.00 0.00 H new ATOM 680 N SER A 48 -11.254 -6.263 11.472 1.00 0.00 N ATOM 681 CA SER A 48 -12.310 -6.489 10.501 1.00 0.00 C ATOM 682 C SER A 48 -11.920 -7.631 9.559 1.00 0.00 C ATOM 683 O SER A 48 -12.514 -8.707 9.605 1.00 0.00 O ATOM 684 CB SER A 48 -12.604 -5.219 9.700 1.00 0.00 C ATOM 685 OG SER A 48 -13.938 -4.760 9.898 1.00 0.00 O ATOM 0 H SER A 48 -10.308 -6.352 11.102 1.00 0.00 H new ATOM 0 HA SER A 48 -13.216 -6.764 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.904 -4.436 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.441 -5.413 8.640 1.00 0.00 H new ATOM 0 HG SER A 48 -14.086 -3.947 9.371 1.00 0.00 H new ATOM 690 N GLY A 49 -10.923 -7.358 8.731 1.00 0.00 N ATOM 691 CA GLY A 49 -10.446 -8.348 7.781 1.00 0.00 C ATOM 692 C GLY A 49 -10.458 -7.792 6.355 1.00 0.00 C ATOM 693 O GLY A 49 -10.795 -6.629 6.142 1.00 0.00 O ATOM 0 H GLY A 49 -10.432 -6.465 8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.434 -8.654 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.073 -9.238 7.833 1.00 0.00 H new ATOM 697 N LEU A 50 -10.087 -8.650 5.417 1.00 0.00 N ATOM 698 CA LEU A 50 -10.050 -8.259 4.018 1.00 0.00 C ATOM 699 C LEU A 50 -11.265 -7.382 3.707 1.00 0.00 C ATOM 700 O LEU A 50 -12.378 -7.683 4.133 1.00 0.00 O ATOM 701 CB LEU A 50 -9.935 -9.492 3.120 1.00 0.00 C ATOM 702 CG LEU A 50 -10.481 -9.340 1.698 1.00 0.00 C ATOM 703 CD1 LEU A 50 -9.404 -8.804 0.752 1.00 0.00 C ATOM 704 CD2 LEU A 50 -11.080 -10.655 1.197 1.00 0.00 C ATOM 0 H LEU A 50 -9.809 -9.615 5.598 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.163 -7.660 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.884 -9.774 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.458 -10.318 3.602 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.287 -8.606 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.818 -8.705 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.065 -7.829 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.562 -9.495 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.461 -10.519 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.311 -11.428 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.896 -10.957 1.854 1.00 0.00 H new ATOM 715 N PRO A 51 -11.002 -6.286 2.945 1.00 0.00 N ATOM 716 CA PRO A 51 -12.060 -5.363 2.571 1.00 0.00 C ATOM 717 C PRO A 51 -12.943 -5.958 1.472 1.00 0.00 C ATOM 718 O PRO A 51 -12.765 -7.111 1.085 1.00 0.00 O ATOM 719 CB PRO A 51 -11.342 -4.096 2.135 1.00 0.00 C ATOM 720 CG PRO A 51 -9.910 -4.510 1.839 1.00 0.00 C ATOM 721 CD PRO A 51 -9.696 -5.898 2.422 1.00 0.00 C ATOM 0 HA PRO A 51 -12.745 -5.154 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.814 -3.663 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.376 -3.339 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.729 -4.515 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.209 -3.800 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.350 -6.598 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.942 -5.885 3.209 1.00 0.00 H new ATOM 726 N ALA A 52 -13.877 -5.143 1.001 1.00 0.00 N ATOM 727 CA ALA A 52 -14.787 -5.575 -0.045 1.00 0.00 C ATOM 728 C ALA A 52 -14.365 -4.945 -1.374 1.00 0.00 C ATOM 729 O ALA A 52 -15.012 -5.156 -2.398 1.00 0.00 O ATOM 730 CB ALA A 52 -16.221 -5.209 0.344 1.00 0.00 C ATOM 0 H ALA A 52 -14.022 -4.187 1.325 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.747 -6.658 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.905 -5.533 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.482 -5.704 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.299 -4.129 0.471 1.00 0.00 H new ATOM 736 N LYS A 53 -13.282 -4.184 -1.315 1.00 0.00 N ATOM 737 CA LYS A 53 -12.765 -3.521 -2.501 1.00 0.00 C ATOM 738 C LYS A 53 -11.500 -4.240 -2.970 1.00 0.00 C ATOM 739 O LYS A 53 -11.359 -4.549 -4.152 1.00 0.00 O ATOM 740 CB LYS A 53 -12.563 -2.028 -2.236 1.00 0.00 C ATOM 741 CG LYS A 53 -12.132 -1.782 -0.788 1.00 0.00 C ATOM 742 CD LYS A 53 -11.359 -0.467 -0.663 1.00 0.00 C ATOM 743 CE LYS A 53 -12.276 0.664 -0.193 1.00 0.00 C ATOM 744 NZ LYS A 53 -12.322 0.713 1.286 1.00 0.00 N ATOM 0 H LYS A 53 -12.748 -4.011 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.486 -3.580 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.808 -1.633 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.489 -1.490 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.010 -1.755 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.510 -2.608 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.536 -0.590 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.918 -0.207 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.918 1.617 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.280 0.514 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.949 1.486 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.685 -0.190 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.365 0.878 1.658 1.00 0.00 H new ATOM 753 N LEU A 54 -10.609 -4.486 -2.019 1.00 0.00 N ATOM 754 CA LEU A 54 -9.359 -5.162 -2.320 1.00 0.00 C ATOM 755 C LEU A 54 -9.537 -6.669 -2.116 1.00 0.00 C ATOM 756 O LEU A 54 -8.639 -7.340 -1.611 1.00 0.00 O ATOM 757 CB LEU A 54 -8.215 -4.562 -1.501 1.00 0.00 C ATOM 758 CG LEU A 54 -8.187 -3.035 -1.406 1.00 0.00 C ATOM 759 CD1 LEU A 54 -9.083 -2.403 -2.473 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.558 -2.567 0.003 1.00 0.00 C ATOM 0 H LEU A 54 -10.729 -4.229 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.086 -5.011 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.266 -4.968 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.271 -4.897 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.168 -2.699 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.045 -1.317 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.734 -2.698 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.109 -2.743 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.531 -1.478 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.561 -2.914 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.847 -2.975 0.721 1.00 0.00 H new ATOM 771 N ARG A 55 -10.703 -7.153 -2.518 1.00 0.00 N ATOM 772 CA ARG A 55 -11.010 -8.568 -2.386 1.00 0.00 C ATOM 773 C ARG A 55 -10.962 -9.252 -3.754 1.00 0.00 C ATOM 774 O ARG A 55 -11.416 -10.385 -3.902 1.00 0.00 O ATOM 775 CB ARG A 55 -12.394 -8.775 -1.769 1.00 0.00 C ATOM 776 CG ARG A 55 -13.492 -8.241 -2.691 1.00 0.00 C ATOM 777 CD ARG A 55 -14.581 -9.293 -2.911 1.00 0.00 C ATOM 778 NE ARG A 55 -15.882 -8.629 -3.153 1.00 0.00 N ATOM 779 CZ ARG A 55 -17.009 -9.281 -3.515 1.00 0.00 C ATOM 780 NH1 ARG A 55 -17.002 -10.621 -3.680 1.00 0.00 N ATOM 781 NH2 ARG A 55 -18.116 -8.588 -3.706 1.00 0.00 N ATOM 0 H ARG A 55 -11.446 -6.592 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.261 -9.010 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.557 -9.836 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.446 -8.269 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.931 -7.343 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.060 -7.954 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.322 -9.925 -3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.652 -9.944 -2.039 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.931 -7.617 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.142 -11.149 -3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.857 -11.106 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.112 -7.576 -3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.975 -9.065 -3.980 1.00 0.00 H new ATOM 791 N HIS A 56 -10.407 -8.534 -4.720 1.00 0.00 N ATOM 792 CA HIS A 56 -10.294 -9.057 -6.071 1.00 0.00 C ATOM 793 C HIS A 56 -9.974 -10.553 -6.016 1.00 0.00 C ATOM 794 O HIS A 56 -9.273 -11.008 -5.114 1.00 0.00 O ATOM 795 CB HIS A 56 -9.268 -8.259 -6.877 1.00 0.00 C ATOM 796 CG HIS A 56 -9.432 -8.383 -8.374 1.00 0.00 C ATOM 797 ND1 HIS A 56 -8.465 -8.941 -9.192 1.00 0.00 N ATOM 798 CD2 HIS A 56 -10.462 -8.016 -9.190 1.00 0.00 C ATOM 799 CE1 HIS A 56 -8.902 -8.906 -10.441 1.00 0.00 C ATOM 800 NE2 HIS A 56 -10.140 -8.332 -10.439 1.00 0.00 N ATOM 0 H HIS A 56 -10.031 -7.594 -4.594 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.245 -8.944 -6.591 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.341 -7.207 -6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.267 -8.592 -6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.383 -7.548 -8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.372 -9.268 -11.309 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.722 -8.172 -11.261 1.00 0.00 H new ATOM 807 N GLU A 57 -10.501 -11.274 -6.994 1.00 0.00 N ATOM 808 CA GLU A 57 -10.281 -12.708 -7.070 1.00 0.00 C ATOM 809 C GLU A 57 -8.848 -13.046 -6.656 1.00 0.00 C ATOM 810 O GLU A 57 -8.592 -14.120 -6.113 1.00 0.00 O ATOM 811 CB GLU A 57 -10.587 -13.237 -8.472 1.00 0.00 C ATOM 812 CG GLU A 57 -11.463 -14.489 -8.406 1.00 0.00 C ATOM 813 CD GLU A 57 -12.922 -14.123 -8.124 1.00 0.00 C ATOM 814 OE1 GLU A 57 -13.411 -13.099 -8.620 1.00 0.00 O ATOM 815 OE2 GLU A 57 -13.552 -14.949 -7.359 1.00 0.00 O ATOM 0 H GLU A 57 -11.080 -10.892 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.964 -13.199 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.092 -12.466 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.655 -13.467 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.396 -15.034 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.094 -15.155 -7.626 1.00 0.00 H new ATOM 821 N GLN A 58 -7.950 -12.111 -6.929 1.00 0.00 N ATOM 822 CA GLN A 58 -6.549 -12.297 -6.591 1.00 0.00 C ATOM 823 C GLN A 58 -6.006 -11.058 -5.876 1.00 0.00 C ATOM 824 O GLN A 58 -6.127 -9.942 -6.380 1.00 0.00 O ATOM 825 CB GLN A 58 -5.723 -12.616 -7.838 1.00 0.00 C ATOM 826 CG GLN A 58 -6.023 -14.025 -8.350 1.00 0.00 C ATOM 827 CD GLN A 58 -6.529 -13.989 -9.794 1.00 0.00 C ATOM 828 OE1 GLN A 58 -6.610 -12.949 -10.424 1.00 0.00 O ATOM 829 NE2 GLN A 58 -6.865 -15.182 -10.279 1.00 0.00 N ATOM 0 H GLN A 58 -8.165 -11.222 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.468 -13.147 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.941 -11.888 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.661 -12.528 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.122 -14.636 -8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.770 -14.496 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.772 -16.014 -9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.215 -15.264 -11.233 1.00 0.00 H new ATOM 836 N ILE A 59 -5.420 -11.296 -4.712 1.00 0.00 N ATOM 837 CA ILE A 59 -4.859 -10.213 -3.922 1.00 0.00 C ATOM 838 C ILE A 59 -3.452 -10.600 -3.462 1.00 0.00 C ATOM 839 O ILE A 59 -3.082 -11.773 -3.502 1.00 0.00 O ATOM 840 CB ILE A 59 -5.801 -9.842 -2.775 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.180 -10.190 -1.420 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.173 -10.493 -2.960 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.061 -9.698 -0.270 1.00 0.00 C ATOM 0 H ILE A 59 -5.321 -12.222 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.761 -9.311 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.951 -8.763 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.046 -11.269 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.190 -9.739 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.823 -10.213 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.613 -10.153 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.061 -11.577 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.597 -9.958 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.173 -8.616 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.042 -10.169 -0.336 1.00 0.00 H new ATOM 854 N ILE A 60 -2.706 -9.592 -3.033 1.00 0.00 N ATOM 855 CA ILE A 60 -1.348 -9.812 -2.565 1.00 0.00 C ATOM 856 C ILE A 60 -1.184 -9.191 -1.177 1.00 0.00 C ATOM 857 O ILE A 60 -1.969 -8.329 -0.782 1.00 0.00 O ATOM 858 CB ILE A 60 -0.337 -9.297 -3.592 