USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 28 ASN : amide:sc= -0.254 K(o=-0.81,f=-1.5) USER MOD Set 1.2: A 37 MET CE :methyl -157:sc= -0.555 (180deg=-1.99!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.59! C(o=-4!,f=-2.6!) USER MOD Single : A 11 THR OG1 : rot 48:sc= 0.379 USER MOD Single : A 23 GLN : amide:sc= -0.86 K(o=-0.86,f=-6.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 56 SER OG : rot -77:sc= -0.217 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00733) USER MOD Single : A 65 HIS : no HD1:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.29) USER MOD Single : A 72 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.3) USER MOD Single : A 78 TYR OH : rot 23:sc= -1.98! USER MOD Single : A 79 SER OG : rot 103:sc= -0.456 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.299 -11.337 0.792 1.00 0.00 N ATOM 17 CA LEU A 8 8.886 -12.667 0.918 1.00 0.00 C ATOM 18 C LEU A 8 10.367 -12.645 0.553 1.00 0.00 C ATOM 19 O LEU A 8 10.875 -11.650 0.037 1.00 0.00 O ATOM 20 CB LEU A 8 8.143 -13.661 0.024 1.00 0.00 C ATOM 21 CG LEU A 8 8.073 -13.305 -1.462 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.368 -13.686 -2.163 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.886 -13.992 -2.120 1.00 0.00 C ATOM 0 HA LEU A 8 8.791 -12.982 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.622 -14.635 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.125 -13.767 0.400 1.00 0.00 H new ATOM 0 HG LEU A 8 7.938 -12.227 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.300 -13.426 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.200 -13.147 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.533 -14.759 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.852 -13.727 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.990 -15.072 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.964 -13.669 -1.635 1.00 0.00 H new ATOM 35 N SER A 9 11.054 -13.751 0.823 1.00 0.00 N ATOM 36 CA SER A 9 12.477 -13.859 0.524 1.00 0.00 C ATOM 37 C SER A 9 12.714 -14.789 -0.662 1.00 0.00 C ATOM 38 O SER A 9 11.779 -15.385 -1.194 1.00 0.00 O ATOM 39 CB SER A 9 13.239 -14.370 1.748 1.00 0.00 C ATOM 40 OG SER A 9 13.589 -13.304 2.613 1.00 0.00 O ATOM 0 H SER A 9 10.648 -14.585 1.248 1.00 0.00 H new ATOM 0 HA SER A 9 12.845 -12.867 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.626 -15.093 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.140 -14.893 1.427 1.00 0.00 H new ATOM 0 HG SER A 9 14.073 -13.657 3.388 1.00 0.00 H new ATOM 46 N ASN A 10 13.973 -14.906 -1.071 1.00 0.00 N ATOM 47 CA ASN A 10 14.335 -15.762 -2.195 1.00 0.00 C ATOM 48 C ASN A 10 14.610 -17.188 -1.726 1.00 0.00 C ATOM 49 O ASN A 10 14.091 -18.151 -2.292 1.00 0.00 O ATOM 50 CB ASN A 10 15.565 -15.204 -2.913 1.00 0.00 C ATOM 51 CG ASN A 10 15.601 -15.586 -4.381 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.601 -16.371 -4.763 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.739 -15.180 -5.160 1.00 0.00 N flip ATOM 0 H ASN A 10 14.759 -14.419 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 10 13.495 -15.782 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.573 -14.118 -2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.466 -15.571 -2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.988 -14.578 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.775 -15.445 -6.144 1.00 0.00 H new ATOM 60 N THR A 11 15.428 -17.316 -0.686 1.00 0.00 N ATOM 61 CA THR A 11 15.773 -18.623 -0.141 1.00 0.00 C ATOM 62 C THR A 11 15.626 -18.641 1.376 1.00 0.00 C ATOM 63 O THR A 11 16.562 -18.308 2.104 1.00 0.00 O ATOM 64 CB THR A 11 17.213 -19.024 -0.511 1.00 0.00 C ATOM 65 OG1 THR A 11 18.116 -17.962 -0.188 1.00 0.00 O ATOM 66 CG2 THR A 11 17.319 -19.353 -1.993 1.00 0.00 C ATOM 0 H THR A 11 15.864 -16.530 -0.204 1.00 0.00 H new ATOM 0 HA THR A 11 15.080 -19.342 -0.579 1.00 0.00 H new ATOM 0 HB THR A 11 17.478 -19.912 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.934 -17.643 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.345 -19.633 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.652 -20.182 -2.230 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.036 -18.480 -2.581 1.00 0.00 H new ATOM 74 N ARG A 12 14.447 -19.033 1.848 1.00 0.00 N ATOM 75 CA ARG A 12 14.179 -19.094 3.279 1.00 0.00 C ATOM 76 C ARG A 12 12.756 -19.578 3.545 1.00 0.00 C ATOM 77 O ARG A 12 11.786 -18.962 3.101 1.00 0.00 O ATOM 78 CB ARG A 12 14.390 -17.721 3.919 1.00 0.00 C ATOM 79 CG ARG A 12 15.169 -17.770 5.223 1.00 0.00 C ATOM 80 CD ARG A 12 15.644 -16.387 5.640 1.00 0.00 C ATOM 81 NE ARG A 12 16.819 -16.449 6.505 1.00 0.00 N ATOM 82 CZ ARG A 12 16.775 -16.825 7.778 1.00 0.00 C ATOM 83 NH1 ARG A 12 15.621 -17.171 8.332 1.00 0.00 N ATOM 84 NH2 ARG A 12 17.888 -16.856 8.501 1.00 0.00 N ATOM 0 H ARG A 12 13.662 -19.313 1.260 1.00 0.00 H new ATOM 0 HA ARG A 12 14.876 -19.805 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.918 -17.078 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.419 -17.262 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.541 -18.192 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.027 -18.432 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.879 -15.801 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.838 -15.869 6.160 1.00 0.00 H new ATOM 0 HE ARG A 12 17.723 -16.189 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.763 -17.149 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.591 -17.459 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.778 -16.591 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.853 -17.145 9.479 1.00 0.00 H new ATOM 98 N LEU A 13 12.639 -20.683 4.273 1.00 0.00 N ATOM 99 CA LEU A 13 11.334 -21.250 4.598 1.00 0.00 C ATOM 100 C LEU A 13 11.151 -21.363 6.108 1.00 0.00 C ATOM 101 O LEU A 13 11.905 -22.063 6.785 1.00 0.00 O ATOM 102 CB LEU A 13 11.179 -22.627 3.950 1.00 0.00 C ATOM 103 CG LEU A 13 11.870 -22.815 2.599 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.514 -24.166 2.000 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.491 -21.691 1.645 1.00 0.00 C ATOM 0 H LEU A 13 13.431 -21.204 4.649 1.00 0.00 H new ATOM 0 HA LEU A 13 10.567 -20.582 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.565 -23.377 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.115 -22.829 3.823 1.00 0.00 H new ATOM 0 HG LEU A 13 12.948 -22.783 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.015 -24.281 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.836 -24.959 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.435 -24.227 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.992 -21.841 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.412 -21.691 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.798 -20.735 2.069 1.00 0.00 H new ATOM 117 N PHE A 14 10.144 -20.671 6.630 1.00 0.00 N ATOM 118 CA PHE A 14 9.860 -20.695 8.060 1.00 0.00 C ATOM 119 C PHE A 14 8.821 -21.762 8.391 1.00 0.00 C ATOM 120 O PHE A 14 7.681 -21.698 7.933 1.00 0.00 O ATOM 121 CB PHE A 14 9.366 -19.324 8.526 1.00 0.00 C ATOM 122 CG PHE A 14 8.342 -19.397 9.623 1.00 0.00 C ATOM 123 CD1 PHE A 14 8.683 -19.880 10.876 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.039 -18.983 9.400 1.00 0.00 C ATOM 125 CE1 PHE A 14 7.743 -19.948 11.887 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.095 -19.048 10.408 1.00 0.00 C ATOM 127 CZ PHE A 14 6.447 -19.532 11.652 1.00 0.00 C ATOM 0 H PHE A 14 9.511 -20.087 6.084 1.00 0.00 H new ATOM 0 HA PHE A 14 10.784 -20.938 8.584 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.217 -18.739 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.939 -18.792 7.676 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.695 -20.207 11.065 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.757 -18.605 8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.022 -20.326 12.860 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.083 -18.720 10.222 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.710 -19.585 12.440 1.00 0.00 H new ATOM 137 N VAL A 15 9.225 -22.744 9.191 1.00 0.00 N ATOM 138 CA VAL A 15 8.330 -23.826 9.585 1.00 0.00 C ATOM 139 C VAL A 15 7.786 -23.605 10.992 1.00 0.00 C ATOM 140 O VAL A 15 8.279 -22.754 11.732 1.00 0.00 O ATOM 141 CB VAL A 15 9.041 -25.191 9.530 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.036 -26.308 9.296 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.111 -25.191 8.448 1.00 0.00 C ATOM 0 H VAL A 15 10.166 -22.813 9.579 1.00 0.00 H new ATOM 0 HA VAL A 15 7.503 -23.827 8.875 1.00 0.00 H new ATOM 0 HB VAL A 15 9.527 -25.367 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.557 -27.265 9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.310 -26.320 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.519 -26.141 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.603 -26.163 8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.650 -24.993 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.847 -24.417 8.664 1.00 0.00 H new ATOM 153 N ARG A 16 6.768 -24.377 11.355 1.00 0.00 N ATOM 154 CA ARG A 16 6.156 -24.265 12.673 1.00 0.00 C ATOM 155 C ARG A 16 7.022 -24.939 13.734 1.00 0.00 C ATOM 156 O ARG A 16 7.984 -25.645 13.428 1.00 0.00 O ATOM 157 CB ARG A 16 4.760 -24.892 12.667 1.00 0.00 C ATOM 158 CG ARG A 16 3.635 -23.872 12.619 1.00 0.00 C ATOM 159 CD ARG A 16 2.441 -24.321 13.446 1.00 0.00 C ATOM 160 NE ARG A 16 2.040 -25.689 13.131 1.00 0.00 N ATOM 161 CZ ARG A 16 1.067 -26.334 13.764 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.398 -25.738 14.742 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.760 -27.578 13.420 1.00 0.00 N ATOM 0 H ARG A 16 6.349 -25.087 10.755 1.00 0.00 H new ATOM 0 HA ARG A 16 6.070 -23.206 12.916 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.673 -25.557 11.808 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.643 -25.507 13.559 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.996 -22.913 12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.326 -23.718 11.585 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.687 -24.250 14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.603 -23.647 13.268 1.00 0.00 H new ATOM 0 HE ARG A 16 2.534 -26.176 12.384 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.630 -24.782 15.010 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.349 -26.236 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.272 -28.040 12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.012 -28.072 13.907 1.00 0.00 H new ATOM 177 N PRO A 17 6.676 -24.716 15.010 1.00 0.00 N ATOM 178 CA PRO A 17 7.409 -25.293 16.141 1.00 0.00 C ATOM 179 C PRO A 17 7.216 -26.801 16.249 1.00 0.00 C ATOM 180 O PRO A 17 6.089 -27.288 16.348 1.00 0.00 O ATOM 181 CB PRO A 17 6.800 -24.587 17.355 1.00 0.00 C ATOM 182 CG PRO A 17 5.433 -24.190 16.916 1.00 0.00 C ATOM 183 CD PRO A 17 5.542 -23.886 15.448 1.00 0.00 C ATOM 0 HA PRO A 17 8.485 -25.152 16.044 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.761 -25.249 18.220 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.391 -23.718 17.645 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.717 -24.992 17.096 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.083 -23.319 17.470 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.626 -24.144 14.915 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.727 -22.827 15.270 1.00 0.00 H new ATOM 191 N PHE A 18 8.322 -27.538 16.230 1.00 0.00 N ATOM 192 CA PHE A 18 8.274 -28.992 16.325 1.00 0.00 C ATOM 193 C PHE A 18 8.421 -29.448 17.774 1.00 0.00 C ATOM 194 O PHE A 18 8.937 -28.727 18.628 1.00 0.00 O ATOM 195 CB PHE A 18 9.376 -29.617 15.467 1.00 0.00 C ATOM 196 CG PHE A 18 9.217 -29.349 13.998 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.610 -28.137 13.455 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.674 -30.310 13.160 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.466 -27.887 12.103 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.527 -30.066 11.808 1.00 0.00 C ATOM 201 CZ PHE A 18 8.923 -28.853 11.279 1.00 0.00 C ATOM 0 H PHE A 18 9.263 -27.152 16.150 1.00 0.00 H new ATOM 0 HA PHE A 18 7.304 -29.323 15.955 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.342 -29.234 15.795 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.387 -30.694 15.632 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.034 -27.378 14.096 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.362 -31.260 13.568 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.778 -26.938 11.692 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.103 -30.823 11.165 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.808 -28.660 10.223 1.00 0.00 H new ATOM 211 N PRO A 19 7.956 -30.673 18.058 1.00 0.00 N ATOM 212 CA PRO A 19 8.024 -31.253 19.403 1.00 0.00 C ATOM 213 C PRO A 19 9.452 -31.592 19.816 1.00 0.00 C ATOM 214 O PRO A 19 10.414 -31.104 19.222 1.00 0.00 O ATOM 215 CB PRO A 19 7.185 -32.528 19.282 1.00 0.00 C ATOM 216 CG PRO A 19 7.250 -32.889 17.838 1.00 0.00 C ATOM 217 CD PRO A 19 7.328 -31.587 17.089 1.00 0.00 C ATOM 0 HA PRO A 19 7.665 -30.561 20.164 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.585 -33.326 19.908 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.157 -32.357 19.601 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.120 -33.512 17.630 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.371 -33.460 17.538 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.924 -31.681 16.181 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.341 -31.237 16.788 1.00 0.00 H new ATOM 225 N LEU A 20 9.584 -32.432 20.837 1.00 0.00 N ATOM 226 CA LEU A 20 10.896 -32.837 21.330 1.00 0.00 C ATOM 227 C LEU A 20 11.757 -33.385 20.197 1.00 0.00 C ATOM 228 O LEU A 20 12.982 -33.440 20.306 1.00 0.00 O ATOM 229 CB LEU A 20 10.746 -33.891 22.429 1.00 0.00 C ATOM 230 CG LEU A 20 10.008 -35.171 22.034 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.974 -36.182 21.436 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.290 -35.765 23.238 1.00 0.00 C ATOM 0 H LEU A 20 8.799 -32.846 21.339 1.00 0.00 H new ATOM 0 HA LEU A 20 11.390 -31.958 21.744 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.741 -34.163 22.782 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.222 -33.438 23.270 1.00 0.00 H new ATOM 0 HG LEU A 20 9.264 -34.920 21.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.431 -37.086 21.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.443 -35.757 20.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.742 -36.429 22.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.770 -36.675 22.939 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.017 -36.001 24.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.568 -35.045 23.623 1.00 0.00 H new ATOM 244 N ASP A 21 11.109 -33.788 19.110 1.00 0.00 N ATOM 245 CA ASP A 21 11.816 -34.329 17.955 1.00 0.00 C ATOM 246 C ASP A 21 12.215 -33.215 16.991 1.00 0.00 C ATOM 247 O ASP A 21 12.420 -33.454 15.801 1.00 0.00 O ATOM 248 CB ASP A 21 10.945 -35.358 17.233 1.00 0.00 C ATOM 249 CG ASP A 21 11.763 -36.325 16.399 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.998 -36.363 16.576 1.00 0.00 O ATOM 251 OD2 ASP A 21 11.167 -37.044 15.570 1.00 0.00 O ATOM 0 H ASP A 21 10.095 -33.750 19.004 1.00 0.00 H new ATOM 0 HA ASP A 21 12.722 -34.818 18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.364 -35.917 17.967 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.233 -34.840 16.590 1.00 0.00 H new ATOM 256 N VAL A 22 12.321 -31.997 17.514 1.00 0.00 N ATOM 257 CA VAL A 22 12.695 -30.847 16.700 1.00 0.00 C ATOM 258 C VAL A 22 14.192 -30.841 16.410 1.00 0.00 C ATOM 259 O VAL A 22 14.987 -30.350 17.211 1.00 0.00 O ATOM 260 CB VAL A 22 12.312 -29.524 17.390 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.876 -29.474 18.802 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.797 -28.337 16.571 1.00 0.00 C ATOM 0 H VAL A 22 12.153 -31.782 18.497 1.00 0.00 H new ATOM 0 HA VAL A 22 12.147 -30.932 15.762 1.00 0.00 H new ATOM 0 HB VAL A 22 11.225 -29.471 17.457 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.595 -28.532 19.273 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.475 -30.304 19.383 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.963 -29.550 18.763 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.518 -27.410 17.073 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.881 -28.383 16.471 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.339 -28.366 15.582 1.00 0.00 H new ATOM 272 N GLN A 23 14.568 -31.391 15.260 1.00 0.00 N ATOM 273 CA GLN A 23 15.970 -31.449 14.865 1.00 0.00 C ATOM 274 C GLN A 23 16.113 -31.348 13.350 1.00 0.00 C ATOM 275 O GLN A 23 15.130 -31.449 12.617 1.00 0.00 O ATOM 276 CB GLN A 23 16.609 -32.747 15.364 1.00 0.00 C ATOM 277 CG GLN A 23 15.912 -34.000 14.861 1.00 0.00 C ATOM 278 CD GLN A 23 16.386 -35.255 15.568 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.760 -36.238 14.928 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.373 -35.227 16.896 1.00 0.00 N ATOM 0 H GLN A 23 13.922 -31.802 14.586 1.00 0.00 H new ATOM 0 HA GLN A 23 16.484 -30.601 15.318 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.653 -32.772 15.052 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.602 -32.750 16.454 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.836 -33.893 15.000 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.086 -34.103 13.790 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.055 -34.391 17.385 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.681 -36.042 17.426 1.00 0.00 H new ATOM 289 N GLU A 24 17.344 -31.148 12.889 1.00 0.00 N ATOM 290 CA GLU A 24 17.614 -31.032 11.460 1.00 0.00 C ATOM 291 C GLU A 24 17.388 -32.365 10.754 1.00 0.00 C ATOM 292 O GLU A 24 17.174 -32.409 9.542 