USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 735 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 89 THR OG1 : rot 180:sc= 1.01 USER MOD Set 1.2: A 98 SER OG : rot 87:sc= 1.2 USER MOD Set 2.1: A 54 HIS : no HE2:sc= 0.951 K(o=1.4,f=-7.1!) USER MOD Set 2.2: A 59 THR OG1 : rot 71:sc= 2.33 USER MOD Set 2.3: A 65 ASN : amide:sc= -1.86! C(o=1.4!,f=-2.2!) USER MOD Set 3.1: A 36 MET CE :methyl -132:sc= 0 (180deg=0) USER MOD Set 3.2: A 91 GLN : amide:sc= -3.81! C(o=-3.8!,f=-6.3!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.29) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 38 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.26) USER MOD Single : A 39 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0428 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.843 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -120:sc= -0.236 (180deg=-3.83!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.458 USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.12) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc=-0.00236 X(o=-0.0024,f=0.046) USER MOD Single : A 101 MET CE :methyl -141:sc= -0.527 (180deg=-1.22) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 121 GLN : amide:sc= -0.868 K(o=-0.87,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -1.03 K(o=-1,f=-0.00041) USER MOD Single : A 128 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -15.770 -10.175 -5.417 1.00 0.00 N ATOM 36 CA ASN A 26 -16.459 -8.895 -5.218 1.00 0.00 C ATOM 37 C ASN A 26 -15.947 -7.831 -6.185 1.00 0.00 C ATOM 38 O ASN A 26 -15.123 -6.998 -5.816 1.00 0.00 O ATOM 39 CB ASN A 26 -16.298 -8.404 -3.770 1.00 0.00 C ATOM 40 CG ASN A 26 -16.925 -9.337 -2.753 1.00 0.00 C ATOM 41 OD1 ASN A 26 -16.273 -10.247 -2.242 1.00 0.00 O ATOM 42 ND2 ASN A 26 -18.191 -9.111 -2.441 1.00 0.00 N ATOM 0 HA ASN A 26 -17.517 -9.063 -5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.237 -8.292 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.749 -7.416 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.660 -9.702 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.697 -8.346 -2.887 1.00 0.00 H new ATOM 49 N TYR A 27 -16.456 -7.843 -7.414 1.00 0.00 N ATOM 50 CA TYR A 27 -15.982 -6.924 -8.447 1.00 0.00 C ATOM 51 C TYR A 27 -16.370 -5.481 -8.126 1.00 0.00 C ATOM 52 O TYR A 27 -15.647 -4.545 -8.472 1.00 0.00 O ATOM 53 CB TYR A 27 -16.534 -7.318 -9.824 1.00 0.00 C ATOM 54 CG TYR A 27 -15.904 -6.558 -10.975 1.00 0.00 C ATOM 55 CD1 TYR A 27 -14.733 -7.008 -11.574 1.00 0.00 C ATOM 56 CD2 TYR A 27 -16.476 -5.386 -11.459 1.00 0.00 C ATOM 57 CE1 TYR A 27 -14.150 -6.313 -12.619 1.00 0.00 C ATOM 58 CE2 TYR A 27 -15.900 -4.688 -12.504 1.00 0.00 C ATOM 59 CZ TYR A 27 -14.738 -5.154 -13.079 1.00 0.00 C ATOM 60 OH TYR A 27 -14.158 -4.457 -14.116 1.00 0.00 O ATOM 0 H TYR A 27 -17.195 -8.477 -7.719 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.894 -6.992 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -16.377 -8.386 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -17.611 -7.149 -9.835 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.270 -7.916 -11.217 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.386 -5.015 -11.011 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.239 -6.677 -13.072 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.359 -3.781 -12.868 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.698 -3.665 -14.320 1.00 0.00 H new ATOM 70 N LEU A 28 -17.496 -5.301 -7.444 1.00 0.00 N ATOM 71 CA LEU A 28 -17.969 -3.961 -7.108 1.00 0.00 C ATOM 72 C LEU A 28 -17.092 -3.364 -6.021 1.00 0.00 C ATOM 73 O LEU A 28 -16.708 -2.196 -6.086 1.00 0.00 O ATOM 74 CB LEU A 28 -19.433 -3.992 -6.654 1.00 0.00 C ATOM 75 CG LEU A 28 -20.446 -4.389 -7.732 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.832 -4.552 -7.124 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.478 -3.351 -8.845 1.00 0.00 C ATOM 0 H LEU A 28 -18.095 -6.059 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.908 -3.339 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.523 -4.689 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.699 -3.005 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.137 -5.344 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.540 -4.834 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.805 -5.329 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.145 -3.610 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -21.203 -3.651 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.763 -2.383 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.490 -3.275 -9.300 1.00 0.00 H new ATOM 89 N ARG A 29 -16.770 -4.181 -5.030 1.00 0.00 N ATOM 90 CA ARG A 29 -15.829 -3.795 -3.993 1.00 0.00 C ATOM 91 C ARG A 29 -14.436 -3.632 -4.595 1.00 0.00 C ATOM 92 O ARG A 29 -13.674 -2.748 -4.204 1.00 0.00 O ATOM 93 CB ARG A 29 -15.797 -4.850 -2.886 1.00 0.00 C ATOM 94 CG ARG A 29 -14.793 -4.551 -1.786 1.00 0.00 C ATOM 95 CD ARG A 29 -14.691 -5.695 -0.788 1.00 0.00 C ATOM 96 NE ARG A 29 -15.980 -6.013 -0.174 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.267 -7.185 0.394 1.00 0.00 C ATOM 98 NH1 ARG A 29 -15.362 -8.158 0.416 1.00 0.00 N ATOM 99 NH2 ARG A 29 -17.463 -7.384 0.935 1.00 0.00 N ATOM 0 H ARG A 29 -17.150 -5.121 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.149 -2.846 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.791 -4.932 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.562 -5.819 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.814 -4.366 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.085 -3.639 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.303 -6.580 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.975 -5.432 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.704 -5.294 -0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.444 -8.010 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.586 -9.053 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.161 -6.641 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.683 -8.280 1.370 1.00 0.00 H new ATOM 113 N LYS A 30 -14.123 -4.494 -5.554 1.00 0.00 N ATOM 114 CA LYS A 30 -12.848 -4.452 -6.250 1.00 0.00 C ATOM 115 C LYS A 30 -12.646 -3.085 -6.890 1.00 0.00 C ATOM 116 O LYS A 30 -11.575 -2.491 -6.774 1.00 0.00 O ATOM 117 CB LYS A 30 -12.785 -5.543 -7.324 1.00 0.00 C ATOM 118 CG LYS A 30 -11.374 -5.870 -7.780 1.00 0.00 C ATOM 119 CD LYS A 30 -10.641 -6.711 -6.747 1.00 0.00 C ATOM 120 CE LYS A 30 -11.043 -8.177 -6.826 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.480 -8.835 -8.035 1.00 0.00 N ATOM 0 H LYS A 30 -14.745 -5.239 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.054 -4.629 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.251 -6.449 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.372 -5.226 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.411 -6.406 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.823 -4.946 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.566 -6.620 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.854 -6.329 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.697 -8.698 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.130 -8.256 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.552 -9.868 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.013 -8.531 -8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.481 -8.567 -8.143 1.00 0.00 H new ATOM 135 N ALA A 31 -13.683 -2.591 -7.564 1.00 0.00 N ATOM 136 CA ALA A 31 -13.647 -1.271 -8.177 1.00 0.00 C ATOM 137 C ALA A 31 -13.365 -0.179 -7.153 1.00 0.00 C ATOM 138 O ALA A 31 -12.632 0.764 -7.436 1.00 0.00 O ATOM 139 CB ALA A 31 -14.957 -0.995 -8.896 1.00 0.00 C ATOM 0 H ALA A 31 -14.562 -3.091 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.830 -1.261 -8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.921 -0.005 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -15.112 -1.746 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.780 -1.036 -8.182 1.00 0.00 H new ATOM 145 N ALA A 32 -13.925 -0.322 -5.957 1.00 0.00 N ATOM 146 CA ALA A 32 -13.719 0.661 -4.901 1.00 0.00 C ATOM 147 C ALA A 32 -12.268 0.637 -4.441 1.00 0.00 C ATOM 148 O ALA A 32 -11.630 1.679 -4.280 1.00 0.00 O ATOM 149 CB ALA A 32 -14.656 0.391 -3.732 1.00 0.00 C ATOM 0 H ALA A 32 -14.523 -1.106 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.943 1.652 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.489 1.134 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.690 0.449 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.461 -0.604 -3.332 1.00 0.00 H new ATOM 155 N LEU A 33 -11.749 -0.568 -4.264 1.00 0.00 N ATOM 156 CA LEU A 33 -10.359 -0.768 -3.870 1.00 0.00 C ATOM 157 C LEU A 33 -9.426 -0.252 -4.957 1.00 0.00 C ATOM 158 O LEU A 33 -8.409 0.385 -4.677 1.00 0.00 O ATOM 159 CB LEU A 33 -10.093 -2.259 -3.613 1.00 0.00 C ATOM 160 CG LEU A 33 -10.448 -2.791 -2.212 1.00 0.00 C ATOM 161 CD1 LEU A 33 -11.774 -2.238 -1.715 1.00 0.00 C ATOM 162 CD2 LEU A 33 -10.505 -4.308 -2.234 1.00 0.00 C ATOM 0 H LEU A 33 -12.275 -1.433 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.171 -0.212 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.653 -2.837 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.036 -2.452 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.669 -2.458 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.987 -2.638 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.718 -1.151 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.569 -2.528 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.757 -4.677 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.265 -4.633 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.535 -4.704 -2.533 1.00 0.00 H new ATOM 174 N THR A 34 -9.794 -0.521 -6.204 1.00 0.00 N ATOM 175 CA THR A 34 -9.011 -0.086 -7.347 1.00 0.00 C ATOM 176 C THR A 34 -9.033 1.433 -7.462 1.00 0.00 C ATOM 177 O THR A 34 -8.023 2.056 -7.786 1.00 0.00 O ATOM 178 CB THR A 34 -9.543 -0.712 -8.651 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.585 -2.141 -8.526 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.669 -0.331 -9.838 1.00 0.00 C ATOM 0 H THR A 34 -10.636 -1.042 -6.447 1.00 0.00 H new ATOM 0 HA THR A 34 -7.984 -0.419 -7.193 1.00 0.00 H new ATOM 0 HB THR A 34 -10.548 -0.329 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.359 -2.399 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.068 -0.786 -10.744 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.660 0.753 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.652 -0.687 -9.670 1.00 0.00 H new ATOM 188 N ASP A 35 -10.179 2.023 -7.153 1.00 0.00 N ATOM 189 CA ASP A 35 -10.345 3.465 -7.250 1.00 0.00 C ATOM 190 C ASP A 35 -9.494 4.162 -6.205 1.00 0.00 C ATOM 191 O ASP A 35 -8.850 5.173 -6.490 1.00 0.00 O ATOM 192 CB ASP A 35 -11.810 3.859 -7.071 1.00 0.00 C ATOM 193 CG ASP A 35 -12.026 5.350 -7.225 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.188 6.040 -6.198 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.033 5.837 -8.374 1.00 0.00 O ATOM 0 H ASP A 35 -11.009 1.524 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.022 3.777 -8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.419 3.328 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.151 3.545 -6.085 1.00 0.00 H new ATOM 200 N MET A 36 -9.478 3.612 -4.997 1.00 0.00 N ATOM 201 CA MET A 36 -8.649 4.162 -3.932 1.00 0.00 C ATOM 202 C MET A 36 -7.176 4.040 -4.298 1.00 0.00 C ATOM 203 O MET A 36 -6.390 4.956 -4.063 1.00 0.00 O ATOM 204 CB MET A 36 -8.920 3.473 -2.591 1.00 0.00 C ATOM 205 CG MET A 36 -8.019 3.982 -1.478 1.00 0.00 C ATOM 206 SD MET A 36 -8.174 5.763 -1.222 1.00 0.00 S ATOM 207 CE MET A 36 -6.807 6.063 -0.106 1.00 0.00 C ATOM 0 H MET A 36 -10.025 2.793 -4.732 1.00 0.00 H new ATOM 0 HA MET A 36 -8.906 5.215 -3.821 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.961 3.630 -2.310 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.779 2.398 -2.704 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.263 3.463 -0.551 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.983 3.741 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.149 6.666 0.735 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.423 5.112 0.263 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.015 6.594 -0.635 1.00 0.00 H new ATOM 217 N LEU A 37 -6.807 2.914 -4.897 1.00 0.00 N ATOM 218 CA LEU A 37 -5.441 2.713 -5.362 1.00 0.00 C ATOM 219 C LEU A 37 -5.090 3.732 -6.445 1.00 0.00 C ATOM 220 O LEU A 37 -3.996 4.299 -6.449 1.00 0.00 O ATOM 221 CB LEU A 37 -5.271 1.291 -5.901 1.00 0.00 C ATOM 222 CG LEU A 37 -3.870 0.947 -6.418 1.00 0.00 C ATOM 223 CD1 LEU A 37 -2.879 0.835 -5.267 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.904 -0.342 -7.216 1.00 0.00 C ATOM 0 H LEU A 37 -7.433 2.128 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.764 2.854 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.531 0.587 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.986 1.139 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.540 1.754 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.892 0.590 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.832 1.784 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.203 0.050 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.902 -0.573 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.257 -1.154 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.577 -0.227 -8.065 1.00 0.00 H new ATOM 236 N GLN A 38 -6.029 3.973 -7.352 1.00 0.00 N ATOM 237 CA GLN A 38 -5.833 4.953 -8.412 1.00 0.00 C ATOM 238 C GLN A 38 -5.780 6.366 -7.846 1.00 0.00 C ATOM 239 O GLN A 38 -5.116 7.235 -8.400 1.00 0.00 O ATOM 240 CB GLN A 38 -6.943 4.853 -9.459 1.00 0.00 C ATOM 241 CG GLN A 38 -6.903 3.577 -10.285 1.00 0.00 C ATOM 242 CD GLN A 38 -5.563 3.364 -10.965 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.331 3.847 -12.071 1.00 0.00 O ATOM 244 NE2 GLN A 38 -4.678 2.629 -10.311 1.00 0.00 N ATOM 0 H GLN A 38 -6.934 3.503 -7.374 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.879 4.734 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.908 4.918 -8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.874 5.710 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.119 2.725 -9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.688 3.613 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.910 2.246 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.763 2.445 -10.723 1.00 0.00 H new ATOM 253 N THR A 39 -6.486 6.584 -6.746 1.00 0.00 N ATOM 254 CA THR A 39 -6.460 7.867 -6.057 1.00 0.00 C ATOM 255 C THR A 39 -5.148 8.028 -5.285 1.00 0.00 C ATOM 256 O THR A 39 -4.663 9.139 -5.079 1.00 0.00 O ATOM 257 CB THR A 39 -7.660 7.997 -5.095 1.00 0.00 C ATOM 258 OG1 THR A 39 -8.883 7.790 -5.817 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.691 9.363 -4.424 1.00 0.00 C ATOM 0 H THR A 39 -7.087 5.885 -6.309 1.00 0.00 H new ATOM 0 HA THR A 39 -6.531 8.657 -6.805 1.00 0.00 H new ATOM 0 HB THR A 39 -7.552 7.239 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.996 6.834 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.549 9.420 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.774 9.509 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.773 10.140 -5.184 1.00 0.00 H new ATOM 267 N PHE A 40 -4.569 6.904 -4.888 1.00 0.00 N ATOM 268 CA PHE A 40 -3.301 6.906 -4.175 1.00 0.00 C ATOM 269 C PHE A 40 -2.157 7.320 -5.102 1.00 0.00 C ATOM 270 O PHE A 40 -1.196 7.958 -4.669 1.00 0.00 O ATOM 271 CB PHE A 40 -3.029 5.530 -3.557 1.00 0.00 C ATOM 272 CG PHE A 40 -1.730 5.449 -2.806 1.00 0.00 C ATOM 273 CD1 PHE A 40 -1.421 6.379 -1.820 1.00 0.00 C ATOM 274 CD2 PHE A 40 -0.814 4.448 -3.087 1.00 0.00 C ATOM 275 CE1 PHE A 40 -0.224 6.309 -1.134 1.00 0.00 C ATOM 276 CE2 PHE A 40 0.382 4.374 -2.403 1.00 0.00 C ATOM 277 CZ PHE A 40 0.680 5.305 -1.427 1.00 0.00 C ATOM 0 H PHE A 40 -4.960 5.976 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.364 7.637 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.846 5.278 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.028 4.780 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.124 7.165 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.039 3.717 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.005 7.037 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.086 3.587 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.618 5.249 -0.894 1.00 0.00 H new ATOM 287 N VAL A 41 -2.260 6.942 -6.375 1.00 0.00 N ATOM 288 CA VAL A 41 -1.232 7.266 -7.367 1.00 0.00 C ATOM 289 C VAL A 41 -0.861 8.763 -7.363 1.00 0.00 C ATOM 290 O VAL A 41 0.323 9.091 -7.265 1.00 0.00 O ATOM 291 CB VAL A 41 -1.641 6.816 -8.790 1.00 0.00 C ATOM 292 CG1 VAL A 41 -0.616 7.269 -9.816 1.00 0.00 C ATOM 293 CG2 VAL A 41 -1.809 5.305 -8.839 1.00 0.00 C ATOM 0 H VAL A 41 -3.047 6.409 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.345 6.705 -7.074 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.596 7.282 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.925 6.941 -10.808 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.541 8.356 -9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.355 6.835 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.097 5.003 -9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.867 4.825 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.583 5.002 -8.134 1.00 0.00 H new ATOM 303 N PRO A 42 -1.838 9.700 -7.459 1.00 0.00 N ATOM 304 CA PRO A 42 -1.555 11.140 -7.375 1.00 0.00 C ATOM 305 C PRO A 42 -0.876 11.545 -6.070 1.00 0.00 C ATOM 306 O PRO A 42 -0.163 12.548 -6.024 1.00 0.00 O ATOM 307 CB PRO A 42 -2.930 11.801 -7.467 1.00 0.00 C ATOM 308 CG PRO A 42 -3.787 10.794 -8.142 1.00 0.00 C ATOM 309 CD PRO A 42 -3.270 9.455 -7.703 1.00 0.00 C ATOM 0 HA PRO A 42 -0.864 11.441 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.316 12.051 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.886 12.729 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.833 10.920 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.733 10.898 -9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.776 9.105 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.422 8.695 -8.470 1.00 0.00 H new ATOM 317 N TYR A 43 -1.079 10.766 -5.007 1.00 0.00 N ATOM 318 CA TYR A 43 -0.435 11.072 -3.733 1.00 0.00 C ATOM 319 C TYR A 43 1.034 10.689 -3.811 1.00 0.00 C ATOM 320 O TYR A 43 1.902 11.345 -3.234 1.00 0.00 O ATOM 321 CB TYR A 43 -1.105 10.345 -2.561 1.00 0.00 C ATOM 322 CG TYR A 43 -2.431 10.941 -2.138 1.00 0.00 C ATOM 323 CD1 TYR A 43 -3.632 10.400 -2.574 1.00 0.00 C ATOM 324 CD2 TYR A 43 -2.478 12.043 -1.293 1.00 0.00 C ATOM 325 CE1 TYR A 43 -4.841 10.939 -2.181 1.00 0.00 C ATOM 326 CE2 TYR A 43 -3.686 12.588 -0.896 1.00 0.00 C ATOM 327 CZ TYR A 43 -4.864 12.030 -1.344 1.00 0.00 C ATOM 328 OH TYR A 43 -6.073 12.560 -0.952 1.00 0.00 O ATOM 0 H TYR A 43 -1.672 9.936 -5.002 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.536 12.142 -3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.259 9.302 -2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.427 10.353 -1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.621 9.543 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.556 12.481 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.766 10.505 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.706 13.445 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.918 13.326 -0.361 1.00 0.00 H new ATOM 338 N ARG A 44 1.299 9.611 -4.548 1.00 0.00 N ATOM 339 CA ARG A 44 2.655 9.125 -4.742 1.00 0.00 C ATOM 340 C ARG A 44 3.495 10.180 -5.434 1.00 0.00 C ATOM 341 O ARG A 44 4.680 10.286 -5.179 1.00 0.00 O ATOM 342 CB ARG A 44 2.678 7.843 -5.570 1.00 0.00 C ATOM 343 CG ARG A 44 1.821 6.727 -5.007 1.00 0.00 C ATOM 344 CD ARG A 44 2.029 5.429 -5.780 1.00 0.00 C ATOM 345 NE ARG A 44 1.994 5.634 -7.232 1.00 0.00 N ATOM 346 CZ ARG A 44 1.833 4.653 -8.122 1.00 0.00 C ATOM 347 NH1 ARG A 44 1.624 3.408 -7.716 1.00 0.00 N ATOM 348 NH2 ARG A 44 1.880 4.920 -9.420 1.00 0.00 N ATOM 0 H ARG A 44 0.584 9.058 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 44 3.069 8.908 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.341 8.070 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.707 7.492 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.066 6.571 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.770 7.015 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.987 4.992 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.257 4.713 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 44 2.099 6.586 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.586 3.196 -6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.502 2.662 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.039 5.876 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.757 4.170 -10.100 1.00 0.00 H new ATOM 362 N THR A 45 2.871 10.945 -6.324 1.00 0.00 N ATOM 363 CA THR A 45 3.540 12.071 -6.966 1.00 0.00 C ATOM 364 C THR A 45 4.206 12.991 -5.938 1.00 0.00 C ATOM 365 O THR A 45 5.331 13.444 -6.144 1.00 0.00 O ATOM 366 CB THR A 45 2.536 12.887 -7.800 1.00 0.00 C ATOM 367 OG1 THR A 45 1.810 12.017 -8.678 1.00 0.00 O ATOM 368 CG2 THR A 45 3.242 13.961 -8.617 1.00 0.00 C ATOM 0 H THR A 45 1.904 10.806 -6.617 1.00 0.00 H new ATOM 0 HA THR A 45 4.313 11.661 -7.617 1.00 0.00 H new ATOM 0 HB THR A 45 1.846 13.376 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.172 12.542 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.507 14.520 -9.195 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.769 14.640 -7.947 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.956 13.492 -9.294 1.00 0.00 H new ATOM 376 N ALA A 46 3.530 13.228 -4.818 1.00 0.00 N ATOM 377 CA ALA A 46 4.094 14.045 -3.747 1.00 0.00 C ATOM 378 C ALA A 46 5.302 13.342 -3.135 1.00 0.00 C ATOM 379 O ALA A 46 6.295 13.970 -2.758 1.00 0.00 O ATOM 380 CB ALA A 46 3.038 14.321 -2.685 1.00 0.00 C ATOM 0 H ALA A 46 2.595 12.868 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 46 4.421 14.998 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.470 14.931 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.199 14.852 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.687 13.377 -2.267 1.00 0.00 H new ATOM 386 N VAL A 47 5.207 12.024 -3.076 1.00 0.00 N ATOM 387 CA VAL A 47 6.285 11.191 -2.563 1.00 0.00 C ATOM 388 C VAL A 47 7.454 11.168 -3.549 1.00 0.00 C ATOM 389 O VAL A 47 8.611 11.262 -3.150 1.00 0.00 O ATOM 390 CB VAL A 47 5.802 9.747 -2.286 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.957 