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.503 -10.018 -4.932 1.00 0.00 C ATOM 860 CG2 ILE A 60 1.092 -9.405 -3.056 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.766 -9.895 -5.780 1.00 0.00 C ATOM 0 H ILE A 60 -3.016 -8.621 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.149 -10.879 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.536 -8.240 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.728 -11.070 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.350 -9.596 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.791 -9.033 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.185 -8.812 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.320 -10.448 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.623 -10.415 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.974 -8.843 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.605 -10.339 -5.245 1.00 0.00 H new ATOM 872 N PHE A 61 -0.160 -9.652 -0.473 1.00 0.00 N ATOM 873 CA PHE A 61 0.116 -9.153 0.863 1.00 0.00 C ATOM 874 C PHE A 61 1.604 -8.839 1.034 1.00 0.00 C ATOM 875 O PHE A 61 2.436 -9.326 0.271 1.00 0.00 O ATOM 876 CB PHE A 61 -0.276 -10.259 1.844 1.00 0.00 C ATOM 877 CG PHE A 61 -1.772 -10.312 2.157 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.383 -9.244 2.739 1.00 0.00 C ATOM 879 CD2 PHE A 61 -2.492 -11.425 1.856 1.00 0.00 C ATOM 880 CE1 PHE A 61 -3.772 -9.293 3.029 1.00 0.00 C ATOM 881 CE2 PHE A 61 -3.881 -11.474 2.146 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.491 -10.406 2.727 1.00 0.00 C ATOM 0 H PHE A 61 0.489 -10.366 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.444 -8.235 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.033 -11.220 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.274 -10.117 2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.812 -8.360 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.007 -12.273 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.257 -8.445 3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.453 -12.358 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.547 -10.443 2.948 1.00 0.00 H new ATOM 891 N HIS A 62 1.893 -8.026 2.039 1.00 0.00 N ATOM 892 CA HIS A 62 3.265 -7.641 2.320 1.00 0.00 C ATOM 893 C HIS A 62 3.334 -6.942 3.679 1.00 0.00 C ATOM 894 O HIS A 62 2.327 -6.831 4.377 1.00 0.00 O ATOM 895 CB HIS A 62 3.833 -6.787 1.185 1.00 0.00 C ATOM 896 CG HIS A 62 3.768 -5.300 1.444 1.00 0.00 C ATOM 897 ND1 HIS A 62 4.686 -4.449 1.987 1.00 0.00 N flip ATOM 898 CD2 HIS A 62 2.660 -4.532 1.132 1.00 0.00 C flip ATOM 899 CE1 HIS A 62 4.166 -3.229 2.005 1.00 0.00 C flip ATOM 900 NE2 HIS A 62 2.911 -3.278 1.476 1.00 0.00 N flip ATOM 0 H HIS A 62 1.200 -7.623 2.669 1.00 0.00 H new ATOM 0 HA HIS A 62 3.892 -8.531 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.872 -7.071 1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.287 -7.010 0.268 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.614 -4.707 2.322 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.746 -4.894 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.657 -2.342 2.378 1.00 0.00 H new ATOM 907 N CYS A 63 4.533 -6.489 4.016 1.00 0.00 N ATOM 908 CA CYS A 63 4.746 -5.803 5.279 1.00 0.00 C ATOM 909 C CYS A 63 6.216 -5.384 5.355 1.00 0.00 C ATOM 910 O CYS A 63 6.884 -5.262 4.331 1.00 0.00 O ATOM 911 CB CYS A 63 4.339 -6.674 6.470 1.00 0.00 C ATOM 912 SG CYS A 63 5.564 -8.008 6.720 1.00 0.00 S ATOM 0 H CYS A 63 5.367 -6.584 3.436 1.00 0.00 H new ATOM 0 HA CYS A 63 4.113 -4.917 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.267 -6.063 7.370 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.352 -7.103 6.296 1.00 0.00 H new ATOM 0 HG CYS A 63 5.248 -9.031 5.983 1.00 0.00 H new ATOM 986 N THR A 69 4.712 -11.794 6.902 1.00 0.00 N ATOM 987 CA THR A 69 3.589 -12.159 6.055 1.00 0.00 C ATOM 988 C THR A 69 3.436 -13.679 5.996 1.00 0.00 C ATOM 989 O THR A 69 2.327 -14.200 6.100 1.00 0.00 O ATOM 990 CB THR A 69 3.805 -11.516 4.682 1.00 0.00 C ATOM 991 OG1 THR A 69 4.809 -10.533 4.913 1.00 0.00 O ATOM 992 CG2 THR A 69 2.592 -10.708 4.218 1.00 0.00 C ATOM 0 HA THR A 69 2.649 -11.786 6.462 1.00 0.00 H new ATOM 0 HB THR A 69 4.027 -12.291 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.434 -10.858 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.797 -10.273 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.723 -11.363 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.390 -9.911 4.934 1.00 0.00 H new ATOM 1000 N SER A 70 4.567 -14.350 5.831 1.00 0.00 N ATOM 1001 CA SER A 70 4.573 -15.801 5.758 1.00 0.00 C ATOM 1002 C SER A 70 4.122 -16.394 7.093 1.00 0.00 C ATOM 1003 O SER A 70 3.344 -17.346 7.123 1.00 0.00 O ATOM 1004 CB SER A 70 5.959 -16.328 5.383 1.00 0.00 C ATOM 1005 OG SER A 70 5.944 -17.047 4.153 1.00 0.00 O ATOM 0 H SER A 70 5.486 -13.915 5.746 1.00 0.00 H new ATOM 0 HA SER A 70 3.875 -16.107 4.978 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.655 -15.493 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.327 -16.977 6.178 1.00 0.00 H new ATOM 0 HG SER A 70 6.848 -17.365 3.949 1.00 0.00 H new ATOM 1010 N ASN A 71 4.630 -15.807 8.167 1.00 0.00 N ATOM 1011 CA ASN A 71 4.289 -16.266 9.503 1.00 0.00 C ATOM 1012 C ASN A 71 2.773 -16.178 9.696 1.00 0.00 C ATOM 1013 O ASN A 71 2.221 -16.816 10.591 1.00 0.00 O ATOM 1014 CB ASN A 71 4.953 -15.395 10.570 1.00 0.00 C ATOM 1015 CG ASN A 71 6.228 -16.054 11.101 1.00 0.00 C ATOM 1016 OD1 ASN A 71 6.229 -17.187 11.554 1.00 0.00 O ATOM 1017 ND2 ASN A 71 7.309 -15.284 11.022 1.00 0.00 N ATOM 0 H ASN A 71 5.275 -15.017 8.139 1.00 0.00 H new ATOM 0 HA ASN A 71 4.639 -17.293 9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.192 -14.418 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.257 -15.227 11.392 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.209 -15.633 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.238 -14.344 10.632 1.00 0.00 H new ATOM 1023 N ASN A 72 2.145 -15.383 8.843 1.00 0.00 N ATOM 1024 CA ASN A 72 0.705 -15.203 8.909 