1.00 0.00 O ATOM 293 CB GLU A 24 19.050 -30.556 11.227 1.00 0.00 C ATOM 294 CG GLU A 24 20.102 -31.571 11.641 1.00 0.00 C ATOM 295 CD GLU A 24 21.492 -31.200 11.161 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.044 -30.197 11.659 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.026 -31.913 10.286 1.00 0.00 O ATOM 0 H GLU A 24 18.169 -31.063 13.483 1.00 0.00 H new ATOM 0 HA GLU A 24 16.923 -30.298 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.179 -30.322 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.212 -29.631 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.108 -31.659 12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.834 -32.550 11.243 1.00 0.00 H new ATOM 304 N SER A 25 17.436 -33.450 11.520 1.00 0.00 N ATOM 305 CA SER A 25 17.241 -34.785 10.968 1.00 0.00 C ATOM 306 C SER A 25 15.925 -34.869 10.200 1.00 0.00 C ATOM 307 O SER A 25 15.891 -35.314 9.053 1.00 0.00 O ATOM 308 CB SER A 25 17.260 -35.830 12.085 1.00 0.00 C ATOM 309 OG SER A 25 17.534 -37.122 11.571 1.00 0.00 O ATOM 0 H SER A 25 17.608 -33.430 12.525 1.00 0.00 H new ATOM 0 HA SER A 25 18.059 -34.988 10.276 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.014 -35.562 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.298 -35.836 12.598 1.00 0.00 H new ATOM 0 HG SER A 25 17.542 -37.771 12.305 1.00 0.00 H new ATOM 315 N GLU A 26 14.844 -34.436 10.842 1.00 0.00 N ATOM 316 CA GLU A 26 13.526 -34.463 10.220 1.00 0.00 C ATOM 317 C GLU A 26 13.435 -33.437 9.094 1.00 0.00 C ATOM 318 O GLU A 26 12.809 -33.685 8.062 1.00 0.00 O ATOM 319 CB GLU A 26 12.440 -34.189 11.263 1.00 0.00 C ATOM 320 CG GLU A 26 12.737 -32.993 12.151 1.00 0.00 C ATOM 321 CD GLU A 26 11.479 -32.330 12.678 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.534 -32.137 11.884 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.439 -32.005 13.883 1.00 0.00 O ATOM 0 H GLU A 26 14.855 -34.063 11.791 1.00 0.00 H new ATOM 0 HA GLU A 26 13.372 -35.456 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.491 -34.025 10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.317 -35.073 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.353 -33.313 12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.319 -32.263 11.588 1.00 0.00 H new ATOM 330 N LEU A 27 14.063 -32.285 9.299 1.00 0.00 N ATOM 331 CA LEU A 27 14.053 -31.220 8.302 1.00 0.00 C ATOM 332 C LEU A 27 14.739 -31.671 7.016 1.00 0.00 C ATOM 333 O LEU A 27 14.302 -31.336 5.917 1.00 0.00 O ATOM 334 CB LEU A 27 14.747 -29.973 8.852 1.00 0.00 C ATOM 335 CG LEU A 27 14.110 -29.343 10.092 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.248 -27.829 10.052 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.646 -29.744 10.202 1.00 0.00 C ATOM 0 H LEU A 27 14.586 -32.064 10.147 1.00 0.00 H new ATOM 0 HA LEU A 27 13.015 -30.980 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.779 -30.231 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.779 -29.222 8.063 1.00 0.00 H new ATOM 0 HG LEU A 27 14.634 -29.712 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.789 -27.398 10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.304 -27.561 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.750 -27.442 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.209 -29.287 11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.108 -29.404 9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.571 -30.829 10.278 1.00 0.00 H new ATOM 349 N ASN A 28 15.816 -32.436 7.164 1.00 0.00 N ATOM 350 CA ASN A 28 16.562 -32.936 6.014 1.00 0.00 C ATOM 351 C ASN A 28 15.808 -34.070 5.328 1.00 0.00 C ATOM 352 O ASN A 28 15.765 -34.145 4.100 1.00 0.00 O ATOM 353 CB ASN A 28 17.947 -33.419 6.450 1.00 0.00 C ATOM 354 CG ASN A 28 18.965 -32.296 6.490 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.912 -32.273 5.703 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.775 -31.357 7.409 1.00 0.00 N ATOM 0 H ASN A 28 16.192 -32.723 8.068 1.00 0.00 H new ATOM 0 HA ASN A 28 16.677 -32.118 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.875 -33.876 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.291 -34.193 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.428 -30.577 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.976 -31.416 8.041 1.00 0.00 H new ATOM 363 N GLU A 29 15.215 -34.950 6.129 1.00 0.00 N ATOM 364 CA GLU A 29 14.463 -36.080 5.598 1.00 0.00 C ATOM 365 C GLU A 29 13.131 -35.620 5.012 1.00 0.00 C ATOM 366 O GLU A 29 12.514 -36.328 4.215 1.00 0.00 O ATOM 367 CB GLU A 29 14.218 -37.119 6.694 1.00 0.00 C ATOM 368 CG GLU A 29 15.495 -37.680 7.296 1.00 0.00 C ATOM 369 CD GLU A 29 16.059 -38.838 6.495 1.00 0.00 C ATOM 370 OE1 GLU A 29 16.277 -38.667 5.278 1.00 0.00 O ATOM 371 OE2 GLU A 29 16.281 -39.915 7.087 1.00 0.00 O ATOM 0 H GLU A 29 15.241 -34.902 7.148 1.00 0.00 H new ATOM 0 HA GLU A 29 15.053 -36.534 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.621 -36.666 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.630 -37.939 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.242 -36.888 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.297 -38.011 8.315 1.00 0.00 H new ATOM 378 N ILE A 30 12.694 -34.431 5.413 1.00 0.00 N ATOM 379 CA ILE A 30 11.436 -33.876 4.927 1.00 0.00 C ATOM 380 C ILE A 30 11.668 -32.935 3.750 1.00 0.00 C ATOM 381 O ILE A 30 11.070 -33.095 2.686 1.00 0.00 O ATOM 382 CB ILE A 30 10.690 -33.115 6.039 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.164 -34.093 7.092 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.550 -32.299 5.450 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.870 -33.444 8.426 1.00 0.00 C ATOM 0 H ILE A 30 13.192 -33.833 6.073 1.00 0.00 H new ATOM 0 HA ILE A 30 10.825 -34.718 4.601 1.00 0.00 H new ATOM 0 HB ILE A 30 11.388 -32.431 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.255 -34.563 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.897 -34.887 7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.033 -31.767 6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.949 -31.580 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.850 -32.964 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.501 -34.196 9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.782 -32.998 8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.115 -32.669 8.295 1.00 0.00 H new ATOM 397 N PHE A 31 12.542 -31.954 3.948 1.00 0.00 N ATOM 398 CA PHE A 31 12.855 -30.986 2.903 1.00 0.00 C ATOM 399 C PHE A 31 13.928 -31.529 1.963 1.00 0.00 C ATOM 400 O PHE A 31 14.313 -30.871 0.997 1.00 0.00 O ATOM 401 CB PHE A 31 13.323 -29.668 3.522 1.00 0.00 C ATOM 402 CG PHE A 31 12.246 -28.947 4.281 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.788 -29.437 5.494 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.691 -27.779 3.783 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.797 -28.776 6.194 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.699 -27.114 4.479 1.00 0.00 C ATOM 407 CZ PHE A 31 10.253 -27.612 5.687 1.00 0.00 C ATOM 0 H PHE A 31 13.046 -31.808 4.823 1.00 0.00 H new ATOM 0 HA PHE A 31 11.948 -30.806 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.158 -29.867 4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.697 -29.017 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.211 -30.346 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.038 -27.384 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.448 -29.169 7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.273 -26.206 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.480 -27.093 6.234 1.00 0.00 H new ATOM 417 N GLY A 32 14.408 -32.734 2.255 1.00 0.00 N ATOM 418 CA GLY A 32 15.433 -33.345 1.429 1.00 0.00 C ATOM 419 C GLY A 32 15.028 -33.426 -0.030 1.00 0.00 C ATOM 420 O GLY A 32 15.679 -32.862 -0.909 1.00 0.00 O ATOM 0 H GLY A 32 14.105 -33.298 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.356 -32.771 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.645 -34.348 1.800 1.00 0.00 H new ATOM 424 N PRO A 33 13.929 -34.145 -0.304 1.00 0.00 N ATOM 425 CA PRO A 33 13.415 -34.316 -1.666 1.00 0.00 C ATOM 426 C PRO A 33 12.832 -33.026 -2.232 1.00 0.00 C ATOM 427 O PRO A 33 11.651 -32.965 -2.574 1.00 0.00 O ATOM 428 CB PRO A 33 12.319 -35.372 -1.501 1.00 0.00 C ATOM 429 CG PRO A 33 11.880 -35.243 -0.083 1.00 0.00 C ATOM 430 CD PRO A 33 13.104 -34.845 0.694 1.00 0.00 C ATOM 0 HA PRO A 33 14.200 -34.603 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.492 -35.196 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.699 -36.372 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.094 -34.494 0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.472 -36.184 0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.854 -34.197 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.620 -35.713 1.104 1.00 0.00 H new ATOM 438 N PHE A 34 13.667 -31.997 -2.329 1.00 0.00 N ATOM 439 CA PHE A 34 13.234 -30.707 -2.854 1.00 0.00 C ATOM 440 C PHE A 34 14.388 -29.984 -3.542 1.00 0.00 C ATOM 441 O PHE A 34 14.218 -29.396 -4.609 1.00 0.00 O ATOM 442 CB PHE A 34 12.671 -29.838 -1.728 1.00 0.00 C ATOM 443 CG PHE A 34 11.256 -30.178 -1.357 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.312 -30.436 -2.338 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.869 -30.239 -0.028 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.009 -30.750 -2.001 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.568 -30.553 0.315 1.00 0.00 C ATOM 448 CZ PHE A 34 8.636 -30.807 -0.673 1.00 0.00 C ATOM 0 H PHE A 34 14.648 -32.031 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 34 12.451 -30.887 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.304 -29.944 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.717 -28.792 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.598 -30.391 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.592 -30.039 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.284 -30.951 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.280 -30.600 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.618 -31.050 -0.407 1.00 0.00 H new ATOM 458 N GLY A 35 15.563 -30.034 -2.922 1.00 0.00 N ATOM 459 CA GLY A 35 16.728 -29.379 -3.487 1.00 0.00 C ATOM 460 C GLY A 35 17.884 -29.306 -2.509 1.00 0.00 C ATOM 461 O GLY A 35 17.776 -29.722 -1.356 1.00 0.00 O ATOM 0 H GLY A 35 15.729 -30.516 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.046 -29.917 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.458 -28.371 -3.801 1.00 0.00 H new ATOM 465 N PRO A 36 19.023 -28.769 -2.972 1.00 0.00 N ATOM 466 CA PRO A 36 20.226 -28.631 -2.146 1.00 0.00 C ATOM 467 C PRO A 36 20.061 -27.583 -1.051 1.00 0.00 C ATOM 468 O PRO A 36 20.431 -26.423 -1.228 1.00 0.00 O ATOM 469 CB PRO A 36 21.296 -28.193 -3.148 1.00 0.00 C ATOM 470 CG PRO A 36 20.538 -27.530 -4.246 1.00 0.00 C ATOM 471 CD PRO A 36 19.223 -28.253 -4.336 1.00 0.00 C ATOM 0 HA PRO A 36 20.467 -29.555 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.010 -27.508 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.864 -29.046 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.388 -26.472 -4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.082 -27.591 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.416 -27.584 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.257 -29.059 -5.069 1.00 0.00 H new ATOM 479 N MET A 37 19.503 -28.000 0.082 1.00 0.00 N ATOM 480 CA MET A 37 19.291 -27.096 1.206 1.00 0.00 C ATOM 481 C MET A 37 20.615 -26.520 1.698 1.00 0.00 C ATOM 482 O MET A 37 21.428 -27.226 2.295 1.00 0.00 O ATOM 483 CB MET A 37 18.584 -27.827 2.349 1.00 0.00 C ATOM 484 CG MET A 37 19.131 -29.221 2.610 1.00 0.00 C ATOM 485 SD MET A 37 19.425 -29.536 4.360 1.00 0.00 S ATOM 486 CE MET A 37 21.151 -29.080 4.501 1.00 0.00 C ATOM 0 H MET A 37 19.190 -28.957 0.245 1.00 0.00 H new ATOM 0 HA MET A 37 18.662 -26.274 0.865 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.674 -27.234 3.259 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.521 -27.900 2.120 1.00 0.00 H new ATOM 0 HG2 MET A 37 18.429 -29.960 2.225 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.063 -29.350 2.060 1.00 0.00 H new ATOM 0 HE1 MET A 37 21.590 -29.580 5.365 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.682 -29.382 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.233 -28.000 4.626 1.00 0.00 H new ATOM 496 N LYS A 38 20.826 -25.233 1.444 1.00 0.00 N ATOM 497 CA LYS A 38 22.051 -24.561 1.861 1.00 0.00 C ATOM 498 C LYS A 38 22.274 -24.719 3.362 1.00 0.00 C ATOM 499 O LYS A 38 23.395 -24.954 3.810 1.00 0.00 O ATOM 500 CB LYS A 38 21.991 -23.076 1.497 1.00 0.00 C ATOM 501 CG LYS A 38 22.919 -22.691 0.358 1.00 0.00 C ATOM 502 CD LYS A 38 24.111 -21.891 0.855 1.00 0.00 C ATOM 503 CE LYS A 38 23.854 -20.395 0.767 1.00 0.00 C ATOM 504 NZ LYS A 38 25.054 -19.653 0.289 1.00 0.00 N ATOM 0 H LYS A 38 20.164 -24.634 0.951 1.00 0.00 H new ATOM 0 HA LYS A 38 22.887 -25.024 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 38 20.968 -22.819 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 38 22.244 -22.484 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.269 -23.591 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 38 22.369 -22.106 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.328 -22.164 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.992 -22.145 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.019 -20.209 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.561 -20.019 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.838 -18.637 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 25.844 -19.810 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 25.319 -19.994 -0.657 1.00 0.00 H new ATOM 518 N GLU A 39 21.198 -24.588 4.132 1.00 0.00 N ATOM 519 CA GLU A 39 21.279 -24.717 5.583 1.00 0.00 C ATOM 520 C GLU A 39 19.887 -24.859 6.194 1.00 0.00 C ATOM 521 O GLU A 39 18.880 -24.578 5.544 1.00 0.00 O ATOM 522 CB GLU A 39 21.992 -23.506 6.186 1.00 0.00 C ATOM 523 CG GLU A 39 22.835 -23.840 7.405 1.00 0.00 C ATOM 524 CD GLU A 39 23.861 -24.921 7.126 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.586 -24.805 6.116 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.940 -25.882 7.919 1.00 0.00 O ATOM 0 H GLU A 39 20.262 -24.393 3.777 1.00 0.00 H new ATOM 0 HA GLU A 39 21.851 -25.616 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.630 -23.055 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 39 21.249 -22.758 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.345 -22.940 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.182 -24.164 8.216 1.00 0.00 H new ATOM 533 N VAL A 40 19.840 -25.298 7.448 1.00 0.00 N ATOM 534 CA VAL A 40 18.574 -25.477 8.148 1.00 0.00 C ATOM 535 C VAL A 40 18.709 -25.125 9.625 1.00 0.00 C ATOM 536 O VAL A 40 19.626 -25.587 10.304 1.00 0.00 O ATOM 537 CB VAL A 40 18.062 -26.924 8.021 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.439 -27.152 6.652 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.191 -27.912 8.273 1.00 0.00 C ATOM 0 H VAL A 40 20.664 -25.536 8.000 1.00 0.00 H new ATOM 0 HA VAL A 40 17.856 -24.803 7.681 1.00 0.00 H new ATOM 0 HB VAL A 40 17.292 -27.086 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.083 -28.180 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.602 -26.468 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.185 -26.972 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.812 -28.930 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 40 19.984 -27.752 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 19.587 -27.763 9.278 1.00 0.00 H new ATOM 549 N LYS A 41 17.788 -24.304 10.118 1.00 0.00 N ATOM 550 CA LYS A 41 17.800 -23.891 11.517 1.00 0.00 C ATOM 551 C LYS A 41 16.600 -24.461 12.264 1.00 0.00 C ATOM 552 O LYS A 41 15.477 -24.447 11.757 1.00 0.00 O ATOM 553 CB LYS A 41 17.799 -22.364 11.618 1.00 0.00 C ATOM 554 CG LYS A 41 18.611 -21.681 10.531 1.00 0.00 C ATOM 555 CD LYS A 41 20.069 -22.111 10.571 1.00 0.00 C ATOM 556 CE LYS A 41 20.782 -21.549 11.792 1.00 0.00 C ATOM 557 NZ LYS A 41 21.777 -22.509 12.343 1.00 0.00 N ATOM 0 H LYS A 41 17.023 -23.911 9.569 1.00 0.00 H new ATOM 0 HA LYS A 41 18.709 -24.280 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.771 -22.006 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.193 -22.073 12.591 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.187 -21.919 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.546 -20.600 10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.128 -23.199 10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.574 -21.774 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.284 -20.619 11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.049 -21.305 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.241 -22.089 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.294 -23.387 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.492 -22.723 11.618 1.00 0.00 H new ATOM 571 N ILE A 42 16.843 -24.961 13.471 1.00 0.00 N ATOM 572 CA ILE A 42 15.780 -25.534 14.288 1.00 0.00 C ATOM 573 C ILE A 42 15.850 -25.017 15.721 1.00 0.00 C ATOM 574 O ILE A 42 16.763 -25.361 16.473 1.00 0.00 O ATOM 575 CB ILE A 42 15.850 -27.072 14.305 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.303 -27.540 14.199 1.00 0.00 C ATOM 577 CG2 ILE A 42 15.017 -27.653 13.173 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.766 -27.752 12.774 1.00 0.00 C ATOM 0 H ILE A 42 17.766 -24.981 13.905 1.00 0.00 H new ATOM 0 HA ILE A 42 14.836 -25.227 13.839 1.00 0.00 H new ATOM 0 HB ILE A 42 15.441 -27.429 15.251 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.949 -26.804 14.677 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.418 -28.472 14.752 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.077 -28.741 13.199 