8.862 -1.835 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.692 9.746 -1.244 1.00 0.00 C ATOM 0 H VAL A 47 4.385 11.502 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 47 6.617 11.624 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 47 5.406 9.339 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.590 7.853 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.718 8.832 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.390 9.267 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.365 8.722 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.064 10.179 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.851 10.336 -1.608 1.00 0.00 H new ATOM 402 N GLU A 48 7.136 11.075 -4.838 1.00 0.00 N ATOM 403 CA GLU A 48 8.144 11.049 -5.895 1.00 0.00 C ATOM 404 C GLU A 48 8.906 12.368 -5.936 1.00 0.00 C ATOM 405 O GLU A 48 10.100 12.398 -6.228 1.00 0.00 O ATOM 406 CB GLU A 48 7.499 10.795 -7.263 1.00 0.00 C ATOM 407 CG GLU A 48 6.740 9.482 -7.363 1.00 0.00 C ATOM 408 CD GLU A 48 7.638 8.270 -7.226 1.00 0.00 C ATOM 409 OE1 GLU A 48 8.447 8.020 -8.146 1.00 0.00 O ATOM 410 OE2 GLU A 48 7.515 7.541 -6.222 1.00 0.00 O ATOM 0 H GLU A 48 6.176 11.016 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 48 8.836 10.236 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.816 11.614 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.277 10.811 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.975 9.451 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.224 9.439 -8.322 1.00 0.00 H new ATOM 417 N LEU A 49 8.202 13.457 -5.651 1.00 0.00 N ATOM 418 CA LEU A 49 8.824 14.772 -5.576 1.00 0.00 C ATOM 419 C LEU A 49 9.875 14.787 -4.478 1.00 0.00 C ATOM 420 O LEU A 49 10.996 15.257 -4.677 1.00 0.00 O ATOM 421 CB LEU A 49 7.767 15.849 -5.301 1.00 0.00 C ATOM 422 CG LEU A 49 6.735 16.055 -6.411 1.00 0.00 C ATOM 423 CD1 LEU A 49 5.672 17.048 -5.971 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.408 16.527 -7.689 1.00 0.00 C ATOM 0 H LEU A 49 7.199 13.455 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 49 9.302 14.987 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.240 15.591 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.276 16.796 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 49 6.253 15.098 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.946 17.183 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.166 16.670 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.141 18.005 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.656 16.667 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.919 17.472 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.132 15.781 -8.016 1.00 0.00 H new ATOM 436 N CYS A 50 9.512 14.246 -3.330 1.00 0.00 N ATOM 437 CA CYS A 50 10.426 14.140 -2.207 1.00 0.00 C ATOM 438 C CYS A 50 11.559 13.160 -2.526 1.00 0.00 C ATOM 439 O CYS A 50 12.735 13.450 -2.286 1.00 0.00 O ATOM 440 CB CYS A 50 9.650 13.704 -0.963 1.00 0.00 C ATOM 441 SG CYS A 50 10.680 13.068 0.390 1.00 0.00 S ATOM 0 H CYS A 50 8.581 13.870 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 50 10.879 15.112 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.074 14.553 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.934 12.934 -1.250 1.00 0.00 H new ATOM 446 N ALA A 51 11.187 12.012 -3.085 1.00 0.00 N ATOM 447 CA ALA A 51 12.148 10.985 -3.480 1.00 0.00 C ATOM 448 C ALA A 51 13.191 11.530 -4.448 1.00 0.00 C ATOM 449 O ALA A 51 14.361 11.179 -4.369 1.00 0.00 O ATOM 450 CB ALA A 51 11.429 9.799 -4.106 1.00 0.00 C ATOM 0 H ALA A 51 10.215 11.767 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 51 12.666 10.658 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.159 9.042 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.732 9.374 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.881 10.130 -4.988 1.00 0.00 H new ATOM 456 N LEU A 52 12.768 12.396 -5.352 1.00 0.00 N ATOM 457 CA LEU A 52 13.670 12.950 -6.356 1.00 0.00 C ATOM 458 C LEU A 52 14.483 14.107 -5.781 1.00 0.00 C ATOM 459 O LEU A 52 15.550 14.446 -6.295 1.00 0.00 O ATOM 460 CB LEU A 52 12.873 13.414 -7.579 1.00 0.00 C ATOM 461 CG LEU A 52 13.706 13.942 -8.749 1.00 0.00 C ATOM 462 CD1 LEU A 52 14.635 12.863 -9.285 1.00 0.00 C ATOM 463 CD2 LEU A 52 12.799 14.462 -9.853 1.00 0.00 C ATOM 0 H LEU A 52 11.807 12.733 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 52 14.365 12.168 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.268 12.580 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.183 14.197 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 52 14.320 14.766 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.216 13.263 -10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.310 12.538 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.045 12.014 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.407 14.834 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.159 13.654 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.180 15.271 -9.465 1.00 0.00 H new ATOM 475 N GLU A 53 13.983 14.707 -4.710 1.00 0.00 N ATOM 476 CA GLU A 53 14.646 15.845 -4.095 1.00 0.00 C ATOM 477 C GLU A 53 15.827 15.393 -3.236 1.00 0.00 C ATOM 478 O GLU A 53 16.929 15.930 -3.347 1.00 0.00 O ATOM 479 CB GLU A 53 13.647 16.645 -3.250 1.00 0.00 C ATOM 480 CG GLU A 53 14.213 17.937 -2.679 1.00 0.00 C ATOM 481 CD GLU A 53 14.604 18.930 -3.755 1.00 0.00 C ATOM 482 OE1 GLU A 53 15.794 18.970 -4.133 1.00 0.00 O ATOM 483 OE2 GLU A 53 13.725 19.675 -4.234 1.00 0.00 O ATOM 0 H GLU A 53 13.119 14.423 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 53 15.031 16.486 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.777 16.881 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.299 16.019 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.474 18.393 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.086 17.708 -2.068 1.00 0.00 H new ATOM 490 N HIS A 54 15.599 14.396 -2.388 1.00 0.00 N ATOM 491 CA HIS A 54 16.634 13.959 -1.453 1.00 0.00 C ATOM 492 C HIS A 54 17.186 12.581 -1.812 1.00 0.00 C ATOM 493 O HIS A 54 18.222 12.168 -1.298 1.00 0.00 O ATOM 494 CB HIS A 54 16.095 13.962 -0.021 1.00 0.00 C ATOM 495 CG HIS A 54 15.718 15.326 0.463 1.00 0.00 C ATOM 496 ND1 HIS A 54 14.524 15.596 1.091 1.00 0.00 N ATOM 497 CD2 HIS A 54 16.385 16.504 0.405 1.00 0.00 C ATOM 498 CE1 HIS A 54 14.467 16.879 1.392 1.00 0.00 C ATOM 499 NE2 HIS A 54 15.585 17.451 0.989 1.00 0.00 N ATOM 0 H HIS A 54 14.721 13.881 -2.327 1.00 0.00 H new ATOM 0 HA HIS A 54 17.458 14.668 -1.525 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.223 13.310 0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 54 16.849 13.542 0.645 1.00 0.00 H new ATOM 0 HD1 HIS A 54 13.796 14.911 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.364 16.666 -0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 54 13.645 17.376 1.885 1.00 0.00 H new ATOM 508 N GLY A 55 16.496 11.875 -2.694 1.00 0.00 N ATOM 509 CA GLY A 55 16.912 10.551 -3.132 1.00 0.00 C ATOM 510 C GLY A 55 16.627 9.457 -2.114 1.00 0.00 C ATOM 511 O GLY A 55 16.588 8.282 -2.470 1.00 0.00 O ATOM 0 H GLY A 55 15.632 12.203 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.403 10.309 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.981 10.567 -3.346 1.00 0.00 H new ATOM 515 N GLY A 56 16.434 9.825 -0.853 1.00 0.00 N ATOM 516 CA GLY A 56 15.845 8.883 0.083 1.00 0.00 C ATOM 517 C GLY A 56 14.433 9.253 0.502 1.00 0.00 C ATOM 518 O GLY A 56 14.105 10.432 0.643 1.00 0.00 O ATOM 0 H GLY A 56 16.669 10.739 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.834 7.891 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.475 8.822 0.970 1.00 0.00 H new ATOM 522 N LEU A 57 13.603 8.233 0.712 1.00 0.00 N ATOM 523 CA LEU A 57 12.215 8.424 1.125 1.00 0.00 C ATOM 524 C LEU A 57 12.113 8.820 2.593 1.00 0.00 C ATOM 525 O LEU A 57 11.038 9.174 3.067 1.00 0.00 O ATOM 526 CB LEU A 57 11.397 7.152 0.882 1.00 0.00 C ATOM 527 CG LEU A 57 11.268 6.722 -0.581 1.00 0.00 C ATOM 528 CD1 LEU A 57 10.646 5.338 -0.678 1.00 0.00 C ATOM 529 CD2 LEU A 57 10.433 7.725 -1.363 1.00 0.00 C ATOM 0 H LEU A 57 13.872 7.255 0.601 1.00 0.00 H new ATOM 0 HA LEU A 57 11.811 9.236 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.851 6.336 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.397 7.301 1.288 1.00 0.00 H new ATOM 0 HG LEU A 57 12.268 6.688 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.562 5.049 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.275 4.619 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.655 5.352 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.353 7.401 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.437 7.789 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.910 8.704 -1.324 1.00 0.00 H new ATOM 541 N ASP A 58 13.229 8.753 3.310 1.00 0.00 N ATOM 542 CA ASP A 58 13.257 9.068 4.741 1.00 0.00 C ATOM 543 C ASP A 58 12.663 10.439 5.028 1.00 0.00 C ATOM 544 O ASP A 58 12.012 10.647 6.053 1.00 0.00 O ATOM 545 CB ASP A 58 14.686 9.016 5.282 1.00 0.00 C ATOM 546 CG ASP A 58 15.116 7.616 5.666 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.137 7.316 6.879 1.00 0.00 O ATOM 548 OD2 ASP A 58 15.421 6.807 4.763 1.00 0.00 O ATOM 0 H ASP A 58 14.134 8.482 2.924 1.00 0.00 H new ATOM 0 HA ASP A 58 12.650 8.314 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.370 9.408 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.764 9.667 6.153 1.00 0.00 H new ATOM 553 N THR A 59 12.878 11.361 4.109 1.00 0.00 N ATOM 554 CA THR A 59 12.416 12.727 4.279 1.00 0.00 C ATOM 555 C THR A 59 10.949 12.867 3.886 1.00 0.00 C ATOM 556 O THR A 59 10.327 13.903 4.114 1.00 0.00 O ATOM 557 CB THR A 59 13.279 13.697 3.451 1.00 0.00 C ATOM 558 OG1 THR A 59 13.235 13.348 2.059 1.00 0.00 O ATOM 559 CG2 THR A 59 14.721 13.668 3.928 1.00 0.00 C ATOM 0 H THR A 59 13.372 11.189 3.233 1.00 0.00 H new ATOM 0 HA THR A 59 12.512 12.980 5.335 1.00 0.00 H new ATOM 0 HB THR A 59 12.876 14.701 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.352 13.566 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.316 14.360 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.764 13.964 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.120 12.659 3.819 1.00 0.00 H new ATOM 567 N CYS A 60 10.389 11.807 3.327 1.00 0.00 N ATOM 568 CA CYS A 60 9.037 11.845 2.799 1.00 0.00 C ATOM 569 C CYS A 60 8.028 11.476 3.884 1.00 0.00 C ATOM 570 O CYS A 60 7.426 10.402 3.855 1.00 0.00 O ATOM 571 CB CYS A 60 8.927 10.888 1.609 1.00 0.00 C ATOM 572 SG CYS A 60 10.263 11.083 0.380 1.00 0.00 S ATOM 0 H CYS A 60 10.854 10.905 3.227 1.00 0.00 H new ATOM 0 HA CYS A 60 8.812 12.857 2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.932 9.862 1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.967 11.045 1.116 1.00 0.00 H new ATOM 577 N ASP A 61 7.857 12.371 4.845 1.00 0.00 N ATOM 578 CA ASP A 61 6.979 12.114 5.982 1.00 0.00 C ATOM 579 C ASP A 61 5.741 12.996 5.901 1.00 0.00 C ATOM 580 O ASP A 61 5.785 14.088 5.330 1.00 0.00 O ATOM 581 CB ASP A 61 7.730 12.388 7.286 1.00 0.00 C ATOM 582 CG ASP A 61 7.249 11.520 8.433 1.00 0.00 C ATOM 583 OD1 ASP A 61 6.316 11.931 9.156 1.00 0.00 O ATOM 584 OD2 ASP A 61 7.819 10.423 8.620 1.00 0.00 O ATOM 0 H ASP A 61 8.314 13.283 4.862 1.00 0.00 H new ATOM 0 HA