1.00 0.00 C ATOM 1025 C ASN A 72 0.097 -15.484 7.534 1.00 0.00 C ATOM 1026 O ASN A 72 -0.783 -14.756 7.080 1.00 0.00 O ATOM 1027 CB ASN A 72 0.347 -13.768 9.299 1.00 0.00 C ATOM 1028 CG ASN A 72 1.324 -13.222 10.343 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.707 -14.120 11.247 1.00 0.00 O flip ATOM 1030 ND2 ASN A 72 1.705 -12.064 10.329 1.00 0.00 N flip ATOM 0 H ASN A 72 2.607 -14.856 8.102 1.00 0.00 H new ATOM 0 HA ASN A 72 0.313 -15.890 9.660 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.363 -13.132 8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.668 -13.738 9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.372 -11.426 9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.357 -11.733 11.040 1.00 0.00 H new ATOM 1036 N ALA A 73 0.591 -16.544 6.910 1.00 0.00 N ATOM 1037 CA ALA A 73 0.107 -16.931 5.595 1.00 0.00 C ATOM 1038 C ALA A 73 -0.972 -18.004 5.750 1.00 0.00 C ATOM 1039 O ALA A 73 -1.471 -18.535 4.759 1.00 0.00 O ATOM 1040 CB ALA A 73 1.282 -17.405 4.738 1.00 0.00 C ATOM 0 H ALA A 73 1.321 -17.146 7.290 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.345 -16.080 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.919 -17.695 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.006 -16.597 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.759 -18.261 5.216 1.00 0.00 H new ATOM 1046 N ASP A 74 -1.303 -18.290 7.001 1.00 0.00 N ATOM 1047 CA ASP A 74 -2.314 -19.290 7.297 1.00 0.00 C ATOM 1048 C ASP A 74 -3.524 -18.610 7.941 1.00 0.00 C ATOM 1049 O ASP A 74 -4.663 -19.017 7.712 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.783 -20.337 8.280 1.00 0.00 C ATOM 1051 CG ASP A 74 -2.266 -21.766 8.028 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -3.401 -22.126 8.372 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -1.412 -22.534 7.442 1.00 0.00 O ATOM 0 H ASP A 74 -0.889 -17.846 7.821 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.588 -19.779 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.694 -20.327 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.072 -20.045 9.290 1.00 0.00 H new ATOM 1058 N LYS A 75 -3.237 -17.587 8.730 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.287 -16.845 9.407 1.00 0.00 C ATOM 1060 C LYS A 75 -4.741 -15.685 8.519 1.00 0.00 C ATOM 1061 O LYS A 75 -5.917 -15.586 8.172 1.00 0.00 O ATOM 1062 CB LYS A 75 -3.826 -16.411 10.800 1.00 0.00 C ATOM 1063 CG LYS A 75 -4.790 -16.910 11.878 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.242 -16.611 11.497 1.00 0.00 C ATOM 1065 CE LYS A 75 -6.913 -15.727 12.550 1.00 0.00 C ATOM 1066 NZ LYS A 75 -7.553 -16.560 13.593 1.00 0.00 N ATOM 0 H LYS A 75 -2.291 -17.253 8.916 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.157 -17.481 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.826 -16.800 10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.759 -15.324 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.661 -17.983 12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.555 -16.434 12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.273 -16.115 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.795 -17.545 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.174 -15.068 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.659 -15.089 12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.004 -15.945 14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.272 -17.171 13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.833 -17.150 14.056 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.783 -14.834 8.179 1.00 0.00 N ATOM 1076 CA LEU A 76 -4.070 -13.684 7.338 1.00 0.00 C ATOM 1077 C LEU A 76 -4.532 -14.166 5.961 1.00 0.00 C ATOM 1078 O LEU A 76 -5.181 -13.424 5.226 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.863 -12.745 7.288 1.00 0.00 C ATOM 1080 CG LEU A 76 -2.421 -12.294 5.894 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -3.353 -11.210 5.347 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -0.959 -11.843 5.901 1.00 0.00 C ATOM 0 H LEU A 76 -2.809 -14.918 8.470 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.886 -13.097 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.093 -11.858 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.021 -13.241 7.771 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.491 -13.148 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.016 -10.907 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.368 -11.602 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.339 -10.348 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.671 -11.528 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.839 -11.009 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.324 -12.671 6.218 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.177 -15.405 5.654 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.547 -15.994 4.378 1.00 0.00 C ATOM 1095 C ALA A 77 -6.034 -16.355 4.401 1.00 0.00 C ATOM 1096 O ALA A 77 -6.791 -15.939 3.525 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.657 -17.206 4.099 1.00 0.00 C ATOM 0 H ALA A 77 -3.637 -16.017 6.266 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.393 -15.283 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.934 -17.648 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.614 -16.891 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.788 -17.943 4.891 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.408 -17.127 5.410 1.00 0.00 N ATOM 1104 CA ALA A 78 -7.790 -17.550 5.559 1.00 0.00 C ATOM 1105 C ALA A 78 -8.697 -16.317 5.564 1.00 0.00 C ATOM 1106 O ALA A 78 -9.895 -16.423 5.307 1.00 0.00 O ATOM 1107 CB ALA A 78 -7.935 -18.386 6.831 1.00 0.00 C ATOM 0 H ALA A 78 -5.777 -17.471 6.134 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.092 -18.179 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.972 -18.703 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.292 -19.264 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.644 -17.788 7.695 1.00 