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.978 -27.344 13.290 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.398 -27.291 12.218 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.805 -28.083 12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.144 -28.510 12.298 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.684 -26.816 12.222 1.00 0.00 H new ATOM 590 N LEU A 43 14.879 -24.191 16.094 1.00 0.00 N ATOM 591 CA LEU A 43 14.828 -23.627 17.439 1.00 0.00 C ATOM 592 C LEU A 43 13.498 -23.948 18.114 1.00 0.00 C ATOM 593 O LEU A 43 12.453 -23.975 17.466 1.00 0.00 O ATOM 594 CB LEU A 43 15.033 -22.112 17.386 1.00 0.00 C ATOM 595 CG LEU A 43 16.205 -21.623 16.534 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.929 -20.227 15.998 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.495 -21.642 17.340 1.00 0.00 C ATOM 0 H LEU A 43 14.116 -23.897 15.484 1.00 0.00 H new ATOM 0 HA LEU A 43 15.630 -24.076 18.025 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.119 -21.655 17.007 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.173 -21.749 18.404 1.00 0.00 H new ATOM 0 HG LEU A 43 16.320 -22.299 15.687 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.774 -19.896 15.394 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.029 -20.244 15.384 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.786 -19.539 16.831 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.318 -21.291 16.718 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.392 -20.990 18.207 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.701 -22.659 17.674 1.00 0.00 H new ATOM 609 N ASN A 44 13.547 -24.190 19.420 1.00 0.00 N ATOM 610 CA ASN A 44 12.345 -24.507 20.183 1.00 0.00 C ATOM 611 C ASN A 44 11.324 -23.378 20.086 1.00 0.00 C ATOM 612 O ASN A 44 11.370 -22.418 20.854 1.00 0.00 O ATOM 613 CB ASN A 44 12.701 -24.763 21.649 1.00 0.00 C ATOM 614 CG ASN A 44 11.799 -25.801 22.290 1.00 0.00 C ATOM 615 OD1 ASN A 44 11.053 -25.500 23.222 1.00 0.00 O ATOM 616 ND2 ASN A 44 11.864 -27.030 21.792 1.00 0.00 N ATOM 0 H ASN A 44 14.405 -24.173 19.971 1.00 0.00 H new ATOM 0 HA ASN A 44 11.903 -25.409 19.759 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.737 -25.095 21.716 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.629 -23.829 22.206 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.281 -27.770 22.183 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.497 -27.234 21.019 1.00 0.00 H new ATOM 623 N GLY A 45 10.403 -23.501 19.135 1.00 0.00 N ATOM 624 CA GLY A 45 9.383 -22.484 18.954 1.00 0.00 C ATOM 625 C GLY A 45 9.173 -22.126 17.497 1.00 0.00 C ATOM 626 O GLY A 45 8.117 -21.618 17.121 1.00 0.00 O ATOM 0 H GLY A 45 10.345 -24.286 18.487 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.443 -22.838 19.377 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.665 -21.589 19.508 1.00 0.00 H new ATOM 630 N PHE A 46 10.182 -22.390 16.673 1.00 0.00 N ATOM 631 CA PHE A 46 10.104 -22.090 15.248 1.00 0.00 C ATOM 632 C PHE A 46 11.240 -22.767 14.487 1.00 0.00 C ATOM 633 O PHE A 46 12.302 -23.038 15.047 1.00 0.00 O ATOM 634 CB PHE A 46 10.153 -20.578 15.020 1.00 0.00 C ATOM 635 CG PHE A 46 10.821 -19.825 16.135 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.141 -20.082 16.469 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.130 -18.860 16.849 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.758 -19.392 17.494 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.742 -18.166 17.876 1.00 0.00 C ATOM 640 CZ PHE A 46 12.058 -18.431 18.198 1.00 0.00 C ATOM 0 H PHE A 46 11.063 -22.811 16.968 1.00 0.00 H new ATOM 0 HA PHE A 46 9.157 -22.477 14.872 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.681 -20.376 14.088 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.137 -20.204 14.898 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.694 -20.831 15.921 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.101 -18.647 16.600 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.787 -19.603 17.745 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.191 -17.417 18.426 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.539 -17.888 18.998 1.00 0.00 H new ATOM 650 N ALA A 47 11.008 -23.038 13.206 1.00 0.00 N ATOM 651 CA ALA A 47 12.011 -23.681 12.367 1.00 0.00 C ATOM 652 C ALA A 47 12.275 -22.867 11.105 1.00 0.00 C ATOM 653 O ALA A 47 11.426 -22.092 10.665 1.00 0.00 O ATOM 654 CB ALA A 47 11.570 -25.092 12.005 1.00 0.00 C ATOM 0 H ALA A 47 10.134 -22.822 12.727 1.00 0.00 H new ATOM 0 HA ALA A 47 12.941 -23.736 12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.329 -25.561 11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.439 -25.677 12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.626 -25.050 11.462 1.00 0.00 H new ATOM 660 N PHE A 48 13.458 -23.048 10.527 1.00 0.00 N ATOM 661 CA PHE A 48 13.835 -22.328 9.316 1.00 0.00 C ATOM 662 C PHE A 48 14.627 -23.229 8.373 1.00 0.00 C ATOM 663 O PHE A 48 15.389 -24.090 8.812 1.00 0.00 O ATOM 664 CB PHE A 48 14.661 -21.090 9.669 1.00 0.00 C ATOM 665 CG PHE A 48 14.024 -20.224 10.718 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.939 -19.419 10.406 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.509 -20.213 12.016 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.351 -18.621 11.369 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.924 -19.418 12.983 1.00 0.00 C ATOM 670 CZ PHE A 48 12.844 -18.620 12.659 1.00 0.00 C ATOM 0 H PHE A 48 14.172 -23.687 10.877 1.00 0.00 H new ATOM 0 HA PHE A 48 12.922 -22.015 8.810 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.644 -21.406 10.018 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.818 -20.498 8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.549 -19.416 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.354 -20.833 12.275 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.506 -17.999 11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.311 -19.421 13.991 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.386 -17.997 13.413 1.00 0.00 H new ATOM 680 N VAL A 49 14.440 -23.024 7.073 1.00 0.00 N ATOM 681 CA VAL A 49 15.136 -23.816 6.066 1.00 0.00 C ATOM 682 C VAL A 49 15.551 -22.954 4.879 1.00 0.00 C ATOM 683 O VAL A 49 14.706 -22.440 4.148 1.00 0.00 O ATOM 684 CB VAL A 49 14.260 -24.978 5.561 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.003 -25.791 4.512 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.825 -25.860 6.722 1.00 0.00 C ATOM 0 H VAL A 49 13.812 -22.316 6.692 1.00 0.00 H new ATOM 0 HA VAL A 49 16.027 -24.224 6.544 1.00 0.00 H new ATOM 0 HB VAL A 49 13.366 -24.561 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.368 -26.607 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.259 -25.150 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.915 -26.200 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.207 -26.676 6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.705 -26.270 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.251 -25.267 7.434 1.00 0.00 H new ATOM 696 N GLU A 50 16.859 -22.802 4.694 1.00 0.00 N ATOM 697 CA GLU A 50 17.386 -22.002 3.595 1.00 0.00 C ATOM 698 C GLU A 50 17.875 -22.894 2.457 1.00 0.00 C ATOM 699 O GLU A 50 18.863 -23.614 2.599 1.00 0.00 O ATOM 700 CB GLU A 50 18.528 -21.110 4.086 1.00 0.00 C ATOM 701 CG GLU A 50 19.126 -20.232 2.999 1.00 0.00 C ATOM 702 CD GLU A 50 20.016 -19.139 3.556 1.00 0.00 C ATOM 703 OE1 GLU A 50 21.102 -19.467 4.078 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.627 -17.955 3.470 1.00 0.00 O ATOM 0 H GLU A 50 17.572 -23.222 5.290 1.00 0.00 H new ATOM 0 HA GLU A 50 16.579 -21.373 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.161 -20.475 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.313 -21.738 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.704 -20.852 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.322 -19.780 2.419 1.00 0.00 H new ATOM 711 N PHE A 51 17.175 -22.841 1.329 1.00 0.00 N ATOM 712 CA PHE A 51 17.535 -23.646 0.167 1.00 0.00 C ATOM 713 C PHE A 51 18.553 -22.916 -0.704 1.00 0.00 C ATOM 714 O PHE A 51 18.517 -21.692 -0.825 1.00 0.00 O ATOM 715 CB PHE A 51 16.289 -23.980 -0.655 1.00 0.00 C ATOM 716 CG PHE A 51 15.623 -25.261 -0.240 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.250 -26.480 -0.441 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.370 -25.245 0.352 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.639 -27.660 -0.061 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.754 -26.422 0.734 1.00 0.00 C ATOM 721 CZ PHE A 51 14.390 -27.631 0.529 1.00 0.00 C ATOM 0 H PHE A 51 16.355 -22.249 1.194 1.00 0.00 H new ATOM 0 HA PHE A 51 17.985 -24.573 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.574 -23.162 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.565 -24.048 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.227 -26.508 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.869 -24.302 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.137 -28.604 -0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.776 -26.396 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.912 -28.552 0.829 1.00 0.00 H new ATOM 731 N GLU A 52 19.459 -23.677 -1.310 1.00 0.00 N ATOM 732 CA GLU A 52 20.488 -23.102 -2.169 1.00 0.00 C ATOM 733 C GLU A 52 19.894 -22.650 -3.500 1.00 0.00 C ATOM 734 O GLU A 52 20.590 -22.079 -4.339 1.00 0.00 O ATOM 735 CB GLU A 52 21.605 -24.119 -2.415 1.00 0.00 C ATOM 736 CG GLU A 52 22.865 -23.507 -3.003 1.00 0.00 C ATOM 737 CD GLU A 52 22.935 -23.652 -4.511 1.00 0.00 C ATOM 738 OE1 GLU A 52 22.763 -24.785 -5.006 1.00 0.00 O ATOM 739 OE2 GLU A 52 23.162 -22.632 -5.195 1.00 0.00 O ATOM 0 H GLU A 52 19.501 -24.692 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 52 20.905 -22.232 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.854 -24.608 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.238 -24.893 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.907 -22.450 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.738 -23.982 -2.555 1.00 0.00 H new ATOM 746 N GLU A 53 18.604 -22.911 -3.685 1.00 0.00 N ATOM 747 CA GLU A 53 17.917 -22.533 -4.915 1.00 0.00 C ATOM 748 C GLU A 53 16.532 -21.969 -4.613 1.00 0.00 C ATOM 749 O GLU A 53 15.704 -22.630 -3.986 1.00 0.00 O ATOM 750 CB GLU A 53 17.797 -23.738 -5.850 1.00 0.00 C ATOM 751 CG GLU A 53 19.043 -23.990 -6.681 1.00 0.00 C ATOM 752 CD GLU A 53 18.795 -24.949 -7.829 1.00 0.00 C ATOM 753 OE1 GLU A 53 17.867 -24.693 -8.625 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.527 -25.955 -7.932 1.00 0.00 O ATOM 0 H GLU A 53 18.014 -23.382 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 53 18.506 -21.759 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.580 -24.627 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.950 -23.586 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.409 -23.043 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.828 -24.392 -6.040 1.00 0.00 H new ATOM 761 N ALA A 54 16.288 -20.743 -5.063 1.00 0.00 N ATOM 762 CA ALA A 54 15.003 -20.090 -4.843 1.00 0.00 C ATOM 763 C ALA A 54 13.848 -20.999 -5.249 1.00 0.00 C ATOM 764 O ALA A 54 12.841 -21.088 -4.549 1.00 0.00 O ATOM 765 CB ALA A 54 14.939 -18.778 -5.610 1.00 0.00 C ATOM 0 H ALA A 54 16.963 -20.182 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 54 14.908 -19.880 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.974 -18.302 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.736 -18.118 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.061 -18.973 -6.675 1.00 0.00 H new ATOM 771 N GLU A 55 14.003 -21.672 -6.385 1.00 0.00 N ATOM 772 CA GLU A 55 12.971 -22.574 -6.884 1.00 0.00 C ATOM 773 C GLU A 55 12.641 -23.648 -5.852 1.00 0.00 C ATOM 774 O GLU A 55 11.475 -23.881 -5.533 1.00 0.00 O ATOM 775 CB GLU A 55 13.423 -23.228 -8.191 1.00 0.00 C ATOM 776 CG GLU A 55 12.287 -23.856 -8.982 1.00 0.00 C ATOM 777 CD GLU A 55 12.770 -24.571 -10.229 1.00 0.00 C ATOM 778 OE1 GLU A 55 14.001 -24.680 -10.411 1.00 0.00 O ATOM 779 OE2 GLU A 55 11.918 -25.020 -11.023 1.00 0.00 O ATOM 0 H GLU A 55 14.832 -21.610 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 55 12.072 -21.987 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.916 -22.479 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.165 -23.994 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.754 -24.563 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.574 -23.081 -9.265 1.00 0.00 H new ATOM 786 N SER A 56 13.677 -24.301 -5.334 1.00 0.00 N ATOM 787 CA SER A 56 13.499 -25.354 -4.342 1.00 0.00 C ATOM 788 C SER A 56 12.764 -24.825 -3.114 1.00 0.00 C ATOM 789 O SER A 56 11.968 -25.535 -2.500 1.00 0.00 O ATOM 790 CB SER A 56 14.855 -25.930 -3.929 1.00 0.00 C ATOM 791 OG SER A 56 15.471 -26.608 -5.010 1.00 0.00 O ATOM 0 H SER A 56 14.649 -24.119 -5.585 1.00 0.00 H new ATOM 0 HA SER A 56 12.898 -26.144 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.505 -25.126 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.723 -26.617 -3.093 1.00 0.00 H new ATOM 0 HG SER A 56 15.055 -27.488 -5.124 1.00 0.00 H new ATOM 797 N ALA A 57 13.036 -23.572 -2.764 1.00 0.00 N ATOM 798 CA ALA A 57 12.400 -22.946 -1.611 1.00 0.00 C ATOM 799 C ALA A 57 10.938 -22.625 -1.899 1.00 0.00 C ATOM 800 O ALA A 57 10.047 -23.011 -1.143 1.00 0.00 O ATOM 801 CB ALA A 57 13.152 -21.684 -1.215 1.00 0.00 C ATOM 0 H ALA A 57 13.692 -22.971 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 57 12.433 -23.651 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.667 -21.227 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.181 -21.938 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.148 -20.982 -2.048 1.00 0.00 H new ATOM 807 N ALA A 58 10.697 -21.914 -2.996 1.00 0.00 N ATOM 808 CA ALA A 58 9.342 -21.542 -3.384 1.00 0.00 C ATOM 809 C ALA A 58 8.443 -22.769 -3.483 1.00 0.00 C ATOM 810 O ALA A 58 7.252 -22.705 -3.179 1.00 0.00 O ATOM 811 CB ALA A 58 9.360 -20.789 -4.706 1.00 0.00 C ATOM 0 H ALA A 58 11.423 -21.584 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 58 8.936 -20.889 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.342 -20.517 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.961 -19.886 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.790 -21.424 -5.481 1.00 0.00 H new ATOM 817 N LYS A 59 9.021 -23.887 -3.911 1.00 0.00 N ATOM 818 CA LYS A 59 8.272 -25.131 -4.050 1.00 0.00 C ATOM 819 C LYS A 59 8.033 -25.777 -2.690 1.00 0.00 C ATOM 820 O LYS A 59 6.898 -26.087 -2.330 1.00 0.00 O ATOM 821 CB LYS A 59 9.023 -26.102 -4.964 1.00 0.00 C ATOM 822 CG LYS A 59 8.767 -25.868 -6.442 1.00 0.00 C ATOM 823 CD LYS A 59 7.504 -26.573 -6.908 1.00 0.00 C ATOM 824 CE LYS A 59 7.215 -26.288 -8.374 1.00 0.00 C ATOM 825 NZ LYS A 59 6.694 -24.908 -8.578 1.00 0.00 N ATOM 0 H LYS A 59 10.006 -23.957 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 59 7.305 -24.897 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.092 -26.016 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.735 -27.122 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.679 -24.798 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.619 -26.225 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.610 -27.648 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.660 -26.249 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.126 -26.422 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.489 -27.010 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.461 -24.770 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.839 -24.771 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.418 -24.218 -8.292 1.00 0.00 H new ATOM 839 N ALA A 60 9.110 -25.976 -1.937 1.00 0.00 N ATOM 840 CA ALA A 60 9.016 -26.582 -0.614 1.00 0.00 C ATOM 841 C ALA A 60 7.966 -25.879 0.239 1.00 0.00 C ATOM 842 O ALA A 60 7.304 -26.506 1.067 1.00 0.00 O ATOM 843 CB ALA A 60 10.370 -26.549 0.078 1.00 0.00 C ATOM 0 H ALA A 60 10.058 -25.727 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 60 8.709 -27.620 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.286 -27.004 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.096 -27.103 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.700 -25.515 0.183 1.00 0.00 H new ATOM 849 N ILE A 61 7.819 -24.575 0.032 1.00 0.00 N ATOM 850 CA ILE A 61 6.849 -23.787 0.782 1.00 0.00 C ATOM 851 C ILE A 61 5.422 -24.213 0.452 1.00 0.00 C ATOM 852 O ILE A 61 4.570 -24.300 1.336 1.00 0.00 O ATOM 853 CB ILE A 61 7.003 -22.282 0.495 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.354 -21.779 1.007 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.864 -21.502 1.134 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.855 -20.549 0.282 1.00 0.00 C ATOM 0 H ILE A 61 8.359 -24.042 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 61 7.045 -23.968 1.839 1.00 0.00 H new ATOM 0 HB ILE A 61 6.964 -22.126 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.270 -21.555 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.091 -22.576 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.987 -20.440 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.914 -21.846 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.874 -21.661 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.817 -20.249 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.972 -20.774 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.138 -19.737 0.404 1.00 0.00 H new ATOM 868 N GLU A 62 5.171 -24.479 -0.826 1.00 0.00 N ATOM 869 CA GLU A 62 3.847 -24.897 -1.272 1.00 0.00 C ATOM 870 C GLU A 62 3.696 -26.413 -1.182 1.00 0.00 C ATOM 871 O GLU A 62 2.596 -26.946 -1.320 1.00 0.00 O ATOM 872 CB GLU A 62 3.598 -24.433 -2.709 1.00 0.00 C ATOM 873 CG GLU A 62 3.042 -23.023 -2.805 1.00 0.00 C ATOM 874 CD GLU A 62 1.556 -22.960 -2.508 1.00 0.00 C ATOM 875 OE1 GLU A 62 0.799 -23.760 -3.098 1.00 0.00 O ATOM 876 OE2 GLU A 62 1.150 -22.112 -1.687 1.00 0.00 O ATOM 0 H GLU A 62 5.866 -24.413 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 62 3.109 -24.436 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.534 -24.484 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.903 -25.122 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.576 -22.378 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.226 -22.631 -3.806 1.00 0.00 H new ATOM 883 N GLU A 63 4.810 -27.100 -0.950 1.00 0.00 N ATOM 884 CA GLU A 63 4.802 -28.554 -0.843 1.00 0.00 C ATOM 885 C GLU A 63 4.687 -28.992 0.614 1.00 0.00 C ATOM 886 O GLU A 63 3.695 -29.602 1.015 1.00 0.00 O ATOM 887 CB GLU A 63 6.071 -29.141 -1.464 1.00 0.00 C ATOM 888 CG GLU A 63 6.214 -28.847 -2.948 1.00 0.00 C ATOM 889 CD GLU A 63 5.620 -29.937 -3.819 1.00 0.00 C ATOM 890 OE1 GLU A 63 5.783 -31.126 -3.475 1.00 0.00 O ATOM 891 OE2 GLU A 63 4.992 -29.600 -4.845 1.00 0.00 O ATOM 0 H GLU A 63 5.729 -26.673 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 63 3.934 -28.927 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.940 -28.745 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.073 -30.221 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.726 -27.899 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.270 -28.728 -3.191 1.00 0.00 H new ATOM 898 N VAL A 64 5.709 -28.677 1.403 1.00 0.00 N ATOM 899 CA VAL A 64 5.724 -29.037 2.816 1.00 0.00 C ATOM 900 C VAL A 64 4.438 -28.599 3.508 1.00 0.00 C ATOM 901 O VAL A 64 3.983 -29.236 4.459 1.00 0.00 O ATOM 902 CB VAL A 64 6.926 -28.405 3.544 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.989 -28.886 4.986 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.219 -28.724 2.809 1.00 0.00 C ATOM 0 H VAL A 64 6.538 -28.173 1.088 1.00 0.00 H new ATOM 0 HA VAL A 64 5.809 -30.123 2.865 1.00 0.00 H new ATOM 0 HB VAL A 64 6.797 -27.323 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.844 -28.430 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.073 -28.603 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.095 -29.971 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.058 -28.270 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.357 -29.804 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.169 -28.326 1.795 1.00 0.00 H new ATOM 914 N HIS A 65 3.854 -27.507 3.024 1.00 0.00 N ATOM 915 CA HIS A 65 2.618 -26.983 3.596 1.00 0.00 C ATOM 916 C HIS A 65 1.479 -27.986 3.438 1.00 0.00 C ATOM 917 O HIS A 65 1.089 -28.327 2.323 1.00 0.00 O ATOM 918 CB HIS A 65 2.243 -25.660 2.928 1.00 0.00 C ATOM 919 CG HIS A 65 0.909 -25.130 3.356 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.746 -24.280 4.429 1.00 0.00 N ATOM 921 CD2 HIS A 65 -0.328 -25.333 2.847 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.534 -23.984 4.563 1.00 0.00 C ATOM 923 NE2 HIS A 65 -1.208 -24.610 3.615 1.00 0.00 N ATOM 0 H HIS A 65 4.216 -26.968 2.238 1.00 0.00 H new ATOM 0 HA HIS A 65 2.783 -26.811 4.660 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.009 -24.918 3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.241 -25.796 1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.577 -25.949 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.958 -23.340 5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.217 -24.564 3.476 1.00 0.00 H new ATOM 931 N GLY A 66 0.951 -28.456 4.565 1.00 0.00 N ATOM 932 CA GLY A 66 -0.137 -29.416 4.530 1.00 0.00 C ATOM 933 C GLY A 66 0.318 -30.820 4.877 1.00 0.00 C ATOM 934 O GLY A 66 -0.477 -31.760 4.862 1.00 0.00 O ATOM 0 H GLY A 66 1.257 -28.189 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.914 -29.106 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.584 -29.417 3.536 1.00 0.00 H new ATOM 938 N LYS A 67 1.601 -30.965 5.190 1.00 0.00 N ATOM 939 CA LYS A 67 2.161 -32.264 5.543 1.00 0.00 C ATOM 940 C LYS A 67 1.702 -32.696 6.932 1.00 0.00 C ATOM 941 O LYS A 67 0.887 -32.023 7.563 1.00 0.00 O ATOM 942 CB LYS A 67 3.690 -32.213 5.492 1.00 0.00 C ATOM 943 CG LYS A 67 4.248 -32.080 4.086 1.00 0.00 C ATOM 944 CD LYS A 67 4.534 -33.438 3.468 1.00 0.00 C ATOM 945 CE LYS A 67 3.631 -33.710 2.275 1.00 0.00 C ATOM 946 NZ LYS A 67 4.251 -34.666 1.316 1.00 0.00 N ATOM 0 H LYS A 67 2.273 -30.198 5.206 1.00 0.00 H new ATOM 0 HA LYS A 67 1.803 -32.995 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.037 -31.372 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.091 -33.118 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.538 -31.538 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.165 -31.491 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.577 -33.483 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.393 -34.217 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.680 -34.111 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.413 -32.773 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.604 -34.825 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.147 -34.272 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.436 -35.569 1.797 1.00 0.00 H new ATOM 960 N SER A 68 2.232 -33.820 7.402 1.00 0.00 N ATOM 961 CA SER A 68 1.874 -34.343 8.716 1.00 0.00 C ATOM 962 C SER A 68 3.114 -34.518 9.587 1.00 0.00 C ATOM 963 O SER A 68 4.163 -34.956 9.113 1.00 0.00 O ATOM 964 CB SER A 68 1.143 -35.679 8.575 1.00 0.00 C ATOM 965 OG SER A 68 1.960 -36.642 7.930 1.00 0.00 O ATOM 0 H SER A 68 2.911 -34.386 6.893 1.00 0.00 H new ATOM 0 HA SER A 68 1.211 -33.624 9.198 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.853 -36.044 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.225 -35.536 8.005 1.00 0.00 H new ATOM 0 HG SER A 68 1.471 -37.488 7.854 1.00 0.00 H new ATOM 971 N PHE A 69 2.986 -34.172 10.864 1.00 0.00 N ATOM 972 CA PHE A 69 4.096 -34.290 11.802 1.00 0.00 C ATOM 973 C PHE A 69 3.635 -34.005 13.228 1.00 0.00 C ATOM 974 O PHE A 69 2.940 -33.021 13.483 1.00 0.00 O ATOM 975 CB PHE A 69 5.222 -33.328 11.417 1.00 0.00 C ATOM 976 CG PHE A 69 6.539 -33.658 12.059 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.726 -33.474 13.419 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.589 -34.152 11.302 1.00 0.00 C ATOM 979 CE1 PHE A 69 7.938 -33.777 14.012 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.802 -34.457 11.890 1.00 0.00 C ATOM 981 CZ PHE A 69 8.976 -34.270 13.247 1.00 0.00 C ATOM 0 H PHE A 69 2.125 -33.808 11.272 1.00 0.00 H new ATOM 0 HA PHE A 69 4.470 -35.313 11.757 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.343 -33.338 10.334 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.935 -32.314 11.697 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.917 -33.090 14.023 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.458 -34.300 10.240 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.072 -33.628 15.073 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.613 -34.841 11.289 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.922 -34.509 13.709 1.00 0.00 H new ATOM 991 N ALA A 70 4.026 -34.873 14.155 1.00 0.00 N ATOM 992 CA ALA A 70 3.655 -34.715 15.556 1.00 0.00 C ATOM 993 C ALA A 70 2.141 -34.773 15.732 1.00 0.00 C ATOM 994 O ALA A 70 1.579 -34.081 16.579 1.00 0.00 O ATOM 995 CB ALA A 70 4.202 -33.405 16.102 1.00 0.00 C ATOM 0 H ALA A 70 4.600 -35.694 13.961 1.00 0.00 H new ATOM 0 HA ALA A 70 4.092 -35.540 16.118 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.917 -33.300 17.149 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.289 -33.402 16.019 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.792 -32.573 15.530 1.00 0.00 H new ATOM 1001 N ASN A 71 1.487 -35.602 14.925 1.00 0.00 N ATOM 1002 CA ASN A 71 0.037 -35.748 14.991 1.00 0.00 C ATOM 1003 C ASN A 71 -0.657 -34.418 14.718 1.00 0.00 C ATOM 1004 O ASN A 71 -1.703 -34.123 15.295 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.380 -36.282 16.364 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.245 -37.789 16.464 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.708 -38.524 15.591 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.390 -38.256 17.532 1.00 0.00 N ATOM 0 H ASN A 71 1.938 -36.183 14.218 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.267 -36.460 14.223 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.232 -35.813 17.134 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.414 -35.999 16.562 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.511 -39.261 17.654 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.757 -37.609 18.230 1.00 0.00 H new ATOM 1015 N GLN A 72 -0.067 -33.619 13.834 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.629 -32.320 13.485 1.00 0.00 C ATOM 1017 C GLN A 72 -0.147 -31.871 12.109 1.00 0.00 C ATOM 1018 O GLN A 72 0.939 -32.233 11.656 1.00 0.00 O ATOM 1019 CB GLN A 72 -0.249 -31.277 14.536 1.00 0.00 C ATOM 1020 CG GLN A 72 1.237 -30.958 14.569 1.00 0.00 C ATOM 1021 CD GLN A 72 1.550 -29.712 15.373 