ASP A 61 6.667 11.070 5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.795 12.218 7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.611 13.437 7.555 1.00 0.00 H new ATOM 589 N GLY A 62 4.639 12.522 6.472 1.00 0.00 N ATOM 590 CA GLY A 62 3.390 13.256 6.411 1.00 0.00 C ATOM 591 C GLY A 62 3.367 14.433 7.362 1.00 0.00 C ATOM 592 O GLY A 62 2.865 14.329 8.482 1.00 0.00 O ATOM 0 H GLY A 62 4.589 11.638 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.230 13.611 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.565 12.584 6.648 1.00 0.00 H new ATOM 596 N GLY A 63 3.894 15.556 6.908 1.00 0.00 N ATOM 597 CA GLY A 63 3.962 16.738 7.738 1.00 0.00 C ATOM 598 C GLY A 63 5.369 17.290 7.848 1.00 0.00 C ATOM 599 O GLY A 63 5.661 18.082 8.746 1.00 0.00 O ATOM 0 H GLY A 63 4.280 15.671 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.305 17.505 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.590 16.500 8.734 1.00 0.00 H new ATOM 603 N SER A 64 6.255 16.860 6.956 1.00 0.00 N ATOM 604 CA SER A 64 7.628 17.335 6.956 1.00 0.00 C ATOM 605 C SER A 64 8.201 17.339 5.539 1.00 0.00 C ATOM 606 O SER A 64 7.688 16.650 4.655 1.00 0.00 O ATOM 607 CB SER A 64 8.482 16.460 7.872 1.00 0.00 C ATOM 608 OG SER A 64 7.952 16.436 9.188 1.00 0.00 O ATOM 0 H SER A 64 6.043 16.182 6.224 1.00 0.00 H new ATOM 0 HA SER A 64 7.641 18.359 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.526 15.446 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.504 16.839 7.894 1.00 0.00 H new ATOM 0 HG SER A 64 8.514 15.869 9.757 1.00 0.00 H new ATOM 614 N ASN A 65 9.263 18.123 5.339 1.00 0.00 N ATOM 615 CA ASN A 65 9.953 18.227 4.046 1.00 0.00 C ATOM 616 C ASN A 65 8.999 18.600 2.917 1.00 0.00 C ATOM 617 O ASN A 65 9.080 18.055 1.812 1.00 0.00 O ATOM 618 CB ASN A 65 10.693 16.930 3.701 1.00 0.00 C ATOM 619 CG ASN A 65 11.964 16.742 4.517 1.00 0.00 C ATOM 620 OD1 ASN A 65 13.036 17.197 4.122 1.00 0.00 O ATOM 621 ND2 ASN A 65 11.866 16.060 5.651 1.00 0.00 N ATOM 0 H ASN A 65 9.672 18.706 6.069 1.00 0.00 H new ATOM 0 HA ASN A 65 10.684 19.029 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.029 16.082 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.944 16.931 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.695 15.900 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.962 15.696 5.951 1.00 0.00 H new ATOM 628 N GLY A 66 8.092 19.522 3.200 1.00 0.00 N ATOM 629 CA GLY A 66 7.183 20.011 2.182 1.00 0.00 C ATOM 630 C GLY A 66 5.948 19.149 2.022 1.00 0.00 C ATOM 631 O GLY A 66 4.939 19.603 1.478 1.00 0.00 O ATOM 0 H GLY A 66 7.968 19.943 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.879 21.027 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.709 20.062 1.229 1.00 0.00 H new ATOM 635 N ILE A 67 6.008 17.914 2.491 1.00 0.00 N ATOM 636 CA ILE A 67 4.866 17.022 2.405 1.00 0.00 C ATOM 637 C ILE A 67 3.936 17.269 3.582 1.00 0.00 C ATOM 638 O ILE A 67 4.349 17.144 4.730 1.00 0.00 O ATOM 639 CB ILE A 67 5.288 15.539 2.387 1.00 0.00 C ATOM 640 CG1 ILE A 67 6.206 15.269 1.195 1.00 0.00 C ATOM 641 CG2 ILE A 67 4.059 14.638 2.333 1.00 0.00 C ATOM 642 CD1 ILE A 67 6.561 13.809 1.025 1.00 0.00 C ATOM 0 H ILE A 67 6.832 17.508 2.934 1.00 0.00 H new ATOM 0 HA ILE A 67 4.354 17.233 1.466 1.00 0.00 H new ATOM 0 HB ILE A 67 5.835 15.317 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.722 15.625 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.123 15.846 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.373 13.594 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.436 14.819 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.488 14.855 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.214 13.692 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.074 13.453 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.651 13.229 0.873 1.00 0.00 H new ATOM 654 N PRO A 68 2.673 17.634 3.322 1.00 0.00 N ATOM 655 CA PRO A 68 1.720 17.944 4.377 1.00 0.00 C ATOM 656 C PRO A 68 1.175 16.688 5.047 1.00 0.00 C ATOM 657 O PRO A 68 1.200 15.600 4.464 1.00 0.00 O ATOM 658 CB PRO A 68 0.585 18.685 3.657 1.00 0.00 C ATOM 659 CG PRO A 68 0.989 18.787 2.221 1.00 0.00 C ATOM 660 CD PRO A 68 2.065 17.763 1.995 1.00 0.00 C ATOM 0 HA PRO A 68 2.185 18.527 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.356 18.145 3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.433 19.674 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.137 18.603 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.355 19.788 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.655 16.816 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.788 18.093 1.249 1.00 0.00 H new ATOM 668 N SER A 69 0.711 16.849 6.281 1.00 0.00 N ATOM 669 CA SER A 69 0.061 15.774 7.012 1.00 0.00 C ATOM 670 C SER A 69 -1.093 15.196 6.192 1.00 0.00 C ATOM 671 O SER A 69 -1.868 15.938 5.581 1.00 0.00 O ATOM 672 CB SER A 69 -0.443 16.301 8.354 1.00 0.00 C ATOM 673 OG SER A 69 0.629 16.827 9.121 1.00 0.00 O ATOM 0 H SER A 69 0.776 17.725 6.799 1.00 0.00 H new ATOM 0 HA SER A 69 0.781 14.976 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.192 17.075 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.931 15.498 8.906 1.00 0.00 H new ATOM 0 HG SER A 69 0.286 17.161 9.976 1.00 0.00 H new ATOM 679 N PRO A 70 -1.202 13.858 6.170 1.00 0.00 N ATOM 680 CA PRO A 70 -2.176 13.147 5.334 1.00 0.00 C ATOM 681 C PRO A 70 -3.619 13.482 5.691 1.00 0.00 C ATOM 682 O PRO A 70 -3.920 13.898 6.813 1.00 0.00 O ATOM 683 CB PRO A 70 -1.884 11.669 5.612 1.00 0.00 C ATOM 684 CG PRO A 70 -1.177 11.657 6.922 1.00 0.00 C ATOM 685 CD PRO A 70 -0.385 12.930 6.967 1.00 0.00 C ATOM 0 HA PRO A 70 -2.077 13.424 4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.804 11.086 5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.267 11.234 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.885 11.607 7.749 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.526 10.787 7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.251 13.286 7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.610 12.801 6.541 1.00 0.00 H new ATOM 693 N THR A 71 -4.498 13.295 4.724 1.00 0.00 N ATOM 694 CA THR A 71 -5.903 13.623 4.883 1.00 0.00 C ATOM 695 C THR A 71 -6.770 12.373 4.787 1.00 0.00 C ATOM 696 O THR A 71 -6.328 11.331 4.297 1.00 0.00 O ATOM 697 CB THR A 71 -6.346 14.637 3.811 1.00 0.00 C ATOM 698 OG1 THR A 71 -5.904 14.204 2.517 1.00 0.00 O ATOM 699 CG2 THR A 71 -5.785 16.019 4.105 1.00 0.00 C ATOM 0 H THR A 71 -4.259 12.913 3.809 1.00 0.00 H new ATOM 0 HA THR A 71 -6.030 14.065 5.871 1.00 0.00 H new ATOM 0 HB THR A 71 -7.434 14.695 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.190 14.852 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.112 16.716 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.144 16.358 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.696 15.975 4.116 1.00 0.00 H new ATOM 707 N THR A 72 -7.997 12.479 5.265 1.00 0.00 N ATOM 708 CA THR A 72 -8.934 11.380 5.177 1.00 0.00 C ATOM 709 C THR A 72 -10.071 11.713 4.225 1.00 0.00 C ATOM 710 O THR A 72 -10.755 12.723 4.386 1.00 0.00 O ATOM 711 CB THR A 72 -9.516 11.025 6.560 1.00 0.00 C ATOM 712 OG1 THR A 72 -9.777 12.224 7.304 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.566 10.131 7.339 1.00 0.00 C ATOM 0 H THR A 72 -8.365 13.316 5.717 1.00 0.00 H new ATOM 0 HA THR A 72 -8.384 10.519 4.796 1.00 0.00 H new ATOM 0 HB THR A 72 -10.449 10.482 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.148 11.991 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.001 9.896 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.398 9.208 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.616 10.647 7.482 1.00 0.00 H new ATOM 721 N THR A 73 -10.261 10.862 3.237 1.00 0.00 N ATOM 722 CA THR A 73 -11.383 10.979 2.332 1.00 0.00 C ATOM 723 C THR A 73 -12.564 10.198 2.893 1.00 0.00 C ATOM 724 O THR A 73 -12.438 9.561 3.943 1.00 0.00 O ATOM 725 CB THR A 73 -11.013 10.488 0.916 1.00 0.00 C ATOM 726 OG1 THR A 73 -10.351 9.223 0.990 1.00 0.00 O ATOM 727 CG2 THR A 73 -10.114 11.491 0.210 1.00 0.00 C ATOM 0 H THR A 73 -9.644 10.074 3.041 1.00 0.00 H new ATOM 0 HA THR A 73 -11.660 12.030 2.243 1.00 0.00 H new ATOM 0 HB THR A 73 -11.935 10.383 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.122 8.920 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.868 11.121 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.632 12.446 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.197 11.625 0.784 1.00 0.00 H new ATOM 735 N ARG A 74 -13.699 10.241 2.206 1.00 0.00 N ATOM 736 CA ARG A 74 -14.944 9.685 2.730 1.00 0.00 C ATOM 737 C ARG A 74 -14.800 8.225 3.173 1.00 0.00 C ATOM 738 O ARG A 74 -15.279 7.857 4.246 1.00 0.00 O ATOM 739 CB ARG A 74 -16.050 9.812 1.677 1.00 0.00 C ATOM 740 CG ARG A 74 -17.269 8.949 1.953 1.00 0.00 C ATOM 741 CD ARG A 74 -18.413 9.271 1.002 1.00 0.00 C ATOM 742 NE ARG A 74 -18.016 9.169 -0.403 1.00 0.00 N ATOM 743 CZ ARG A 74 -18.857 8.874 -1.397 1.00 0.00 C ATOM 744 NH1 ARG A 74 -20.132 8.611 -1.143 1.00 0.00 N ATOM 745 NH2 ARG A 74 -18.414 8.832 -2.648 1.00 0.00 N ATOM 0 H ARG A 74 -13.784 10.658 1.279 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.208 10.259 3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.362 10.855 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.642 9.545 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.000 7.897 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.597 9.100 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.243 8.590 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.775 10.279 1.202 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.037 9.333 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -20.476 8.633 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.769 8.386 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.433 9.025 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.055 8.607 -3.409 1.00 0.00 H new ATOM 759 N TYR A 75 -14.128 7.404 2.381 1.00 0.00 N ATOM 760 CA TYR A 75 -14.008 5.985 2.706 1.00 0.00 C ATOM 761 C TYR A 75 -12.675 5.651 3.373 1.00 0.00 C ATOM 762 O TYR A 75 -12.279 4.487 3.427 1.00 0.00 O ATOM 763 CB TYR A 75 -14.191 5.128 1.455 1.00 0.00 C ATOM 764 CG TYR A 75 -15.598 5.139 0.908 1.00 0.00 C ATOM 765 CD1 TYR A 75 -16.594 4.379 1.503 1.00 0.00 C ATOM 766 CD2 TYR A 75 -15.929 5.905 -0.200 1.00 0.00 C ATOM 767 CE1 TYR A 75 -17.883 4.380 1.007 1.00 0.00 C ATOM 768 CE2 TYR A 75 -17.215 5.912 -0.702 1.00 0.00 C ATOM 769 CZ TYR A 75 -18.190 5.148 -0.095 1.00 0.00 C ATOM 770 OH TYR A 75 -19.475 5.154 -0.591 1.00 0.00 O ATOM 0 H TYR A 75 -13.662 7.687 1.519 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.800 5.759 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.508 5.480 0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.909 4.101 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -16.358 3.777 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -15.169 6.505 -0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -18.647 3.781 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -17.457 6.513 -1.566 1.00 0.00 H new ATOM 0 HH TYR A 75 -19.523 5.748 -1.369 1.00 0.00 H new ATOM 780 N VAL A 76 -11.976 6.662 3.870 1.00 0.00 N ATOM 781 CA VAL A 76 -10.766 6.434 4.648 1.00 0.00 C ATOM 782 C VAL A 