0.00 H new ATOM 1113 N ILE A 79 -8.090 -15.176 5.857 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.829 -13.925 5.899 1.00 0.00 C ATOM 1115 C ILE A 79 -9.335 -13.590 4.494 1.00 0.00 C ATOM 1116 O ILE A 79 -10.513 -13.286 4.311 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.975 -12.821 6.525 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -8.170 -12.771 8.042 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -8.259 -11.469 5.866 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -6.914 -12.245 8.739 1.00 0.00 C ATOM 0 H ILE A 79 -7.096 -15.092 6.067 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.706 -14.020 6.540 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.926 -13.055 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.019 -12.131 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.407 -13.767 8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.639 -10.701 6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.030 -11.528 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.311 -11.214 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.079 -12.219 9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.073 -12.901 8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.694 -11.239 8.382 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.419 -13.657 3.539 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.758 -13.364 2.157 1.00 0.00 C ATOM 1133 C ALA A 80 -9.280 -14.635 1.483 1.00 0.00 C ATOM 1134 O ALA A 80 -10.204 -14.577 0.673 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.535 -12.786 1.442 1.00 0.00 C ATOM 0 H ALA A 80 -7.443 -13.910 3.695 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.549 -12.616 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.790 -12.566 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.222 -11.869 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.721 -13.510 1.470 1.00 0.00 H new ATOM 1141 N ALA A 81 -8.666 -15.752 1.844 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.058 -17.034 1.285 1.00 0.00 C ATOM 1143 C ALA A 81 -10.582 -17.092 1.168 1.00 0.00 C ATOM 1144 O ALA A 81 -11.288 -16.335 1.832 1.00 0.00 O ATOM 1145 CB ALA A 81 -8.497 -18.162 2.154 1.00 0.00 C ATOM 0 H ALA A 81 -7.900 -15.796 2.516 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.646 -17.157 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.791 -19.124 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.409 -18.094 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.891 -18.072 3.166 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.057 -18.021 0.296 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.153 -18.878 -0.451 1.00 0.00 C ATOM 1153 C PRO A 82 -9.479 -18.106 -1.587 1.00 0.00 C ATOM 1154 O PRO A 82 -8.668 -18.662 -2.325 1.00 0.00 O ATOM 1155 CB PRO A 82 -11.017 -20.026 -0.945 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.453 -19.537 -0.854 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.463 -18.279 -0.001 1.00 0.00 C ATOM 0 HA PRO A 82 -9.328 -19.250 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.760 -20.295 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.869 -20.917 -0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.849 -19.328 -1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.090 -20.303 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.915 -17.443 -0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.040 -18.424 0.912 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.840 -16.835 -1.692 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.281 -15.981 -2.725 1.00 0.00 C ATOM 1164 C ALA A 83 -7.776 -16.236 -2.833 1.00 0.00 C ATOM 1165 O ALA A 83 -7.108 -16.462 -1.825 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.603 -14.518 -2.409 1.00 0.00 C ATOM 0 H ALA A 83 -10.513 -16.377 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.725 -16.211 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.183 -13.877 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.684 -14.383 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.171 -14.251 -1.445 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.287 -16.190 -4.063 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.873 -16.413 -4.315 1.00 0.00 C ATOM 1174 C GLU A 84 -5.042 -15.274 -3.721 1.00 0.00 C ATOM 1175 O GLU A 84 -5.219 -14.114 -4.090 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.601 -16.567 -5.813 1.00 0.00 C ATOM 1177 CG GLU A 84 -5.961 -17.975 -6.293 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.899 -18.989 -5.864 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -5.160 -19.828 -4.989 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -3.767 -18.885 -6.475 1.00 0.00 O ATOM 0 H GLU A 84 -7.844 -16.002 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.579 -17.343 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.180 -15.830 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.549 -16.367 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.930 -18.265 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.056 -17.980 -7.379 1.00 0.00 H new ATOM 1186 N ILE A 85 -4.153 -15.645 -2.812 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.294 -14.669 -2.164 1.00 0.00 C ATOM 1188 C ILE A 85 -1.837 -14.950 -2.537 1.00 0.00 C ATOM 1189 O ILE A 85 -1.494 -16.070 -2.912 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.549 -14.647 -0.655 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.612 -13.609 -0.293 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.248 -14.430 0.119 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.738 -13.591 -1.329 1.00 0.00 C ATOM 0 H ILE A 85 -4.009 -16.608 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.526 -13.664 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.938 -15.622 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.023 -13.832 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.155 -12.622 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.458 -14.419 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.552 -15.238 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.805 -13.478 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.480 -12.844 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.328 -13.343 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.209 -14.573 -1.371 1.00 0.00 H new ATOM 1204 N PHE A 86 -1.019 -13.914 -2.421 1.00 0.00 N ATOM 1205 CA PHE A 86 0.392 -14.036 -2.740 1.00 0.00 C ATOM 1206 C PHE A 86 1.226 -13.038 -1.935 1.00 0.00 C ATOM 1207 O PHE A 86 0.679 -12.144 -1.291 1.00 0.00 O ATOM 1208 CB PHE A 86 0.542 -13.722 -4.230 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.479 -14.432 -5.122 1.00 0.00 C ATOM 1210 CD1 PHE A 86 -0.312 -15.746 -5.432 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.552 -13.751 -5.604 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -1.259 -16.405 -6.259 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -2.499 -14.411 -6.431 1.00 0.00 C ATOM 1214 CZ PHE A 86 -2.332 -15.724 -6.742 1.00 0.00 C ATOM 0 H PHE A 86 -1.307 -12.986 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 86 0.742 -15.039 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.449 -12.646 -4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.546 -14.002 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.540 -16.287 -5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.684 -12.708 -5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.127 -17.448 -6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.352 -13.870 -6.813 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.051 -16.226 -7.372 1.00 0.00 H new ATOM 1223 N LEU A 87 2.536 -13.223 -1.997 1.00 0.00 N ATOM 1224 CA LEU A 87 3.450 -12.350 -1.281 1.00 0.00 C ATOM 1225 C LEU A 87 4.366 -11.644 -2.284 1.00 0.00 C ATOM 1226 O LEU A 87 4.997 -12.293 -3.117 1.00 0.00 O ATOM 1227 CB LEU A 87 4.206 -13.132 -0.204 1.00 0.00 C ATOM 1228 CG LEU A 87 3.341 -13.846 0.837 1.00 0.00 C ATOM 1229 CD1 LEU A 87 4.069 -15.062 1.413 1.00 0.00 C ATOM 1230 CD2 LEU A 87 2.887 -12.878 1.931 1.00 0.00 C ATOM 0 H LEU A 87 2.987 -13.965 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 87 2.898 -11.574 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.835 -13.874 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.872 -12.444 0.316 1.00 0.00 H new ATOM 0 HG LEU A 87 2.443 -14.213 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.433 -15.551 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.299 -15.762 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.995 -14.740 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.274 -13.412 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.760 -12.459 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.303 -12.073 1.485 1.00 0.00 H new ATOM 1241 N LEU A 88 4.408 -10.325 -2.171 1.00 0.00 N ATOM 1242 CA LEU A 88 5.235 -9.523 -3.057 1.00 0.00 C ATOM 1243 C LEU A 88 6.570 -10.236 -3.284 1.00 0.00 C ATOM 1244 O LEU A 88 7.002 -10.406 -4.424 1.00 0.00 O ATOM 1245 CB LEU A 88 5.382 -8.101 -2.514 1.00 0.00 C ATOM 1246 CG LEU A 88 5.640 -7.010 -3.554 1.00 0.00 C ATOM 1247 CD1 LEU A 88 4.509 -6.954 -4.583 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.869 -5.655 -2.881 1.00 0.00 C ATOM 0 H LEU A 88 3.882 -9.791 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 88 4.758 -9.418 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.474 -7.847 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.201 -8.091 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 88 6.553 -7.261 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.718 -6.170 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.435 -7.914 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.568 -6.739 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.050 -4.897 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.987 -5.383 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.733 -5.719 -2.220 1.00 0.00 H new ATOM 1259 N GLU A 89 7.187 -10.634 -2.181 1.00 0.00 N ATOM 1260 CA GLU A 89 8.464 -11.324 -2.245 1.00 0.00 C ATOM 1261 C GLU A 89 9.026 -11.532 -0.838 1.00 0.00 C ATOM 1262 O GLU A 89 9.644 -12.558 -0.557 1.00 0.00 O ATOM 1263 CB GLU A 89 9.457 -10.561 -3.125 1.00 0.00 C ATOM 1264 CG GLU A 89 9.642 -9.127 -2.625 1.00 0.00 C ATOM 1265 CD GLU A 89 8.594 -8.193 -3.236 1.00 0.00 C ATOM 1266 OE1 GLU A 89 8.082 -7.299 -2.546 1.00 0.00 O ATOM 1267 OE2 GLU A 89 8.318 -8.423 -4.475 1.00 0.00 O ATOM 0 H GLU A 89 6.826 -10.492 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 89 8.304 -12.302 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.418 -11.076 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.100 -10.548 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.565 -9.104 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.641 -8.775 -2.881 1.00 0.00 H new ATOM 1273 N ASP A 90 8.793 -10.542 0.011 1.00 0.00 N ATOM 1274 CA ASP A 90 9.268 -10.603 1.383 1.00 0.00 C ATOM 1275 C ASP A 90 9.311 -9.190 1.967 1.00 0.00 C ATOM 1276 O ASP A 90 10.384 -8.606 2.110 1.00 0.00 O ATOM 1277 CB ASP A 90 10.681 -11.187 1.450 1.00 0.00 C ATOM 1278 CG ASP A 90 11.606 -10.773 0.305 1.00 0.00 C ATOM 1279 OD1 ASP A 90 11.886 -11.565 -0.608 1.00 0.00 O ATOM 1280 OD2 ASP A 90 12.054 -9.565 0.373 1.00 0.00 O ATOM 0 H ASP A 90 8.281 -9.692 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 90 8.587 -11.240 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.138 -10.887 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.608 -12.274 1.463 1.00 0.00 H new ATOM 1285 N GLY A 91 8.131 -8.681 2.288 1.00 0.00 N ATOM 1286 CA GLY A 91 8.021 -7.347 2.854 1.00 0.00 C ATOM 1287 C GLY A 91 7.910 -6.291 1.751 1.00 0.00 C ATOM 1288 O GLY A 91 6.850 -6.127 1.149 1.00 0.00 O ATOM 0 H GLY A 91 7.243 -9.168 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.146 -7.294 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.892 -7.139 3.476 1.00 0.00 H new ATOM 1292 N ILE A 92 9.018 -5.603 1.521 1.00 0.00 N ATOM 