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.726 -29.243 16.158 1.00 0.00 O ATOM 1023 NE2 GLN A 72 2.746 -29.167 15.180 1.00 0.00 N ATOM 0 H GLN A 72 0.799 -33.849 13.347 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.714 -32.418 13.456 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.805 -30.359 14.342 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.557 -31.635 15.518 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.777 -31.804 14.994 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.599 -30.828 13.549 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.398 -29.589 14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.012 -28.326 15.693 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.973 -31.064 11.427 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.653 -30.548 10.093 1.00 0.00 C ATOM 1034 C PRO A 73 0.480 -29.527 10.123 1.00 0.00 C ATOM 1035 O PRO A 73 0.397 -28.513 10.817 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.958 -29.886 9.645 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.654 -29.526 10.912 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.283 -30.592 11.906 1.00 0.00 C ATOM 0 HA PRO A 73 -0.308 -31.336 9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.765 -29.004 9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.560 -30.566 9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.343 -28.541 11.262 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.734 -29.487 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.221 -30.193 12.918 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.018 -31.397 11.925 1.00 0.00 H new ATOM 1046 N LEU A 74 1.536 -29.800 9.365 1.00 0.00 N ATOM 1047 CA LEU A 74 2.686 -28.904 9.304 1.00 0.00 C ATOM 1048 C LEU A 74 2.330 -27.609 8.580 1.00 0.00 C ATOM 1049 O LEU A 74 1.332 -27.542 7.864 1.00 0.00 O ATOM 1050 CB LEU A 74 3.856 -29.591 8.598 1.00 0.00 C ATOM 1051 CG LEU A 74 4.727 -30.497 9.469 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.831 -31.134 8.640 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.317 -29.711 10.632 1.00 0.00 C ATOM 0 H LEU A 74 1.620 -30.634 8.784 1.00 0.00 H new ATOM 0 HA LEU A 74 2.979 -28.659 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.459 -30.185 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.492 -28.822 8.159 1.00 0.00 H new ATOM 0 HG LEU A 74 4.100 -31.292 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.440 -31.775 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.389 -31.730 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.456 -30.354 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.934 -30.371 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.929 -28.896 10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.511 -29.303 11.241 1.00 0.00 H new ATOM 1065 N GLU A 75 3.155 -26.584 8.771 1.00 0.00 N ATOM 1066 CA GLU A 75 2.927 -25.292 8.135 1.00 0.00 C ATOM 1067 C GLU A 75 4.250 -24.615 7.790 1.00 0.00 C ATOM 1068 O GLU A 75 5.143 -24.508 8.630 1.00 0.00 O ATOM 1069 CB GLU A 75 2.100 -24.387 9.051 1.00 0.00 C ATOM 1070 CG GLU A 75 1.114 -25.142 9.925 1.00 0.00 C ATOM 1071 CD GLU A 75 0.171 -24.219 10.673 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.373 -22.989 10.610 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.767 -24.727 11.321 1.00 0.00 O ATOM 0 H GLU A 75 3.986 -26.623 9.361 1.00 0.00 H new ATOM 0 HA GLU A 75 2.375 -25.462 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.775 -23.816 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.554 -23.668 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.533 -25.824 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.663 -25.753 10.642 1.00 0.00 H new ATOM 1080 N VAL A 76 4.367 -24.158 6.547 1.00 0.00 N ATOM 1081 CA VAL A 76 5.580 -23.490 6.090 1.00 0.00 C ATOM 1082 C VAL A 76 5.253 -22.175 5.391 1.00 0.00 C ATOM 1083 O VAL A 76 4.239 -22.061 4.703 1.00 0.00 O ATOM 1084 CB VAL A 76 6.385 -24.384 5.128 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.810 -23.872 4.989 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.373 -25.828 5.608 1.00 0.00 C ATOM 0 H VAL A 76 3.637 -24.238 5.839 1.00 0.00 H new ATOM 0 HA VAL A 76 6.183 -23.287 6.975 1.00 0.00 H new ATOM 0 HB VAL A 76 5.914 -24.347 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.363 -24.516 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.795 -22.855 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.295 -23.877 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.946 -26.446 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.819 -25.885 6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.345 -26.189 5.650 1.00 0.00 H new ATOM 1096 N VAL A 77 6.120 -21.184 5.571 1.00 0.00 N ATOM 1097 CA VAL A 77 5.925 -19.876 4.956 1.00 0.00 C ATOM 1098 C VAL A 77 7.250 -19.284 4.491 1.00 0.00 C ATOM 1099 O VAL A 77 8.321 -19.764 4.864 1.00 0.00 O ATOM 1100 CB VAL A 77 5.250 -18.893 5.930 1.00 0.00 C ATOM 1101 CG1 VAL A 77 4.540 -17.786 5.166 1.00 0.00 C ATOM 1102 CG2 VAL A 77 4.280 -19.628 6.843 1.00 0.00 C ATOM 0 H VAL A 77 6.964 -21.262 6.138 1.00 0.00 H new ATOM 0 HA VAL A 77 5.275 -20.026 4.094 1.00 0.00 H new ATOM 0 HB VAL A 77 6.022 -18.437 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.069 -17.101 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.263 -17.241 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.778 -18.221 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.812 -18.917 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.511 -20.114 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.820 -20.380 7.418 1.00 0.00 H new ATOM 1112 N TYR A 78 7.171 -18.239 3.674 1.00 0.00 N ATOM 1113 CA TYR A 78 8.365 -17.582 3.156 1.00 0.00 C ATOM 1114 C TYR A 78 9.066 -16.783 4.250 1.00 0.00 C ATOM 1115 O TYR A 78 8.711 -15.636 4.521 1.00 0.00 O ATOM 1116 CB TYR A 78 8.000 -16.661 1.991 1.00 0.00 C ATOM 1117 CG TYR A 78 8.502 -17.151 0.651 1.00 0.00 C ATOM 1118 CD1 TYR A 78 9.854 -17.398 0.442 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.626 -17.366 -0.405 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.317 -17.845 -0.780 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.080 -17.815 -1.630 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.427 -18.052 -1.813 1.00 0.00 C ATOM 1123 OH TYR A 78 9.884 -18.498 -3.032 1.00 0.00 O ATOM 0 H TYR A 78 6.293 -17.829 3.356 1.00 0.00 H new ATOM 0 HA TYR A 78 9.048 -18.354 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.916 -16.557 1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.408 -15.669 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.554 -17.238 1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.571 -17.179 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.371 -18.032 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.385 -17.980 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 78 10.742 -18.956 -2.912 1.00 0.00 H new ATOM 1133 N SER A 79 10.064 -17.399 4.876 1.00 0.00 N ATOM 1134 CA SER A 79 10.814 -16.747 5.944 1.00 0.00 C ATOM 1135 C SER A 79 11.376 -15.409 5.474 1.00 0.00 C ATOM 1136 O SER A 79 12.107 -15.342 4.486 1.00 0.00 O ATOM 1137 CB SER A 79 11.951 -17.652 6.422 1.00 0.00 C ATOM 1138 OG SER A 79 12.956 -16.902 7.081 1.00 0.00 O ATOM 0 H SER A 79 10.372 -18.348 4.662 1.00 0.00 H new ATOM 0 HA SER A 79 10.132 -16.563 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.557 -18.411 7.098 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.384 -18.178 5.571 1.00 0.00 H new ATOM 0 HG SER A 79 12.871 -17.021 8.050 1.00 0.00 H new ATOM 1144 N LYS A 80 11.030 -14.345 6.190 1.00 0.00 N ATOM 1145 CA LYS A 80 11.500 -13.007 5.850 1.00 0.00 C ATOM 1146 C LYS A 80 13.022 -12.935 5.903 1.00 0.00 C ATOM 1147 O LYS A 80 13.654 -13.567 6.750 1.00 0.00 O ATOM 1148 CB LYS A 80 10.897 -11.974 6.805 1.00 0.00 C ATOM 1149 CG LYS A 80 11.032 -12.349 8.271 1.00 0.00 C ATOM 1150 CD LYS A 80 10.868 -11.138 9.174 1.00 0.00 C ATOM 1151 CE LYS A 80 10.705 -11.547 10.630 1.00 0.00 C ATOM 1152 NZ LYS A 80 11.045 -10.434 11.559 1.00 0.00 N ATOM 0 H LYS A 80 10.425 -14.383 7.010 1.00 0.00 H new ATOM 0 HA LYS A 80 11.178 -12.784 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.381 -11.012 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.841 -11.845 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.283 -13.098 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.008 -12.803 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.736 -10.487 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.999 -10.562 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.677 -11.865 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.345 -12.404 10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.921 -10.752 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.033 -10.147 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.418 -9.625 11.376 1.00 0.00 H new