76 -11.052 6.665 6.125 1.00 0.00 C ATOM 783 O VAL A 76 -11.623 7.689 6.505 1.00 0.00 O ATOM 784 CB VAL A 76 -9.601 7.350 4.214 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.388 7.141 5.111 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.226 7.087 2.768 1.00 0.00 C ATOM 0 H VAL A 76 -12.224 7.644 3.749 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.463 5.402 4.470 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.932 8.384 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.579 7.796 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.653 7.374 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.062 6.103 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.403 7.742 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.919 6.047 2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.086 7.283 2.128 1.00 0.00 H new ATOM 796 N SER A 77 -10.670 5.708 6.950 1.00 0.00 N ATOM 797 CA SER A 77 -10.900 5.814 8.378 1.00 0.00 C ATOM 798 C SER A 77 -9.687 6.432 9.068 1.00 0.00 C ATOM 799 O SER A 77 -9.827 7.300 9.932 1.00 0.00 O ATOM 800 CB SER A 77 -11.220 4.436 8.972 1.00 0.00 C ATOM 801 OG SER A 77 -11.577 4.533 10.341 1.00 0.00 O ATOM 0 H SER A 77 -10.201 4.851 6.657 1.00 0.00 H new ATOM 0 HA SER A 77 -11.757 6.466 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.036 3.978 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.354 3.782 8.866 1.00 0.00 H new ATOM 0 HG SER A 77 -11.777 3.640 10.691 1.00 0.00 H new ATOM 807 N ALA A 78 -8.497 6.008 8.659 1.00 0.00 N ATOM 808 CA ALA A 78 -7.265 6.512 9.238 1.00 0.00 C ATOM 809 C ALA A 78 -6.130 6.382 8.240 1.00 0.00 C ATOM 810 O ALA A 78 -6.225 5.605 7.285 1.00 0.00 O ATOM 811 CB ALA A 78 -6.931 5.772 10.524 1.00 0.00 C ATOM 0 H ALA A 78 -8.363 5.313 7.925 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.402 7.566 9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.004 6.166 10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.739 5.909 11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.811 4.710 10.312 1.00 0.00 H new ATOM 817 N MET A 79 -5.063 7.133 8.460 1.00 0.00 N ATOM 818 CA MET A 79 -3.941 7.158 7.536 1.00 0.00 C ATOM 819 C MET A 79 -2.679 7.686 8.204 1.00 0.00 C ATOM 820 O MET A 79 -2.742 8.377 9.220 1.00 0.00 O ATOM 821 CB MET A 79 -4.275 7.985 6.281 1.00 0.00 C ATOM 822 CG MET A 79 -5.107 9.251 6.522 1.00 0.00 C ATOM 823 SD MET A 79 -4.317 10.464 7.605 1.00 0.00 S ATOM 824 CE MET A 79 -5.304 10.333 9.095 1.00 0.00 C ATOM 0 H MET A 79 -4.950 7.736 9.275 1.00 0.00 H new ATOM 0 HA MET A 79 -3.751 6.130 7.228 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.341 8.272 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.813 7.347 5.580 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.318 9.721 5.562 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.066 8.965 6.954 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.762 11.298 9.314 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.084 9.585 8.950 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.667 10.036 9.928 1.00 0.00 H new ATOM 834 N SER A 80 -1.539 7.320 7.643 1.00 0.00 N ATOM 835 CA SER A 80 -0.255 7.808 8.124 1.00 0.00 C ATOM 836 C SER A 80 0.803 7.717 7.033 1.00 0.00 C ATOM 837 O SER A 80 0.823 6.763 6.258 1.00 0.00 O ATOM 838 CB SER A 80 0.188 7.011 9.355 1.00 0.00 C ATOM 839 OG SER A 80 0.295 5.629 9.056 1.00 0.00 O ATOM 0 H SER A 80 -1.475 6.683 6.849 1.00 0.00 H new ATOM 0 HA SER A 80 -0.372 8.855 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.149 7.385 9.708 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.528 7.157 10.164 1.00 0.00 H new ATOM 0 HG SER A 80 0.581 5.142 9.857 1.00 0.00 H new ATOM 845 N VAL A 81 1.669 8.719 6.974 1.00 0.00 N ATOM 846 CA VAL A 81 2.778 8.730 6.032 1.00 0.00 C ATOM 847 C VAL A 81 4.084 8.878 6.797 1.00 0.00 C ATOM 848 O VAL A 81 4.276 9.865 7.511 1.00 0.00 O ATOM 849 CB VAL A 81 2.659 9.891 5.014 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.747 9.802 3.952 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.283 9.911 4.371 1.00 0.00 C ATOM 0 H VAL A 81 1.623 9.542 7.574 1.00 0.00 H new ATOM 0 HA VAL A 81 2.756 7.790 5.480 1.00 0.00 H new ATOM 0 HB VAL A 81 2.794 10.826 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.639 10.629 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.726 9.855 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.656 8.857 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.225 10.735 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.112 8.970 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.523 10.042 5.141 1.00 0.00 H new ATOM 861 N ALA A 82 4.970 7.905 6.660 1.00 0.00 N ATOM 862 CA ALA A 82 6.244 7.934 7.356 1.00 0.00 C ATOM 863 C ALA A 82 7.341 7.382 6.460 1.00 0.00 C ATOM 864 O ALA A 82 7.393 6.188 6.186 1.00 0.00 O ATOM 865 CB ALA A 82 6.158 7.130 8.641 1.00 0.00 C ATOM 0 H ALA A 82 4.829 7.084 6.072 1.00 0.00 H new ATOM 0 HA ALA A 82 6.484 8.967 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.119 7.159 9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.390 7.556 9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.903 6.096 8.407 1.00 0.00 H new ATOM 871 N LYS A 83 8.208 8.277 6.025 1.00 0.00 N ATOM 872 CA LYS A 83 9.321 7.927 5.140 1.00 0.00 C ATOM 873 C LYS A 83 8.798 7.197 3.890 1.00 0.00 C ATOM 874 O LYS A 83 9.382 6.210 3.435 1.00 0.00 O ATOM 875 CB LYS A 83 10.330 7.035 5.869 1.00 0.00 C ATOM 876 CG LYS A 83 10.917 7.652 7.126 1.00 0.00 C ATOM 877 CD LYS A 83 11.795 6.652 7.860 1.00 0.00 C ATOM 878 CE LYS A 83 12.415 7.251 9.112 1.00 0.00 C ATOM 879 NZ LYS A 83 13.436 8.280 8.793 1.00 0.00 N ATOM 0 H LYS A 83 8.167 9.266 6.270 1.00 0.00 H new ATOM 0 HA LYS A 83 9.818 8.849 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.843 6.096 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.143 6.791 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.503 8.533 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.113 7.987 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.202 5.779 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.585 6.306 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.632 7.696 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.873 6.458 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.130 8.332 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.921 8.026 7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.974 9.205 8.681 1.00 0.00 H new ATOM 893 N GLY A 84 7.685 7.684 3.356 1.00 0.00 N ATOM 894 CA GLY A 84 7.046 7.054 2.212 1.00 0.00 C ATOM 895 C GLY A 84 6.115 5.913 2.601 1.00 0.00 C ATOM 896 O GLY A 84 5.213 5.560 1.845 1.00 0.00 O ATOM 0 H GLY A 84 7.206 8.516 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.480 7.805 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.814 6.675 1.538 1.00 0.00 H new ATOM 900 N VAL A 85 6.341 5.337 3.775 1.00 0.00 N ATOM 901 CA VAL A 85 5.500 4.256 4.283 1.00 0.00 C ATOM 902 C VAL A 85 4.130 4.797 4.653 1.00 0.00 C ATOM 903 O VAL A 85 4.025 5.828 5.313 1.00 0.00 O ATOM 904 CB VAL A 85 6.137 3.568 5.511 1.00 0.00 C ATOM 905 CG1 VAL A 85 5.297 2.385 5.967 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.560 3.131 5.200 1.00 0.00 C ATOM 0 H VAL A 85 7.104 5.601 4.398 1.00 0.00 H new ATOM 0 HA VAL A 85 5.402 3.511 3.493 1.00 0.00 H new ATOM 0 HB VAL A 85 6.171 4.291 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.766 1.918 6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.299 2.730 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.223 1.658 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.992 2.649 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.551 2.428 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.158 4.002 4.933 1.00 0.00 H new ATOM 916 N VAL A 86 3.076 4.109 4.247 1.00 0.00 N ATOM 917 CA VAL A 86 1.732 4.613 4.450 1.00 0.00 C ATOM 918 C VAL A 86 0.811 3.512 4.972 1.00 0.00 C ATOM 919 O VAL A 86 0.649 2.460 4.352 1.00 0.00 O ATOM 920 CB VAL A 86 1.138 5.233 3.162 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.900 6.491 2.776 1.00 0.00 C ATOM 922 CG2 VAL A 86 1.151 4.239 2.013 1.00 0.00 C ATOM 0 H VAL A 86 3.126 3.205 3.777 1.00 0.00 H new ATOM 0 HA VAL A 86 1.803 5.404 5.197 1.00 0.00 H new ATOM 0 HB VAL A 86 0.101 5.497 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.469 6.913 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.832 7.220 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.946 6.243 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.727 4.705 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.177 3.933 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.558 3.365 2.282 1.00 0.00 H new ATOM 932 N SER A 87 0.259 3.743 6.148 1.00 0.00 N ATOM 933 CA SER A 87 -0.706 2.819 6.725 1.00 0.00 C ATOM 934 C SER A 87 -2.121 3.372 6.582 1.00 0.00 C ATOM 935 O SER A 87 -2.429 4.464 7.065 1.00 0.00 O ATOM 936 CB SER A 87 -0.376 2.564 8.200 1.00 0.00 C ATOM 937 OG SER A 87 0.981 2.170 8.357 1.00 0.00 O ATOM 0 H SER A 87 0.460 4.561 6.724 1.00 0.00 H new ATOM 0 HA SER A 87 -0.650 1.873 6.187 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.566 3.467 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.032 1.788 8.594 1.00 0.00 H new ATOM 0 HG SER A 87 1.169 2.015 9.306 1.00 0.00 H new ATOM 943 N LEU A 88 -2.967 2.611 5.897 1.00 0.00 N ATOM 944 CA LEU A 88 -4.341 3.018 5.630 1.00 0.00 C ATOM 945 C LEU A 88 -5.290 2.076 6.357 1.00 0.00 C ATOM 946 O LEU A 88 -5.394 0.902 6.003 1.00 0.00 O ATOM 947 CB LEU A 88 -4.671 2.979 4.124 1.00 0.00 C ATOM 948 CG LEU A 88 -3.784 3.810 3.174 1.00 0.00 C ATOM 949 CD1 LEU A 88 -3.583 5.225 3.694 1.00 0.00 C ATOM 950 CD2 LEU A 88 -2.446 3.125 2.926 1.00 0.00 C ATOM 0 H LEU A 88 -2.721 1.699 5.513 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.458 4.043 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.629 1.940 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.701 3.312 3.998 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.307 3.880 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.953 5.782 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.550 5.720 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.102 5.189 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.844 3.735 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.920 3.001 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.616 2.147 2.475 1.00 0.00 H new ATOM 962 N THR A 89 -5.972 2.575 7.368 1.00 0.00 N ATOM 963 CA THR A 89 -6.875 1.742 8.141 1.00 0.00 C ATOM 964 C THR A 89 -8.327 2.075 7.809 1.00 0.00 C ATOM 965 O THR A 89 -8.655 3.227 7.501 1.00 0.00 O ATOM 966 CB THR A 89 -6.612 1.908 9.653 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.222 1.673 9.926 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.454 0.945 10.480 1.00 0.00 C ATOM 0 H THR A 89 -5.920 3.547 7.673 1.00 0.00 H new ATOM 0 HA THR A 89 -6.691 0.701 7.876 1.00 0.00 H new ATOM 0 HB THR A 89 -6.888 2.925 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.054 1.780 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.241 1.092 11.539 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.511 1.133 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.213 -0.081 10.201 1.00 0.00 H new ATOM 976 N GLY A 90 -9.189 1.061 7.884 1.00 0.00 N ATOM 977 CA GLY