1293 CA ILE A 92 9.059 -4.569 0.502 1.00 0.00 C ATOM 1294 C ILE A 92 10.489 -4.434 -0.024 1.00 0.00 C ATOM 1295 O ILE A 92 10.874 -3.375 -0.520 1.00 0.00 O ATOM 1296 CB ILE A 92 8.477 -3.261 1.042 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.478 -2.655 0.053 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.588 -2.276 1.411 1.00 0.00 C ATOM 1299 CD1 ILE A 92 8.091 -2.541 -1.343 1.00 0.00 C ATOM 0 H ILE A 92 9.895 -5.742 2.023 1.00 0.00 H new ATOM 0 HA ILE A 92 8.431 -4.845 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 92 7.929 -3.484 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.581 -3.273 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.169 -1.669 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.146 -1.355 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.225 -2.717 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.185 -2.053 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.361 -2.108 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.973 -1.902 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.376 -3.532 -1.697 1.00 0.00 H new ATOM 1310 N ASP A 93 11.237 -5.519 0.100 1.00 0.00 N ATOM 1311 CA ASP A 93 12.616 -5.535 -0.357 1.00 0.00 C ATOM 1312 C ASP A 93 12.653 -5.912 -1.840 1.00 0.00 C ATOM 1313 O ASP A 93 13.727 -6.034 -2.426 1.00 0.00 O ATOM 1314 CB ASP A 93 13.440 -6.569 0.414 1.00 0.00 C ATOM 1315 CG ASP A 93 14.781 -6.935 -0.226 1.00 0.00 C ATOM 1316 OD1 ASP A 93 15.484 -6.072 -0.773 1.00 0.00 O ATOM 1317 OD2 ASP A 93 15.101 -8.182 -0.146 1.00 0.00 O ATOM 0 H ASP A 93 10.914 -6.395 0.511 1.00 0.00 H new ATOM 0 HA ASP A 93 13.037 -4.543 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.626 -6.188 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.846 -7.477 0.522 1.00 0.00 H new ATOM 1322 N GLY A 94 11.466 -6.085 -2.403 1.00 0.00 N ATOM 1323 CA GLY A 94 11.349 -6.446 -3.806 1.00 0.00 C ATOM 1324 C GLY A 94 11.128 -5.205 -4.674 1.00 0.00 C ATOM 1325 O GLY A 94 11.975 -4.861 -5.497 1.00 0.00 O ATOM 0 H GLY A 94 10.577 -5.982 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.252 -6.964 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.519 -7.140 -3.939 1.00 0.00 H new ATOM 1329 N TRP A 95 9.987 -4.568 -4.460 1.00 0.00 N ATOM 1330 CA TRP A 95 9.645 -3.373 -5.212 1.00 0.00 C ATOM 1331 C TRP A 95 10.913 -2.531 -5.366 1.00 0.00 C ATOM 1332 O TRP A 95 11.128 -1.911 -6.406 1.00 0.00 O ATOM 1333 CB TRP A 95 8.499 -2.612 -4.541 1.00 0.00 C ATOM 1334 CG TRP A 95 8.042 -1.371 -5.311 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.060 -0.095 -4.905 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.491 -1.343 -6.645 1.00 0.00 C ATOM 1337 NE1 TRP A 95 7.563 0.752 -5.876 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.207 -0.031 -6.968 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.242 -2.390 -7.549 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.660 0.354 -8.197 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.695 -1.988 -8.774 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.403 -0.672 -9.114 1.00 0.00 C ATOM 0 H TRP A 95 9.287 -4.857 -3.776 1.00 0.00 H new ATOM 0 HA TRP A 95 9.279 -3.634 -6.205 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.650 -3.285 -4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.812 -2.312 -3.541 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.418 0.231 -3.940 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.474 1.766 -5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.456 -3.423 -7.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.447 1.388 -8.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.485 -2.754 -9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.980 -0.442 -10.081 1.00 0.00 H new ATOM 1352 N LYS A 96 11.719 -2.536 -4.314 1.00 0.00 N ATOM 1353 CA LYS A 96 12.961 -1.780 -4.319 1.00 0.00 C ATOM 1354 C LYS A 96 14.000 -2.521 -5.163 1.00 0.00 C ATOM 1355 O LYS A 96 14.669 -1.918 -6.001 1.00 0.00 O ATOM 1356 CB LYS A 96 13.420 -1.496 -2.888 1.00 0.00 C ATOM 1357 CG LYS A 96 14.552 -0.466 -2.870 1.00 0.00 C ATOM 1358 CD LYS A 96 14.114 0.816 -2.159 1.00 0.00 C ATOM 1359 CE LYS A 96 15.290 1.780 -1.993 1.00 0.00 C ATOM 1360 NZ LYS A 96 15.174 2.527 -0.720 1.00 0.00 N ATOM 0 H LYS A 96 11.537 -3.051 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 96 12.812 -0.804 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.580 -1.129 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.757 -2.421 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.423 -0.886 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.855 -0.235 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.321 1.299 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.700 0.570 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.228 1.225 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.316 2.478 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.981 3.177 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.288 3.072 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.172 1.858 0.076 1.00 0.00 H new ATOM 1369 N LYS A 97 14.103 -3.818 -4.913 1.00 0.00 N ATOM 1370 CA LYS A 97 15.049 -4.648 -5.639 1.00 0.00 C ATOM 1371 C LYS A 97 15.020 -4.269 -7.121 1.00 0.00 C ATOM 1372 O LYS A 97 15.992 -3.730 -7.647 1.00 0.00 O ATOM 1373 CB LYS A 97 14.774 -6.129 -5.377 1.00 0.00 C ATOM 1374 CG LYS A 97 16.066 -6.872 -5.021 1.00 0.00 C ATOM 1375 CD LYS A 97 15.885 -8.384 -5.166 1.00 0.00 C ATOM 1376 CE LYS A 97 15.846 -9.066 -3.797 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.253 -10.484 -3.913 1.00 0.00 N ATOM 0 H LYS A 97 13.546 -4.315 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 97 16.064 -4.469 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.056 -6.231 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.322 -6.581 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.874 -6.535 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.357 -6.633 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.962 -8.593 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.702 -8.796 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.510 -8.546 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.840 -9.003 -3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.221 -10.932 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.603 -10.980 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.221 -10.538 -4.289 1.00 0.00 H new ATOM 1386 N ALA A 98 13.893 -4.567 -7.753 1.00 0.00 N ATOM 1387 CA ALA A 98 13.725 -4.265 -9.164 1.00 0.00 C ATOM 1388 C ALA A 98 14.161 -2.822 -9.428 1.00 0.00 C ATOM 1389 O ALA A 98 14.547 -2.481 -10.545 1.00 0.00 O ATOM 1390 CB ALA A 98 12.271 -4.518 -9.569 1.00 0.00 C ATOM 0 H ALA A 98 13.088 -5.014 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 98 14.352 -4.915 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.144 -4.292 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.020 -5.563 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.613 -3.880 -8.980 1.00 0.00 H new ATOM 1396 N GLY A 99 14.084 -2.013 -8.382 1.00 0.00 N ATOM 1397 CA GLY A 99 14.466 -0.616 -8.487 1.00 0.00 C ATOM 1398 C GLY A 99 13.252 0.263 -8.796 1.00 0.00 C ATOM 1399 O GLY A 99 13.318 1.136 -9.660 1.00 0.00 O ATOM 0 H GLY A 99 13.762 -2.299 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.927 -0.290 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.214 -0.498 -9.271 1.00 0.00 H new ATOM 1403 N LEU A 100 12.173 0.001 -8.073 1.00 0.00 N ATOM 1404 CA LEU A 100 10.946 0.758 -8.260 1.00 0.00 C ATOM 1405 C LEU A 100 10.684 1.611 -7.017 1.00 0.00 C ATOM 1406 O LEU A 100 10.656 1.096 -5.900 1.00 0.00 O ATOM 1407 CB LEU A 100 9.790 -0.178 -8.618 1.00 0.00 C ATOM 1408 CG LEU A 100 10.028 -1.115 -9.804 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.512 -2.524 -9.501 1.00 0.00 C ATOM 1410 CD2 LEU A 100 9.418 -0.544 -11.086 1.00 0.00 C ATOM 0 H LEU A 100 12.123 -0.724 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 100 11.045 1.443 -9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.555 -0.784 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.910 0.429 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 100 11.103 -1.193 -9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.693 -3.170 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.033 -2.923 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.442 -2.484 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.602 -1.230 -11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.344 -0.416 -10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.873 0.421 -11.307 1.00 0.00 H new ATOM 1421 N PRO A 101 10.494 2.936 -7.260 1.00 0.00 N ATOM 1422 CA PRO A 101 10.234 3.866 -6.175 1.00 0.00 C ATOM 1423 C PRO A 101 8.802 3.719 -5.656 1.00 0.00 C ATOM 1424 O PRO A 101 7.860 3.630 -6.442 1.00 0.00 O ATOM 1425 CB PRO A 101 10.517 5.240 -6.758 1.00 0.00 C ATOM 1426 CG PRO A 101 10.472 5.069 -8.268 1.00 0.00 C ATOM 1427 CD PRO A 101 10.519 3.581 -8.570 1.00 0.00 C ATOM 0 HA PRO A 101 10.862 3.681 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.775 5.966 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.491 5.608 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.564 5.513 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.314 5.580 -8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.669 3.273 -9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.420 3.318 -9.124 1.00 0.00 H new ATOM 1432 N VAL A 102 8.684 3.698 -4.337 1.00 0.00 N ATOM 1433 CA VAL A 102 7.382 3.563 -3.704 1.00 0.00 C ATOM 1434 C VAL A 102 6.658 4.911 -3.746 1.00 0.00 C ATOM 1435 O VAL A 102 7.203 5.898 -4.238 1.00 0.00 O ATOM 1436 CB VAL A 102 7.543 3.015 -2.285 1.00 0.00 C ATOM 1437 CG1 VAL A 102 8.606 1.914 -2.241 1.00 0.00 C ATOM 1438 CG2 VAL A 102 7.875 4.137 -1.298 1.00 0.00 C ATOM 0 H VAL A 102 9.468 3.772 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 102 6.766 2.845 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 102 6.592 2.576 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.701 1.541 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.311 1.097 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 102 9.563 2.319 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.984 3.720 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.807 4.618 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.071 4.872 -1.299 1.00 0.00 H new ATOM 1448 N ALA A 103 5.440 4.908 -3.224 1.00 0.00 N ATOM 1449 CA ALA A 103 4.636 6.118 -3.195 1.00 0.00 C ATOM 1450 C ALA A 103 5.102 7.008 -2.042 1.00 0.00 C ATOM 1451 O ALA A 103 4.512 6.992 -0.962 1.00 0.00 O ATOM 1452 CB ALA A 103 3.157 5.744 -3.082 1.00 0.00 C ATOM 0 H ALA A 103 4.991 4.087 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 103 4.760 6.684 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.553 6.651 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.869 5.137 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.994 5.177 -2.165 1.00 0.00 H new ATOM 1458 N VAL A 104 6.157 7.764 -2.309 1.00 0.00 N ATOM 1459 CA VAL A 104 6.710 8.659 -1.307 1.00 0.00 C ATOM 1460 C VAL A 104 6.222 10.084 -1.578 1.00 0.00 C ATOM 1461 O VAL A 104 6.994 10.935 -2.017 1.00 0.00 O ATOM 1462 CB VAL A 104 8.235 8.543 -1.285 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.706 7.718 -0.086 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.758 7.952 -2.596 1.00 0.00 C ATOM 0 H VAL A 104 6.644 7.775 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 104 6.363 8.380 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 104 8.646 9.547 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.794 7.652 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.379 8.198 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.281 6.716 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.845 7.880 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.334 6.959 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.468 8.596 -3.426 1.00 0.00 H new