A 90 -10.593 1.235 7.552 1.00 0.00 C ATOM 978 C GLY A 90 -10.793 1.766 6.151 1.00 0.00 C ATOM 979 O GLY A 90 -11.539 2.723 5.941 1.00 0.00 O ATOM 0 H GLY A 90 -8.936 0.116 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.108 0.280 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.050 1.920 8.266 1.00 0.00 H new ATOM 983 N GLN A 91 -10.110 1.158 5.201 1.00 0.00 N ATOM 984 CA GLN A 91 -10.143 1.625 3.825 1.00 0.00 C ATOM 985 C GLN A 91 -11.289 0.963 3.069 1.00 0.00 C ATOM 986 O GLN A 91 -11.389 -0.256 3.044 1.00 0.00 O ATOM 987 CB GLN A 91 -8.805 1.296 3.159 1.00 0.00 C ATOM 988 CG GLN A 91 -8.571 1.994 1.832 1.00 0.00 C ATOM 989 CD GLN A 91 -8.673 3.501 1.950 1.00 0.00 C ATOM 990 OE1 GLN A 91 -7.702 4.172 2.293 1.00 0.00 O ATOM 991 NE2 GLN A 91 -9.834 4.048 1.629 1.00 0.00 N ATOM 0 H GLN A 91 -9.524 0.338 5.355 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.304 2.703 3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.999 1.563 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.747 0.219 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.585 1.727 1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.300 1.639 1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.616 3.456 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.947 5.061 1.661 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.145 1.771 2.450 1.00 0.00 N ATOM 1001 CA GLU A 92 -13.274 1.265 1.666 1.00 0.00 C ATOM 1002 C GLU A 92 -14.143 0.313 2.497 1.00 0.00 C ATOM 1003 O GLU A 92 -14.370 0.542 3.686 1.00 0.00 O ATOM 1004 CB GLU A 92 -12.773 0.552 0.405 1.00 0.00 C ATOM 1005 CG GLU A 92 -11.913 1.420 -0.493 1.00 0.00 C ATOM 1006 CD GLU A 92 -12.510 2.790 -0.719 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -11.909 3.779 -0.254 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -13.589 2.887 -1.346 1.00 0.00 O ATOM 0 H GLU A 92 -12.079 2.789 2.475 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.886 2.118 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.200 -0.327 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.632 0.196 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.923 1.527 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.779 0.923 -1.454 1.00 0.00 H new ATOM 1015 N SER A 93 -14.630 -0.750 1.860 1.00 0.00 N ATOM 1016 CA SER A 93 -15.401 -1.792 2.535 1.00 0.00 C ATOM 1017 C SER A 93 -14.546 -2.551 3.553 1.00 0.00 C ATOM 1018 O SER A 93 -15.062 -3.303 4.381 1.00 0.00 O ATOM 1019 CB SER A 93 -15.940 -2.769 1.495 1.00 0.00 C ATOM 1020 OG SER A 93 -16.547 -2.078 0.417 1.00 0.00 O ATOM 0 H SER A 93 -14.501 -0.913 0.861 1.00 0.00 H new ATOM 0 HA SER A 93 -16.222 -1.317 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.128 -3.392 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.666 -3.436 1.959 1.00 0.00 H new ATOM 0 HG SER A 93 -16.884 -2.725 -0.238 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.240 -2.342 3.484 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.272 -3.083 4.279 1.00 0.00 C ATOM 1028 C LEU A 94 -12.181 -2.514 5.695 1.00 0.00 C ATOM 1029 O LEU A 94 -11.093 -2.341 6.236 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.897 -3.045 3.604 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.877 -3.461 2.127 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.513 -3.185 1.519 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.244 -4.931 1.968 1.00 0.00 C ATOM 0 H LEU A 94 -12.818 -1.647 2.869 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.605 -4.118 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.500 -2.033 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.221 -3.698 4.157 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.623 -2.868 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.514 -3.485 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.291 -2.120 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.753 -3.751 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.222 -5.199 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.528 -5.546 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.245 -5.101 2.365 1.00 0.00 H new ATOM 1045 N ASN A 95 -13.323 -2.158 6.261 1.00 0.00 N ATOM 1046 CA ASN A 95 -13.378 -1.637 7.621 1.00 0.00 C ATOM 1047 C ASN A 95 -12.730 -2.621 8.600 1.00 0.00 C ATOM 1048 O ASN A 95 -12.910 -3.838 8.493 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.830 -1.336 8.026 1.00 0.00 C ATOM 1050 CG ASN A 95 -15.716 -2.569 8.042 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -16.300 -2.939 7.026 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -15.845 -3.195 9.200 1.00 0.00 N ATOM 0 H ASN A 95 -14.230 -2.220 5.798 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.816 -0.704 7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.837 -0.879 9.016 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -15.249 -0.605 7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -16.446 -4.016 9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -15.343 -2.857 10.021 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.963 -2.086 9.539 1.00 0.00 N ATOM 1060 CA GLY A 96 -11.201 -2.918 10.453 1.00 0.00 C ATOM 1061 C GLY A 96 -9.858 -3.336 9.882 1.00 0.00 C ATOM 1062 O GLY A 96 -8.950 -3.717 10.620 1.00 0.00 O ATOM 0 H GLY A 96 -11.853 -1.083 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.042 -2.376 11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.781 -3.808 10.697 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.728 -3.260 8.568 1.00 0.00 N ATOM 1067 CA LEU A 97 -8.521 -3.693 7.888 1.00 0.00 C ATOM 1068 C LEU A 97 -7.528 -2.542 7.795 1.00 0.00 C ATOM 1069 O LEU A 97 -7.913 -1.398 7.557 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.895 -4.222 6.498 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.759 -4.765 5.625 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.306 -5.785 4.642 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -7.081 -3.641 4.858 1.00 0.00 C ATOM 0 H LEU A 97 -10.452 -2.899 7.947 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.043 -4.494 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.631 -5.015 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.386 -3.417 5.951 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.024 -5.238 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.493 -6.167 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.764 -6.609 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.054 -5.312 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.278 -4.051 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.810 -3.147 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.668 -2.918 5.561 1.00 0.00 H new ATOM 1085 N SER A 98 -6.260 -2.846 8.007 1.00 0.00 N ATOM 1086 CA SER A 98 -5.211 -1.853 7.882 1.00 0.00 C ATOM 1087 C SER A 98 -4.214 -2.281 6.813 1.00 0.00 C ATOM 1088 O SER A 98 -3.660 -3.379 6.875 1.00 0.00 O ATOM 1089 CB SER A 98 -4.502 -1.660 9.226 1.00 0.00 C ATOM 1090 OG SER A 98 -3.668 -0.512 9.213 1.00 0.00 O ATOM 0 H SER A 98 -5.932 -3.776 8.267 1.00 0.00 H new ATOM 0 HA SER A 98 -5.656 -0.903 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.243 -1.564 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.904 -2.543 9.454 1.00 0.00 H new ATOM 0 HG SER A 98 -4.194 0.277 9.460 1.00 0.00 H new ATOM 1096 N VAL A 99 -4.017 -1.429 5.821 1.00 0.00 N ATOM 1097 CA VAL A 99 -3.044 -1.682 4.775 1.00 0.00 C ATOM 1098 C VAL A 99 -1.751 -0.971 5.123 1.00 0.00 C ATOM 1099 O VAL A 99 -1.759 0.231 5.377 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.525 -1.169 3.398 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.574 -1.598 2.294 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -4.936 -1.638 3.099 1.00 0.00 C ATOM 0 H VAL A 99 -4.523 -0.549 5.719 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.901 -2.761 4.709 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.533 -0.080 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.936 -1.224 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.582 -1.192 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.521 -2.686 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.246 -1.261 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.963 -2.728 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.614 -1.263 3.865 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.643 -1.688 5.139 1.00 0.00 N ATOM 1113 CA VAL A 100 0.631 -1.075 5.443 1.00 0.00 C ATOM 1114 C VAL A 100 1.519 -1.151 4.216 1.00 0.00 C ATOM 1115 O VAL A 100 2.052 -2.212 3.886 1.00 0.00 O ATOM 1116 CB VAL A 100 1.339 -1.759 6.632 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.626 -1.024 6.988 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.415 -1.833 7.838 1.00 0.00 C ATOM 0 H VAL A 100 -0.601 -2.689 4.946 1.00 0.00 H new ATOM 0 HA VAL A 100 0.446 -0.038 5.725 1.00 0.00 H new ATOM 0 HB VAL A 100 1.596 -2.776 6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.109 -1.522 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.297 -1.028 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.393 0.005 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.934 -2.319 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.123 -0.826 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.474 -2.408 7.580 1.00 0.00 H new ATOM 1128 N MET A 101 1.643 -0.039 3.521 1.00 0.00 N ATOM 1129 CA MET A 101 2.442 0.000 2.314 1.00 0.00 C ATOM 1130 C MET A 101 3.818 0.572 2.621 1.00 0.00 C ATOM 1131 O MET A 101 3.958 1.753 2.935 1.00 0.00 O ATOM 1132 CB MET A 101 1.738 0.816 1.230 1.00 0.00 C ATOM 1133 CG MET A 101 2.354 0.642 -0.144 1.00 0.00 C ATOM 1134 SD MET A 101 1.400 1.436 -1.454 1.00 0.00 S ATOM 1135 CE MET A 101 -0.195 0.638 -1.264 1.00 0.00 C ATOM 0 H MET A 101 1.202 0.847 3.770 1.00 0.00 H new ATOM 0 HA MET A 101 2.566 -1.016 1.939 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.688 0.525 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.766 1.871 1.503 1.00 0.00 H new ATOM 0 HG2 MET A 101 3.363 1.053 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.445 -0.422 -0.363 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.624 0.443 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.069 -0.304 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.863 1.289 -0.699 1.00 0.00 H new ATOM 1145 N THR A 102 4.822 -0.285 2.550 1.00 0.00 N ATOM 1146 CA THR A 102 6.188 0.092 2.865 1.00 0.00 C ATOM 1147 C THR A 102 7.062 0.077 1.611 1.00 0.00 C ATOM 1148 O THR A 102 7.513 -0.983 1.176 1.00 0.00 O ATOM 1149 CB THR A 102 6.788 -0.874 3.908 1.00 0.00 C ATOM 1150 OG1 THR A 102 5.905 -0.985 5.036 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.155 -0.397 4.377 1.00 0.00 C ATOM 0 H THR A 102 4.713 -1.260 2.273 1.00 0.00 H new ATOM 0 HA THR A 102 6.166 1.103 3.273 1.00 0.00 H new ATOM 0 HB THR A 102 6.907 -1.849 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.290 -1.601 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.553 -1.098 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.833 -0.341 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.060 0.589 4.831 1.00 0.00 H new ATOM 1159 N PRO A 103 7.280 1.243 0.989 1.00 0.00 N ATOM 1160 CA PRO A 103 8.205 1.361 -0.136 1.00 0.00 C ATOM 1161 C PRO A 103 9.634 1.055 0.298 1.00 0.00 C ATOM 1162 O PRO A 103 10.121 1.595 1.293 1.00 0.00 O ATOM 1163 CB PRO A 103 8.076 2.824 -0.571 1.00 0.00 C ATOM 1164 CG PRO A 103 7.489 3.529 0.605 1.00 0.00 C ATOM 1165 CD PRO A 103 6.638 2.519 1.317 1.00 0.00 C ATOM 0 HA PRO A 103 7.976 0.660 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.046 3.243 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.436 2.920 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.272 3.910 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.894 4.385 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.620 2.695 2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.605 2.549 0.972 1.00 0.00 H new ATOM 1173 N GLY A 104 10.288 0.181 -0.450 1.00 0.00 N ATOM 1174 CA GLY A 104 11.628 -0.233 -0.100 1.00 0.00 C ATOM 1175 C GLY A 104 12.678 0.714 -0.628 1.00 0.00 C ATOM 1176 O GLY A 104 13.586 1.105 0.103 1.00 0.00 O ATOM 0 H GLY A 104 9.913 -0.250 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.714 -0.298 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.812 -1.232 -0.495 1.00 0.00 H new ATOM 1291 N GLY A 113 10.021 -0.984 -5.153 1.00 0.00 N ATOM 1292 CA GLY A 113 8.597 -0.750 -5.116 1.00 0.00 C ATOM 1293 C GLY A 113 8.044 -0.745 -3.705 1.00 0.00 C ATOM 1294 O GLY A 113 8.744 -0.387 -2.754 1.00 0.00 O ATOM 0 HA2 GLY A 113 8.377 0.206 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.091 -1.520 -5.698 1.00 0.00 H new ATOM 1298 N TRP A 114 6.795 -1.161 -3.566 1.00 0.00 N ATOM 1299 CA TRP A 114 6.104 -1.092 -2.290 1.00 0.00 C ATOM 1300 C TRP A 114 5.823 -2.480 -1.728 1.00 0.00 C ATOM 1301 O TRP A 114 5.385 -3.380 -2.448 1.00 0.00 O ATOM 1302 CB TRP A 114 4.781 -0.336 -2.444 1.00 0.00 C ATOM 1303 CG TRP A 114 4.932 1.076 -2.922 1.00 0.00 C ATOM 1304 CD1 TRP A 114 4.967 2.204 -2.154 1.00 0.00 C ATOM 1305 CD2 TRP A 114 5.056 1.514 -4.280 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.106 3.314 -2.949 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.166 2.915 -4.258 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.087 0.857 -5.513 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.304 3.669 -5.419 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 5.226 1.606 -6.664 1.00 0.00 C ATOM 1311 CH2 TRP A 114 5.332 2.999 -6.609 1.00 0.00 C ATOM 0 H TRP A 114 6.238 -1.552 -4.326 1.00 0.00 H new ATOM 0 HA TRP A 114 6.756 -0.563 -1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.145 -0.878 -3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.265 -0.329 -1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 114 4.896 2.221 -1.076 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.156 4.278 -2.619 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.004 -0.219 -5.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.386 4.745 -5.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.253 1.108 -7.622 1.00 0.00 H new ATOM 0 HH2 TRP A 114 5.438 3.557 -7.527 1.00 0.00 H new ATOM 1322 N ALA A 115 6.077 -2.652 -0.444 1.00 0.00 N ATOM 1323 CA ALA A 115 5.650 -3.843 0.258 1.00 0.00 C ATOM 1324 C ALA A 115 4.263 -3.606 0.827 1.00 0.00 C ATOM 1325 O ALA A 115 4.055 -2.673 1.595 1.00 0.00 O ATOM 1326 CB ALA A 115 6.626 -4.200 1.367 1.00 0.00 C ATOM 0 H ALA A 115 6.579 -1.978 0.134 1.00 0.00 H new ATOM 0 HA ALA A 115 5.624 -4.681 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.282 -5.099 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.612 -4.381 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.685 -3.377 2.079 1.00 0.00 H new ATOM 1332 N ARG A 116 3.311 -4.421 0.423 1.00 0.00 N ATOM 1333 CA ARG A 116 1.941 -4.236 0.866 1.00 0.00 C ATOM 1334 C ARG A 116 1.533 -5.332 1.829 1.00 0.00 C ATOM 1335 O ARG A 116 1.881 -6.500 1.647 1.00 0.00 O ATOM 1336 CB ARG A 116 0.958 -4.210 -0.304 1.00 0.00 C ATOM 1337 CG ARG A 116 1.027 -2.965 -1.185 1.00 0.00 C ATOM 1338 CD ARG A 116 2.167 -3.034 -2.186 1.00 0.00 C ATOM 1339 NE ARG A 116 1.838 -2.349 -3.435 1.00 0.00 N ATOM 1340 CZ ARG A 116 2.558 -2.460 -4.551 1.00 0.00 C ATOM 1341 NH1 ARG A 116 3.703 -3.123 -4.530 1.00 0.00 N ATOM 1342 NH2 ARG A 116 2.149 -1.887 -5.676 1.00 0.00 N ATOM 0 H ARG A 116 3.456 -5.211 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 116 1.905 -3.270 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.137 -5.086 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.054 -4.300 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.084 -2.847 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.151 -2.083 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.060 -2.586 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.404 -4.077 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 116 1.011 -1.753 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.031 -3.547 -3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.257 -3.211 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.278 -1.357 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.706 -1.977 -6.526 1.00 0.00 H new ATOM 1356 N ASN A 117 0.800 -4.944 2.852 1.00 0.00 N ATOM 1357 CA ASN A 117 0.237 -5.890 3.792 1.00 0.00 C ATOM 1358 C ASN A 117 -1.145 -5.434 4.205 1.00 0.00 C ATOM 1359 O ASN A 117 -1.319 -4.303 4.654 1.00 0.00 O ATOM 1360 CB ASN A 117 1.122 -6.038 5.032 1.00 0.00 C ATOM 1361 CG ASN A 117 0.510 -6.976 6.057 1.00 0.00 C ATOM 1362 OD1 ASN A 117 -0.166 -6.543 6.988 1.00 0.00 O ATOM 1363 ND2 ASN A 117 0.731 -8.268 5.884 1.00 0.00 N ATOM 0 H ASN A 117 0.579 -3.969 3.054 1.00 0.00 H new ATOM 0 HA ASN A 117 0.176 -6.861 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.102 -6.413 4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.279 -5.059 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.335 -8.945 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.298 -8.588 5.099 1.00 0.00 H new ATOM 1370 N CYS A 118 -2.125 -6.294 4.027 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.474 -5.988 4.454 1.00 0.00 C ATOM 1372 C CYS A 118 -3.788 -6.767 5.720 1.00 0.00 C ATOM 1373 O CYS A 118 -3.847 -7.997 5.699 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.464 -6.340 3.343 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.124 -5.506 1.757 1.00 0.00 S ATOM 0 H CYS A 118 -2.014 -7.209 3.590 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.561 -4.922 4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.449 -7.418 3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.470 -6.079 3.671 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.987 -6.056 6.820 1.00 0.00 N ATOM 1381 CA ASN A 119 -4.186 -6.698 8.111 1.00 0.00 C ATOM 1382 C ASN A 119 -5.624 -6.553 8.588 1.00 0.00 C ATOM 1383 O ASN A 119 -6.051 -5.473 9.004 1.00 0.00 O ATOM 1384 CB ASN A 119 -3.236 -6.106 9.153 1.00 0.00 C ATOM 1385 CG ASN A 119 -3.318 -6.837 10.480 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -3.587 -8.037 10.524 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -3.089 -6.123 11.569 1.00 0.00 N ATOM 0 H ASN A 119 -4.015 -5.037 6.845 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.971 -7.759 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.214 -6.150 8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -3.475 -5.053 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.132 -6.565 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.869 -5.130 11.491 1.00 0.00 H new ATOM 1394 N ILE A 120 -6.362 -7.643 8.508 1.00 0.00 N ATOM 1395 CA ILE A 120 -7.724 -7.697 9.000 1.00 0.00 C ATOM 1396 C ILE A 120 -7.927 -9.000 9.786 1.00 0.00 C ATOM 1397 O ILE A 120 -8.043 -10.084 9.207 1.00 0.00 O ATOM 1398 CB ILE A 120 -8.728 -7.569 7.834 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -10.171 -7.741 8.309 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -8.400 -8.562 6.732 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -10.678 -6.612 9.177 1.00 0.00 C ATOM 0 H ILE A 120 -6.033 -8.518 8.099 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.905 -6.858 9.671 1.00 0.00 H new ATOM 0 HB ILE A 120 -8.636 -6.561 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.820 -7.834 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -10.249 -8.675 8.865 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -9.119 -8.455 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.396 -8.368 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -8.449 -9.576 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -11.708 -6.813 9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -10.056 -6.531 10.069 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -10.635 -5.677 8.619 1.00 0.00 H new ATOM 1413 N GLN A 121 -7.954 -8.896 11.108 1.00 0.00 N ATOM 1414 CA GLN A 121 -7.886 -10.076 11.966 1.00 0.00 C ATOM 1415 C GLN A 121 -9.181 -10.895 11.967 1.00 0.00 C ATOM 1416 O GLN A 121 -9.132 -12.124 11.984 1.00 0.00 O ATOM 1417 CB GLN A 121 -7.501 -9.678 13.398 1.00 0.00 C ATOM 1418 CG GLN A 121 -8.447 -8.682 14.052 1.00 0.00 C ATOM 1419 CD GLN A 121 -7.982 -8.251 15.431 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -8.245 -7.129 15.863 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -7.296 -9.138 16.138 1.00 0.00 N ATOM 0 H GLN A 121 -8.022 -8.011 11.610 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.112 -10.719 11.548 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -7.459 -10.577 14.013 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.497 -9.253 13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -8.541 -7.803 13.414 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -9.439 -9.127 14.130 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.097 -10.059 15.746 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.967 -8.900 17.074 1.00 0.00 H new ATOM 1430 N SER A 122 -10.332 -10.234 11.941 1.00 0.00 N ATOM 1431 CA SER A 122 -11.602 -10.951 12.055 1.00 0.00 C ATOM 1432 C SER A 122 -12.274 -11.198 10.705 1.00 0.00 C ATOM 1433 O SER A 122 -13.347 -11.798 10.647 1.00 0.00 O ATOM 1434 CB SER A 122 -12.553 -10.183 12.973 1.00 0.00 C ATOM 1435 OG SER A 122 -12.013 -10.078 14.281 1.00 0.00 O ATOM 0 H SER A 122 -10.416 -9.222 11.844 1.00 0.00 H new ATOM 0 HA SER A 122 -11.374 -11.929 12.480 1.00 0.00 H new ATOM 0 HB2 SER A 122 -12.733 -9.187 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 122 -13.517 -10.690 13.012 1.00 0.00 H new ATOM 0 HG SER A 122 -12.635 -9.582 14.853 1.00 0.00 H new ATOM 1441 N ASP A 123 -11.650 -10.764 9.619 1.00 0.00 N ATOM 1442 CA ASP A 123 -12.269 -10.893 8.301 1.00 0.00 C ATOM 1443 C ASP A 123 -11.230 -11.152 7.220 1.00 0.00 C ATOM 1444 O ASP A 123 -10.906 -10.261 6.436 1.00 0.00 O ATOM 1445 CB ASP A 123 -13.074 -9.639 7.938 1.00 0.00 C ATOM 1446 CG ASP A 123 -14.332 -9.469 8.763 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -14.332 -8.639 9.694 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -15.333 -10.163 8.477 1.00 0.00 O ATOM 0 H ASP A 123 -10.729 -10.325 9.619 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.944 -11.747 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.442 -8.761 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.344 -9.683 6.883 1.00 0.00 H new ATOM 1453 N SER A 124 -10.726 -12.377 7.163 1.00 0.00 N ATOM 1454 CA SER A 124 -9.730 -12.758 6.163 1.00 0.00 C ATOM 1455 C SER A 124 -10.258 -12.563 4.733 1.00 0.00 C ATOM 1456 O SER A 124 -9.478 -12.472 3.782 1.00 0.00 O ATOM 1457 CB SER A 124 -9.310 -14.211 6.382 1.00 0.00 C ATOM 1458 OG SER A 124 -8.882 -14.408 7.720 1.00 0.00 O ATOM 0 H SER A 124 -10.990 -13.129 7.799 1.00 0.00 H new ATOM 0 HA SER A 124 -8.864 -12.107 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.146 -14.875 6.160 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.505 -14.471 5.694 1.00 0.00 H new ATOM 0 HG SER A 124 -8.618 -15.344 7.845 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.578 -12.496 4.584 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.196 -12.230 3.291 1.00 0.00 C ATOM 1466 C ALA A 125 -11.801 -10.850 2.774 1.00 0.00 C ATOM 1467 O ALA A 125 -11.523 -10.674 1.587 1.00 0.00 O ATOM 1468 CB ALA A 125 -13.708 -12.337 3.396 1.00 0.00 C ATOM 0 H ALA A 125 -12.242 -12.623 5.348 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.838 -12.977 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.155 -12.136 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -13.980 -13.342 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.075 -11.610 4.121 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.759 -9.878 3.676 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.388 -8.522 3.315 1.00 0.00 C ATOM 1476 C LEU A 126 -9.923 -8.469 2.909 1.00 0.00 C ATOM 1477 O LEU A 126 -9.538 -7.691 2.039 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.648 -7.562 4.479 1.00 0.00 C ATOM 1479 CG LEU A 126 -13.112 -7.436 4.917 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -13.238 -6.470 6.084 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.988 -6.983 3.760 1.00 0.00 C ATOM 0 H LEU A 126 -11.978 -10.007 4.664 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.001 -8.211 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.058 -7.889 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.284 -6.573 4.200 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.454 -8.420 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.284 -6.393 6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.648 -6.836 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.873 -5.488 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -15.022 -6.901 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.645 -6.012 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.926 -7.710 2.950 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.113 -9.316 3.534 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.700 -9.409 3.195 1.00 0.00 C ATOM 1495 C GLN A 127 -7.540 -9.830 1.746 1.00 0.00 C ATOM 1496 O GLN A 127 -6.806 -9.204 0.987 1.00 0.00 O ATOM 1497 CB GLN A 127 -6.984 -10.414 4.098 1.00 0.00 C ATOM 1498 CG GLN A 127 -5.528 -10.637 3.715 1.00 0.00 C ATOM 1499 CD GLN A 127 -4.837 -11.676 4.578 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -3.635 -11.591 4.825 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -5.587 -12.671 5.033 1.00 0.00 N ATOM 0 H GLN A 127 -9.411 -9.947 4.278 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.252 -8.426 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.032 -10.064 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -7.512 -11.367 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.477 -10.948 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -4.989 -9.693 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -6.581 -12.706 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -5.170 -13.401 5.610 1.00 0.00 H new ATOM 1510 N GLN A 128 -8.267 -10.872 1.374 1.00 0.00 N ATOM 1511 CA GLN A 128 -8.182 -11.448 0.040 1.00 0.00 C ATOM 1512 C GLN A 128 -8.603 -10.443 -1.024 1.00 0.00 C ATOM 1513 O GLN A 128 -8.071 -10.436 -2.134 1.00 0.00 O ATOM 1514 CB GLN A 128 -9.050 -12.701 -0.026 1.00 0.00 C ATOM 1515 CG GLN A 128 -8.544 -13.820 0.870 1.00 0.00 C ATOM 1516 CD GLN A 128 -9.548 -14.942 1.032 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -9.563 -15.899 0.257 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -10.385 -14.837 2.048 1.00 0.00 N ATOM 0 H GLN A 128 -8.932 -11.342 1.988 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.145 -11.717 -0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -10.070 -12.446 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -9.088 -13.056 -1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.620 -14.222 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.301 -13.412 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -10.338 -14.027 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -11.079 -15.566 2.215 1.00 0.00 H new ATOM 1527 N ALA A 129 -9.556 -9.588 -0.679 1.00 0.00 N ATOM 1528 CA ALA A 129 -9.983 -8.531 -1.581 1.00 0.00 C ATOM 1529 C ALA A 129 -8.936 -7.428 -1.642 1.00 0.00 C ATOM 1530 O ALA A 129 -8.625 -6.907 -2.714 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.325 -7.967 -1.140 1.00 0.00 C ATOM 0 H ALA A 129 -10.046 -9.606 0.216 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.097 -8.954 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.631 -7.177 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.072 -8.760 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.235 -7.559 -0.133 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.391 -7.085 -0.482 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.390 -6.031 -0.377 1.00 0.00 C ATOM 1539 C CYS A 130 -6.114 -6.411 -1.116 1.00 0.00 C ATOM 1540 O CYS A 130 -5.641 -5.665 -1.968 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.080 -5.752 1.094 1.00 0.00 C ATOM 1542 SG CYS A 130 -5.823 -4.463 1.367 1.00 0.00 S ATOM 0 H CYS A 130 -8.628 -7.526 0.407 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.794 -5.130 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.001 -5.457 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -6.743 -6.676 1.563 1.00 0.00 H new ATOM 1547 N GLU A 131 -5.588 -7.590 -0.804 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.349 -8.073 -1.405 1.00 0.00 C ATOM 1549 C GLU A 131 -4.488 -8.230 -2.914 1.00 0.00 C ATOM 1550 O GLU A 131 -3.497 -8.242 -3.632 1.00 0.00 O ATOM 1551 CB GLU A 131 -3.916 -9.397 -0.775 1.00 0.00 C ATOM 1552 CG GLU A 131 -4.886 -10.536 -1.028 1.00 0.00 C ATOM 1553 CD GLU A 131 -4.410 -11.843 -0.442 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -3.748 -12.615 -1.167 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -4.685 -12.104 0.746 1.00 0.00 O ATOM 0 H GLU A 131 -6.004 -8.235 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.580 -7.326 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -2.936 -9.672 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.804 -9.259 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.857 -10.283 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.030 -10.654 -2.102 1.00 0.00 H new ATOM 1562 N ASP A 132 -5.714 -8.408 -3.384 1.00 0.00 N ATOM 1563 CA ASP A 132 -5.968 -8.549 -4.811 1.00 0.00 C ATOM 1564 C ASP A 132 -5.599 -7.263 -5.556 1.00 0.00 C ATOM 1565 O ASP A 132 -4.854 -7.292 -6.537 1.00 0.00 O ATOM 1566 CB ASP A 132 -7.441 -8.897 -5.051 1.00 0.00 C ATOM 1567 CG ASP A 132 -7.738 -9.242 -6.496 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -7.882 -8.318 -7.322 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -7.863 -10.442 -6.814 1.00 0.00 O ATOM 0 H ASP A 132 -6.548 -8.458 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 132 -5.346 -9.358 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -7.718 -9.740 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.062 -8.054 -4.749 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.114 -6.133 -5.078 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.841 -4.838 -5.701 1.00 0.00 C ATOM 1576 C VAL A 133 -4.513 -4.257 -5.212 1.00 0.00 C ATOM 1577 O VAL A 133 -3.667 -3.835 -6.002 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.972 -3.828 -5.413 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.630 -2.455 -5.965 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.283 -4.319 -6.000 1.00 0.00 C ATOM 0 H VAL A 133 -6.723 -6.087 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.782 -5.010 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 133 -7.081 -3.743 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.444 -1.763 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.713 -2.094 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.488 -2.522 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.070 -3.595 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.178 -4.435 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.544 -5.279 -5.555 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.343 -4.266 -3.898 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.167 -3.716 -3.232 1.00 0.00 C ATOM 1592 C PHE A 134 -2.015 -4.708 -3.259 1.00 0.00 C ATOM 1593 O PHE A 134 -1.139 -4.678 -2.404 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.492 -3.295 -1.794 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.418 -2.109 -1.719 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.791 -2.283 -1.630 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -3.910 -0.819 -1.747 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -6.640 -1.194 -1.572 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -4.755 0.276 -1.687 1.00 0.00 C ATOM 1600 CZ PHE A 134 -6.121 0.088 -1.601 1.00 0.00 C ATOM 0 H PHE A 134 -5.027 -4.661 -3.253 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.860 -2.825 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.946 -4.136 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.564 -3.057 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.202 -3.282 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -2.843 -0.667 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -7.707 -1.344 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.347 1.276 -1.707 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.783 0.940 -1.556 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.058 -5.600 -4.234 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.152 -6.739 -4.314 1.00 0.00 C ATOM 1612 C ARG A 135 0.315 -6.334 -4.187 1.00 0.00 C ATOM 1613 O ARG A 135 0.737 -5.270 -4.641 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.365 -7.469 -5.644 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.260 -6.563 -6.859 1.00 0.00 C ATOM 1616 CD ARG A 135 -1.233 -7.359 -8.151 1.00 0.00 C ATOM 1617 NE ARG A 135 -0.049 -8.209 -8.238 1.00 0.00 N ATOM 1618 CZ ARG A 135 0.906 -8.075 -9.157 1.00 0.00 C ATOM 1619 NH1 ARG A 135 0.840 -7.105 -10.066 1.00 0.00 N ATOM 1620 NH2 ARG A 135 1.936 -8.907 -9.154 1.00 0.00 N ATOM 0 H ARG A 135 -2.729 -5.556 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.382 -7.395 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.629 -8.268 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.348 -7.941 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -2.104 -5.874 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.356 -5.958 -6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -2.129 -7.976 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -1.253 -6.676 -9.000 1.00 0.00 H new ATOM 0 HE ARG A 135 0.054 -8.955 -7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 135 0.053 -6.456 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 135 1.576 -7.011 -10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 135 1.994 -9.644 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 135 2.671 -8.811 -9.854 1.00 0.00 H new